#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie5 n LYS 2 N 0.00 0.68 -0.01 1.61 4.81 -1.26 -4.72 118.16 119.26 1ie5 n LYS 2 Ca 0.00 -1.49 0.13 0.00 -0.87 0.00 0.00 58.31 56.08 1ie5 n LYS 2 Cb 0.00 1.77 0.70 0.00 0.02 0.00 0.00 35.03 37.51 1ie5 n LYS 2 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ie5 n ASP 3 N -1.42 0.48 0.08 3.14 5.75 -1.26 -3.97 116.55 119.35 1ie5 n ASP 3 Ca -0.05 -1.29 -0.13 0.00 -0.01 0.00 0.00 54.79 53.31 1ie5 n ASP 3 Cb 0.38 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1ie5 n ASP 3 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1ie5 h ILE 4 N 0.71 1.44 0.00 2.12 1.08 -1.97 -3.40 117.51 117.49 1ie5 h ILE 4 Ca 0.00 -2.64 -0.08 0.00 -0.39 0.00 0.00 64.86 61.75 1ie5 h ILE 4 Cb 0.15 2.56 -0.13 0.00 -3.07 0.00 0.00 36.82 36.34 1ie5 h ILE 4 CO 0.00 0.78 -0.41 0.00 -0.69 0.00 0.00 178.15 177.83 1ie5 n GLN 5 N -3.68 0.00 -3.46 2.37 10.64 -1.26 -5.04 117.38 116.95 1ie5 n GLN 5 Ca -0.07 -0.94 -0.21 0.00 -1.83 0.00 0.00 57.00 53.96 1ie5 n GLN 5 Cb 0.88 0.07 -0.12 0.00 -0.86 0.00 0.00 30.24 30.21 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 -0.29 -1.33 -0.39 1.01 -1.25 -5.08 120.40 113.07 1ie5 s VAL 6 Ca 0.07 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1ie5 s VAL 6 Cb 0.08 -0.92 0.09 0.00 0.00 0.00 0.00 36.38 35.63 1ie5 s VAL 6 CO -0.04 -0.50 1.85 -0.38 0.00 0.00 0.00 175.10 176.03 1ie5 n ILE 7 N 5.29 3.92 0.00 2.22 5.41 -1.26 -3.12 119.36 131.82 1ie5 n ILE 7 Ca -0.04 -3.95 0.00 0.00 1.00 0.00 0.00 62.75 59.76 1ie5 n ILE 7 Cb 0.46 -2.45 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 1ie5 n ILE 7 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1ie5 n VAL 8 N 5.24 0.00 -2.58 1.39 0.31 -1.26 -5.13 118.33 116.29 1ie5 n VAL 8 Ca 0.46 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.39 1ie5 n VAL 8 Cb 0.42 -0.05 -0.05 0.00 -0.91 0.00 0.00 33.84 33.25 1ie5 n VAL 8 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ie5 s ASN 9 N -1.95 7.41 -0.22 4.52 0.01 -1.18 -4.63 114.94 118.90 1ie5 s ASN 9 Ca 0.00 2.14 -0.03 0.00 -0.71 0.00 0.00 52.86 54.25 1ie5 s ASN 9 Cb 0.00 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 39.15 1ie5 s ASN 9 CO 0.00 -0.03 0.27 -0.69 -1.51 0.00 0.00 177.10 175.14 1ie5 s VAL 10 N -1.10 -0.42 1.01 1.60 1.01 0.26 -4.51 120.40 118.25 1ie5 s VAL 10 Ca 0.43 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1ie5 s VAL 10 Cb -0.30 -0.73 0.19 0.00 0.00 0.00 0.00 36.38 35.55 1ie5 s VAL 10 CO 0.37 -0.19 1.09 -2.65 0.00 0.00 0.00 175.10 173.72 1ie5 n PRO 11 N 5.33 -1.14 -1.97 2.72 -0.02 -1.26 -1.08 135.00 137.58 1ie5 n PRO 11 Ca -0.05 -0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 60.81 1ie5 n PRO 11 Cb 0.50 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1ie5 n PRO 11 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ie5 s PRO 12 N -4.53 2.98 -0.33 0.52 0.02 -1.26 -4.54 135.00 127.86 1ie5 s PRO 12 Ca 0.67 1.60 0.17 0.00 0.02 0.00 0.00 61.00 63.47 1ie5 s PRO 12 Cb -0.24 -1.95 0.46 0.00 0.02 0.00 0.00 34.50 32.79 1ie5 s PRO 12 CO 0.61 -1.15 0.96 0.43 -0.33 0.00 0.00 177.00 177.52 1ie5 n SER 13 N -1.85 1.69 -4.75 2.53 7.64 0.24 -4.62 113.62 114.51 1ie5 n SER 13 Ca 0.12 -2.78 -0.41 0.00 1.01 0.00 0.00 58.87 56.81 1ie5 n SER 13 Cb 0.51 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -3.31 2.65 0.06 0.44 0.11 -1.26 -4.06 120.40 115.03 1ie5 s VAL 14 Ca 0.29 0.55 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 1ie5 s VAL 14 Cb 0.45 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1ie5 