#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq5 s THR 5 N 0.00 2.45 0.19 1.96 -4.23 -1.26 -5.04 115.64 109.70 1iq5 s THR 5 Ca 0.00 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 1iq5 s THR 5 Cb 0.00 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1iq5 s THR 5 CO 0.00 -0.20 1.60 -0.08 -0.54 0.00 0.00 174.62 175.40 1iq5 h GLU 6 N 1.91 0.95 0.00 3.99 4.81 -2.06 -2.80 114.58 121.39 1iq5 h GLU 6 Ca -0.42 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.38 1iq5 h GLU 6 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1iq5 h GLU 6 CO 0.68 1.03 -0.26 0.93 -0.73 0.00 0.00 179.01 180.66 1iq5 h GLU 7 N 0.83 0.00 0.03 1.92 3.07 -1.99 -1.77 114.58 116.68 1iq5 h GLU 7 Ca 0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1iq5 h GLU 7 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1iq5 h GLU 7 CO 0.05 0.26 -0.01 0.37 -1.40 0.00 0.00 179.01 178.28 1iq5 h GLN 8 N 0.00 -0.04 -0.54 2.33 5.75 -1.93 -2.35 115.11 118.33 1iq5 h GLN 8 Ca -0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1iq5 h GLN 8 Cb 0.49 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 1iq5 h GLN 8 CO 0.03 0.43 0.25 0.82 -2.65 0.00 0.00 178.83 177.71 1iq5 h ILE 9 N -0.53 0.90 -0.69 2.39 1.08 -1.28 -1.48 117.51 117.90 1iq5 h ILE 9 Ca -0.00 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1iq5 h ILE 9 Cb 0.49 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 1iq5 h ILE 9 CO 0.01 0.09 0.43 0.00 -0.69 0.00 0.00 178.15 177.98 1iq5 h ALA 10 N 1.32 0.91 -0.38 1.87 0.00 -1.33 0.15 119.26 121.80 1iq5 h ALA 10 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1iq5 h ALA 10 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1iq5 h ALA 10 CO -0.21 0.19 0.23 1.49 0.00 0.00 0.00 179.25 180.96 1iq5 h GLU 11 N 0.84 0.52 -0.40 0.00 4.81 -0.78 -1.15 114.58 118.41 1iq5 h GLU 11 Ca 0.28 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1iq5 h GLU 11 Cb 0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1iq5 h GLU 11 CO -0.11 0.38 -0.08 0.74 -0.73 0.00 0.00 179.01 179.21 1iq5 h PHE 12 N 0.50 0.75 -0.14 0.92 0.05 -0.79 -1.64 116.94 116.59 1iq5 h PHE 12 Ca 0.14 -0.12 -0.00 0.00 3.82 0.00 0.00 57.97 61.81 1iq5 h PHE 12 Cb -0.00 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 37.74 1iq5 h PHE 12 CO -0.04 0.75 0.09 0.87 -0.18 0.00 0.00 178.31 179.80 1iq5 h LYS 13 N 0.64 0.19 0.00 1.51 1.57 -0.29 -0.70 116.57 119.48 1iq5 h LYS 13 Ca 0.12 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1iq5 h LYS 13 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1iq5 h LYS 13 CO 0.03 0.16 -0.46 1.05 -0.57 0.00 0.00 179.45 179.66 1iq5 h GLU 14 N 0.17 0.00 -0.13 3.15 4.11 -1.00 0.29 114.58 121.17 1iq5 h GLU 14 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1iq5 h GLU 14 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iq5 h GLU 14 CO -0.01 0.46 0.01 0.00 0.07 0.00 0.00 179.01 179.54 1iq5 h ALA 15 N 1.54 0.17 -0.74 1.06 0.00 -1.00 -2.08 119.26 118.21 1iq5 h ALA 15 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iq5 h ALA 15 Cb 0.83 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1iq5 h ALA 15 CO 0.06 -0.14 0.46 0.35 0.00 0.00 0.00 179.25 179.97 1iq5 h PHE 16 N -0.03 0.96 -0.16 0.00 3.04 -0.83 -2.53 116.94 117.40 1iq5 h PHE 16 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1iq5 h PHE 16 Cb 0.34 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1iq5 h PHE 16 CO 0.03 0.64 0.10 0.77 -2.02 0.00 0.00 178.31 177.83 1iq5 h SER 17 N 1.01 0.19 -0.99 0.41 0.02 -0.78 -0.01 113.55 113.40 1iq5 h SER 17 Ca 0.27 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1iq5 h SER 17 Cb -0.05 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 1iq5 h SER 17 CO -0.05 0.14 0.65 0.25 -1.14 0.00 0.00 176.83 176.68 1iq5 h LEU 18 N 0.22 1.07 0.11 5.07 5.85 -0.92 -3.13 115.31 123.58 1iq5 h LEU 18 Ca 0.06 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.47 1iq5 h LEU 18 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1iq5 h LEU 18 CO -0.01 0.72 -1.57 -0.26 -0.34 0.00 0.00 178.44 176.97 1iq5 h PHE 19 N 1.23 0.41 -0.28 1.25 -1.00 -1.47 -3.41 116.94 113.68 1iq5 h PHE 19 Ca 0.40 -0.30 -0.55 0.00 2.81 0.00 0.00 57.97 60.33 1iq5 h PHE 19 Cb 0.04 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1iq5 h PHE 19 CO -0.00 1.62 1.95 -3.47 -1.61 0.00 0.00 178.31 176.80 1iq5 n ASP 20 N -3.85 3.19 -0.06 2.17 2.03 -0.08 -4.72 116.55 115.23 1iq5 n ASP 20 Ca -0.28 -2.74 -0.07 0.00 0.52 0.00 0.00 54.79 52.22 1iq5 n ASP 20 Cb 0.92 -1.