#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq4 n ASN 2 N 0.00 2.56 -0.15 3.17 2.85 -1.26 -4.82 115.26 117.61 1iq4 n ASN 2 Ca 0.00 1.19 -0.03 0.00 -0.11 0.00 0.00 54.58 55.63 1iq4 n ASN 2 Cb 0.00 -1.45 0.04 0.00 1.24 0.00 0.00 39.78 39.61 1iq4 n ASN 2 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1iq4 h ARG 3 N 2.72 0.05 -0.13 1.20 2.43 -1.99 -0.78 114.38 117.88 1iq4 h ARG 3 Ca -0.45 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.55 1iq4 h ARG 3 Cb 1.29 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1iq4 h ARG 3 CO 0.64 0.03 -0.61 1.25 -1.51 0.00 0.00 179.97 179.78 1iq4 h LEU 4 N 0.05 0.50 -1.15 3.80 5.85 -1.90 -1.52 115.31 120.95 1iq4 h LEU 4 Ca 0.23 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1iq4 h LEU 4 Cb 0.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1iq4 h LEU 4 CO -0.44 0.99 -0.24 0.50 -0.34 0.00 0.00 178.44 178.90 1iq4 h LYS 5 N 0.33 0.29 -0.44 1.25 3.64 -1.82 0.64 116.57 120.46 1iq4 h LYS 5 Ca -0.01 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.15 1iq4 h LYS 5 Cb 1.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1iq4 h LYS 5 CO 0.11 0.53 -0.24 1.49 -2.27 0.00 0.00 179.45 179.06 1iq4 h GLU 6 N 0.26 0.94 -0.58 1.90 4.81 -0.77 -0.16 114.58 120.97 1iq4 h GLU 6 Ca 0.04 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1iq4 h GLU 6 Cb 0.58 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1iq4 h GLU 6 CO 0.04 1.08 0.21 -0.22 -0.73 0.00 0.00 179.01 179.39 1iq4 h LYS 7 N 0.77 0.89 0.31 1.92 3.64 -0.93 0.17 116.57 123.35 1iq4 h LYS 7 Ca 0.09 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1iq4 h LYS 7 Cb 0.82 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1iq4 h LYS 7 CO 0.07 0.78 -0.29 -0.92 -2.27 0.00 0.00 179.45 176.82 1iq4 h TYR 8 N 0.82 -0.79 -0.48 1.91 3.20 -0.45 0.12 116.97 121.30 1iq4 h TYR 8 Ca 0.19 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1iq4 h TYR 8 Cb 0.25 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1iq4 h TYR 8 CO 0.01 -0.43 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.87 1iq4 h LEU 9 N -0.63 0.96 0.00 2.82 3.38 -0.84 0.83 115.31 121.83 1iq4 h LEU 9 Ca -0.02 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 1iq4 h LEU 9 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1iq4 h LEU 9 CO -0.05 1.11 -1.10 0.78 0.09 0.00 0.00 178.44 179.27 1iq4 h ASN 10 N 0.83 0.00 0.00 -0.43 2.35 -0.62 -3.39 115.58 114.33 1iq4 h ASN 10 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1iq4 h ASN 10 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1iq4 h ASN 10 CO 0.06 0.35 -0.97 -0.62 -1.65 0.00 0.00 177.43 174.59 1iq4 n GLU 11 N -2.87 0.00 -0.08 0.81 1.02 0.27 -4.74 120.64 115.06 1iq4 n GLU 11 Ca -0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1iq4 n GLU 11 Cb 0.71 -0.59 -0.05 0.00 -0.02 0.00 0.00 31.44 31.49 1iq4 n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iq4 h VAL 12 N 0.00 1.31 -0.00 2.62 2.07 -0.71 -2.54 116.25 119.00 1iq4 h VAL 12 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1iq4 h VAL 12 Cb 0.97 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1iq4 h VAL 12 CO 0.00 