s VAL 14 CO 0.02 0.09 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.69 1ie5 s ARG 15 N -0.42 0.64 -0.52 1.54 0.52 -0.08 -4.46 118.95 116.17 1ie5 s ARG 15 Ca 0.59 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 54.56 1ie5 s ARG 15 Cb -0.42 -0.13 0.06 0.00 0.52 0.00 0.00 34.95 34.98 1ie5 s ARG 15 CO 0.44 -0.02 0.66 0.00 0.02 0.00 0.00 175.30 176.40 1ie5 s ALA 16 N -2.71 3.36 0.41 2.13 0.00 -1.26 -1.72 121.76 121.97 1ie5 s ALA 16 Ca 0.01 -1.72 0.13 0.00 0.00 0.00 0.00 51.96 50.38 1ie5 s ALA 16 Cb -0.01 -3.40 0.97 0.00 0.00 0.00 0.00 23.12 20.68 1ie5 s ALA 16 CO -0.04 -2.07 1.93 -0.09 0.00 0.00 0.00 175.76 175.49 1ie5 h ARG 17 N 9.04 0.49 -5.70 0.00 2.43 -1.64 -3.39 114.38 115.61 1ie5 h ARG 17 Ca -0.27 -0.03 -0.51 0.00 -0.81 0.00 0.00 59.98 58.35 1ie5 h ARG 17 Cb 1.09 -0.11 -0.25 0.00 -0.42 0.00 0.00 29.97 30.28 1ie5 h ARG 17 CO 0.99 0.32 -0.82 -0.65 -1.51 0.00 0.00 179.97 178.30 1ie5 s GLN 18 N -5.48 1.17 -0.02 0.20 -1.52 -1.26 -5.04 119.66 107.71 1ie5 s GLN 18 Ca -0.08 -0.84 -0.03 0.00 -1.95 0.00 0.00 55.36 52.46 1ie5 s GLN 18 Cb 0.21 -1.23 -0.28 0.00 -0.22 0.00 0.00 33.01 31.49 1ie5 s GLN 18 CO 0.77 0.31 0.77 0.77 -0.25 0.00 0.00 175.29 177.66 1ie5 h SER 19 N 4.93 0.39 -3.57 5.90 0.02 -1.87 -3.42 113.55 115.93 1ie5 h SER 19 Ca -0.40 -0.59 -0.20 0.00 -0.84 0.00 0.00 61.79 59.76 1ie5 h SER 19 Cb 1.17 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 63.29 1ie5 h SER 19 CO 0.44 1.50 -0.53 -0.89 -1.14 0.00 0.00 176.83 176.21 1ie5 s THR 20 N -2.61 -0.03 0.13 -2.27 2.01 -1.26 -1.48 115.64 110.13 1ie5 s THR 20 Ca -0.11 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.08 1ie5 s THR 20 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1ie5 s THR 20 CO 0.84 0.04 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.54 1ie5 s MET 21 N 0.72 1.27 0.05 4.92 1.00 0.12 -4.95 119.30 122.42 1ie5 s MET 21 Ca -0.05 -1.28 0.05 0.00 0.00 0.00 0.00 55.69 54.41 1ie5 s MET 21 Cb -0.07 -1.60 -0.02 0.00 0.00 0.00 0.00 34.83 33.14 1ie5 s MET 21 CO -0.04 0.37 -0.14 -0.80 0.00 0.00 0.00 175.02 174.41 1ie5 s ASN 22 N -2.10 1.63 -0.05 3.03 0.01 -1.26 -0.99 114.94 115.22 1ie5 s ASN 22 Ca 0.11 -0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 1ie5 s ASN 22 Cb -0.09 -0.08 0.07 0.00 0.41 0.00 0.00 41.25 41.55 1ie5 s ASN 22 CO 0.06 -0.01 0.65 0.00 -1.51 0.00 0.00 177.10 176.29 1ie5 s ALA 23 N -0.98 -1.69 -0.18 0.60 0.00 -0.93 -4.98 121.76 113.59 1ie5 s ALA 23 Ca 0.00 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 1ie5 s ALA 23 Cb -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1ie5 s ALA 23 CO 0.02 -0.37 0.74 0.99 0.00 0.00 0.00 175.76 177.14 1ie5 s THR 24 N -1.22 4.95 0.63 0.00 2.01 -1.26 -1.54 115.64 119.20 1ie5 s THR 24 Ca -0.11 1.43 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 1ie5 s THR 24 Cb -0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1ie5 s THR 24 CO 0.09 0.07 1.00 0.00 -0.69 0.00 0.00 174.62 175.10 1ie5 s ALA 25 N 1.97 3.10 -0.22 7.40 0.00 0.15 -4.43 121.76 129.72 1ie5 s ALA 25 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1ie5 s ALA 25 Cb -0.16 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1ie5 s ALA 25 CO 0.12 -0.83 0.00 -1.71 0.00 0.00 0.00 175.76 173.34 1ie5 n ASN 26 N -2.76 -5.15 -0.76 0.00 2.85 -0.82 -4.49 115.26 104.14 1ie5 n ASN 26 Ca 0.05 0.05 0.12 0.00 -0.11 0.00 0.00 54.58 54.70 1ie5 n ASN 26 Cb 0.56 -2.84 0.13 0.00 1.24 0.00 0.00 39.78 38.87 1ie5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ie5 