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.83 1iq5 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1iq5 h LYS 21 N 8.27 -0.12 -0.05 -0.67 1.79 -1.80 -2.06 116.57 121.93 1iq5 h LYS 21 Ca 0.37 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1iq5 h LYS 21 Cb 0.79 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1iq5 h LYS 21 CO 1.63 -0.08 0.00 -0.40 -1.08 0.00 0.00 179.45 179.52 1iq5 n ASP 22 N -5.32 0.74 -2.50 0.86 5.75 -1.26 -4.92 116.55 109.91 1iq5 n ASP 22 Ca -0.00 -1.42 -0.21 0.00 -0.01 0.00 0.00 54.79 53.14 1iq5 n ASP 22 Cb 0.23 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1iq5 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq5 n GLY 23 N 1.00 -0.50 0.55 6.12 0.00 -0.78 -4.88 105.19 106.70 1iq5 n GLY 23 Ca 0.18 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1iq5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iq5 n ASP 24 N -2.09 1.60 0.00 1.61 5.75 -1.26 -4.90 116.55 117.25 1iq5 n ASP 24 Ca -0.23 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1iq5 n ASP 24 Cb 0.68 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1iq5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq5 n GLY 25 N 1.01 0.78 3.06 6.12 0.00 -1.26 -5.03 105.19 109.86 1iq5 n GLY 25 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1iq5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iq5 s THR 26 N -2.90 0.49 -0.19 2.61 -4.23 -1.26 -4.03 115.64 106.13 1iq5 s THR 26 Ca 0.00 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1iq5 s THR 26 Cb 0.00 -0.63 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 1iq5 s THR 26 CO 0.00 -0.43 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.01 1iq5 s ILE 27 N -1.54 3.99 0.32 2.99 1.01 0.39 -4.69 121.20 123.67 1iq5 s ILE 27 Ca -0.09 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1iq5 s ILE 27 Cb -0.09 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1iq5 s ILE 27 CO -0.00 0.44 0.36 0.42 0.00 0.00 0.00 174.94 176.16 1iq5 s THR 28 N 0.82 3.92 0.41 2.92 -4.23 -1.26 -1.65 115.64 116.57 1iq5 s THR 28 Ca 0.00 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1iq5 s THR 28 Cb -0.14 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.63 1iq5 s THR 28 CO 0.02 -0.19 2.06 0.71 -0.54 0.00 0.00 174.62 176.68 1iq5 h THR 29 N 1.12 1.11 -0.30 3.99 1.35 -1.91 -0.84 112.91 117.42 1iq5 h THR 29 Ca -0.46 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1iq5 h THR 29 Cb 1.25 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1iq5 h THR 29 CO 0.56 0.10 0.09 0.50 -0.25 0.00 0.00 175.52 176.53 1iq5 h LYS 30 N 0.53 0.47 -0.58 4.72 1.63 -1.97 -0.70 116.57 120.66 1iq5 h LYS 30 Ca 0.14 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1iq5 h LYS 30 Cb -0.04 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1iq5 h LYS 30 CO -0.03 0.52 0.15 0.93 -3.45 0.00 0.00 179.45 177.57 1iq5 h GLU 31 N 0.32 0.92 -0.29 1.90 5.08 -1.71 -2.32 114.58 118.48 1iq5 h GLU 31 Ca 0.10 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1iq5 h GLU 31 Cb 0.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1iq5 h GLU 31 CO -0.00 0.85 0.12 1.25 -1.00 0.00 0.00 179.01 180.22 1iq5 h LEU 32 N 0.83 0.14 -1.09 1.33 6.46 -1.02 -2.25 115.31 119.72 1iq5 h LEU 32 Ca 0.18 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.12 1iq5 h LEU 32 Cb 0.33 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.18 1iq5 h LEU 32 CO -0.00 0.12 0.62 1.23 -0.62 0.00 0.00 178.44 179.78 1iq5 h GLY 33 N 0.25 1.56 0.94 3.75 0.00 -0.75 -0.70 103.07 108.12 1iq5 h GLY 33 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1iq5 h GLY 33 CO -0.12 0.08 0.04 -0.84 0.00 0.00 0.00 176.54 175.70 1iq5 h THR 34 N 0.85 1.07 -0.56 4.70 2.02 -0.88 -0.29 112.91 119.83 1iq5 h THR 34 Ca 0.51 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 1iq5 h THR 34 Cb 0.67 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1iq5 h THR 34 CO -0.28 0.06 0.04 0.58 0.37 0.00 0.00 175.52 176.29 1iq5 h VAL 35 N 0.02 1.25 -0.24 3.16 2.07 -1.17 -2.11 116.25 119.23 1iq5 h VAL 35 Ca 0.02 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1iq5 h VAL 35 Cb 0.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1iq5 h VAL 35 CO -0.00 0.37 0.08 0.24 0.02 0.00 0.00 177.57 178.28 1iq5 h MET 36 N 0.86 0.38 -0.51 1.57 2.86 -0.92 -2.76 114.93 116.41 1iq5 h MET 36 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1iq5 h MET 36 Cb 0.46 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1iq5 h MET 36 CO 0.02 0.46 0.29 0.00 1.06 0.00 0.00 176.91 178.73 1iq5 h ARG 37 N 0.23 0.70 0.00 1.72 3.08 -0.92 -1.78 114.38 117.41 1iq5 h ARG 37 Ca 0.08 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iq5 h ARG 37 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1iq5 h ARG 37 CO -0.00 0.54 -0.01 0.66 -1.07 0.00 0.00 179.97 180.09 1iq5 h SER 38 N 0.68 0.00 -0.28 7.04 4.64 -1.28 -0.17 113.55 124.18 1iq5 h SER 38 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1iq5 h SER 38 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1iq5 h SER 38 CO -0.03 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 1iq5 n LEU 39 N -3.74 1.66 0.00 5.97 4.77 -0.70 -4.90 117.00 120.06 1iq5 n LEU 39 Ca -0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1iq5 n LEU 39 Cb 0.09 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1iq5 n LEU 39 CO 0.27 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1iq5 n GLY 40 N 1.04 2.96 3.65 -0.72 0.00 -0.08 -5.03 105.19 107.01 1iq5 n GLY 40 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1iq5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iq5 