0.38 -0.00 0.58 0.02 0.00 0.00 177.57 178.55 1iq4 h VAL 13 N 0.18 0.99 -0.30 2.57 2.07 -1.04 0.16 116.25 120.88 1iq4 h VAL 13 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1iq4 h VAL 13 Cb 0.64 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1iq4 h VAL 13 CO 0.04 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.13 1iq4 h PRO 14 N -0.00 0.48 -0.66 1.57 0.13 -1.80 0.36 132.00 132.08 1iq4 h PRO 14 Ca 0.00 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 1iq4 h PRO 14 Cb 0.01 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 1iq4 h PRO 14 CO -0.00 0.54 0.11 0.00 -0.23 0.00 0.00 178.00 178.41 1iq4 h ALA 15 N 1.50 0.88 -0.26 -0.56 0.00 -0.92 -0.93 119.26 118.97 1iq4 h ALA 15 Ca 0.09 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1iq4 h ALA 15 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iq4 h ALA 15 CO 0.02 0.65 -0.55 -0.07 0.00 0.00 0.00 179.25 179.29 1iq4 h LEU 16 N 1.02 0.87 -1.13 0.00 3.38 -0.23 0.18 115.31 119.41 1iq4 h LEU 16 Ca 0.20 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1iq4 h LEU 16 Cb 0.44 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1iq4 h LEU 16 CO 0.01 1.24 0.60 0.24 0.09 0.00 0.00 178.44 180.62 1iq4 h MET 17 N 0.60 1.01 0.05 1.13 2.86 0.03 -0.29 114.93 120.32 1iq4 h MET 17 Ca 0.01 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.31 1iq4 h MET 17 Cb 1.14 -0.23 0.02 0.00 0.06 0.00 0.00 31.60 32.59 1iq4 h MET 17 CO 0.12 0.67 -1.14 0.77 1.06 0.00 0.00 176.91 178.39 1iq4 h SER 18 N 1.04 0.89 0.06 1.22 0.02 -0.83 0.41 113.55 116.36 1iq4 h SER 18 Ca 0.40 -0.76 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 1iq4 h SER 18 Cb 0.22 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1iq4 h SER 18 CO -0.16 1.56 -0.39 0.50 -1.14 0.00 0.00 176.83 177.21 1iq4 h LYS 19 N 0.34 0.43 0.00 3.45 1.63 -0.30 -3.33 116.57 118.79 1iq4 h LYS 19 Ca -0.16 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1iq4 h LYS 19 Cb 1.80 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1iq4 h LYS 19 CO 0.22 0.75 0.00 1.19 -3.45 0.00 0.00 179.45 178.16 1iq4 n PHE 20 N -4.04 0.00 -3.84 1.91 3.01 -0.15 -5.04 117.46 109.31 1iq4 n PHE 20 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 1iq4 n PHE 20 Cb 0.49 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1iq4 n PHE 20 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1iq4 n ASN 21 N -0.09 -2.05 -4.72 4.37 5.03 0.13 -4.92 115.26 113.01 1iq4 n ASN 21 Ca 0.00 -0.86 -0.34 0.00 0.87 0.00 0.00 54.58 54.25 1iq4 n ASN 21 Cb 0.01 -3.72 0.10 0.00 -1.02 0.00 0.00 39.78 35.14 1iq4 n ASN 21 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1iq4 s TYR 22 N -3.62 2.10 0.19 3.10 1.51 -1.24 -4.92 117.35 114.47 1iq4 s TYR 22 Ca 0.22 1.62 -0.08 0.00 -1.01 0.00 0.00 57.07 57.81 1iq4 s TYR 22 Cb -0.11 -3.40 0.09 0.00 -0.11 0.00 0.00 41.96 38.44 1iq4 s TYR 22 CO 0.84 -2.47 1.63 -0.22 -1.11 0.00 0.00 175.55 174.22 1iq4 h LYS 23 N -0.48 1.00 -3.54 -0.62 3.64 -1.96 -3.47 116.57 111.15 1iq4 h LYS 23 Ca -0.47 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 58.48 1iq4 h LYS 23 Cb 1.