#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 s LYS 2 N 0.00 1.34 0.40 1.61 -2.85 -1.26 -5.01 119.74 113.97 1ie5 s LYS 2 Ca 0.00 -0.61 -0.23 0.00 -1.00 0.00 0.00 55.97 54.13 1ie5 s LYS 2 Cb 0.00 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1ie5 s LYS 2 CO 0.00 -0.59 0.99 0.16 0.10 0.00 0.00 175.35 176.02 1ie5 s ASP 3 N -2.79 6.89 0.00 0.03 -4.77 -1.25 -4.83 116.67 109.94 1ie5 s ASP 3 Ca 0.04 1.87 0.00 0.00 -3.30 0.00 0.00 52.55 51.16 1ie5 s ASP 3 Cb -0.01 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1ie5 s ASP 3 CO -0.09 -0.40 0.00 -0.38 0.70 0.00 0.00 175.17 175.01 1ie5 n ILE 4 N -0.23 0.00 -1.84 2.11 2.08 -1.26 -5.02 119.36 115.21 1ie5 n ILE 4 Ca 0.06 0.05 -0.03 0.00 0.56 0.00 0.00 62.75 63.39 1ie5 n ILE 4 Cb 0.51 -0.83 -0.03 0.00 -0.75 0.00 0.00 39.64 38.55 1ie5 n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ie5 n GLN 5 N -1.64 0.00 -3.54 0.38 10.64 -1.26 -5.13 117.38 116.83 1ie5 n GLN 5 Ca 0.00 -0.44 -0.12 0.00 -1.83 0.00 0.00 57.00 54.61 1ie5 n GLN 5 Cb 0.00 0.29 -0.04 0.00 -0.86 0.00 0.00 30.24 29.63 1ie5 n GLN 5 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1ie5 s VAL 6 N 0.00 0.03 -0.40 -0.39 1.01 -1.26 -5.11 120.40 114.29 1ie5 s VAL 6 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1ie5 s VAL 6 Cb 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 1ie5 s VAL 6 CO 0.00 -0.16 2.35 -0.38 0.00 0.00 0.00 175.10 176.91 1ie5 n ILE 7 N -0.17 0.07 -3.36 2.22 5.41 -1.26 -4.88 119.36 117.40 1ie5 n ILE 7 Ca -0.17 -0.66 -0.14 0.00 1.00 0.00 0.00 62.75 62.79 1ie5 n ILE 7 Cb 0.64 -2.65 -0.08 0.00 -0.71 0.00 0.00 39.64 36.83 1ie5 n ILE 7 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ie5 s VAL 8 N 10.69 -0.49 0.63 1.39 1.01 -1.26 -5.07 120.40 127.30 1ie5 s VAL 8 Ca 1.00 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1ie5 s VAL 8 Cb -0.27 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1ie5 s VAL 8 CO 0.30 -0.40 1.05 0.54 0.00 0.00 0.00 175.10 176.59 1ie5 s ASN 9 N 2.43 5.72 -0.12 3.32 2.20 -1.26 -3.89 114.94 123.33 1ie5 s ASN 9 Ca 0.09 1.69 -0.07 0.00 -0.94 0.00 0.00 52.86 53.63 1ie5 s ASN 9 Cb -0.13 -2.51 0.05 0.00 -2.00 0.00 0.00 41.25 36.65 1ie5 s ASN 9 CO -0.32 -1.21 0.29 -0.69 -2.94 0.00 0.00 177.10 172.23 1ie5 s VAL 10 N -2.75 -0.03 1.01 3.54 1.01 -0.07 -4.70 120.40 118.40 1ie5 s VAL 10 Ca 0.60 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 1ie5 s VAL 10 Cb -0.14 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 35.92 1ie5 s VAL 10 CO 0.45 0.05 0.64 -2.65 0.00 0.00 0.00 175.10 173.58 1ie5 n PRO 11 N 4.02 -0.91 -2.62 2.72 -0.02 -1.26 -1.36 135.00 135.57 1ie5 n PRO 11 Ca -0.23 -0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.60 1ie5 n PRO 11 Cb 0.54 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1ie5 n PRO 11 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ie5 n PRO 12 N -2.99 3.92 -1.34 0.52 -0.04 -1.26 -4.00 135.00 129.81 1ie5 n PRO 12 Ca 0.07 -3.92 -0.38 0.00 -0.04 0.00 0.00 63.50 59.23 1ie5 n PRO 12 Cb 0.55 -2.78 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 1ie5 n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ie5 n SER 13 N 3.01 6.35 -4.75 3.54 7.64 -0.79 -3.83 113.62 124.78 1ie5 n SER 13 Ca 0.34 -2.62 -0.41 0.00 1.01 0.00 0.00 58.87 57.19 1ie5 n SER 13 Cb 0.35 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.04 1ie5 n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ie5 s VAL 14 N 2.86 2.73 0.37 0.44 0.11 -1.26 -4.42 120.40 121.22 1ie5 s VAL 14 Ca 0.58 0.66 0.04 0.00 -2.93 0.00 0.00 61.98 60.33 1ie5 s VAL 14 Cb 0.15 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1ie5 