s GLN 41 N -0.12 0.79 -0.42 1.61 -1.52 -0.99 -4.94 119.66 114.08 1iq5 s GLN 41 Ca 0.00 1.34 0.07 0.00 -1.95 0.00 0.00 55.36 54.83 1iq5 s GLN 41 Cb 0.00 -1.72 0.25 0.00 -0.22 0.00 0.00 33.01 31.32 1iq5 s GLN 41 CO 0.00 -2.72 0.63 -1.71 -0.25 0.00 0.00 175.29 171.24 1iq5 n ASN 42 N -4.28 -0.67 -4.82 5.90 2.85 -1.26 -3.81 115.26 109.16 1iq5 n ASN 42 Ca 0.10 -2.87 -0.31 0.00 -0.11 0.00 0.00 54.58 51.38 1iq5 n ASN 42 Cb 0.53 0.05 0.03 0.00 1.24 0.00 0.00 39.78 41.63 1iq5 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1iq5 s PRO 43 N -0.67 3.11 0.67 1.20 0.05 -1.26 -5.06 135.00 133.04 1iq5 s PRO 43 Ca 0.34 1.00 -0.06 0.00 0.05 0.00 0.00 61.00 62.33 1iq5 s PRO 43 Cb 0.19 -2.01 0.05 0.00 0.05 0.00 0.00 34.50 32.78 1iq5 s PRO 43 CO -0.15 -0.96 0.98 0.95 0.05 0.00 0.00 177.00 177.87 1iq5 s THR 44 N -2.90 2.57 0.25 1.26 -4.23 -1.26 -4.90 115.64 106.44 1iq5 s THR 44 Ca 0.59 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1iq5 s THR 44 Cb -0.14 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.80 1iq5 s THR 44 CO 0.50 -0.10 1.85 -0.33 -0.54 0.00 0.00 174.62 176.00 1iq5 h GLU 45 N -0.48 1.12 -0.83 3.99 4.39 -1.99 -1.74 114.58 119.05 1iq5 h GLU 45 Ca -0.44 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.07 1iq5 h GLU 45 Cb 1.30 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1iq5 h GLU 45 CO 0.60 0.86 0.40 0.00 -1.16 0.00 0.00 179.01 179.71 1iq5 h ALA 46 N 1.30 1.06 -0.51 3.43 0.00 -1.99 -0.72 119.26 121.83 1iq5 h ALA 46 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1iq5 h ALA 46 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1iq5 h ALA 46 CO -0.04 0.63 0.11 0.93 0.00 0.00 0.00 179.25 180.88 1iq5 h GLU 47 N 1.17 0.84 -0.57 0.00 5.08 -1.79 -0.82 114.58 118.49 1iq5 h GLU 47 Ca 0.28 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1iq5 h GLU 47 Cb 0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1iq5 h GLU 47 CO -0.04 0.81 0.14 -0.07 -1.00 0.00 0.00 179.01 178.86 1iq5 h LEU 48 N 0.72 0.86 -1.06 1.33 3.38 -1.04 -1.48 115.31 118.03 1iq5 h LEU 48 Ca 0.16 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1iq5 h LEU 48 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1iq5 h LEU 48 CO 0.01 0.87 -0.28 -0.61 0.09 0.00 0.00 178.44 178.52 1iq5 h GLN 49 N 0.81 0.32 -0.58 1.13 5.75 -0.99 -2.24 115.11 119.31 1iq5 h GLN 49 Ca 0.18 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1iq5 h GLN 49 Cb 0.35 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1iq5 h GLN 49 CO 0.00 0.58 0.19 -0.44 -2.65 0.00 0.00 178.83 176.52 1iq5 h ASP 50 N 0.28 0.84 -0.85 -0.69 3.32 -0.72 -0.35 116.42 118.26 1iq5 h ASP 50 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1iq5 h ASP 50 Cb 0.65 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1iq5 h ASP 50 CO 0.05 0.82 0.55 0.24 -1.72 0.00 0.00 179.24 179.17 1iq5 h MET 51 N 0.82 1.12 0.01 3.56 2.86 -0.80 -2.70 114.93 119.80 1iq5 h MET 51 Ca 0.19 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1iq5 h MET 51 Cb 0.27 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1iq5 h MET 51 CO -0.01 0.76 -0.01 0.82 1.06 0.00 0.00 176.91 179.53 1iq5 h ILE 52 N 1.15 1.29 -0.94 -1.22 1.08 -1.09 -3.28 117.51 114.51 1iq5 h ILE 52 Ca 0.31 -0.91 0.19 0.00 -0.39 0.00 0.00 64.86 64.05 1iq5 h ILE 52 Cb -0.11 1.91 -0.08 0.00 -3.07 0.00 0.00 36.82 35.47 1iq5 h ILE 52 CO -0.06 0.24 0.60 0.78 -0.69 0.00 0.00 178.15 179.01 1iq5 h ASN 53 N -0.41 0.58 0.92 1.72 -0.26 -0.90 0.31 115.58 117.54 1iq5 h ASN 53 Ca -0.00 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1iq5 h ASN 53 Cb 0.40 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1iq5 h ASN 53 CO 0.00 0.24 -0.02 1.05 -1.06 0.00 0.00 177.43 177.64 1iq5 h GLU 54 N 0.59 0.00 0.00 0.81 4.11 -1.54 -3.04 114.58 115.51 1iq5 h GLU 54 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1iq5 h GLU 54 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1iq5 h GLU 54 CO -0.25 0.02 -1.23 0.28 0.07 0.00 0.00 179.01 177.90 1iq5 n VAL 55 N -3.12 0.00 -1.72 -1.06 0.31 -0.61 -4.84 118.33 107.29 1iq5 n VAL 55 Ca 0.00 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.66 1iq5 n VAL 55 Cb 0.29 0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 33.71 1iq5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1iq5 n ASP 56 N -1.71 3.47 -0.21 4.52 2.03 -0.00 -4.83 116.55 119.81 1iq5 n ASP 56 Ca -0.00 -2.78 0.02 0.00 0.52 0.00 0.00 54.79 52.54 1iq5 n ASP 56 Cb 0.30 -1.50 0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1iq5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iq5 h ALA 57 N 7.45 0.66 -0.14 -1.67 0.00 -1.88 -0.97 119.26 122.71 1iq5 h ALA 57 Ca 0.45 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1iq5 h ALA 57 Cb 0.73 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1iq5 h ALA 57 CO 1.75 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 180.21 1iq5 n ASP 58 N -5.26 1.08 -2.39 0.00 3.85 -1.26 -4.94 116.55 107.63 1iq5 n ASP 58 Ca 0.10 -1.73 -0.12 0.00 -0.71 0.00 0.00 