#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 1.26 0.00 1.61 2.20 -1.26 -4.95 119.74 118.60 1ie5 s LYS 2 Ca 0.00 -0.53 0.24 0.00 -0.36 0.00 0.00 55.97 55.32 1ie5 s LYS 2 Cb 0.00 0.54 1.41 0.00 -1.51 0.00 0.00 37.83 38.27 1ie5 s LYS 2 CO 0.00 -0.56 1.87 -0.40 -0.36 0.00 0.00 175.35 175.90 1ie5 n ASP 3 N -0.37 0.00 0.06 1.43 5.75 -1.05 -3.63 116.55 118.74 1ie5 n ASP 3 Ca -0.13 -1.14 -0.02 0.00 -0.01 0.00 0.00 54.79 53.49 1ie5 n ASP 3 Cb 0.63 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.95 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 0.00 1.28 0.00 2.12 1.08 -1.97 -3.40 117.51 116.63 1ie5 h ILE 4 Ca 0.00 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1ie5 h ILE 4 Cb 0.00 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1ie5 h ILE 4 CO 0.00 0.42 -0.03 0.00 -0.69 0.00 0.00 178.15 177.85 1ie5 n GLN 5 N -4.08 0.00 -3.72 2.37 10.64 -1.26 -5.13 117.38 116.21 1ie5 n GLN 5 Ca -0.01 -0.10 -0.12 0.00 -1.83 0.00 0.00 57.00 54.94 1ie5 n GLN 5 Cb 0.43 0.05 -0.07 0.00 -0.86 0.00 0.00 30.24 29.80 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 0.07 -1.16 -0.39 1.01 -1.24 -5.10 120.40 113.60 1ie5 s VAL 6 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1ie5 s VAL 6 Cb 0.00 -0.96 0.12 0.00 0.00 0.00 0.00 36.38 35.53 1ie5 s VAL 6 CO 0.00 -0.33 1.47 -0.63 0.00 0.00 0.00 175.10 175.62 1ie5 s ILE 7 N -2.61 4.54 -0.36 2.22 1.01 -1.26 -4.13 121.20 120.61 1ie5 s ILE 7 Ca -0.05 -1.97 0.02 0.00 0.00 0.00 0.00 60.65 58.66 1ie5 s ILE 7 Cb -0.01 -5.00 0.15 0.00 0.01 0.00 0.00 42.46 37.62 1ie5 s ILE 7 CO -0.04 -1.77 0.33 -0.69 0.00 0.00 0.00 174.94 172.77 1ie5 s VAL 8 N 3.06 -0.21 -0.14 2.92 1.01 -1.26 -5.03 120.40 120.76 1ie5 s VAL 8 Ca 0.45 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1ie5 s VAL 8 Cb -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ie5 s VAL 8 CO -0.01 -0.69 1.13 0.54 0.00 0.00 0.00 175.10 176.07 1ie5 s ASN 9 N 1.35 7.08 -0.18 3.32 2.20 -1.26 -2.52 114.94 124.94 1ie5 s ASN 9 Ca 0.17 1.61 -0.14 0.00 -0.94 0.00 0.00 52.86 53.56 1ie5 s ASN 9 Cb -0.17 -2.55 -0.05 0.00 -2.00 0.00 0.00 41.25 36.48 1ie5 s ASN 9 CO -0.03 -0.62 0.28 -0.69 -2.94 0.00 0.00 177.10 173.11 1ie5 s VAL 10 N 2.74 5.30 1.05 3.54 1.01 0.09 -4.81 120.40 129.32 1ie5 s VAL 10 Ca 0.51 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 1ie5 s VAL 10 Cb -0.20 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1ie5 s VAL 10 CO 0.15 0.36 0.65 -2.65 0.00 0.00 0.00 175.10 173.61 1ie5 n PRO 11 N 3.83 -1.26 -1.57 2.72 -0.02 -1.26 -3.28 135.00 134.17 1ie5 n PRO 11 Ca -0.12 -0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 60.70 1ie5 n PRO 11 Cb 0.52 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 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 -4.03 2.48 -0.34 0.52 0.02 -1.26 -4.51 135.00 127.89 1ie5 s PRO 12 Ca 0.62 1.46 0.16 0.00 0.02 0.00 0.00 61.00 63.27 1ie5 s PRO 12 Cb -0.20 -1.90 0.45 0.00 0.02 0.00 0.00 34.50 32.86 1ie5 s PRO 12 CO 0.64 -1.51 0.96 0.43 -0.33 0.00 0.00 177.00 177.20 1ie5 n SER 13 N -2.71 1.82 -4.73 2.53 7.64 -0.14 -4.62 113.62 113.41 1ie5 n SER 13 Ca 0.11 -2.84 -0.41 0.00 1.01 0.00 0.00 58.87 56.74 1ie5 n SER 13 Cb 0.52 -0.52 -0.03 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 -3.39 3.63 -0.01 0.44 0.11 -1.26 -4.15 120.40 115.78 1ie5 s VAL 14 Ca 0.30 1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 60.63 1ie5 s VAL 14 Cb 0.45 -3.84 -0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1ie5 s