s VAL 14 CO -0.05 0.13 0.16 -0.13 -3.33 0.00 0.00 175.10 171.88 1ie5 s ARG 15 N -0.96 1.81 -0.22 1.54 0.52 -1.09 -4.07 118.95 116.48 1ie5 s ARG 15 Ca 0.55 -2.08 -0.16 0.00 -0.52 0.00 0.00 55.73 53.52 1ie5 s ARG 15 Cb -0.41 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 1ie5 s ARG 15 CO 0.47 -0.50 0.42 0.00 0.02 0.00 0.00 175.30 175.71 1ie5 s ALA 16 N -3.35 3.56 0.16 2.13 0.00 -1.26 -0.99 121.76 122.01 1ie5 s ALA 16 Ca 0.30 -0.59 0.12 0.00 0.00 0.00 0.00 51.96 51.78 1ie5 s ALA 16 Cb 0.03 -2.70 0.24 0.00 0.00 0.00 0.00 23.12 20.69 1ie5 s ALA 16 CO 0.18 -0.45 1.53 -0.09 0.00 0.00 0.00 175.76 176.93 1ie5 h ARG 17 N 7.64 0.00 -3.00 0.00 2.43 -1.67 -3.45 114.38 116.33 1ie5 h ARG 17 Ca -0.34 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.68 1ie5 h ARG 17 Cb 1.16 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.46 1ie5 h ARG 17 CO 0.70 0.66 -0.37 -0.65 -1.51 0.00 0.00 179.97 178.80 1ie5 s GLN 18 N -3.29 0.35 0.07 0.20 -1.52 -1.26 -5.04 119.66 109.17 1ie5 s GLN 18 Ca 0.00 0.43 0.14 0.00 -1.95 0.00 0.00 55.36 53.98 1ie5 s GLN 18 Cb 0.11 0.16 -0.15 0.00 -0.22 0.00 0.00 33.01 32.91 1ie5 s GLN 18 CO 0.76 -0.05 0.93 0.66 -0.25 0.00 0.00 175.29 177.34 1ie5 h SER 19 N 5.76 0.00 -3.34 5.90 4.64 -1.85 -3.44 113.55 121.21 1ie5 h SER 19 Ca -0.27 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.73 1ie5 h SER 19 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.91 1ie5 h SER 19 CO 0.32 0.75 -0.70 -0.89 -0.87 0.00 0.00 176.83 175.44 1ie5 s THR 20 N -2.80 -0.12 0.31 2.95 2.01 -1.26 -1.58 115.64 115.15 1ie5 s THR 20 Ca -0.02 0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1ie5 s THR 20 Cb 0.08 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1ie5 s THR 20 CO 0.81 0.14 0.22 -0.04 -0.69 0.00 0.00 174.62 175.05 1ie5 s MET 21 N 1.78 2.66 0.09 4.92 1.00 0.39 -4.97 119.30 125.18 1ie5 s MET 21 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 55.69 54.22 1ie5 s MET 21 Cb -0.12 -2.41 0.03 0.00 0.00 0.00 0.00 34.83 32.33 1ie5 s MET 21 CO -0.04 0.19 0.38 0.54 0.00 0.00 0.00 175.02 176.09 1ie5 s ASN 22 N -3.90 -0.21 0.03 3.03 2.20 -1.26 -1.60 114.94 113.23 1ie5 s ASN 22 Ca 0.38 -0.25 -0.27 0.00 -0.94 0.00 0.00 52.86 51.77 1ie5 s ASN 22 Cb -0.06 0.44 0.09 0.00 -2.00 0.00 0.00 41.25 39.73 1ie5 s ASN 22 CO 0.25 -0.77 0.84 0.00 -2.94 0.00 0.00 177.10 174.47 1ie5 s ALA 23 N -3.34 -1.77 -0.28 3.54 0.00 -1.19 -4.99 121.76 113.73 1ie5 s ALA 23 Ca 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 1ie5 s ALA 23 Cb 0.01 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1ie5 s ALA 23 CO -0.09 -0.72 0.09 0.99 0.00 0.00 0.00 175.76 176.03 1ie5 s THR 24 N -3.25 4.25 0.67 0.00 2.01 -1.26 -1.49 115.64 116.57 1ie5 s THR 24 Ca 0.05 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1ie5 s THR 24 Cb -0.01 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1ie5 s THR 24 CO -0.09 0.21 1.07 0.00 -0.69 0.00 0.00 174.62 175.11 1ie5 s ALA 25 N 1.58 2.96 0.00 7.40 0.00 0.06 -4.02 121.76 129.74 1ie5 s ALA 25 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1ie5 s ALA 25 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1ie5 s ALA 25 CO 0.04 -0.96 0.00 0.09 0.00 0.00 0.00 175.76 174.92 1ie5 n ASN 26 N -2.91 0.00 -0.62 0.00 3.02 -1.26 -4.26 115.26 109.22 1ie5 n ASN 26 Ca 0.07 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1ie5 n ASN 26 Cb 0.56 -0.67 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ie5 n LEU 27 N 0.00 2.28 -3.70 3.41 4.77 -1.26 -5.02 117.00 117.48 1ie5 n LEU 27 Ca 0.00 -0.84 -0.26 0.00 -0.03 0.00 0.00 56.01 54.88 