54.79 52.33 1iq5 n ASP 58 Cb 0.37 -0.09 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 1iq5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iq5 n GLY 59 N 0.95 -0.41 0.31 6.12 0.00 -0.37 -4.87 105.19 106.92 1iq5 n GLY 59 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1iq5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iq5 n ASN 60 N -1.73 1.02 0.00 1.61 6.94 -1.26 -4.94 115.26 116.89 1iq5 n ASN 60 Ca -0.15 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1iq5 n ASN 60 Cb 0.60 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1iq5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iq5 n GLY 61 N 1.17 0.96 3.24 4.83 0.00 -1.26 -5.07 105.19 109.06 1iq5 n GLY 61 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1iq5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iq5 s THR 62 N -2.20 0.59 -0.22 2.61 -4.23 -1.26 -4.72 115.64 106.20 1iq5 s THR 62 Ca 0.00 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1iq5 s THR 62 Cb 0.00 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1iq5 s THR 62 CO 0.00 -0.41 0.08 -0.63 -0.54 0.00 0.00 174.62 173.12 1iq5 s ILE 63 N -3.72 4.62 0.55 2.99 1.01 -0.66 -4.83 121.20 121.15 1iq5 s ILE 63 Ca 0.26 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.92 1iq5 s ILE 63 Cb 0.06 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.48 1iq5 s ILE 63 CO 0.05 0.39 0.71 1.51 0.00 0.00 0.00 174.94 177.59 1iq5 s ASP 64 N 1.04 5.10 0.13 3.58 1.47 -1.26 -0.46 116.67 126.26 1iq5 s ASP 64 Ca 0.04 -0.85 -0.19 0.00 1.18 0.00 0.00 52.55 52.73 1iq5 s ASP 64 Cb -0.14 0.19 -0.03 0.00 -0.34 0.00 0.00 42.92 42.60 1iq5 s ASP 64 CO 0.03 -1.23 1.73 0.15 0.68 0.00 0.00 175.17 176.53 1iq5 h PHE 65 N 0.32 0.03 -0.68 2.11 -0.00 -2.00 -1.15 116.94 115.58 1iq5 h PHE 65 Ca -0.32 0.01 0.06 0.00 -0.00 0.00 0.00 57.97 57.72 1iq5 h PHE 65 Cb 1.29 0.02 -0.05 0.00 -0.00 0.00 0.00 35.95 37.20 1iq5 h PHE 65 CO 0.50 -0.00 0.39 -1.35 -0.00 0.00 0.00 178.31 177.85 1iq5 h PRO 66 N 0.09 0.69 -0.72 6.41 0.11 -1.96 0.18 132.00 136.81 1iq5 h PRO 66 Ca 0.09 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1iq5 h PRO 66 Cb 0.10 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1iq5 h PRO 66 CO -0.14 0.46 0.23 0.93 -0.21 0.00 0.00 178.00 179.26 1iq5 h GLU 67 N 0.71 1.10 -0.21 1.05 5.08 -1.86 -0.10 114.58 120.36 1iq5 h GLU 67 Ca 0.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1iq5 h GLU 67 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1iq5 h GLU 67 CO -0.17 0.93 0.10 0.35 -1.00 0.00 0.00 179.01 179.22 1iq5 h PHE 68 N 1.06 0.30 -0.74 4.33 3.57 -0.44 -1.36 116.94 123.66 1iq5 h PHE 68 Ca 0.23 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1iq5 h PHE 68 Cb 0.29 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1iq5 h PHE 68 CO 0.02 0.31 0.39 -0.07 -2.23 0.00 0.00 178.31 176.73 1iq5 h LEU 69 N 0.20 0.94 -0.77 0.59 3.38 -0.35 -1.93 115.31 117.37 1iq5 h LEU 69 Ca 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1iq5 h LEU 69 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1iq5 h LEU 69 CO -0.01 0.78 0.35 0.74 0.09 0.00 0.00 178.44 180.39 1iq5 h THR 70 N 1.02 1.25 -0.27 0.22 2.02 -0.83 -1.19 112.91 115.14 1iq5 h THR 70 Ca 0.26 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1iq5 h THR 70 Cb 0.06 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1iq5 h THR 70 CO -0.04 0.31 0.08 -0.03 0.37 0.00 0.00 175.52 176.21 1iq5 h MET 71 N 1.09 0.20 -0.37 6.66 1.85 -0.82 -1.33 114.93 122.21 1iq5 h MET 71 Ca 0.26 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.38 1iq5 h MET 71 Cb 0.15 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.10 1iq5 h MET 71 CO -0.03 0.13 0.14 0.52 -0.40 0.00 0.00 176.91 177.27 1iq5 h MET 72 N 0.20 0.30 -0.84 0.39 2.07 -0.83 0.29 114.93 116.51 1iq5 h MET 72 Ca 0.12 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.79 1iq5 h MET 72 Cb 0.09 -0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 29.70 1iq5 h MET 72 CO -0.13 0.20 0.52 0.00 1.07 0.00 0.00 176.91 178.56 1iq5 h ALA 73 N 1.23 1.15 -0.26 6.32 0.00 -0.79 0.31 119.26 127.21 1iq5 h ALA 73 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1iq5 h ALA 73 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1iq5 h ALA 73 CO -0.16 0.26 -0.38 0.00 0.00 0.00 0.00 179.25 178.97 1iq5 h ARG 74 N 0.95 0.60 0.00 0.00 3.08 -0.72 -2.97 114.38 115.32 1iq5 h ARG 74 Ca 0.37 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1iq5 h ARG 74 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1iq5 h ARG 74 CO -0.17 0.89 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.95 1iq5 h LYS 75 N 0.50 0.00 0.00 0.04 1.63 0.06 -2.56 116.57 116.23 1iq5 h LYS 75 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1iq5 h LYS 75 Cb 0.