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1iq4 h LYS 23 CO 0.49 1.03 -0.00 -1.54 -2.27 0.00 0.00 179.45 177.16 1iq4 s SER 24 N -6.64 0.15 0.59 4.20 1.04 -1.26 -5.02 113.70 106.77 1iq4 s SER 24 Ca -0.11 -1.07 0.33 0.00 0.48 0.00 0.00 55.95 55.58 1iq4 s SER 24 Cb 0.13 0.68 1.87 0.00 0.10 0.00 0.00 66.02 68.81 1iq4 s SER 24 CO 0.86 -1.33 2.24 -0.29 0.98 0.00 0.00 173.24 175.70 1iq4 h ILE 25 N 2.13 0.41 0.00 -1.02 2.10 -1.98 -2.01 117.51 117.14 1iq4 h ILE 25 Ca -0.27 -0.12 -0.04 0.00 1.08 0.00 0.00 64.86 65.51 1iq4 h ILE 25 Cb 1.25 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.05 1iq4 h ILE 25 CO 0.36 0.02 -0.19 0.24 -1.08 0.00 0.00 178.15 177.50 1iq4 h MET 26 N 0.00 0.00 -0.00 2.19 2.86 -2.00 -2.52 114.93 115.46 1iq4 h MET 26 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1iq4 h MET 26 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1iq4 h MET 26 CO 0.00 0.19 -0.35 1.04 1.06 0.00 0.00 176.91 178.86 1iq4 n GLN 27 N -3.57 0.07 -2.29 1.72 6.02 -0.76 -4.89 117.38 113.68 1iq4 n GLN 27 Ca -0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1iq4 n GLN 27 Cb 0.33 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 1iq4 n GLN 27 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1iq4 s VAL 28 N -2.95 3.57 0.53 5.09 1.01 -0.95 -4.97 120.40 121.73 1iq4 s VAL 28 Ca 0.13 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 1iq4 s VAL 28 Cb 0.18 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1iq4 s VAL 28 CO 0.64 0.12 1.31 -2.84 0.00 0.00 0.00 175.10 174.33 1iq4 s PRO 29 N 0.68 3.26 0.13 2.72 0.02 -1.26 -4.97 135.00 135.58 1iq4 s PRO 29 Ca 0.60 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.74 1iq4 s PRO 29 Cb -0.34 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 1iq4 s PRO 29 CO 0.32 -1.05 -0.03 -1.59 -0.33 0.00 0.00 177.00 174.32 1iq4 s LYS 30 N -2.89 0.97 0.02 5.54 -2.85 -1.26 -4.94 119.74 114.33 1iq4 s LYS 30 Ca 0.70 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 1iq4 s LYS 30 Cb -0.37 -0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.15 1iq4 s LYS 30 CO 0.44 -0.08 0.97 0.42 0.10 0.00 0.00 175.35 177.19 1iq4 s ILE 31 N -3.66 4.81 -0.22 3.79 1.01 -1.26 -1.16 121.20 124.51 1iq4 s ILE 31 Ca 0.18 2.04 -0.18 0.00 0.00 0.00 0.00 60.65 62.69 1iq4 s ILE 31 Cb 0.06 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 38.04 1iq4 s ILE 31 CO -0.00 0.19 0.06 1.21 0.00 0.00 0.00 174.94 176.40 1iq4 n GLU 32 N 3.69 0.59 -3.62 2.79 2.13 0.14 -4.91 120.64 121.44 1iq4 n GLU 32 Ca 0.05 0.46 -0.10 0.00 0.66 0.00 0.00 57.16 58.23 1iq4 n GLU 32 Cb 0.51 -1.67 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 1iq4 n GLU 32 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1iq4 s LYS 33 N -2.42 1.22 -0.12 5.31 -2.85 -1.08 -4.61 119.74 115.20 1iq4 s LYS 33 Ca -0.31 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 53.96 1iq4 s LYS 33 Cb 0.08 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 1iq4 s LYS 33 CO 0.58 -0.50 -0.14 0.42 0.10 0.00 0.00 175.35 175.80 1iq4 s ILE 34 N -3.81 1.47 -0.30 3.79 1.01 -0.29 -1.48 121.20 121.58 1iq4 s ILE 34 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1iq4 s ILE 34 Cb 