1ie5 n LEU 27 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1ie5 n LEU 27 CO 0.00 0.41 0.18 -1.20 -1.33 0.00 0.00 177.39 175.45 1ie5 n SER 28 N 0.41 -5.45 -4.72 -1.43 7.64 -1.25 -4.95 113.62 103.87 1ie5 n SER 28 Ca 0.10 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 59.02 1ie5 n SER 28 Cb 0.49 -4.61 0.10 0.00 -1.01 0.00 0.00 64.21 59.18 1ie5 n SER 28 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ie5 s GLN 29 N -6.36 1.98 -0.18 1.43 -0.21 -1.26 -3.94 119.66 111.13 1ie5 s GLN 29 Ca 0.56 1.60 -0.04 0.00 0.02 0.00 0.00 55.36 57.50 1ie5 s GLN 29 Cb -0.26 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 1ie5 s GLN 29 CO 0.77 -1.92 -0.03 -1.12 -2.12 0.00 0.00 175.29 170.87 1ie5 s SER 30 N -2.41 4.72 -0.00 5.90 0.01 -1.26 -0.70 113.70 119.96 1ie5 s SER 30 Ca 0.70 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1ie5 s SER 30 Cb -0.25 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1ie5 s SER 30 CO 0.49 0.11 -0.02 -0.69 0.41 0.00 0.00 173.24 173.54 1ie5 s VAL 31 N 0.74 0.15 -0.08 3.43 1.01 0.09 -5.00 120.40 120.74 1ie5 s VAL 31 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1ie5 s VAL 31 Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1ie5 s VAL 31 CO 0.02 0.05 0.05 -0.89 0.00 0.00 0.00 175.10 174.33 1ie5 s THR 32 N 0.09 4.67 0.17 3.92 2.01 -1.26 -0.57 115.64 124.67 1ie5 s THR 32 Ca -0.01 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1ie5 s THR 32 Cb -0.02 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ie5 s THR 32 CO -0.00 0.56 0.32 -1.48 -0.69 0.00 0.00 174.62 173.32 1ie5 s LEU 33 N -1.09 0.83 -0.18 4.42 0.05 -0.53 -5.01 118.68 117.16 1ie5 s LEU 33 Ca 0.16 -0.80 -0.28 0.00 0.05 0.00 0.00 54.13 53.25 1ie5 s LEU 33 Cb -0.12 1.34 0.10 0.00 -2.05 0.00 0.00 46.19 45.47 1ie5 s LEU 33 CO 0.05 -0.92 0.86 0.00 -0.55 0.00 0.00 176.35 175.80 1ie5 s ALA 34 N -3.95 -1.87 -0.48 1.48 0.00 -1.26 -0.93 121.76 114.76 1ie5 s ALA 34 Ca 0.16 1.68 -0.11 0.00 0.00 0.00 0.00 51.96 53.69 1ie5 s ALA 34 Cb 0.03 -0.81 0.11 0.00 0.00 0.00 0.00 23.12 22.45 1ie5 s ALA 34 CO -0.01 -0.31 0.37 0.00 0.00 0.00 0.00 175.76 175.81 1ie5 s ASP 36 N 2.76 5.18 0.23 0.00 -4.77 -0.16 -4.43 116.67 115.48 1ie5 s ASP 36 Ca 0.04 -1.40 -0.15 0.00 -3.30 0.00 0.00 52.55 47.74 1ie5 s ASP 36 Cb -0.26 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 38.91 1ie5 s ASP 36 CO 0.01 -2.86 0.65 0.00 0.70 0.00 0.00 175.17 173.68 1ie5 s ALA 37 N 10.29 3.45 0.03 2.11 0.00 -1.26 -2.66 121.76 133.73 1ie5 s ALA 37 Ca 0.68 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 1ie5 s ALA 37 Cb -0.02 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.49 1ie5 s ALA 37 CO 0.08 0.39 0.61 0.34 0.00 0.00 0.00 175.76 177.19 1ie5 s ASP 38 N -1.95 -0.57 0.00 0.00 2.15 -1.26 -4.77 116.67 110.26 1ie5 s ASP 38 Ca 0.45 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1ie5 s ASP 38 Cb -0.14 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1ie5 s ASP 38 CO 0.20 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 1ie5 n GLY 39 N 0.44 -1.80 3.49 2.66 0.00 -1.26 -1.88 105.19 106.85 1ie5 n GLY 39 Ca -0.18 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1ie5 n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ie5 s PHE 40 N -2.05 -0.85 0.83 1.61 2.19 -0.47 -4.31 117.98 114.94 1ie5 s PHE 40 Ca 0.00 1.76 -0.12 0.00 0.33 0.00 0.00 56.93 58.91 1ie5 s PHE 40 Cb 0.00 0.45 0.10 0.00 -1.31 0.00 0.00 43.02 42.26 1ie5 s PHE 40 CO 0.00 -0.44 1.16 -2.14 1.83 0.00 0.00 175.22 175.63 1ie5 s PRO 41 N 1.39 1.57 -0.22 10.12 0.02 -1.26 -0.89 135.00 145.73 1ie5 s PRO 41 Ca -0.09 