VAL 14 CO 0.01 0.18 0.05 -0.13 -3.33 0.00 0.00 175.10 171.88 1ie5 s ARG 15 N 0.13 0.19 -0.51 1.54 0.52 -0.22 -4.34 118.95 116.27 1ie5 s ARG 15 Ca 0.55 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.32 1ie5 s ARG 15 Cb -0.32 0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.26 1ie5 s ARG 15 CO 0.35 -0.04 1.14 0.00 0.02 0.00 0.00 175.30 176.78 1ie5 s ALA 16 N -0.54 3.11 0.17 2.13 0.00 -1.26 -0.98 121.76 124.38 1ie5 s ALA 16 Ca -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1ie5 s ALA 16 Cb -0.04 -3.93 0.03 0.00 0.00 0.00 0.00 23.12 19.19 1ie5 s ALA 16 CO 0.00 -2.38 1.42 -0.09 0.00 0.00 0.00 175.76 174.71 1ie5 h ARG 17 N 9.33 0.44 0.00 0.00 2.43 -1.77 -3.45 114.38 121.37 1ie5 h ARG 17 Ca -0.24 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.50 1ie5 h ARG 17 Cb 1.06 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1ie5 h ARG 17 CO 1.14 1.00 -0.02 1.04 -1.51 0.00 0.00 179.97 181.63 1ie5 n GLN 18 N -3.85 1.03 0.00 0.20 1.13 -1.05 -5.01 117.38 109.83 1ie5 n GLN 18 Ca -0.05 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.56 1ie5 n GLN 18 Cb 0.71 -0.02 0.00 0.00 0.11 0.00 0.00 30.24 31.05 1ie5 n GLN 18 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ie5 n SER 19 N -2.72 0.00 -3.29 1.08 3.41 -1.26 -4.81 113.62 106.04 1ie5 n SER 19 Ca 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.59 1ie5 n SER 19 Cb 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1ie5 n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ie5 s THR 20 N -1.00 -0.78 0.41 6.66 2.01 -1.26 -2.50 115.64 119.18 1ie5 s THR 20 Ca 0.00 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1ie5 s THR 20 Cb 0.00 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 1ie5 s THR 20 CO 0.00 -0.06 0.59 -0.04 -0.69 0.00 0.00 174.62 174.42 1ie5 s MET 21 N 2.69 3.00 0.08 4.92 1.00 0.00 -4.96 119.30 126.03 1ie5 s MET 21 Ca 0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 55.69 54.98 1ie5 s MET 21 Cb -0.15 -2.68 -0.02 0.00 0.00 0.00 0.00 34.83 31.98 1ie5 s MET 21 CO -0.18 -0.18 0.10 -0.80 0.00 0.00 0.00 175.02 173.95 1ie5 s ASN 22 N -4.24 0.28 -0.00 3.03 -0.87 -1.26 -1.60 114.94 110.28 1ie5 s ASN 22 Ca 0.49 -0.85 -0.29 0.00 -1.57 0.00 0.00 52.86 50.64 1ie5 s ASN 22 Cb -0.10 0.29 0.08 0.00 -0.02 0.00 0.00 41.25 41.50 1ie5 s ASN 22 CO 0.35 -0.69 0.72 0.00 -2.57 0.00 0.00 177.10 174.91 1ie5 s ALA 23 N -3.90 -1.75 -0.68 0.60 0.00 -1.24 -4.99 121.76 109.80 1ie5 s ALA 23 Ca 0.08 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 1ie5 s ALA 23 Cb 0.06 0.18 0.16 0.00 0.00 0.00 0.00 23.12 23.52 1ie5 s ALA 23 CO -0.09 -0.49 0.68 0.99 0.00 0.00 0.00 175.76 176.85 1ie5 s THR 24 N -2.02 5.23 0.51 0.00 2.01 -1.26 -2.22 115.64 117.89 1ie5 s THR 24 Ca -0.05 -1.73 -0.21 0.00 0.31 0.00 0.00 61.69 60.00 1ie5 s THR 24 Cb -0.00 -4.45 -0.09 0.00 0.01 0.00 0.00 72.50 67.97 1ie5 s THR 24 CO 0.01 -1.02 0.85 0.00 -0.69 0.00 0.00 174.62 173.76 1ie5 n ALA 25 N 5.13 -0.27 -0.97 7.40 0.00 0.35 -3.64 120.51 128.51 1ie5 n ALA 25 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ie5 n ALA 25 Cb 0.44 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1ie5 n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ie5 n ASN 26 N 0.20 -1.45 -0.12 0.00 2.85 -0.67 -4.80 115.26 111.27 1ie5 n ASN 26 Ca 0.11 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.73 1ie5 n ASN 26 Cb 0.43 -0.51 0.71 0.00 1.24 0.00 0.00 39.78 41.66 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 0.00 0.42 -1.54 