0.00 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1iq4 s ILE 34 CO -0.09 0.44 0.15 -0.69 0.00 0.00 0.00 174.94 174.74 1iq4 s VAL 35 N 1.13 4.61 -0.34 2.92 1.01 0.41 0.08 120.40 130.21 1iq4 s VAL 35 Ca -0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1iq4 s VAL 35 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1iq4 s VAL 35 CO -0.04 0.11 0.22 -0.63 0.00 0.00 0.00 175.10 174.75 1iq4 s ILE 36 N 1.62 5.03 -0.06 2.22 1.01 0.47 0.02 121.20 131.51 1iq4 s ILE 36 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1iq4 s ILE 36 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1iq4 s ILE 36 CO 0.06 -0.02 -0.17 0.21 0.00 0.00 0.00 174.94 175.02 1iq4 s ASN 37 N 1.68 3.79 -0.26 3.58 3.84 0.57 -1.22 114.94 126.91 1iq4 s ASN 37 Ca 0.05 -0.29 0.01 0.00 0.21 0.00 0.00 52.86 52.84 1iq4 s ASN 37 Cb -0.18 -0.90 0.07 0.00 -0.55 0.00 0.00 41.25 39.70 1iq4 s ASN 37 CO 0.09 0.30 -0.01 -0.32 -2.79 0.00 0.00 177.10 174.37 1iq4 s MET 38 N -0.48 1.36 0.32 0.43 1.75 -0.24 -0.88 119.30 121.57 1iq4 s MET 38 Ca 0.06 -1.05 -0.28 0.00 -1.25 0.00 0.00 55.69 53.17 1iq4 s MET 38 Cb -0.12 -2.52 -0.09 0.00 2.84 0.00 0.00 34.83 34.94 1iq4 s MET 38 CO 0.01 -0.71 1.12 0.20 -0.65 0.00 0.00 175.02 175.00 1iq4 s GLY 39 N 1.42 2.98 -0.39 2.11 0.00 -1.26 -1.67 107.32 110.50 1iq4 s GLY 39 Ca -0.01 0.91 0.08 0.00 0.00 0.00 0.00 44.72 45.71 1iq4 s GLY 39 CO -0.10 1.48 0.54 -0.62 0.00 0.00 0.00 173.10 174.41 1iq4 n VAL 40 N 0.78 -0.59 -0.22 1.40 0.31 0.36 -4.89 118.33 115.48 1iq4 n VAL 40 Ca 0.01 -4.08 0.02 0.00 -0.01 0.00 0.00 64.34 60.27 1iq4 n VAL 40 Cb 0.45 -1.83 0.06 0.00 -0.91 0.00 0.00 33.84 31.62 1iq4 n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iq4 n GLY 41 N 1.31 -1.08 0.00 2.92 0.00 -1.22 -3.12 105.19 104.00 1iq4 n GLY 41 Ca 0.22 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1iq4 n GLY 41 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iq4 n ASP 42 N -4.93 0.00 0.00 1.61 5.68 -1.26 -4.73 116.55 112.93 1iq4 n ASP 42 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1iq4 n ASP 42 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1iq4 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iq4 n ALA 43 N -3.00 0.00 -0.04 2.12 0.00 -1.18 -4.51 120.51 113.89 1iq4 n ALA 43 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1iq4 n ALA 43 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1iq4 n ALA 43 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1iq4 h VAL 44 N 0.00 1.39 0.00 0.00 3.04 -1.85 -2.95 116.25 115.88 1iq4 h VAL 44 Ca 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1iq4 h VAL 44 Cb 0.00 2.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1iq4 h VAL 44 CO 0.00 0.41 -0.39 0.00 -1.01 0.00 0.00 177.57 176.58 1iq4 n GLN 45 N -4.56 0.08 -3.24 4.17 10.64 -1.26 -4.34 117.38 118.86 1iq4 n GLN 45 Ca -0.07 0.03 -0.25 0.00 -1.83 0.00 0.00 57.00 54.88 1iq4 n GLN 45 Cb 0.39 -1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 28.14 1iq4 n GLN 45 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1iq4 n ASN 46 N -1.67 1.23 -0.42 2.61 2.85 -1.22 -4.97 115.26 113.67 1iq4 n ASN 46 Ca 0.05 -2.92 