n LEU 27 N -0.24 2.51 -1.68 1.20 4.77 -1.25 -4.98 117.00 117.33 1ie5 n LEU 27 Ca -0.02 -0.85 -0.16 0.00 -0.03 0.00 0.00 56.01 54.95 1ie5 n LEU 27 Cb 0.39 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1ie5 n LEU 27 CO 0.03 0.43 -0.19 -1.20 -1.33 0.00 0.00 177.39 175.13 1ie5 n SER 28 N 0.78 -4.79 -4.08 -1.43 7.64 -1.01 -4.98 113.62 105.75 1ie5 n SER 28 Ca 0.13 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 1ie5 n SER 28 Cb 0.53 -3.86 0.22 0.00 -1.01 0.00 0.00 64.21 60.08 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 -4.46 -0.64 0.08 1.43 -1.52 -1.24 -3.88 119.66 109.44 1ie5 s GLN 29 Ca 0.00 0.05 0.06 0.00 -1.95 0.00 0.00 55.36 53.53 1ie5 s GLN 29 Cb 0.00 -1.65 -0.03 0.00 -0.22 0.00 0.00 33.01 31.11 1ie5 s GLN 29 CO 0.00 -3.35 -0.17 -1.54 -0.25 0.00 0.00 175.29 169.99 1ie5 s SER 30 N -3.86 1.98 -0.13 5.90 1.04 -1.26 -0.80 113.70 116.57 1ie5 s SER 30 Ca 0.69 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1ie5 s SER 30 Cb -0.12 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 65.97 1ie5 s SER 30 CO 0.56 -0.02 0.31 -0.69 0.98 0.00 0.00 173.24 174.38 1ie5 s VAL 31 N -1.22 -0.03 0.02 5.02 1.01 0.26 -5.00 120.40 120.45 1ie5 s VAL 31 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ie5 s VAL 31 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1ie5 s VAL 31 CO 0.03 0.05 0.08 -0.89 0.00 0.00 0.00 175.10 174.36 1ie5 s THR 32 N 1.26 4.64 0.32 3.92 2.01 -1.26 -0.15 115.64 126.38 1ie5 s THR 32 Ca -0.09 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 1ie5 s THR 32 Cb -0.09 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1ie5 s THR 32 CO -0.10 0.29 0.65 -1.48 -0.69 0.00 0.00 174.62 173.29 1ie5 s LEU 33 N -1.90 0.16 -0.27 4.42 0.05 -0.68 -5.01 118.68 115.45 1ie5 s LEU 33 Ca 0.24 -1.00 -0.25 0.00 0.05 0.00 0.00 54.13 53.17 1ie5 s LEU 33 Cb -0.12 2.35 0.08 0.00 -2.05 0.00 0.00 46.19 46.45 1ie5 s LEU 33 CO 0.16 -1.41 0.77 0.00 -0.55 0.00 0.00 176.35 175.32 1ie5 s ALA 34 N -3.26 -1.81 -0.77 1.48 0.00 -1.26 -0.75 121.76 115.39 1ie5 s ALA 34 Ca 0.18 2.00 0.03 0.00 0.00 0.00 0.00 51.96 54.17 1ie5 s ALA 34 Cb -0.04 -1.22 0.31 0.00 0.00 0.00 0.00 23.12 22.16 1ie5 s ALA 34 CO 0.11 -0.32 1.15 0.00 0.00 0.00 0.00 175.76 176.70 1ie5 s ASP 36 N -2.50 7.09 0.25 0.00 -4.77 -0.70 -4.64 116.67 111.39 1ie5 s ASP 36 Ca 0.41 2.06 0.10 0.00 -3.30 0.00 0.00 52.55 51.82 1ie5 s ASP 36 Cb 0.19 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.39 1ie5 s ASP 36 CO -0.06 -0.44 -0.08 0.00 0.70 0.00 0.00 175.17 175.28 1ie5 s ALA 37 N 0.82 2.99 0.02 2.11 0.00 -1.20 -0.90 121.76 125.61 1ie5 s ALA 37 Ca 0.57 -1.69 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 1ie5 s ALA 37 Cb -0.30 -0.61 0.06 0.00 0.00 0.00 0.00 23.12 22.27 1ie5 s ALA 37 CO 0.31 0.31 0.56 0.34 0.00 0.00 0.00 175.76 177.27 1ie5 s ASP 38 N -3.46 -0.50 0.00 0.00 2.15 -1.26 -3.95 116.67 109.65 1ie5 s ASP 38 Ca 0.30 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1ie5 s ASP 38 Cb -0.06 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 1ie5 s ASP 38 CO 0.17 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1ie5 n GLY 39 N 0.56 -0.17 3.42 2.66 0.00 -1.26 -0.59 105.19 109.81 1ie5 n GLY 39 Ca -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 -0.63 0.95 1.61 2.19 -0.24 -4.29 117.98 115.56 1ie5 s PHE 40 Ca 0.00 1.46 -0.12 0.00 0.33 0.00 0.00 56.93 58.61 1ie5 s PHE 40 Cb 0.00 0.25 0.10 0.00 -1.31 0.00 0.00 43.02 42.06 1ie5 s PHE 40 CO 0.00 -0.31 0.76 -2.30 1.83 0.00 0.00 175.22 175.19 1ie5 n PRO 