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1iq5 h LYS 75 CO 0.08 0.45 0.00 0.52 -3.45 0.00 0.00 179.45 177.05 1iq5 h MET 76 N 0.00 0.00 0.00 1.90 2.86 -0.82 -3.04 114.93 115.84 1iq5 h MET 76 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1iq5 h MET 76 Cb 0.89 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1iq5 h MET 76 CO 0.06 0.00 -0.69 0.87 1.06 0.00 0.00 176.91 178.21 1iq5 h LYS 77 N 0.00 0.46 -3.06 1.72 1.57 -1.41 -3.44 116.57 112.41 1iq5 h LYS 77 Ca 0.00 -0.50 -0.31 0.00 -1.87 0.00 0.00 60.65 57.97 1iq5 h LYS 77 Cb 0.52 0.14 -0.36 0.00 0.08 0.00 0.00 32.23 32.61 1iq5 h LYS 77 CO 0.00 1.15 -0.65 -0.51 -0.57 0.00 0.00 179.45 178.88 1iq5 s ASP 78 N -6.86 0.87 0.00 0.86 1.01 -1.15 -4.92 116.67 106.49 1iq5 s ASP 78 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.38 1iq5 s ASP 78 Cb 0.04 0.24 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1iq5 s ASP 78 CO 0.84 -0.25 0.56 0.41 0.21 0.00 0.00 175.17 176.94 1iq5 n THR 79 N 5.32 0.31 -3.87 -1.27 -1.04 -1.25 -4.73 114.28 107.77 1iq5 n THR 79 Ca -0.05 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.05 61.18 1iq5 n THR 79 Cb 0.50 1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 69.92 1iq5 n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iq5 s ASP 80 N -0.31 4.98 0.00 8.00 3.68 -1.26 -4.41 116.67 127.34 1iq5 s ASP 80 Ca 0.00 -2.33 0.00 0.00 2.13 0.00 0.00 52.55 52.35 1iq5 s ASP 80 Cb 0.00 -1.75 0.00 0.00 -1.45 0.00 0.00 42.92 39.72 1iq5 s ASP 80 CO 0.00 -0.43 0.00 -1.20 0.13 0.00 0.00 175.17 173.67 1iq5 n SER 81 N 4.12 0.00 0.00 -0.34 7.64 -1.26 -5.01 113.62 118.77 1iq5 n SER 81 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1iq5 n SER 81 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1iq5 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1iq5 n GLU 82 N -0.27 0.00 0.15 1.43 4.07 -1.26 -4.86 120.64 119.90 1iq5 n GLU 82 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1iq5 n GLU 82 Cb 0.00 0.00 0.33 0.00 -0.06 0.00 0.00 31.44 31.71 1iq5 n GLU 82 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1iq5 h GLU 83 N 0.00 0.10 -0.00 5.31 4.81 -1.97 1.42 114.58 124.25 1iq5 h GLU 83 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1iq5 h GLU 83 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1iq5 h GLU 83 CO 0.00 0.44 -0.01 0.93 -0.73 0.00 0.00 179.01 179.63 1iq5 h GLU 84 N 0.09 0.02 -0.47 1.92 5.08 -1.89 -0.33 114.58 118.99 1iq5 h GLU 84 Ca 0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1iq5 h GLU 84 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1iq5 h GLU 84 CO 0.05 0.62 0.15 0.82 -1.00 0.00 0.00 179.01 179.65 1iq5 h ILE 85 N -0.59 1.23 -0.69 3.13 2.04 -1.67 -1.02 117.51 119.94 1iq5 h ILE 85 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1iq5 h ILE 85 Cb 0.62 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1iq5 h ILE 85 CO 0.00 0.27 0.43 -0.09 0.00 0.00 0.00 178.15 178.77 1iq5 h ARG 86 N 0.63 0.92 -0.47 2.37 9.65 0.19 -0.18 114.38 127.49 1iq5 h ARG 86 Ca 0.15 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1iq5 h ARG 86 Cb 0.27 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 1iq5 h ARG 86 CO -0.00 0.63 0.26 1.49 2.80 0.00 0.00 179.97 185.15 1iq5 h GLU 87 N 0.94 0.50 -0.07 0.20 4.81 -0.61 -0.50 114.58 119.84 1iq5 h GLU 87 Ca 0.25 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1iq5 h GLU 87 Cb -0.07 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1iq5 h GLU 87 CO -0.05 0.33 0.03 0.00 -0.73 0.00 0.00 179.01 178.59 1iq5 h ALA 88 N 1.23 0.09 -0.88 2.92 0.00 -0.67 -2.77 119.26 119.19 1iq5 h ALA 88 Ca 0.20 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1iq5 h ALA 88 Cb 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1iq5 h ALA 88 CO -0.12 -0.34 0.57 0.35 0.00 0.00 0.00 179.25 179.71 1iq5 h PHE 89 N -0.01 0.98 0.00 0.00 3.04 -0.68 -1.08 116.94 119.18 1iq5 h PHE 89 Ca 0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1iq5 h PHE 89 Cb 0.13 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.31 1iq5 h PHE 89 CO -0.03 0.49 -0.07 0.00 -2.02 0.00 0.00 178.31 176.68 1iq5 h ARG 90 N 0.94 0.00 -0.22 1.11 3.08 -0.82 -1.70 114.38 116.77 1iq5 h ARG 90 Ca 0.39 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.36 1iq5 h ARG 90 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1iq5 h ARG 90 CO -0.15 0.07 -0.18 0.28 -1.07 0.00 0.00 179.97 178.92 1iq5 h VAL 91 N 0.00 1.32 0.56 2.04 2.07 -1.05 -3.32 116.25 117.87 1iq5 h VAL 91 Ca -0.00 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1iq5 h VAL 91 Cb 0.27 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1iq5 h VAL 91 CO 0.01 0.41 -0.27 -0.26 0.02 0.00 0.00 177.57 177.47 1iq5 h PHE 92 N 0.21 -0.70 -0.03 1.57 0.04 -1.47 -3.36 116.94 113.19 1iq5 h PHE 92 Ca 0.04 -0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.47 1iq5 h PHE 92 Cb 0.71 0.23 0.08 0.00 2.20 0.00 0.00 35.95 39.18 1iq5 h PHE 92 CO 0.07 -0.38 0.77 -3.47 -0.60 0.00 0.00 178.31 174.69 1iq5 n ASP 93 N -5.30 1.12 0.15 2.17 2.03 -0.68 -4.71 116.55 111.34 1iq5 n ASP 93 Ca -0.11 -2.48 -0.14 0.00 0.52 0.00 0.00 54.79 52.58 1iq5 n ASP 93 Cb 0.33 -1.04 -0.07 0.00 -0.72 0.00 0.00 41.12 39.62 1iq5 n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1iq5 h LYS 94 N 10.73 -0.59 0.00 -0.67 3.11 -1.78 -2.55 116.57 