0.35 0.00 -0.11 0.00 0.00 54.58 51.95 1iq4 n ASN 46 Cb 0.36 -0.65 0.66 0.00 1.24 0.00 0.00 39.78 41.40 1iq4 n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1iq4 h PRO 47 N 3.97 0.13 -0.06 1.20 0.11 -1.71 0.83 132.00 136.47 1iq4 h PRO 47 Ca 0.11 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1iq4 h PRO 47 Cb 0.82 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1iq4 h PRO 47 CO 0.57 0.09 -0.56 0.87 -0.21 0.00 0.00 178.00 178.75 1iq4 h LYS 48 N 0.14 0.18 -0.13 1.05 1.79 -1.93 -1.91 116.57 115.75 1iq4 h LYS 48 Ca 0.72 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.98 1iq4 h LYS 48 Cb 2.38 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 33.03 1iq4 h LYS 48 CO -0.24 0.69 -0.33 0.00 -1.08 0.00 0.00 179.45 178.49 1iq4 h ALA 49 N 1.28 1.20 -0.12 3.86 0.00 -1.19 -0.52 119.26 123.77 1iq4 h ALA 49 Ca -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1iq4 h ALA 49 Cb 1.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1iq4 h ALA 49 CO 0.08 0.53 -0.79 1.25 0.00 0.00 0.00 179.25 180.33 1iq4 h LEU 50 N 0.23 0.90 -0.92 0.00 5.85 -1.47 -1.92 115.31 117.98 1iq4 h LEU 50 Ca 0.03 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.10 1iq4 h LEU 50 Cb 0.70 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1iq4 h LEU 50 CO 0.05 1.41 0.60 0.44 -0.34 0.00 0.00 178.44 180.61 1iq4 h ASP 51 N 0.45 1.06 -0.34 1.25 3.45 -1.04 -0.59 116.42 120.67 1iq4 h ASP 51 Ca -0.06 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 1iq4 h ASP 51 Cb 1.43 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 1iq4 h ASP 51 CO 0.16 0.78 0.01 0.28 -1.57 0.00 0.00 179.24 178.90 1iq4 h SER 52 N 1.25 0.58 -0.42 6.45 0.02 -1.03 -1.22 113.55 119.18 1iq4 h SER 52 Ca 0.34 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1iq4 h SER 52 Cb -0.13 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 1iq4 h SER 52 CO -0.07 0.74 0.18 0.00 -1.14 0.00 0.00 176.83 176.53 1iq4 h ALA 53 N 0.86 0.51 -0.76 3.77 0.00 -0.90 0.18 119.26 122.91 1iq4 h ALA 53 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iq4 h ALA 53 Cb 0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1iq4 h ALA 53 CO 0.02 -0.20 0.46 0.28 0.00 0.00 0.00 179.25 179.81 1iq4 h VAL 54 N 0.37 1.21 -0.20 0.00 2.07 -0.94 0.39 116.25 119.15 1iq4 h VAL 54 Ca 0.19 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1iq4 h VAL 54 Cb 0.13 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1iq4 h VAL 54 CO -0.16 0.22 -0.36 -0.08 0.02 0.00 0.00 177.57 177.21 1iq4 h GLU 55 N 1.04 0.59 -0.59 1.57 4.57 -0.60 -2.35 114.58 118.82 1iq4 h GLU 55 Ca 0.27 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1iq4 h GLU 55 Cb -0.04 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1iq4 h GLU 55 CO -0.05 0.99 0.21 0.93 -1.18 0.00 0.00 179.01 179.90 1iq4 h GLU 56 N 0.27 0.87 -0.44 1.92 5.08 -0.50 -1.49 114.58 120.29 1iq4 h GLU 56 Ca 0.01 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1iq4 h GLU 56 Cb 0.96 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1iq4 h GLU 56 CO 0.08 0.73 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.60 1iq4 h LEU 57 N 0.85 0.83 -0.98 