41 N 3.16 -0.46 -1.04 10.12 -0.02 -1.26 -0.57 135.00 144.93 1ie5 n PRO 41 Ca -0.16 -0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 1ie5 n PRO 41 Cb 0.56 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1ie5 n PRO 41 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ie5 n GLU 42 N -2.98 0.00 -2.30 -0.52 0.28 -1.26 -4.58 120.64 109.28 1ie5 n GLU 42 Ca 0.09 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.82 1ie5 n GLU 42 Cb 0.53 -0.98 0.03 0.00 1.43 0.00 0.00 31.44 32.45 1ie5 n GLU 42 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1ie5 s PRO 43 N 0.74 2.96 0.14 3.44 0.04 -1.26 -4.80 135.00 136.26 1ie5 s PRO 43 Ca 0.63 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.86 1ie5 s PRO 43 Cb -0.89 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1ie5 s PRO 43 CO 0.43 -0.73 -0.15 0.99 0.04 0.00 0.00 177.00 177.59 1ie5 s THR 44 N -3.05 2.99 0.03 1.26 2.01 0.15 -5.00 115.64 114.04 1ie5 s THR 44 Ca 0.54 -1.55 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 1ie5 s THR 44 Cb -0.11 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.05 1ie5 s THR 44 CO 0.46 0.03 0.61 0.00 -0.69 0.00 0.00 174.62 175.03 1ie5 s MET 45 N -2.39 1.10 0.23 4.92 0.23 -1.26 -0.74 119.30 121.39 1ie5 s MET 45 Ca 0.21 -0.07 -0.17 0.00 -1.03 0.00 0.00 55.69 54.62 1ie5 s MET 45 Cb -0.10 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1ie5 s MET 45 CO 0.12 -0.40 0.57 0.95 -2.03 0.00 0.00 175.02 174.24 1ie5 s THR 46 N -2.18 0.01 0.17 3.16 -4.23 -0.58 -4.94 115.64 107.05 1ie5 s THR 46 Ca -0.06 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1ie5 s THR 46 Cb -0.01 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 72.05 1ie5 s THR 46 CO 0.01 -0.05 0.54 -1.66 -0.54 0.00 0.00 174.62 172.92 1ie5 s TRP 47 N -3.92 -0.32 0.14 3.99 1.48 -1.26 -1.13 118.94 117.92 1ie5 s TRP 47 Ca 0.13 0.03 0.06 0.00 -1.06 0.00 0.00 56.10 55.26 1ie5 s TRP 47 Cb -0.02 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.70 1ie5 s TRP 47 CO 0.03 -0.86 -0.14 0.95 -4.06 0.00 0.00 176.95 172.86 1ie5 s THR 48 N -3.81 1.37 -1.04 0.66 -4.23 -0.29 -0.52 115.64 107.79 1ie5 s THR 48 Ca 0.04 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1ie5 s THR 48 Cb -0.01 -1.65 0.30 0.00 1.34 0.00 0.00 72.50 72.49 1ie5 s THR 48 CO -0.08 -0.48 1.41 1.17 -0.54 0.00 0.00 174.62 176.09 1ie5 n LYS 49 N 0.31 4.28 0.00 3.99 4.81 0.53 -2.98 118.16 129.11 1ie5 n LYS 49 Ca -0.14 -4.56 0.00 0.00 -0.87 0.00 0.00 58.31 52.74 1ie5 n LYS 49 Cb 0.58 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1ie5 n LYS 49 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ie5 n ASP 50 N 1.33 0.00 0.00 3.14 2.03 -0.28 -3.84 116.55 118.93 1ie5 n ASP 50 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1ie5 n ASP 50 Cb 0.34 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.68 0.02 3.87 0.27 0.00 -1.26 -4.98 105.19 101.43 1ie5 n GLY 51 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.80 0.29 1.61 -1.05 -1.25 -4.99 118.70 117.11 1ie5 s GLU 52 Ca 0.00 0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.78 1ie5 s GLU 52 Cb 0.00 -2.84 -0.09 0.00 -0.44 0.00 0.00 34.13 30.76 1ie5 s GLU 52 CO 0.00 0.44 0.98 -1.25 0.95 0.00 0.00 175.26 176.38 1ie5 s PRO 53 N -2.35 4.68 -0.44 -4.83 0.04 -1.26 -0.34 135.00 130.49 1ie5 s PRO 53 Ca 0.40 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1ie5 s PRO 53 Cb -0.13 -3.05 0.65 0.00 0.04 0.00 0.00 34.50 32.01 1ie5 s PRO 53 CO 0.20 0.34 1.89 -0.89 0.04 0.00 0.00 177.00 178.58 1ie5 n ILE 54 N 