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.37 1ie5 s PRO 41 Cb -0.06 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1ie5 s PRO 41 CO -0.15 -2.22 0.79 -0.85 -0.33 0.00 0.00 177.00 174.24 1ie5 n GLU 42 N -3.62 0.00 -1.28 5.54 0.28 -1.26 -4.86 120.64 115.44 1ie5 n GLU 42 Ca 0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.78 1ie5 n GLU 42 Cb 0.52 -0.51 0.11 0.00 1.43 0.00 0.00 31.44 32.98 1ie5 n GLU 42 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1ie5 s PRO 43 N 2.35 1.90 -0.13 3.44 0.02 -1.26 -5.00 135.00 136.33 1ie5 s PRO 43 Ca 0.43 1.76 -0.09 0.00 0.02 0.00 0.00 61.00 63.11 1ie5 s PRO 43 Cb -0.49 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1ie5 s PRO 43 CO 0.21 -2.01 0.19 0.99 -0.33 0.00 0.00 177.00 176.04 1ie5 s THR 44 N -2.06 5.41 0.06 0.99 2.01 -0.06 -4.96 115.64 117.02 1ie5 s THR 44 Ca 0.74 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.79 1ie5 s THR 44 Cb -0.29 -3.48 0.07 0.00 0.01 0.00 0.00 72.50 68.81 1ie5 s THR 44 CO 0.48 0.55 0.63 0.00 -0.69 0.00 0.00 174.62 175.59 1ie5 s MET 45 N -0.55 1.17 0.29 4.92 0.23 -1.26 -0.55 119.30 123.55 1ie5 s MET 45 Ca 0.15 -0.12 -0.09 0.00 -1.03 0.00 0.00 55.69 54.59 1ie5 s MET 45 Cb -0.12 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1ie5 s MET 45 CO 0.04 -0.44 0.50 0.95 -2.03 0.00 0.00 175.02 174.03 1ie5 s THR 46 N -2.50 0.00 0.32 3.16 -4.23 -0.76 -4.96 115.64 106.68 1ie5 s THR 46 Ca -0.05 -1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1ie5 s THR 46 Cb -0.01 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1ie5 s THR 46 CO -0.02 0.00 0.65 -1.66 -0.54 0.00 0.00 174.62 173.05 1ie5 s TRP 47 N -3.55 0.29 0.11 3.99 1.48 -1.26 -1.29 118.94 118.72 1ie5 s TRP 47 Ca 0.25 -0.76 0.08 0.00 -1.06 0.00 0.00 56.10 54.61 1ie5 s TRP 47 Cb -0.01 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.75 1ie5 s TRP 47 CO 0.13 -1.29 -0.21 0.95 -4.06 0.00 0.00 176.95 172.47 1ie5 s THR 48 N -3.19 1.76 -0.74 0.66 -4.23 -1.18 -0.20 115.64 108.52 1ie5 s THR 48 Ca 0.19 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1ie5 s THR 48 Cb -0.03 -1.63 0.36 0.00 1.34 0.00 0.00 72.50 72.54 1ie5 s THR 48 CO 0.12 -0.09 1.64 1.17 -0.54 0.00 0.00 174.62 176.92 1ie5 n LYS 49 N 0.95 3.43 0.00 3.99 3.00 0.07 -3.99 118.16 125.61 1ie5 n LYS 49 Ca -0.18 -4.11 0.00 0.00 -0.00 0.00 0.00 58.31 54.02 1ie5 n LYS 49 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.28 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ie5 n ASP 50 N -0.42 0.00 -0.07 3.14 2.03 -0.69 -4.15 116.55 116.39 1ie5 n ASP 50 Ca 0.47 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1ie5 n ASP 50 Cb 0.37 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1ie5 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ie5 n GLY 51 N -1.71 0.18 3.47 0.27 0.00 -1.26 -4.92 105.19 101.22 1ie5 n GLY 51 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ie5 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ie5 s GLU 52 N 0.00 1.17 0.05 1.61 -1.05 -1.26 -5.17 118.70 114.05 1ie5 s GLU 52 Ca 0.00 -0.11 -0.27 0.00 -0.15 0.00 0.00 54.97 54.44 1ie5 s GLU 52 Cb 0.00 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.18 1ie5 s GLU 52 CO 0.00 -0.44 0.86 -1.25 0.95 0.00 0.00 175.26 175.37 1ie5 s PRO 53 N -2.48 4.57 -1.32 -4.83 0.04 -1.26 -0.75 135.00 128.97 1ie5 s PRO 53 Ca -0.05 1.23 -0.08 0.00 0.04 0.00 0.00 61.00 62.14 1ie5 s PRO 53 Cb -0.01 -3.39 0.13 0.00 0.04 0.00 0.00 34.50 31.28 1ie5 s PRO 53 CO -0.02 0.20 2.13 -0.89 0.04 0.00 0.00 177.00 178.46 1ie5 n ILE 54 N 3.03 4.63 -0.74 0.56 5.41 0.73 -4.89 119.36 128.08 1ie5 n ILE 54 Ca 0.00 -4.21 -0.24 0.00 1.00 0.00 0.00 62.75 59.30 1ie5 n ILE 54 Cb 0.50 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.12 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1ie5 n GLU 55 N 3.18 1.72 -0.39 0.38 0.28 -1.26 -4.02 120.64 120.53 1ie5 n GLU 55 Ca 0.50 -1.43 0.37 0.00 -0.16 0.00 0.00 57.16 56.45 1ie5 n GLU 55 Cb 0.31 -2.50 0.60 0.00 1.43 0.00 0.00 31.44 31.28 1ie5 n GLU 55 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1ie5 h GLN 56 N 6.86 0.00 0.00 3.44 3.07 -1.90 0.13 115.11 126.71 1ie5 h GLN 56 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1ie5 h GLN 56 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1ie5 h GLN 56 CO 1.52 0.00 -0.17 0.93 0.09 0.00 0.00 178.83 181.19 1ie5 h GLU 57 N 0.00 0.00 0.00 0.06 5.08 -1.96 -3.39 114.58 114.37 1ie5 h GLU 57 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1ie5 h GLU 57 Cb 3.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.41 1ie5 h GLU 57 CO -0.01 0.00 -0.63 -3.47 -1.00 0.00 0.00 179.01 173.90 1ie5 n ASP 58 N -2.55 3.15 -4.90 1.42 2.03 0.14 -5.07 116.55 110.76 1ie5 n ASP 58 Ca 0.04 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 1ie5 n ASP 58 Cb 0.47 0.39 0.01 0.00 -0.72 0.00 0.00 41.12 41.27 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ie5 s ASN 59 N -2.03 6.06 0.00 1.67 2.20 0.22 -5.01 114.94 118.04 1ie5 s ASN 59 Ca 0.00 1.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.97 1ie5 s ASN 59 Cb 0.00 -2.18 0.00 0.00 -2.00 0.00 0.00 41.25 37.07 1ie5 s ASN 59 CO 0.00 -0.82 0.00 1.21 -2.94 0.00 0.00 177.10 174.55 1ie5 n GLU 60 N -2.53 0.00 0.27 3.55 2.13 -1.26 -4.77 120.64 118.02 1ie5 n GLU 60 Ca 0.03 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.96 1ie5 n GLU 60 Cb 0.55 0.00 0.72 0.00 0.27 0.00 0.00 31.44 32.99 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ie5 h GLU 61 N 0.00 0.00 0.00 5.31 5.08 -2.01 -3.32 114.58 119.63 1ie5 h GLU 61 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1ie5 h GLU 61 Cb 0.50 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.61 1ie5 h GLU 61 CO 0.00 0.03 -0.26 0.36 -1.00 0.00 0.00 179.01 178.15 1ie5 n LYS 62 N -4.21 1.07 -3.56 2.33 2.85 -1.26 -5.09 118.16 110.28 1ie5 n LYS 62 Ca -0.03 -1.51 -0.06 0.00 -1.05 0.00 0.00 58.31 55.66 1ie5 n LYS 62 Cb 0.12 0.05 -0.02 0.00 -0.65 0.00 0.00 35.03 34.53 1ie5 n LYS 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1ie5 s TYR 63 N 0.16 -0.25 0.02 5.58 -0.85 -1.25 -1.35 117.35 119.41 1ie5 s TYR 63 Ca 0.17 0.12 -0.28 0.00 -0.52 0.00 0.00 57.07 56.55 1ie5 s TYR 63 Cb 0.35 0.54 0.10 0.00 0.38 0.00 0.00 41.96 43.33 1ie5 s TYR 63 CO -0.09 -0.46 0.88 -1.12 -1.52 0.00 0.00 175.55 173.24 1ie5 s SER 64 N -2.47 -0.36 0.31 -0.18 0.01 -0.89 -4.63 113.70 105.48 1ie5 s SER 64 Ca 0.07 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.33 1ie5 s SER 64 Cb -0.01 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 1ie5 s SER 64 CO -0.06 -0.66 0.31 0.72 0.41 0.00 0.00 173.24 173.95 1ie5 s PHE 65 N -3.17 1.42 0.78 2.43 -0.71 -1.26 -0.53 117.98 116.94 1ie5 s PHE 65 Ca 0.05 -1.49 -0.05 0.00 -1.04 0.00 0.00 56.93 54.41 1ie5 s PHE 65 Cb -0.01 -0.50 0.16 0.00 -1.21 0.00 0.00 43.02 41.46 1ie5 s PHE 65 CO -0.08 -0.90 1.06 0.27 -1.34 0.00 0.00 175.22 174.23 1ie5 n ASN 66 N -1.23 0.98 0.04 1.98 6.94 -0.81 -5.01 115.26 118.16 1ie5 n ASN 66 Ca 0.05 -1.93 0.13 0.00 -0.02 0.00 0.00 54.58 52.80 1ie5 n ASN 66 Cb 0.63 -0.73 0.41 0.00 -2.36 0.00 0.00 39.78 37.73 1ie5 n ASN 66 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ie5 n TYR 67 N -3.09 0.37 0.65 -2.53 4.01 -1.26 -3.18 117.16 112.14 1ie5 n TYR 67 Ca 0.16 