124.82 1iq5 h LYS 94 Ca 0.14 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1iq5 h LYS 94 Cb 0.83 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1iq5 h LYS 94 CO 1.58 -0.39 0.00 0.38 -2.81 0.00 0.00 179.45 178.21 1iq5 h ASP 95 N -0.61 0.00 -0.90 4.20 3.04 -1.94 -3.48 116.42 116.73 1iq5 h ASP 95 Ca 0.01 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.65 1iq5 h ASP 95 Cb 0.60 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.88 1iq5 h ASP 95 CO -0.14 0.00 -0.18 0.61 -2.04 0.00 0.00 179.24 177.49 1iq5 n GLY 96 N 0.87 0.25 0.22 7.15 0.00 -0.96 -4.94 105.19 107.78 1iq5 n GLY 96 Ca 0.04 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1iq5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iq5 n ASN 97 N 0.64 0.67 0.00 1.61 6.94 -1.26 -4.90 115.26 118.95 1iq5 n ASN 97 Ca -0.08 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 1iq5 n ASN 97 Cb 0.50 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1iq5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iq5 n GLY 98 N 1.00 0.31 3.11 4.83 0.00 -1.26 -5.07 105.19 108.09 1iq5 n GLY 98 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1iq5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iq5 s TYR 99 N -2.00 0.76 -0.23 1.61 1.51 -1.26 -3.55 117.35 114.19 1iq5 s TYR 99 Ca 0.00 -0.68 -0.08 0.00 -1.01 0.00 0.00 57.07 55.30 1iq5 s TYR 99 Cb 0.00 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1iq5 s TYR 99 CO 0.00 -0.12 0.08 0.42 -1.11 0.00 0.00 175.55 174.82 1iq5 s ILE 100 N -2.36 4.55 0.31 2.71 1.01 0.27 -4.70 121.20 122.99 1iq5 s ILE 100 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1iq5 s ILE 100 Cb -0.03 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1iq5 s ILE 100 CO -0.02 0.37 0.44 -0.94 0.00 0.00 0.00 174.94 174.79 1iq5 s SER 101 N 1.19 6.09 0.40 3.58 1.04 -1.26 -2.11 113.70 122.63 1iq5 s SER 101 Ca 0.05 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.46 1iq5 s SER 101 Cb -0.14 -1.44 0.83 0.00 0.10 0.00 0.00 66.02 65.37 1iq5 s SER 101 CO 0.04 -0.32 2.03 0.00 0.98 0.00 0.00 173.24 175.97 1iq5 h ALA 102 N 0.97 1.72 -0.53 5.32 0.00 -1.94 -0.45 119.26 124.35 1iq5 h ALA 102 Ca -0.48 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1iq5 h ALA 102 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1iq5 h ALA 102 CO 0.55 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.95 1iq5 h ALA 103 N 1.70 0.85 -0.18 0.00 0.00 -1.99 -1.32 119.26 118.33 1iq5 h ALA 103 Ca 0.20 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1iq5 h ALA 103 Cb 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1iq5 h ALA 103 CO -0.05 0.65 -0.71 0.93 0.00 0.00 0.00 179.25 180.07 1iq5 h GLU 104 N 0.87 0.79 -0.45 0.00 5.08 -1.72 -2.12 114.58 117.04 1iq5 h GLU 104 Ca 0.14 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1iq5 h GLU 104 Cb 0.63 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1iq5 h GLU 104 CO 0.04 1.23 0.23 1.25 -1.00 0.00 0.00 179.01 180.77 1iq5 h LEU 105 N 0.53 0.57 -0.55 1.33 5.85 -1.04 -1.01 115.31 120.99 1iq5 h LEU 105 Ca -0.04 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1iq5 h LEU 105 Cb 1.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1iq5 h LEU 105 CO 0.15 0.52 0.18 -0.09 -0.34 0.00 0.00 178.44 178.86 1iq5 h ARG 106 N 0.59 0.86 -0.47 1.25 2.43 -1.23 -1.86 114.38 115.95 1iq5 h ARG 106 Ca 0.16 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1iq5 h ARG 106 Cb 0.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1iq5 h ARG 106 CO -0.02 0.78 0.11 1.25 -1.51 0.00 0.00 179.97 180.57 1iq5 h HIS 107 N 0.77 0.80 -0.30 2.20 2.76 -1.16 -1.58 115.15 118.63 1iq5 h HIS 107 Ca 0.18 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1iq5 h HIS 107 Cb 0.27 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1iq5 h HIS 107 CO 0.02 0.73 0.11 0.28 -1.30 0.00 0.00 177.93 177.76 1iq5 h VAL 108 N 0.64 1.19 -0.33 5.26 2.07 -1.07 -2.73 116.25 121.28 1iq5 h VAL 108 Ca 0.15 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1iq5 h VAL 108 Cb 0.34 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1iq5 h VAL 108 CO 0.00 0.20 -0.11 0.24 0.02 0.00 0.00 177.57 177.92 1iq5 h MET 109 N 0.33 0.57 -0.33 1.57 2.86 -1.27 -2.69 114.93 115.97 1iq5 h MET 109 Ca 0.10 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1iq5 h MET 109 Cb 0.21 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1iq5 h MET 109 CO -0.01 0.68 -0.03 1.15 1.06 0.00 0.00 176.91 179.76 1iq5 h THR 110 N 0.53 1.27 0.00 2.22 2.02 -1.19 0.33 112.91 118.09 1iq5 h THR 110 Ca 0.10 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1iq5 h THR 110 Cb 0.51 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1iq5 h THR 110 CO 0.03 0.34 0.00 0.59 0.37 0.00 0.00 175.52 176.85 1iq5 n ASN 111 N -4.49 0.00 -1.20 4.18 3.02 -1.04 -1.81 115.26 113.91 1iq5 n ASN 111 Ca -0.02 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 1iq5 n ASN 111 Cb 0.29 -0.44 0.29 0.00 -0.61 0.00 0.00 39.78 39.31 1iq5 n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1iq5 n