1.33 3.38 -0.90 0.67 115.31 120.50 1iq4 h LEU 57 Ca 0.20 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1iq4 h LEU 57 Cb 0.21 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1iq4 h LEU 57 CO -0.01 0.99 0.65 0.74 0.09 0.00 0.00 178.44 180.89 1iq4 h THR 58 N 0.74 1.25 -0.25 0.22 2.02 -0.84 0.19 112.91 116.24 1iq4 h THR 58 Ca 0.11 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 1iq4 h THR 58 Cb 0.67 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1iq4 h THR 58 CO 0.05 0.24 -0.18 -0.07 0.37 0.00 0.00 175.52 175.93 1iq4 h LEU 59 N 1.33 0.59 -0.54 2.58 3.38 -0.77 -1.29 115.31 120.58 1iq4 h LEU 59 Ca 0.36 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1iq4 h LEU 59 Cb -0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1iq4 h LEU 59 CO -0.08 0.90 -0.04 0.40 0.09 0.00 0.00 178.44 179.71 1iq4 h ILE 60 N 0.27 1.27 -0.00 1.22 2.04 -0.48 -3.33 117.51 118.50 1iq4 h ILE 60 Ca 0.05 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1iq4 h ILE 60 Cb 0.71 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1iq4 h ILE 60 CO 0.05 0.42 -0.74 0.00 0.00 0.00 0.00 178.15 177.88 1iq4 n ALA 61 N -2.47 4.11 -2.26 1.87 0.00 0.62 -4.97 120.51 117.40 1iq4 n ALA 61 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 1iq4 n ALA 61 Cb 0.36 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1iq4 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq4 n GLY 62 N 1.39 -0.19 3.50 0.00 0.00 -0.49 -4.98 105.19 104.43 1iq4 n GLY 62 Ca 0.05 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1iq4 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iq4 s GLN 63 N -4.73 0.97 0.05 1.61 0.74 -1.23 -5.08 119.66 111.98 1iq4 s GLN 63 Ca 0.00 0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.43 1iq4 s GLN 63 Cb 0.00 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 1iq4 s GLN 63 CO 0.00 -0.27 1.17 1.03 -0.55 0.00 0.00 175.29 176.67 1iq4 s ARG 64 N -0.94 4.44 0.89 1.67 0.52 -1.26 -4.13 118.95 120.14 1iq4 s ARG 64 Ca -0.09 1.72 -0.13 0.00 -0.52 0.00 0.00 55.73 56.70 1iq4 s ARG 64 Cb -0.01 -3.37 0.15 0.00 0.52 0.00 0.00 34.95 32.24 1iq4 s ARG 64 CO 0.08 -0.24 1.24 -1.25 0.02 0.00 0.00 175.30 175.15 1iq4 s PRO 65 N 1.12 1.18 0.08 3.54 0.04 -1.26 -4.88 135.00 134.82 1iq4 s PRO 65 Ca 0.58 -0.31 0.09 0.00 0.04 0.00 0.00 61.00 61.39 1iq4 s PRO 65 Cb -0.28 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1iq4 s PRO 65 CO 0.29 -2.04 -0.23 0.14 0.04 0.00 0.00 177.00 175.19 1iq4 s VAL 66 N -3.71 1.91 0.19 -0.36 -7.23 0.11 -4.91 120.40 106.39 1iq4 s VAL 66 Ca 0.69 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 1iq4 s VAL 66 Cb -0.06 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 1iq4 s VAL 66 CO 0.51 0.13 1.14 -0.69 -0.31 0.00 0.00 175.10 175.88 1iq4 s VAL 67 N -0.97 3.73 0.15 1.32 1.01 -1.26 -0.90 120.40 123.47 1iq4 s VAL 67 Ca 0.09 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 1iq4 s VAL 67 Cb -0.10 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1iq4 s VAL 67 CO 0.04 0.25 0.35 0.42 0.00 0.00 0.00 175.10 176.16 1iq4 s THR 68 N -0.21 5.22 0.11 3.92 -4.23 -0.07 -4.90 115.64 115.48 1iq4 s THR 68 