1.20 4.77 -1.24 -4.95 117.00 115.66 1ie5 n LEU 27 Ca 0.00 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1ie5 n LEU 27 Cb 0.02 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1ie5 n LEU 27 CO 0.00 0.07 -0.18 -1.20 -1.33 0.00 0.00 177.39 174.75 1ie5 n SER 28 N -0.86 -4.81 -4.08 -1.43 7.64 -1.26 -5.02 113.62 103.79 1ie5 n SER 28 Ca 0.18 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 1ie5 n SER 28 Cb 0.24 -3.83 0.19 0.00 -1.01 0.00 0.00 64.21 59.80 1ie5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ie5 s GLN 29 N -4.13 0.55 0.17 1.43 0.00 -1.26 -4.49 119.66 111.93 1ie5 s GLN 29 Ca 0.00 -0.46 0.11 0.00 -0.00 0.00 0.00 55.36 55.01 1ie5 s GLN 29 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 33.01 31.12 1ie5 s GLN 29 CO 0.00 -2.47 -0.22 -1.54 0.00 0.00 0.00 175.29 171.06 1ie5 s SER 30 N -4.92 3.58 -0.01 12.60 1.04 -1.26 -1.28 113.70 123.45 1ie5 s SER 30 Ca 0.75 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1ie5 s SER 30 Cb -0.03 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.75 1ie5 s SER 30 CO 0.53 0.13 -0.00 -0.69 0.98 0.00 0.00 173.24 174.19 1ie5 s VAL 31 N -1.53 0.06 0.05 5.02 1.01 0.17 -5.00 120.40 120.18 1ie5 s VAL 31 Ca 0.20 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1ie5 s VAL 31 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1ie5 s VAL 31 CO 0.10 0.05 -0.13 -0.89 0.00 0.00 0.00 175.10 174.23 1ie5 s THR 32 N 0.33 3.17 0.22 3.92 2.01 -1.26 -0.59 115.64 123.44 1ie5 s THR 32 Ca -0.03 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 1ie5 s THR 32 Cb -0.05 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1ie5 s THR 32 CO -0.01 0.30 0.55 -1.48 -0.69 0.00 0.00 174.62 173.29 1ie5 s LEU 33 N -1.62 0.07 -0.10 4.42 2.34 -0.88 -5.02 118.68 117.91 1ie5 s LEU 33 Ca 0.17 -0.60 -0.30 0.00 0.06 0.00 0.00 54.13 53.46 1ie5 s LEU 33 Cb -0.11 2.16 0.08 0.00 -0.56 0.00 0.00 46.19 47.76 1ie5 s LEU 33 CO 0.08 -1.12 0.73 0.00 -1.06 0.00 0.00 176.35 174.98 1ie5 s ALA 34 N -3.91 -1.79 -0.29 1.48 0.00 -1.26 -1.25 121.76 114.74 1ie5 s ALA 34 Ca 0.12 1.45 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 1ie5 s ALA 34 Cb -0.02 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.94 1ie5 s ALA 34 CO 0.01 -0.36 0.15 0.00 0.00 0.00 0.00 175.76 175.56 1ie5 s ASP 36 N 2.13 7.08 0.17 0.00 -4.77 -0.15 -4.08 116.67 117.05 1ie5 s ASP 36 Ca 0.09 1.30 0.04 0.00 -3.30 0.00 0.00 52.55 50.68 1ie5 s ASP 36 Cb -0.16 -2.43 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 1ie5 s ASP 36 CO -0.36 -0.03 0.19 0.00 0.70 0.00 0.00 175.17 175.67 1ie5 s ALA 37 N 0.30 3.69 0.10 2.11 0.00 -1.00 -1.05 121.76 125.91 1ie5 s ALA 37 Ca 0.37 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 1ie5 s ALA 37 Cb -0.19 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.52 1ie5 s ALA 37 CO 0.20 0.49 0.64 0.34 0.00 0.00 0.00 175.76 177.43 1ie5 s ASP 38 N -3.22 -0.57 0.00 0.00 2.15 -1.26 -4.83 116.67 108.94 1ie5 s ASP 38 Ca 0.32 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1ie5 s ASP 38 Cb -0.10 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1ie5 s ASP 38 CO 0.25 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 1ie5 n GLY 39 N -0.11 1.74 2.78 2.66 0.00 -1.26 -0.96 105.19 110.03 1ie5 n GLY 39 Ca -0.17 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 1ie5 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ie5 s PHE 40 N -2.00 -0.49 0.67 1.61 0.08 -1.20 -3.03 117.98 113.61 1ie5 s PHE 40 Ca 0.00 -0.30 -0.16 0.00 