0.11 0.12 0.00 -0.16 0.00 0.00 57.90 58.13 1ie5 n TYR 67 Cb 0.57 -0.61 0.25 0.00 -0.31 0.00 0.00 39.34 39.24 1ie5 n TYR 67 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ie5 n ASP 68 N -1.83 0.66 0.00 7.72 8.00 -1.26 -4.97 116.55 124.88 1ie5 n ASP 68 Ca 0.06 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1ie5 n ASP 68 Cb 0.38 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1ie5 n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie5 n GLY 69 N 1.36 0.58 0.26 0.44 0.00 -1.19 -4.75 105.19 101.88 1ie5 n GLY 69 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1ie5 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ie5 n SER 70 N 0.00 1.75 -4.53 1.61 3.41 -1.26 -4.92 113.62 109.69 1ie5 n SER 70 Ca 0.00 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1ie5 n SER 70 Cb 0.00 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.29 1ie5 n SER 70 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ie5 s GLU 71 N -2.42 3.36 -0.20 4.33 2.02 -1.26 -2.63 118.70 121.90 1ie5 s GLU 71 Ca -0.31 -0.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.34 1ie5 s GLU 71 Cb 0.11 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 1ie5 s GLU 71 CO 0.42 -1.25 0.25 -1.17 0.02 0.00 0.00 175.26 173.53 1ie5 s LEU 72 N 3.47 4.18 -0.22 1.80 2.96 -0.11 -1.91 118.68 128.85 1ie5 s LEU 72 Ca 0.29 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1ie5 s LEU 72 Cb -0.13 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1ie5 s LEU 72 CO 0.21 0.06 0.04 -0.63 -1.32 0.00 0.00 176.35 174.71 1ie5 s ILE 73 N 0.82 4.28 -0.21 6.68 1.01 0.31 -1.45 121.20 132.64 1ie5 s ILE 73 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 1ie5 s ILE 73 Cb -0.13 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1ie5 s ILE 73 CO 0.04 0.40 -0.01 -0.63 0.00 0.00 0.00 174.94 174.74 1ie5 s ILE 74 N 1.11 3.76 0.40 2.92 1.01 0.27 -2.09 121.20 128.59 1ie5 s ILE 74 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1ie5 s ILE 74 Cb -0.14 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1ie5 s ILE 74 CO 0.03 0.42 0.62 -1.59 0.00 0.00 0.00 174.94 174.41 1ie5 s LYS 75 N 1.21 3.32 -1.55 2.79 -2.85 -0.46 -0.73 119.74 121.46 1ie5 s LYS 75 Ca 0.03 -0.36 -0.04 0.00 -1.00 0.00 0.00 55.97 54.60 1ie5 s LYS 75 Cb -0.15 -2.60 0.04 0.00 -2.06 0.00 0.00 37.83 33.07 1ie5 s LYS 75 CO 0.01 -0.05 0.26 0.36 0.10 0.00 0.00 175.35 176.03 1ie5 n LYS 76 N -1.94 -1.87 -1.66 1.78 2.85 -0.77 -4.85 118.16 111.71 1ie5 n LYS 76 Ca -0.02 0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 57.03 1ie5 n LYS 76 Cb 0.57 -4.14 -0.01 0.00 -0.65 0.00 0.00 35.03 30.80 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ie5 n VAL 77 N -4.46 2.05 -3.81 0.58 0.31 0.13 -4.78 118.33 108.35 1ie5 n VAL 77 Ca -0.24 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.50 1ie5 n VAL 77 Cb 0.65 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 1ie5 n VAL 77 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ie5 n ASP 78 N 0.88 -0.90 0.04 4.52 2.03 -1.26 -3.97 116.55 117.89 1ie5 n ASP 78 Ca 0.07 -2.12 0.06 0.00 0.52 0.00 0.00 54.79 53.32 1ie5 n ASP 78 Cb 0.35 1.65 0.28 0.00 -0.72 0.00 0.00 41.12 42.68 1ie5 n ASP 78 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ie5 n LYS 79 N -0.35 0.05 0.00 -0.67 5.02 -1.26 -1.10 118.16 119.86 1ie5 n LYS 79 Ca -0.00 0.41 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 1ie5 n LYS 79 Cb 0.36 -1.63 0.35 0.00 -0.02 0.00 0.00 35.03 34.09 1ie5 n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ie5 n SER 80 N -1.73 0.00 -0.30 4.39 3.41 -1.26 -2.85 113.62 115.28 1ie5 n SER 80 Ca 