Ca 0.50 -0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1iq4 s THR 68 Cb -0.31 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1iq4 s THR 68 CO 0.36 -0.02 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.19 1iq4 s ARG 69 N -2.86 0.90 0.42 3.99 0.52 -1.26 -0.61 118.95 120.04 1iq4 s ARG 69 Ca 0.39 -1.19 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 1iq4 s ARG 69 Cb -0.12 -0.61 -0.08 0.00 0.52 0.00 0.00 34.95 34.66 1iq4 s ARG 69 CO 0.27 0.10 1.31 0.00 0.02 0.00 0.00 175.30 176.99 1iq4 s ALA 70 N -2.45 3.21 0.73 2.13 0.00 0.06 -4.81 121.76 120.63 1iq4 s ALA 70 Ca 0.07 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.21 1iq4 s ALA 70 Cb -0.03 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1iq4 s ALA 70 CO 0.01 -0.88 1.03 0.15 0.00 0.00 0.00 175.76 176.06 1iq4 s LYS 71 N -2.33 1.92 0.50 0.00 -0.14 -1.26 -0.84 119.74 117.58 1iq4 s LYS 71 Ca 0.59 -0.50 -0.23 0.00 -1.36 0.00 0.00 55.97 54.47 1iq4 s LYS 71 Cb -0.38 -2.19 -0.07 0.00 -1.68 0.00 0.00 37.83 33.50 1iq4 s LYS 71 CO 0.48 -1.38 1.19 1.17 -0.76 0.00 0.00 175.35 176.06 1iq4 n LYS 72 N -2.96 1.56 -2.83 1.68 4.81 -1.26 -4.16 118.16 115.00 1iq4 n LYS 72 Ca 0.10 0.57 -0.04 0.00 -0.87 0.00 0.00 58.31 58.07 1iq4 n LYS 72 Cb 0.60 -2.34 0.02 0.00 0.02 0.00 0.00 35.03 33.32 1iq4 n LYS 72 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1iq4 n SER 73 N -0.31 -1.29 0.00 3.14 7.64 -1.26 -4.99 113.62 116.56 1iq4 n SER 73 Ca 0.10 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1iq4 n SER 73 Cb 0.43 2.12 0.00 0.00 -1.01 0.00 0.00 64.21 65.75 1iq4 n SER 73 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iq4 n ILE 74 N -0.39 0.00 -2.88 0.44 5.41 -1.26 -4.95 119.36 115.73 1iq4 n ILE 74 Ca -0.04 0.06 -0.19 0.00 1.00 0.00 0.00 62.75 63.58 1iq4 n ILE 74 Cb 0.37 -1.04 0.04 0.00 -0.71 0.00 0.00 39.64 38.30 1iq4 n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iq4 s ALA 75 N -4.65 4.33 0.00 -1.39 0.00 -1.26 -4.89 121.76 113.91 1iq4 s ALA 75 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1iq4 s ALA 75 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1iq4 s ALA 75 CO 0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1iq4 n GLY 76 N -2.16 0.00 2.20 0.00 0.00 -1.26 -4.87 105.19 99.11 1iq4 n GLY 76 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1iq4 n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iq4 n PHE 77 N 0.00 -0.48 -1.94 1.61 3.01 -1.26 -4.61 117.46 113.79 1iq4 n PHE 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1iq4 n PHE 77 Cb 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 39.48 36.99 1iq4 n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1iq4 n ARG 78 N -2.04 -5.35 -0.18 -1.08 1.74 -1.26 -5.00 116.66 103.50 1iq4 n ARG 78 Ca -0.12 3.86 0.00 0.00 -0.77 0.00 0.00 57.85 60.82 1iq4 n ARG 78 Cb 0.59 -4.26 0.00 0.00 -1.02 0.00 0.00 32.46 27.76 1iq4 n ARG 78 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1iq4 n LEU 79 N 0.56 -2.26 0.09 0.55 7.94 -1.26 -5.10 117.00 117.52 1iq4 n LEU 79 Ca 0.00 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1iq4 n LEU 79 Cb 0.00 