0.12 0.00 0.00 56.93 56.59 1ie5 s PHE 40 Cb 0.00 -0.40 0.00 0.00 -0.57 0.00 0.00 43.02 42.05 1ie5 s PHE 40 CO 0.00 -0.95 1.20 -2.14 -0.10 0.00 0.00 175.22 173.23 1ie5 s PRO 41 N 2.11 2.56 0.33 0.24 0.02 -1.26 -0.73 135.00 138.27 1ie5 s PRO 41 Ca 0.12 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 62.61 1ie5 s PRO 41 Cb -0.14 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 1ie5 s PRO 41 CO -0.24 -1.51 1.02 -0.85 -0.33 0.00 0.00 177.00 175.09 1ie5 n GLU 42 N -2.23 1.41 -2.60 5.54 0.28 -1.17 -4.90 120.64 116.97 1ie5 n GLU 42 Ca 0.13 0.50 -0.24 0.00 -0.16 0.00 0.00 57.16 57.39 1ie5 n GLU 42 Cb 0.50 -1.93 0.03 0.00 1.43 0.00 0.00 31.44 31.47 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 -1.70 2.78 -0.20 3.44 0.04 -1.26 -4.95 135.00 133.14 1ie5 s PRO 43 Ca 0.59 -0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.18 1ie5 s PRO 43 Cb -0.65 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 1ie5 s PRO 43 CO 0.59 -0.65 0.13 0.99 0.04 0.00 0.00 177.00 178.11 1ie5 s THR 44 N -2.84 5.41 0.04 1.26 2.01 0.12 -4.94 115.64 116.69 1ie5 s THR 44 Ca 0.54 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1ie5 s THR 44 Cb -0.10 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1ie5 s THR 44 CO 0.41 0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 174.74 1ie5 s MET 45 N 0.39 0.50 0.22 4.92 0.23 -1.26 -0.65 119.30 123.65 1ie5 s MET 45 Ca 0.08 -0.91 -0.15 0.00 -1.03 0.00 0.00 55.69 53.68 1ie5 s MET 45 Cb -0.11 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 33.25 1ie5 s MET 45 CO -0.02 -0.05 0.48 0.95 -2.03 0.00 0.00 175.02 174.35 1ie5 s THR 46 N -2.52 0.02 0.13 3.16 -4.23 -0.45 -4.96 115.64 106.79 1ie5 s THR 46 Ca -0.04 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.15 1ie5 s THR 46 Cb -0.02 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1ie5 s THR 46 CO -0.04 -0.09 0.42 -1.66 -0.54 0.00 0.00 174.62 172.71 1ie5 s TRP 47 N -3.95 -0.21 0.20 3.99 1.48 -1.26 -1.10 118.94 118.09 1ie5 s TRP 47 Ca 0.16 -0.10 0.11 0.00 -1.06 0.00 0.00 56.10 55.20 1ie5 s TRP 47 Cb -0.01 0.28 -0.04 0.00 -1.16 0.00 0.00 33.47 32.54 1ie5 s TRP 47 CO 0.03 -0.72 -0.22 0.95 -4.06 0.00 0.00 176.95 172.93 1ie5 s THR 48 N -3.81 2.27 -0.93 0.66 -4.23 -0.70 -0.40 115.64 108.50 1ie5 s THR 48 Ca 0.03 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1ie5 s THR 48 Cb 0.02 -2.10 0.34 0.00 1.34 0.00 0.00 72.50 72.09 1ie5 s THR 48 CO -0.11 -0.20 1.90 1.17 -0.54 0.00 0.00 174.62 176.83 1ie5 n LYS 49 N 0.12 4.10 -0.22 3.99 4.81 0.65 -3.70 118.16 127.91 1ie5 n LYS 49 Ca -0.11 -4.12 0.00 0.00 -0.87 0.00 0.00 58.31 53.21 1ie5 n LYS 49 Cb 0.57 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 -0.30 0.00 0.00 3.14 2.03 -1.09 -4.31 116.55 116.02 1ie5 n ASP 50 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1ie5 n ASP 50 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -2.00 0.12 3.91 0.27 0.00 -1.26 -4.94 105.19 101.29 1ie5 n GLY 51 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 3.59 0.38 1.61 -1.05 -1.26 -5.01 118.70 116.96 1ie5 s GLU 52 Ca 0.00 -0.15 -0.22 0.00 -0.15 0.00 0.00 54.97 54.45 1ie5 s GLU 52 Cb 0.00 -2.83 -0.10 0.00 -0.44 0.00 0.00 34.13 30.76 1ie5 s GLU 52 CO 0.00 0.43 0.92 -1.25 0.95 0.00 0.00 175.26 176.31 1ie5 s PRO 53 N -2.91 4.31 -0.39 -4.83 0.04 -1.26 -0.25 135.00 129.70 1ie5 s PRO 53 Ca 0.41 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1ie5 s PRO 53 Cb -0.12 -2.40 0.49 0.00 0.04 0.00 0.00 34.50 32.52 1ie5 s PRO 53 CO 