0.01 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 1ie5 n SER 80 Cb 0.11 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1ie5 n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ie5 n ASP 81 N -1.47 1.47 -4.67 4.04 8.00 -0.26 -4.94 116.55 118.72 1ie5 n ASP 81 Ca 0.04 -1.17 -0.50 0.00 0.71 0.00 0.00 54.79 53.87 1ie5 n ASP 81 Cb 0.18 0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 1ie5 n ASP 81 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ie5 n GLU 82 N -0.59 1.84 -3.52 -1.24 2.13 -1.13 -4.89 120.64 113.24 1ie5 n GLU 82 Ca 0.08 0.67 -0.13 0.00 0.66 0.00 0.00 57.16 58.45 1ie5 n GLU 82 Cb 0.40 -2.44 -0.04 0.00 0.27 0.00 0.00 31.44 29.63 1ie5 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ie5 s ALA 83 N 2.75 -1.40 -0.16 4.31 0.00 -0.84 -4.90 121.76 121.53 1ie5 s ALA 83 Ca 0.89 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1ie5 s ALA 83 Cb -0.80 0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1ie5 s ALA 83 CO 0.50 -0.63 -0.18 -2.00 0.00 0.00 0.00 175.76 173.46 1ie5 s GLU 84 N -3.12 2.69 -0.10 0.00 2.12 -1.26 -0.95 118.70 118.08 1ie5 s GLU 84 Ca -0.02 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 1ie5 s GLU 84 Cb -0.00 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1ie5 s GLU 84 CO -0.07 -0.17 -0.06 0.71 -0.54 0.00 0.00 175.26 175.12 1ie5 s TYR 85 N 1.25 2.96 -0.19 5.30 1.51 0.29 -1.71 117.35 126.77 1ie5 s TYR 85 Ca 0.02 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1ie5 s TYR 85 Cb -0.13 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1ie5 s TYR 85 CO -0.09 0.17 -0.13 0.42 -1.11 0.00 0.00 175.55 174.80 1ie5 s ILE 86 N -0.33 1.74 -0.11 2.71 1.09 -1.26 -1.46 121.20 123.58 1ie5 s ILE 86 Ca 0.05 -0.95 -0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1ie5 s ILE 86 Cb -0.12 -1.72 -0.02 0.00 -1.06 0.00 0.00 42.46 39.53 1ie5 s ILE 86 CO 0.02 0.29 -0.09 0.00 -0.10 0.00 0.00 174.94 175.07 1ie5 s ILE 88 N -0.14 0.89 0.05 0.00 1.09 -0.41 -0.93 121.20 121.74 1ie5 s ILE 88 Ca 0.01 -0.45 0.04 0.00 -1.10 0.00 0.00 60.65 59.15 1ie5 s ILE 88 Cb -0.13 -0.77 -0.02 0.00 -1.06 0.00 0.00 42.46 40.47 1ie5 s ILE 88 CO 0.03 0.26 -0.11 0.00 -0.10 0.00 0.00 174.94 175.03 1ie5 s ALA 89 N -0.01 0.87 -0.09 9.38 0.00 -0.15 -1.82 121.76 129.94 1ie5 s ALA 89 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 1ie5 s ALA 89 Cb -0.07 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1ie5 s ALA 89 CO 0.00 0.10 0.39 -2.00 0.00 0.00 0.00 175.76 174.25 1ie5 s GLU 90 N -1.41 0.59 0.00 0.00 2.12 0.29 -0.87 118.70 119.42 1ie5 s GLU 90 Ca -0.04 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1ie5 s GLU 90 Cb -0.09 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1ie5 s GLU 90 CO 0.01 -0.13 0.00 0.27 -0.54 0.00 0.00 175.26 174.87 1ie5 n ASN 91 N 2.10 0.00 0.27 -1.70 6.94 -0.57 -0.88 115.26 121.42 1ie5 n ASN 91 Ca -0.17 -0.94 0.16 0.00 -0.02 0.00 0.00 54.58 53.62 1ie5 n ASN 91 Cb 0.57 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.68 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1ie5 h LYS 92 N 0.00 0.00 0.00 -3.83 -0.00 -1.93 -3.17 116.57 107.65 1ie5 h LYS 92 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 60.45 1ie5 h LYS 92 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 1ie5 h LYS 92 CO 0.00 0.05 -1.48 0.00 -0.00 0.00 0.00 179.45 178.02 1ie5 n ALA 93 N -2.13 1.83 0.00 0.07 0.00 -1.26 -5.08 120.51 113.94 1ie5 n ALA 93 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ie5 n ALA 93 Cb 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ie5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie5 