1.02 3.17 -0.82 0.56 5.41 0.33 -4.86 119.36 124.16 1ie5 n ILE 54 Ca -0.00 -2.01 -0.36 0.00 1.00 0.00 0.00 62.75 61.38 1ie5 n ILE 54 Cb 0.48 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 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 -1.14 0.00 0.00 0.38 0.28 -1.26 -4.76 120.64 114.13 1ie5 n GLU 55 Ca 0.58 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.64 1ie5 n GLU 55 Cb 1.61 -0.85 0.32 0.00 1.43 0.00 0.00 31.44 33.95 1ie5 n GLU 55 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ie5 n GLN 56 N 3.44 0.17 0.00 3.44 3.00 -1.26 -0.68 117.38 125.49 1ie5 n GLN 56 Ca 0.26 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 1ie5 n GLN 56 Cb -0.03 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 28.80 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ie5 n GLU 57 N -1.31 1.23 0.00 -1.09 1.02 -1.26 -4.77 120.64 114.45 1ie5 n GLU 57 Ca 0.06 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1ie5 n GLU 57 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ie5 n ASP 58 N -0.04 0.00 -4.44 1.62 2.03 -1.04 -5.09 116.55 109.59 1ie5 n ASP 58 Ca 0.10 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.97 1ie5 n ASP 58 Cb 0.45 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.80 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ie5 s ASN 59 N -1.01 6.22 0.00 1.67 3.84 0.15 -4.80 114.94 121.01 1ie5 s ASN 59 Ca 0.00 -0.99 0.00 0.00 0.21 0.00 0.00 52.86 52.08 1ie5 s ASN 59 Cb 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 1ie5 s ASN 59 CO 0.00 -1.02 0.50 -0.62 -2.79 0.00 0.00 177.10 173.18 1ie5 n GLU 60 N 6.44 0.30 -0.15 0.43 1.02 -1.26 -4.69 120.64 122.73 1ie5 n GLU 60 Ca -0.06 -0.56 0.07 0.00 -0.02 0.00 0.00 57.16 56.60 1ie5 n GLU 60 Cb 0.45 -0.56 0.14 0.00 -0.02 0.00 0.00 31.44 31.45 1ie5 n GLU 60 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ie5 n GLU 61 N -0.05 -0.03 -2.69 3.49 1.02 -1.26 -1.97 120.64 119.14 1ie5 n GLU 61 Ca 0.00 0.65 -0.07 0.00 -0.02 0.00 0.00 57.16 57.72 1ie5 n GLU 61 Cb 0.44 -1.05 0.10 0.00 -0.02 0.00 0.00 31.44 30.91 1ie5 n GLU 61 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1ie5 n LYS 62 N -4.41 1.21 -3.51 3.49 2.85 -1.26 -5.12 118.16 111.40 1ie5 n LYS 62 Ca 0.11 -2.16 -0.18 0.00 -1.05 0.00 0.00 58.31 55.03 1ie5 n LYS 62 Cb 0.37 -0.33 -0.06 0.00 -0.65 0.00 0.00 35.03 34.36 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 -0.69 -0.65 -0.01 5.58 -0.85 -0.83 -1.10 117.35 118.81 1ie5 s TYR 63 Ca 0.23 1.07 -0.00 0.00 -0.52 0.00 0.00 57.07 57.84 1ie5 s TYR 63 Cb 0.42 0.42 0.00 0.00 0.38 0.00 0.00 41.96 43.18 1ie5 s TYR 63 CO -0.06 -0.63 0.01 -1.12 -1.52 0.00 0.00 175.55 172.24 1ie5 s SER 64 N -1.31 -0.01 0.22 -0.18 0.01 -0.36 -4.67 113.70 107.40 1ie5 s SER 64 Ca -0.10 0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1ie5 s SER 64 Cb -0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1ie5 s SER 64 CO 0.08 -0.01 0.29 2.22 0.41 0.00 0.00 173.24 176.24 1ie5 n PHE 65 N 3.08 -1.01 -3.93 2.43 1.16 -1.26 -0.65 117.46 117.28 1ie5 n PHE 65 Ca -0.12 -1.50 -0.09 0.00 -1.87 0.00 0.00 57.45 53.87 1ie5 n PHE 65 Cb 0.60 0.33 -0.07 0.00 -1.61 0.00 0.00 39.48 38.73 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ie5 s ASN 66 N -2.37 0.06 0.61 5.98 6.03 -0.71 -5.00 114.94 119.53 1ie5 s ASN 66 Ca 0.19 -0.81 0.01 0.00 -1.03 0.00 0.00 52.86 51.22 1ie5 s ASN 66 Cb -0.00 0.41 0.06 0.00 -3.03 0.00 0.00 41.25 38.69 1ie5 s ASN 66 CO 0.13 -0.85 0.84 -0.72 -2.03 0.00 0.00 177.10 174.48 1ie5 s TYR 67 N -3.94 2.42 -1.16 1.54 -0.85 -1.26 -3.40 117.35 110.69 1ie5 s TYR 67 Ca 0.14 -0.12 -0.06 0.00 -0.52 0.00 0.00 57.07 56.51 1ie5 s TYR 67 Cb 0.04 -2.81 0.04 0.00 0.38 0.00 0.00 41.96 39.61 1ie5 s TYR 67 CO -0.03 -1.15 0.32 -0.25 -1.52 0.00 0.00 175.55 172.93 1ie5 n ASP 68 N -2.49 -3.72 0.00 -0.18 8.00 -1.26 -4.61 116.55 112.28 1ie5 n ASP 68 Ca 0.10 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1ie5 n ASP 68 Cb 0.60 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 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 -1.04 -0.51 1.65 0.44 0.00 -1.25 -4.90 105.19 99.57 1ie5 n GLY 69 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ie5 n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ie5 n SER 70 N 0.00 -2.02 -0.82 1.61 2.88 -1.22 -3.22 113.62 110.83 1ie5 n SER 70 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1ie5 n SER 70 Cb 0.00 2.09 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 1ie5 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ie5 n GLU 71 N -2.97 0.00 -2.97 -1.46 1.02 -1.26 -1.74 120.64 111.26 1ie5 n GLU 71 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1ie5 n GLU 71 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1ie5 n GLU 71 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ie5 s LEU 72 N -0.45 4.08 -0.27 -4.62 0.20 0.07 -4.19 118.68 113.50 1ie5 s LEU 72 Ca 0.00 0.92 -0.09 0.00 0.69 0.00 0.00 54.13 55.66 1ie5 s LEU 72 Cb 0.00 -3.06 -0.03 0.00 -0.43 0.00 0.00 46.19 42.66 1ie5 s LEU 72 CO 0.00 -0.45 0.11 -0.63 -0.29 0.00 0.00 176.35 175.09 1ie5 s ILE 73 N 2.65 4.60 -0.10 6.68 1.01 0.18 -1.69 121.20 134.53 1ie5 s ILE 73 Ca 0.32 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 1ie5 s ILE 73 Cb -0.15 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1ie5 s ILE 73 CO 0.08 0.28 0.34 -0.63 0.00 0.00 0.00 174.94 175.01 1ie5 s ILE 74 N 1.65 5.22 0.21 2.92 1.01 0.79 -1.22 121.20 131.78 1ie5 s ILE 74 Ca 0.06 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.48 1ie5 s ILE 74 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ie5 s ILE 74 CO 0.06 0.47 -0.16 -1.59 0.00 0.00 0.00 174.94 173.72 1ie5 s LYS 75 N -0.19 1.81 -0.81 2.79 -2.85 -0.26 -0.57 119.74 119.66 1ie5 s LYS 75 Ca 0.20 -1.47 -0.02 0.00 -1.00 0.00 0.00 55.97 53.69 1ie5 s LYS 75 Cb -0.14 -1.97 -0.02 0.00 -2.06 0.00 0.00 37.83 33.63 1ie5 s LYS 75 CO 0.08 0.40 0.69 1.17 0.10 0.00 0.00 175.35 177.78 1ie5 n LYS 76 N -0.08 -3.56 -2.09 1.78 4.81 0.01 -4.78 118.16 114.26 1ie5 n LYS 76 Ca -0.10 0.61 -0.42 0.00 -0.87 0.00 0.00 58.31 57.52 1ie5 n LYS 76 Cb 0.57 -4.77 -0.03 0.00 0.02 0.00 0.00 35.03 30.82 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ie5 s VAL 77 N -3.26 3.47 0.00 3.15 1.01 0.02 -4.81 120.40 119.98 1ie5 s VAL 77 Ca 0.12 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1ie5 s VAL 77 Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1ie5 s VAL 77 CO 0.52 -0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.93 1ie5 n ASP 78 N 5.80 1.28 0.00 3.32 2.03 -1.26 -2.40 116.55 125.33 1ie5 n ASP 78 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1ie5 n ASP 78 Cb 0.42 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.71 0.00 0.00 -0.67 5.02 -1.26 -1.94 118.16 117.60 1ie5 n LYS 79 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1ie5 n LYS 79 Cb 0.16 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.62 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 0.00 0.00 0.04 4.39 3.41 -1.26 -3.84 113.62 116.36 1ie5 n SER 80 Ca 0.00 