0.26 0.09 1.55 -0.89 0.04 0.00 0.00 177.00 178.05 1ie5 n ILE 54 N -0.23 2.84 -2.62 0.56 5.41 0.46 -4.82 119.36 120.96 1ie5 n ILE 54 Ca 0.05 -3.15 -0.43 0.00 1.00 0.00 0.00 62.75 60.22 1ie5 n ILE 54 Cb 0.53 -0.75 -0.02 0.00 -0.71 0.00 0.00 39.64 38.69 1ie5 n ILE 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ie5 s GLU 55 N -3.48 4.04 0.00 0.38 -1.05 -1.26 -4.68 118.70 112.65 1ie5 s GLU 55 Ca 0.52 1.06 0.14 0.00 -0.15 0.00 0.00 54.97 56.54 1ie5 s GLU 55 Cb 0.44 -3.75 0.81 0.00 -0.44 0.00 0.00 34.13 31.18 1ie5 s GLU 55 CO 0.01 -0.94 1.23 1.04 0.95 0.00 0.00 175.26 177.56 1ie5 n GLN 56 N 6.95 0.49 0.07 -4.83 1.13 -1.26 -1.06 117.38 118.87 1ie5 n GLN 56 Ca 0.12 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.31 1ie5 n GLN 56 Cb 0.47 -1.43 0.48 0.00 0.11 0.00 0.00 30.24 29.87 1ie5 n GLN 56 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ie5 n GLU 57 N -0.93 0.16 0.00 -1.09 -0.58 -1.26 -4.37 120.64 112.56 1ie5 n GLU 57 Ca 0.10 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1ie5 n GLU 57 Cb 0.05 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1ie5 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ie5 n ASP 58 N -1.97 0.00 -3.68 1.62 2.03 -0.71 -5.09 116.55 108.74 1ie5 n ASP 58 Ca 0.06 -0.70 -0.28 0.00 0.52 0.00 0.00 54.79 54.39 1ie5 n ASP 58 Cb 0.37 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.61 1ie5 n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ie5 s ASN 59 N 0.00 2.95 0.00 1.67 0.01 -0.22 -4.95 114.94 114.39 1ie5 s ASN 59 Ca 0.00 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 1ie5 s ASN 59 Cb 0.00 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.16 1ie5 s ASN 59 CO 0.00 -0.34 0.33 1.21 -1.51 0.00 0.00 177.10 176.79 1ie5 n GLU 60 N 5.11 0.00 -0.32 -0.60 2.13 -1.26 -4.03 120.64 121.67 1ie5 n GLU 60 Ca -0.07 -0.27 0.31 0.00 0.66 0.00 0.00 57.16 57.79 1ie5 n GLU 60 Cb 0.47 -0.22 0.58 0.00 0.27 0.00 0.00 31.44 32.54 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 0.02 -0.08 5.31 4.39 -2.01 -2.96 114.58 119.25 1ie5 h GLU 61 Ca 0.00 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1ie5 h GLU 61 Cb 1.04 -0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.51 1ie5 h GLU 61 CO 0.00 0.01 -0.40 0.36 -1.16 0.00 0.00 179.01 177.82 1ie5 n LYS 62 N -5.25 1.26 -3.60 2.33 2.85 -1.26 -5.11 118.16 109.37 1ie5 n LYS 62 Ca 0.38 -1.79 -0.10 0.00 -1.05 0.00 0.00 58.31 55.74 1ie5 n LYS 62 Cb 1.27 -0.03 -0.06 0.00 -0.65 0.00 0.00 35.03 35.56 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 -0.14 -0.42 -0.06 5.58 -0.85 -1.12 -1.29 117.35 119.06 1ie5 s TYR 63 Ca 0.19 0.84 -0.13 0.00 -0.52 0.00 0.00 57.07 57.45 1ie5 s TYR 63 Cb 0.42 0.42 0.03 0.00 0.38 0.00 0.00 41.96 43.20 1ie5 s TYR 63 CO -0.09 -0.31 0.31 -1.12 -1.52 0.00 0.00 175.55 172.81 1ie5 s SER 64 N -0.63 -0.24 0.28 -0.18 0.01 -0.78 -4.56 113.70 107.60 1ie5 s SER 64 Ca -0.00 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.63 1ie5 s SER 64 Cb -0.02 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1ie5 s SER 64 CO -0.01 -0.30 0.23 2.22 0.41 0.00 0.00 173.24 175.79 1ie5 n PHE 65 N 1.98 -0.64 -2.85 2.43 -1.74 -1.26 -1.33 117.46 114.05 1ie5 n PHE 65 Ca -0.18 -2.33 -0.05 0.00 -0.56 0.00 0.00 57.45 54.33 1ie5 n PHE 65 Cb 0.57 0.24 0.02 0.00 1.52 0.00 0.00 39.48 41.82 1ie5 n PHE 65 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1ie5 n ASN 66 N -1.90 0.48 0.16 5.98 0.23 -1.26 -5.00 115.26 113.95 1ie5 n ASN 66 Ca 0.06 -1.36 0.13 0.00 -0.53 0.00 