LEU 112 N -1.44 4.16 -0.57 3.41 4.77 -1.02 -4.96 117.00 121.35 1iq5 n LEU 112 Ca 0.06 -2.50 -0.07 0.00 -0.03 0.00 0.00 56.01 53.47 1iq5 n LEU 112 Cb 0.22 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1iq5 n LEU 112 CO 0.18 0.75 -0.07 0.61 -1.33 0.00 0.00 177.39 177.53 1iq5 n GLY 113 N 0.55 0.77 3.23 -0.72 0.00 -0.75 -5.02 105.19 103.24 1iq5 n GLY 113 Ca 0.21 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1iq5 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iq5 s GLU 114 N -2.88 2.75 -0.41 1.61 0.41 0.11 -5.01 118.70 115.29 1iq5 s GLU 114 Ca 0.00 -1.05 -0.25 0.00 -0.41 0.00 0.00 54.97 53.26 1iq5 s GLU 114 Cb 0.00 -3.15 0.02 0.00 -1.78 0.00 0.00 34.13 29.22 1iq5 s GLU 114 CO 0.00 -0.49 0.87 0.15 -0.49 0.00 0.00 175.26 175.30 1iq5 s LYS 115 N 1.34 3.65 -0.06 1.61 -0.14 -1.26 -3.63 119.74 121.25 1iq5 s LYS 115 Ca -0.01 0.27 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1iq5 s LYS 115 Cb -0.18 -3.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.08 1iq5 s LYS 115 CO -0.02 -1.04 -0.11 -0.51 -0.76 0.00 0.00 175.35 172.92 1iq5 s LEU 116 N 3.44 2.95 0.47 3.17 1.43 -1.26 -5.11 118.68 123.77 1iq5 s LEU 116 Ca 0.35 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1iq5 s LEU 116 Cb -0.12 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 1iq5 s LEU 116 CO 0.21 0.34 0.99 0.42 0.23 0.00 0.00 176.35 178.54 1iq5 s THR 117 N -0.70 4.23 0.26 5.49 -4.23 -1.26 -4.83 115.64 114.60 1iq5 s THR 117 Ca 0.11 1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.88 1iq5 s THR 117 Cb -0.11 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.44 1iq5 s THR 117 CO 0.01 -0.39 1.65 0.44 -0.54 0.00 0.00 174.62 175.79 1iq5 h ASP 118 N 1.53 -0.18 -0.42 3.99 3.32 -1.99 0.63 116.42 123.29 1iq5 h ASP 118 Ca -0.49 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1iq5 h ASP 118 Cb 1.19 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 1iq5 h ASP 118 CO 0.60 -0.15 0.18 -0.08 -1.72 0.00 0.00 179.24 178.08 1iq5 h GLU 119 N 0.16 0.67 -0.21 3.56 4.81 -2.00 -1.59 114.58 119.98 1iq5 h GLU 119 Ca 0.45 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.43 1iq5 h GLU 119 Cb 0.83 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1iq5 h GLU 119 CO -0.63 0.55 -0.51 0.93 -0.73 0.00 0.00 179.01 178.62 1iq5 h GLU 120 N 0.66 0.60 0.08 1.92 5.08 -0.22 -1.93 114.58 120.78 1iq5 h GLU 120 Ca 0.16 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1iq5 h GLU 120 Cb 0.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1iq5 h GLU 120 CO -0.02 0.97 -0.04 0.28 -1.00 0.00 0.00 179.01 179.21 1iq5 h VAL 121 N 0.47 0.97 -0.64 3.13 2.07 -0.28 -1.20 116.25 120.77 1iq5 h VAL 121 Ca 0.02 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1iq5 h VAL 121 Cb 1.06 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1iq5 h VAL 121 CO 0.10 0.04 0.40 0.44 0.02 0.00 0.00 177.57 178.57 1iq5 h ASP 122 N -0.17 0.67 -0.14 0.57 3.45 -1.24 -1.95 116.42 117.60 1iq5 h ASP 122 Ca -0.01 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.35 1iq5 h ASP 122 Cb 0.14 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1iq5 h ASP 122 CO 0.02 0.47 -0.20 -0.08 -1.57 0.00 0.00 179.24 177.88 1iq5 h GLU 123 N 0.80 0.56 -0.50 3.56 4.81 -1.23 0.69 114.58 123.26 1iq5 h GLU 123 Ca 0.25 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1iq5 h GLU 123 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1iq5 h GLU 123 CO -0.09 0.73 0.20 1.98 -0.73 0.00 0.00 179.01 181.10 1iq5 h MET 124 N 0.50 0.75 -0.26 1.92 4.05 -0.76 -1.53 114.93 119.60 1iq5 h MET 124 Ca 0.08 -0.13 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1iq5 h MET 124 Cb 0.62 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1iq5 h MET 124 CO 0.04 0.66 0.01 0.82 0.23 0.00 0.00 176.91 178.67 1iq5 h ILE 125 N 0.67 1.25 -0.92 1.77 1.08 -1.09 -3.22 117.51 117.06 1iq5 h ILE 125 Ca 0.17 -0.89 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1iq5 h ILE 125 Cb 0.19 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 1iq5 h ILE 125 CO -0.01 0.28 0.61 -0.09 -0.69 0.00 0.00 178.15 178.24 1iq5 h ARG 126 N 0.24 1.15 -0.30 2.37 2.43 -0.62 0.48 114.38 120.13 1iq5 h ARG 126 Ca 0.07 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1iq5 h ARG 126 Cb 0.40 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1iq5 h ARG 126 CO 0.01 0.76 0.10 0.93 -1.51 0.00 0.00 179.97 180.26 1iq5 h GLU 127 N 1.18 0.42 0.00 0.20 5.08 -1.29 -2.97 114.58 117.20 1iq5 h GLU 127 Ca 0.36 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1iq5 h GLU 127 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1iq5 h GLU 127 CO -0.10 0.37 -1.68 0.00 -1.00 0.00 0.00 179.01 176.60 1iq5 n ALA 128 N -2.49 2.50 -1.90 3.43 0.00 -0.93 -4.83 120.51 116.30 1iq5 n ALA 128 Ca 0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 1iq5 n ALA 128 Cb 0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1iq5 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iq5 s ASP 129 N -5.00 4.98 0.13 0.00 -1.08 0.11 -4.80 116.67 111.02 1iq5 s ASP 129 