n GLY 94 N 1.43 -0.59 3.42 0.00 0.00 -1.20 -4.61 105.19 103.64 1ie5 n GLY 94 Ca -0.11 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 1ie5 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie5 s GLU 95 N -0.01 0.84 0.34 1.61 2.12 -1.26 -1.51 118.70 120.83 1ie5 s GLU 95 Ca 0.00 0.25 -0.18 0.00 0.36 0.00 0.00 54.97 55.41 1ie5 s GLU 95 Cb 0.00 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.82 1ie5 s GLU 95 CO 0.00 -0.22 0.76 -1.14 -0.54 0.00 0.00 175.26 174.12 1ie5 s GLN 96 N -0.86 2.06 -0.03 4.30 2.00 -0.05 -4.84 119.66 122.24 1ie5 s GLN 96 Ca -0.09 -1.26 -0.29 0.00 -2.00 0.00 0.00 55.36 51.72 1ie5 s GLN 96 Cb -0.03 0.62 0.09 0.00 0.80 0.00 0.00 33.01 34.49 1ie5 s GLN 96 CO 0.06 -0.96 0.77 0.16 -0.50 0.00 0.00 175.29 174.82 1ie5 s ASP 97 N -3.01 -0.54 0.37 6.67 -4.77 -1.26 -0.97 116.67 113.16 1ie5 s ASP 97 Ca 0.14 0.42 -0.04 0.00 -3.30 0.00 0.00 52.55 49.77 1ie5 s ASP 97 Cb -0.05 0.47 0.02 0.00 -1.09 0.00 0.00 42.92 42.26 1ie5 s ASP 97 CO 0.10 -0.61 0.55 0.00 0.70 0.00 0.00 175.17 175.90 1ie5 s ALA 98 N -1.89 0.59 0.00 2.11 0.00 -0.11 -4.78 121.76 117.69 1ie5 s ALA 98 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1ie5 s ALA 98 Cb -0.00 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 1ie5 s ALA 98 CO 0.01 -0.83 -0.02 0.99 0.00 0.00 0.00 175.76 175.92 1ie5 s THR 99 N -2.75 0.11 0.07 0.00 2.01 -1.26 -0.87 115.64 112.95 1ie5 s THR 99 Ca 0.28 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1ie5 s THR 99 Cb -0.02 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1ie5 s THR 99 CO 0.20 -0.09 0.04 -0.63 -0.69 0.00 0.00 174.62 173.46 1ie5 s ILE 100 N -0.35 0.18 0.06 1.82 1.01 -0.54 -4.74 121.20 118.64 1ie5 s ILE 100 Ca -0.03 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 58.99 1ie5 s ILE 100 Cb -0.03 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1ie5 s ILE 100 CO -0.00 -0.82 -0.11 -2.28 0.00 0.00 0.00 174.94 171.73 1ie5 s HIS 101 N -3.93 0.98 -0.20 3.97 5.65 -0.61 -0.54 115.29 120.61 1ie5 s HIS 101 Ca 0.09 -0.48 -0.00 0.00 0.25 0.00 0.00 55.06 54.92 1ie5 s HIS 101 Cb 0.07 -0.56 0.05 0.00 -1.18 0.00 0.00 32.58 30.96 1ie5 s HIS 101 CO -0.08 -0.00 -0.04 -1.17 -0.65 0.00 0.00 174.74 172.79 1ie5 s LEU 102 N -1.67 1.94 -0.44 8.88 2.96 -0.12 -0.46 118.68 129.76 1ie5 s LEU 102 Ca -0.05 -0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 52.80 1ie5 s LEU 102 Cb -0.10 -0.98 0.05 0.00 0.50 0.00 0.00 46.19 45.66 1ie5 s LEU 102 CO 0.01 -0.22 0.38 -1.59 -1.32 0.00 0.00 176.35 173.61 1ie5 s LYS 103 N 1.57 3.00 -0.22 1.98 -2.85 -0.63 -1.98 119.74 120.61 1ie5 s LYS 103 Ca -0.02 -1.12 -0.13 0.00 -1.00 0.00 0.00 55.97 53.70 1ie5 s LYS 103 Cb -0.17 -4.05 -0.04 0.00 -2.06 0.00 0.00 37.83 31.50 1ie5 s LYS 103 CO -0.07 -0.91 0.28 0.08 0.10 0.00 0.00 175.35 174.82 1ie5 s VAL 104 N 1.78 5.28 0.06 1.79 1.01 -1.26 -3.18 120.40 125.88 1ie5 s VAL 104 Ca 0.06 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1ie5 s VAL 104 Cb -0.21 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1ie5 s VAL 104 CO 0.09 0.30 0.02 0.72 0.00 0.00 0.00 175.10 176.23 1ie5 s PHE 105 N 1.20 3.07 -0.51 5.22 -0.12 -0.56 -4.82 117.98 121.46 1ie5 s PHE 105 Ca 0.13 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 57.01 1ie5 s PHE 105 Cb -0.14 -1.60 0.05 0.00 -0.63 0.00 0.00 43.02 40.70 1ie5 s PHE 105 CO 0.06 0.49 2.78 0.00 -0.05 0.00 0.00 175.22 178.50 1ie5 n ALA 106 N 0.77 6.49 -0.80 1.99 0.00 -1.26 -0.76 120.51 126.94 1ie5 n ALA 106 Ca -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1ie5 n ALA 106 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13