0.00 54.58 52.88 1ie5 n ASN 66 Cb 0.50 -0.12 0.34 0.00 -2.08 0.00 0.00 39.78 38.42 1ie5 n ASN 66 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1ie5 h TYR 67 N -0.09 0.00 -0.00 -2.53 0.05 -2.02 -2.69 116.97 109.69 1ie5 h TYR 67 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1ie5 h TYR 67 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1ie5 h TYR 67 CO 0.00 0.00 -0.18 -0.25 -1.05 0.00 0.00 178.16 176.68 1ie5 n ASP 68 N -2.61 0.58 -0.57 3.88 8.00 -1.26 -4.95 116.55 119.62 1ie5 n ASP 68 Ca 0.05 -0.54 -0.07 0.00 0.71 0.00 0.00 54.79 54.93 1ie5 n ASP 68 Cb 0.45 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 1.33 0.88 0.00 0.44 0.00 -1.01 -2.39 105.19 104.44 1ie5 n GLY 69 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.33 0.00 -4.58 1.61 3.41 -1.26 -4.64 113.62 107.83 1ie5 n SER 70 Ca -0.07 0.24 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 1ie5 n SER 70 Cb 0.38 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.84 3.01 -0.34 4.33 0.41 -1.26 -3.52 118.70 120.49 1ie5 s GLU 71 Ca 0.00 -1.44 -0.29 0.00 -0.41 0.00 0.00 54.97 52.83 1ie5 s GLU 71 Cb 0.00 -5.34 0.02 0.00 -1.78 0.00 0.00 34.13 27.02 1ie5 s GLU 71 CO 0.00 -3.38 1.12 -1.17 -0.49 0.00 0.00 175.26 171.35 1ie5 s LEU 72 N 8.65 3.87 -0.24 1.80 2.96 -0.38 -4.09 118.68 131.25 1ie5 s LEU 72 Ca 0.63 0.97 -0.12 0.00 -0.22 0.00 0.00 54.13 55.40 1ie5 s LEU 72 Cb 0.01 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1ie5 s LEU 72 CO 0.11 -0.98 0.21 -0.63 -1.32 0.00 0.00 176.35 173.74 1ie5 s ILE 73 N 3.91 5.32 -0.17 6.68 1.01 -0.44 -2.06 121.20 135.44 1ie5 s ILE 73 Ca 0.48 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1ie5 s ILE 73 Cb -0.12 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1ie5 s ILE 73 CO 0.19 0.31 -0.10 -0.63 0.00 0.00 0.00 174.94 174.71 1ie5 s ILE 74 N 1.24 3.09 0.28 2.92 1.01 0.24 -1.87 121.20 128.10 1ie5 s ILE 74 Ca 0.10 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1ie5 s ILE 74 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1ie5 s ILE 74 CO 0.06 0.49 0.40 -1.59 0.00 0.00 0.00 174.94 174.30 1ie5 s LYS 75 N 0.89 3.31 -1.07 2.79 -2.85 -0.41 -0.65 119.74 121.75 1ie5 s LYS 75 Ca -0.02 -0.86 -0.00 0.00 -1.00 0.00 0.00 55.97 54.08 1ie5 s LYS 75 Cb -0.15 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 1ie5 s LYS 75 CO 0.00 0.29 0.89 1.17 0.10 0.00 0.00 175.35 177.80 1ie5 n LYS 76 N -1.49 -5.92 -2.22 1.78 3.00 -0.40 -4.85 118.16 108.06 1ie5 n LYS 76 Ca -0.06 0.75 -0.40 0.00 -0.00 0.00 0.00 58.31 58.60 1ie5 n LYS 76 Cb 0.57 -5.49 -0.03 0.00 0.00 0.00 0.00 35.03 30.09 1ie5 n LYS 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ie5 s VAL 77 N -3.32 2.94 0.36 3.15 1.01 -1.23 -4.93 120.40 118.38 1ie5 s VAL 77 Ca 0.01 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 1ie5 s VAL 77 Cb -0.01 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1ie5 s VAL 77 CO 0.65 0.22 0.51 -0.62 0.00 0.00 0.00 175.10 175.85 1ie5 s ASP 78 N -0.62 0.93 0.54 3.32 -1.08 -1.26 -1.68 116.67 116.82 1ie5 s ASP 78 Ca 0.48 -1.49 0.36 0.00 -0.52 0.00 0.00 52.55 51.38 1ie5 s ASP 78 Cb -0.37 0.69 1.85 0.00 -1.46 0.00 0.00 42.92 43.63 1ie5 s ASP 78 CO 0.49 -1.35 2.10 0.11 0.52 0.00 0.00 175.17 177.04 1ie5 h LYS 79 N 2.08 0.00 0.00 4.34 1.57 -1.93 -0.89 116.57 121.74 1ie5 h LYS 79 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ie5 h LYS 79 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ie5 h LYS 79 CO 0.39 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.14 