Ca -0.05 0.43 0.04 0.00 -0.52 0.00 0.00 52.55 52.45 1iq5 s ASP 129 Cb 0.11 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.91 1iq5 s ASP 129 CO 0.86 -2.60 1.30 0.40 0.52 0.00 0.00 175.17 175.65 1iq5 h ILE 130 N 7.16 1.61 -0.49 4.11 1.08 -1.86 -3.30 117.51 125.82 1iq5 h ILE 130 Ca -0.21 -3.08 -0.04 0.00 -0.39 0.00 0.00 64.86 61.13 1iq5 h ILE 130 Cb 1.17 2.73 -0.03 0.00 -3.07 0.00 0.00 36.82 37.62 1iq5 h ILE 130 CO 1.19 0.89 0.04 -0.90 -0.69 0.00 0.00 178.15 178.69 1iq5 n ASP 131 N -3.49 4.89 -1.70 1.72 5.68 -1.26 -4.97 116.55 117.42 1iq5 n ASP 131 Ca -0.02 -3.04 -0.05 0.00 -0.50 0.00 0.00 54.79 51.17 1iq5 n ASP 131 Cb 0.90 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 1iq5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iq5 n GLY 132 N 0.06 0.09 0.10 6.12 0.00 -1.25 -4.78 105.19 105.53 1iq5 n GLY 132 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.45 1iq5 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iq5 n ASP 133 N -0.45 0.31 0.00 1.61 3.85 -1.26 -4.91 116.55 115.71 1iq5 n ASP 133 Ca -0.06 -0.91 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 1iq5 n ASP 133 Cb 0.33 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1iq5 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iq5 n GLY 134 N 1.11 0.61 3.24 6.12 0.00 -1.26 -5.04 105.19 109.97 1iq5 n GLY 134 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1iq5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iq5 s GLN 135 N -0.42 1.41 -0.22 1.61 -0.21 -1.26 -4.65 119.66 115.92 1iq5 s GLN 135 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 55.36 53.64 1iq5 s GLN 135 Cb 0.00 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.36 1iq5 s GLN 135 CO 0.00 -0.49 -0.09 0.08 -2.12 0.00 0.00 175.29 172.67 1iq5 s VAL 136 N -3.90 1.66 0.64 1.09 1.01 -0.90 -4.53 120.40 115.48 1iq5 s VAL 136 Ca 0.39 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1iq5 s VAL 136 Cb 0.05 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1iq5 s VAL 136 CO 0.17 0.06 0.91 0.54 0.00 0.00 0.00 175.10 176.78 1iq5 s ASN 137 N 1.36 4.96 0.19 3.32 6.03 -1.26 -0.57 114.94 128.97 1iq5 s ASN 137 Ca -0.04 0.19 -0.15 0.00 -1.03 0.00 0.00 52.86 51.83 1iq5 s ASN 137 Cb -0.17 -0.92 0.17 0.00 -3.03 0.00 0.00 41.25 37.30 1iq5 s ASN 137 CO -0.07 -1.43 1.64 0.22 -2.03 0.00 0.00 177.10 175.43 1iq5 h TYR 138 N -0.32 -0.30 -0.53 1.54 3.20 -1.98 -0.80 116.97 117.78 1iq5 h TYR 138 Ca -0.43 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.58 1iq5 h TYR 138 Cb 1.30 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.71 1iq5 h TYR 138 CO 0.29 -0.23 0.12 1.49 -1.64 0.00 0.00 178.16 178.19 1iq5 h GLU 139 N -0.01 0.26 -0.35 1.82 4.81 -1.94 0.51 114.58 119.69 1iq5 h GLU 139 Ca 0.25 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1iq5 h GLU 139 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1iq5 h GLU 139 CO -0.55 0.17 -0.21 0.93 -0.73 0.00 0.00 179.01 178.62 1iq5 h GLU 140 N 0.27 0.66 0.06 1.92 5.08 -1.75 -1.25 114.58 119.57 1iq5 h GLU 140 Ca 0.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1iq5 h GLU 140 Cb 0.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1iq5 h GLU 140 CO -0.34 0.82 -0.03 0.35 -1.00 0.00 0.00 179.01 178.82 1iq5 h PHE 141 N 0.59 -0.08 -0.68 4.33 3.04 0.38 -2.51 116.94 122.01 1iq5 h PHE 141 Ca 0.09 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.06 1iq5 h PHE 141 Cb 0.68 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.17 1iq5 h PHE 141 CO 0.03 0.08 0.43 0.28 -2.02 0.00 0.00 178.31 177.11 1iq5 h VAL 142 N -0.23 1.12 -0.20 1.41 2.07 0.08 -2.20 116.25 118.30 1iq5 h VAL 142 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1iq5 h VAL 142 Cb 0.20 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1iq5 h VAL 142 CO 0.01 0.16 0.13 -0.61 0.02 0.00 0.00 177.57 177.28 1iq5 h GLN 143 N 0.86 0.27 0.05 1.57 4.15 -1.10 0.40 115.11 121.31 1iq5 h GLN 143 Ca 0.27 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.42 1iq5 h GLN 143 Cb -0.02 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.62 1iq5 h GLN 143 CO -0.09 0.18 -1.07 0.52 -1.93 0.00 0.00 178.83 176.44 1iq5 h MET 144 N 0.28 0.45 0.00 1.69 2.86 -0.99 -3.34 114.93 115.89 1iq5 h MET 144 Ca 0.07 -0.55 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1iq5 h MET 144 Cb -0.03 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1iq5 h MET 144 CO -0.02 1.20 -0.00 0.52 1.06 0.00 0.00 176.91 179.68 1iq5 h MET 145 N 0.22 -0.01 -2.19 1.72 2.86 -0.80 -3.33 114.93 113.41 1iq5 h MET 145 Ca -0.12 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.30 1iq5 h MET 145 Cb 1.73 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.34 1iq5 h MET 145 CO 0.19 0.68 0.11 0.25 1.06 0.00 0.00 176.91 179.19 1iq5 n THR 146 N -4.76 2.89 0.00 2.22 -2.24 0.13 -5.08 114.28 107.45 1iq5 n THR 146 Ca -0.09 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1iq5 n THR 146 Cb 0.34 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 1iq5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50