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1ie5 n SER 80 Cb 0.00 -0.35 0.54 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.35 0.29 -4.74 4.04 9.92 -1.26 -4.86 116.55 118.59 1ie5 n ASP 81 Ca 0.08 0.53 -0.42 0.00 -0.53 0.00 0.00 54.79 54.45 1ie5 n ASP 81 Cb 0.17 -0.60 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 1ie5 n ASP 81 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1ie5 s GLU 82 N -3.04 4.22 -0.07 -1.24 2.12 -1.25 -4.94 118.70 114.49 1ie5 s GLU 82 Ca 0.13 2.39 -0.30 0.00 0.36 0.00 0.00 54.97 57.55 1ie5 s GLU 82 Cb 0.16 -3.10 0.11 0.00 0.26 0.00 0.00 34.13 31.56 1ie5 s GLU 82 CO 0.54 -0.53 0.88 0.00 -0.54 0.00 0.00 175.26 175.61 1ie5 s ALA 83 N 0.38 -1.85 -0.43 6.30 0.00 -0.99 -4.99 121.76 120.19 1ie5 s ALA 83 Ca 0.64 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.87 1ie5 s ALA 83 Cb -0.44 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 22.65 1ie5 s ALA 83 CO 0.40 -0.46 0.23 -2.00 0.00 0.00 0.00 175.76 173.94 1ie5 s GLU 84 N -1.86 2.07 -1.30 0.00 2.12 -1.26 -1.21 118.70 117.25 1ie5 s GLU 84 Ca -0.01 -1.87 -0.16 0.00 0.36 0.00 0.00 54.97 53.29 1ie5 s GLU 84 Cb -0.01 -3.62 0.10 0.00 0.26 0.00 0.00 34.13 30.86 1ie5 s GLU 84 CO -0.01 -1.09 1.74 0.66 -0.54 0.00 0.00 175.26 176.03 1ie5 n TYR 85 N 4.54 4.48 -2.72 5.30 4.01 0.45 -1.13 117.16 132.09 1ie5 n TYR 85 Ca -0.02 -2.98 -0.42 0.00 -0.16 0.00 0.00 57.90 54.32 1ie5 n TYR 85 Cb 0.41 -2.48 -0.03 0.00 -0.31 0.00 0.00 39.34 36.93 1ie5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ie5 s ILE 86 N 3.24 4.84 0.02 -0.72 1.01 -1.16 -1.79 121.20 126.64 1ie5 s ILE 86 Ca 0.50 2.01 0.03 0.00 0.00 0.00 0.00 60.65 63.19 1ie5 s ILE 86 Cb 0.04 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1ie5 s ILE 86 CO 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 174.94 174.96 1ie5 s ILE 88 N -0.70 0.53 0.10 0.00 1.01 -0.28 -0.85 121.20 121.01 1ie5 s ILE 88 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1ie5 s ILE 88 Cb -0.06 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1ie5 s ILE 88 CO 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 174.94 174.87 1ie5 s ALA 89 N -0.33 1.38 -0.15 9.38 0.00 -0.12 -1.53 121.76 130.39 1ie5 s ALA 89 Ca 0.01 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 1ie5 s ALA 89 Cb -0.04 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ie5 s ALA 89 CO -0.00 0.13 0.42 -2.00 0.00 0.00 0.00 175.76 174.31 1ie5 s GLU 90 N -2.32 0.51 0.00 0.00 2.12 0.08 -0.70 118.70 118.39 1ie5 s GLU 90 Ca 0.05 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1ie5 s GLU 90 Cb -0.07 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1ie5 s GLU 90 CO 0.03 -0.07 0.00 0.27 -0.54 0.00 0.00 175.26 174.95 1ie5 n ASN 91 N 2.75 0.00 0.12 -1.70 6.94 -0.12 -0.67 115.26 122.58 1ie5 n ASN 91 Ca -0.14 -0.98 0.11 0.00 -0.02 0.00 0.00 54.58 53.55 1ie5 n ASN 91 Cb 0.57 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.46 1ie5 n ASN 91 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ie5 n LYS 92 N 0.00 0.16 -0.00 -3.83 4.76 -1.26 -2.98 118.16 115.01 1ie5 n LYS 92 Ca 0.00 0.43 0.03 0.00 -2.87 0.00 0.00 58.31 55.90 1ie5 n LYS 92 Cb 0.00 -1.83 -0.05 0.00 -1.84 0.00 0.00 35.03 31.31 1ie5 n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ie5 n ALA 93 N -1.74 2.59 0.00 7.82 0.00 -1.26 -4.78 120.51 123.14 1ie5 n ALA 93 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ie5 n ALA 93 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.61 -0.57 3.35 0.00 0.00 -1.16 -4.56 105.19 103.86 1ie5 n GLY 94 