1ie5 n SER 80 N -2.84 0.00 -0.46 0.86 3.41 -1.26 -3.34 113.62 110.00 1ie5 n SER 80 Ca -0.02 0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1ie5 n SER 80 Cb 0.12 -0.33 0.38 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.33 1.56 -4.69 4.04 8.00 -0.34 -4.90 116.55 118.90 1ie5 n ASP 81 Ca 0.10 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 1ie5 n ASP 81 Cb 0.21 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.02 2.70 -3.55 -1.24 2.13 -1.21 -4.88 120.64 114.62 1ie5 n GLU 82 Ca 0.15 0.98 -0.16 0.00 0.66 0.00 0.00 57.16 58.80 1ie5 n GLU 82 Cb 0.39 -2.87 -0.06 0.00 0.27 0.00 0.00 31.44 29.18 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 2.76 -1.55 -0.57 4.31 0.00 -0.70 -4.90 121.76 121.11 1ie5 s ALA 83 Ca 0.83 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 53.68 1ie5 s ALA 83 Cb -0.51 0.19 0.15 0.00 0.00 0.00 0.00 23.12 22.95 1ie5 s ALA 83 CO 0.39 -0.43 0.43 -2.00 0.00 0.00 0.00 175.76 174.14 1ie5 s GLU 84 N -1.77 2.63 -1.36 0.00 2.12 -1.26 -1.14 118.70 117.93 1ie5 s GLU 84 Ca -0.09 -2.11 -0.16 0.00 0.36 0.00 0.00 54.97 52.98 1ie5 s GLU 84 Cb -0.01 -3.92 0.07 0.00 0.26 0.00 0.00 34.13 30.53 1ie5 s GLU 84 CO 0.04 -1.19 1.93 0.66 -0.54 0.00 0.00 175.26 176.16 1ie5 n TYR 85 N 4.31 4.15 -2.39 5.30 4.01 -0.18 -2.68 117.16 129.69 1ie5 n TYR 85 Ca 0.01 -2.92 -0.42 0.00 -0.16 0.00 0.00 57.90 54.41 1ie5 n TYR 85 Cb 0.41 -2.56 -0.03 0.00 -0.31 0.00 0.00 39.34 36.85 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 3.55 4.08 0.00 -0.72 1.01 -1.24 -0.78 121.20 127.09 1ie5 s ILE 86 Ca 0.50 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.64 1ie5 s ILE 86 Cb 0.08 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1ie5 s ILE 86 CO 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 174.94 174.77 1ie5 s ILE 88 N -0.80 0.33 0.02 0.00 1.09 -0.26 -0.87 121.20 120.71 1ie5 s ILE 88 Ca 0.13 -0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 59.11 1ie5 s ILE 88 Cb -0.10 -0.35 -0.02 0.00 -1.06 0.00 0.00 42.46 40.93 1ie5 s ILE 88 CO 0.02 -0.16 0.01 0.00 -0.10 0.00 0.00 174.94 174.72 1ie5 s ALA 89 N -0.70 0.07 -0.09 9.38 0.00 -0.01 -1.35 121.76 129.06 1ie5 s ALA 89 Ca -0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1ie5 s ALA 89 Cb -0.05 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1ie5 s ALA 89 CO -0.00 -0.21 0.30 -2.00 0.00 0.00 0.00 175.76 173.85 1ie5 s GLU 90 N -1.87 0.42 0.10 0.00 2.12 0.18 -0.72 118.70 118.93 1ie5 s GLU 90 Ca -0.12 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1ie5 s GLU 90 Cb -0.07 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.52 1ie5 s GLU 90 CO -0.02 -0.07 0.12 0.27 -0.54 0.00 0.00 175.26 175.02 1ie5 n ASN 91 N 2.56 -0.34 0.29 -1.70 6.94 -0.29 -0.71 115.26 122.01 1ie5 n ASN 91 Ca -0.15 -1.56 0.16 0.00 -0.02 0.00 0.00 54.58 53.01 1ie5 n ASN 91 Cb 0.57 0.66 0.86 0.00 -2.36 0.00 0.00 39.78 39.51 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 -3.09 116.57 107.72 1ie5 h LYS 92 Ca -0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 60.37 1ie5 h LYS 92 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.53 1ie5 h LYS 92 CO 0.10 0.06 -1.59 0.00 -0.00 0.00 0.00 179.45 178.03 1ie5 n ALA 93 N -2.22 1.82 0.00 0.07 0.00 -1.26 -5.09 120.51 113.84 1ie5 n ALA 93 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1ie5 n ALA 93 Cb 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.46 -0.57 3.24 0.00 0.00 -1.17 -4.65 105.19 103.50 1ie5 n GLY 94 Ca -0.13 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.60 0.65 0.19 1.61 2.12 -1.26 -1.14 118.70 120.27 1ie5 s GLU 95 Ca 0.00 -0.16 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 1ie5 s GLU 95 Cb 0.00 0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.70 1ie5 s GLU 95 CO 0.00 -0.18 0.48 -1.14 -0.54 0.00 0.00 175.26 173.88 1ie5 s GLN 96 N -1.26 1.36 0.05 4.30 2.00 0.10 -4.79 119.66 121.42 1ie5 s GLN 96 Ca -0.13 -0.96 -0.24 0.00 -2.00 0.00 0.00 55.36 52.04 1ie5 s GLN 96 Cb -0.05 0.49 0.06 0.00 0.80 0.00 0.00 33.01 34.31 1ie5 s GLN 96 CO 0.04 -0.56 0.55 0.16 -0.50 0.00 0.00 175.29 174.98 1ie5 s ASP 97 N -2.90 -0.49 0.16 6.67 -4.77 -1.26 -0.83 116.67 113.24 1ie5 s ASP 97 Ca 0.12 0.22 -0.02 0.00 -3.30 0.00 0.00 52.55 49.57 1ie5 s ASP 97 Cb -0.00 0.52 0.01 0.00 -1.09 0.00 0.00 42.92 42.35 1ie5 s ASP 97 CO -0.01 -0.75 0.24 0.00 0.70 0.00 0.00 175.17 175.35 1ie5 n ALA 98 N 0.34 -0.26 -3.61 2.11 0.00 -0.05 -4.83 120.51 114.21 1ie5 n ALA 98 Ca -0.18 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.48 1ie5 n ALA 98 Cb 0.61 0.55 -0.10 0.00 0.00 0.00 0.00 19.45 20.51 1ie5 n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ie5 s THR 99 N -2.60 -0.01 0.55 0.00 2.01 -1.26 -0.90 115.64 113.42 1ie5 s THR 99 Ca 0.12 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1ie5 s THR 99 Cb -0.01 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1ie5 s THR 99 CO 0.08 0.02 0.36 -0.63 -0.69 0.00 0.00 174.62 173.77 1ie5 s ILE 100 N 1.18 1.54 0.09 1.82 1.01 0.04 -4.79 121.20 122.09 1ie5 s ILE 100 Ca -0.07 -1.55 -0.13 0.00 0.00 0.00 0.00 60.65 58.90 1ie5 s ILE 100 Cb -0.07 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1ie5 s ILE 100 CO -0.11 0.00 0.30 -2.28 0.00 0.00 0.00 174.94 172.85 1ie5 s HIS 101 N -2.80 -0.06 -0.17 3.97 2.46 -1.04 -1.01 115.29 116.64 1ie5 s HIS 101 Ca 0.30 -0.26 -0.05 0.00 0.47 0.00 0.00 55.06 55.52 1ie5 s HIS 101 Cb -0.02 0.11 0.08 0.00 -0.13 0.00 0.00 32.58 32.62 1ie5 s HIS 101 CO 0.19 -0.60 0.31 -1.17 -2.47 0.00 0.00 174.74 170.99 1ie5 s LEU 102 N -2.64 -0.39 -0.20 8.88 2.96 -0.29 -0.82 118.68 126.18 1ie5 s LEU 102 Ca 0.02 0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1ie5 s LEU 102 Cb 0.02 0.85 -0.02 0.00 0.50 0.00 0.00 46.19 47.54 1ie5 s LEU 102 CO -0.10 -0.26 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.13 1ie5 s LYS 103 N 2.46 3.62 -0.13 1.98 1.02 -0.63 -1.72 119.74 126.34 1ie5 s LYS 103 Ca 0.03 -0.52 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 1ie5 s LYS 103 Cb -0.13 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1ie5 s LYS 103 CO -0.11 0.02 -0.11 0.08 -0.92 0.00 0.00 175.35 174.31 1ie5 s VAL 104 N 0.97 3.21 0.49 3.17 1.01 -1.26 -3.61 120.40 124.37 1ie5 s VAL 104 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1ie5 s VAL 104 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1ie5 s VAL 104 CO 0.02 0.53 0.01 0.72 0.00 0.00 0.00 175.10 176.38 1ie5 s PHE 105 N 0.24 1.97 -0.11 5.22 -0.12 -0.94 -4.97 117.98 119.27 1ie5 s PHE 105 Ca -0.08 -0.90 0.20 0.00 -0.05 0.00 0.00 56.93 56.09 1ie5 s PHE 105 Cb -0.15 -1.65 0.38 0.00 -0.63 0.00 0.00 43.02 40.97 1ie5 s PHE 105 CO 0.05 0.25 1.17 0.00 -0.05 0.00 0.00 175.22 176.63 1ie5 n ALA 106 N -1.23 2.70 -1.34 1.99 0.00 -1.26 -0.49 120.51 120.88 1ie5 n ALA 106 Ca -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1ie5 n ALA 106 Cb 0.67 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1ie5 n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86