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.75 0.86 0.24 1.61 2.12 -1.26 -0.95 118.70 120.57 1ie5 s GLU 95 Ca 0.00 -0.08 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 1ie5 s GLU 95 Cb 0.00 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.81 1ie5 s GLU 95 CO 0.00 -0.27 0.64 -1.14 -0.54 0.00 0.00 175.26 173.95 1ie5 s GLN 96 N -1.57 1.59 0.05 4.30 2.00 0.12 -4.75 119.66 121.40 1ie5 s GLN 96 Ca -0.11 -0.88 -0.23 0.00 -2.00 0.00 0.00 55.36 52.14 1ie5 s GLN 96 Cb -0.02 0.58 0.05 0.00 0.80 0.00 0.00 33.01 34.42 1ie5 s GLN 96 CO 0.04 -0.71 0.54 0.16 -0.50 0.00 0.00 175.29 174.82 1ie5 s ASP 97 N -2.88 -0.46 0.33 6.67 -4.77 -1.26 -0.94 116.67 113.35 1ie5 s ASP 97 Ca 0.10 0.20 -0.02 0.00 -3.30 0.00 0.00 52.55 49.53 1ie5 s ASP 97 Cb -0.04 0.50 -0.00 0.00 -1.09 0.00 0.00 42.92 42.29 1ie5 s ASP 97 CO 0.01 -0.73 0.43 0.00 0.70 0.00 0.00 175.17 175.58 1ie5 s ALA 98 N -2.44 0.86 -0.17 2.11 0.00 -0.03 -4.86 121.76 117.24 1ie5 s ALA 98 Ca -0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.22 1ie5 s ALA 98 Cb -0.01 1.20 0.05 0.00 0.00 0.00 0.00 23.12 24.37 1ie5 s ALA 98 CO -0.02 -0.77 0.43 0.99 0.00 0.00 0.00 175.76 176.39 1ie5 s THR 99 N -3.23 -0.01 -0.03 0.00 2.01 -1.26 -0.93 115.64 112.20 1ie5 s THR 99 Ca 0.32 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.41 1ie5 s THR 99 Cb 0.00 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ie5 s THR 99 CO 0.20 0.01 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.32 1ie5 s ILE 100 N 0.71 2.61 -0.39 1.82 1.01 -0.74 -4.78 121.20 121.43 1ie5 s ILE 100 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1ie5 s ILE 100 Cb -0.05 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.47 1ie5 s ILE 100 CO -0.05 0.55 0.24 -1.00 0.00 0.00 0.00 174.94 174.68 1ie5 s HIS 101 N -0.71 3.26 -0.52 3.97 3.76 -0.55 -0.41 115.29 124.09 1ie5 s HIS 101 Ca 0.11 -1.02 -0.18 0.00 -0.15 0.00 0.00 55.06 53.82 1ie5 s HIS 101 Cb -0.10 -2.59 0.08 0.00 1.11 0.00 0.00 32.58 31.08 1ie5 s HIS 101 CO 0.00 -0.69 0.56 -1.17 -0.85 0.00 0.00 174.74 172.60 1ie5 s LEU 102 N 1.55 5.34 0.12 0.89 2.96 -0.35 -0.71 118.68 128.47 1ie5 s LEU 102 Ca 0.02 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.56 1ie5 s LEU 102 Cb -0.20 -2.32 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 1ie5 s LEU 102 CO 0.06 -0.86 0.58 -0.54 -1.32 0.00 0.00 176.35 174.28 1ie5 s LYS 103 N 2.27 4.14 -0.15 1.98 1.02 -0.16 -2.34 119.74 126.50 1ie5 s LYS 103 Ca 0.10 0.68 -0.04 0.00 0.02 0.00 0.00 55.97 56.73 1ie5 s LYS 103 Cb -0.22 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.05 1ie5 s LYS 103 CO 0.09 0.56 0.10 0.08 -0.92 0.00 0.00 175.35 175.25 1ie5 s VAL 104 N -1.28 -0.11 -0.09 3.17 1.01 -1.26 -2.20 120.40 119.64 1ie5 s VAL 104 Ca 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1ie5 s VAL 104 Cb -0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1ie5 s VAL 104 CO 0.19 -0.19 0.08 0.72 0.00 0.00 0.00 175.10 175.91 1ie5 s PHE 105 N 2.16 3.39 -0.25 5.22 -0.71 -0.59 -4.87 117.98 122.33 1ie5 s PHE 105 Ca 0.03 0.35 -0.03 0.00 -1.04 0.00 0.00 56.93 56.24 1ie5 s PHE 105 Cb -0.15 -1.85 0.03 0.00 -1.21 0.00 0.00 43.02 39.84 1ie5 s PHE 105 CO -0.08 0.61 2.61 0.00 -1.34 0.00 0.00 175.22 177.01 1ie5 n ALA 106 N 1.88 5.66 -0.90 1.99 0.00 -1.26 -0.68 120.51 127.20 1ie5 n ALA 106 Ca -0.18 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1ie5 n ALA 106 Cb 0.54 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1ie5 n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13