0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1iq4 n LEU 79 CO 0.00 -0.05 0.00 -1.14 -1.11 0.00 0.00 177.39 175.09 1iq4 n ARG 80 N -0.36 0.00 -1.65 1.96 3.00 -1.26 -4.79 116.66 113.56 1iq4 n ARG 80 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.36 1iq4 n ARG 80 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1iq4 n ARG 80 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1iq4 n GLN 81 N -2.95 1.72 0.00 -0.14 7.27 -1.26 -1.77 117.38 120.25 1iq4 n GLN 81 Ca 0.00 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1iq4 n GLN 81 Cb 0.00 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.30 1iq4 n GLN 81 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iq4 n GLY 82 N 3.27 1.72 3.76 1.69 0.00 -0.02 -4.94 105.19 110.67 1iq4 n GLY 82 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1iq4 n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iq4 s MET 83 N -0.87 4.41 0.33 1.61 -1.94 -0.73 -4.61 119.30 117.50 1iq4 s MET 83 Ca 0.00 2.13 -0.29 0.00 -1.71 0.00 0.00 55.69 55.82 1iq4 s MET 83 Cb 0.00 -3.10 -0.10 0.00 2.01 0.00 0.00 34.83 33.64 1iq4 s MET 83 CO 0.00 -0.12 1.30 -2.14 -0.01 0.00 0.00 175.02 174.05 1iq4 s PRO 84 N -1.59 4.37 0.00 2.03 0.02 -1.26 -0.76 135.00 137.80 1iq4 s PRO 84 Ca 0.49 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1iq4 s PRO 84 Cb -0.38 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1iq4 s PRO 84 CO 0.50 -0.18 0.68 0.44 -0.33 0.00 0.00 177.00 178.11 1iq4 n ILE 85 N 0.84 0.42 -3.22 2.83 -5.35 0.21 -4.26 119.36 110.84 1iq4 n ILE 85 Ca 0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1iq4 n ILE 85 Cb 0.42 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1iq4 n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iq4 n GLY 86 N -0.21 -0.24 3.28 3.28 0.00 -1.23 -0.48 105.19 109.59 1iq4 n GLY 86 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1iq4 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq4 s ALA 87 N -1.00 -0.80 0.06 4.61 0.00 -0.67 -0.89 121.76 123.07 1iq4 s ALA 87 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 1iq4 s ALA 87 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1iq4 s ALA 87 CO 0.00 -0.43 0.21 -1.59 0.00 0.00 0.00 175.76 173.96 1iq4 s LYS 88 N -2.52 0.78 -0.03 0.00 -2.85 -0.08 -1.08 119.74 113.96 1iq4 s LYS 88 Ca -0.05 -0.75 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1iq4 s LYS 88 Cb -0.01 0.32 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1iq4 s LYS 88 CO -0.03 -0.24 -0.03 0.54 0.10 0.00 0.00 175.35 175.69 1iq4 s VAL 89 N -3.12 0.34 -0.26 1.79 0.11 -0.36 0.04 120.40 118.94 1iq4 s VAL 89 Ca -0.01 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1iq4 s VAL 89 Cb 0.01 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1iq4 s VAL 89 CO -0.07 0.16 0.08 -0.89 -3.33 0.00 0.00 175.10 171.05 1iq4 s THR 90 N 0.70 4.30 -0.10 5.04 2.01 -1.26 -0.40 115.64 125.93 1iq4 s THR 90 Ca -0.08 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1iq4 s THR 90 Cb -0.11 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1iq4 s THR 90 CO -0.01 0.30 0.14 -0.76 -0.69 0.00 0.00 174.62 173.61 1iq4 s LEU 91 N 1.61 4.35 0.20 4.42 1.43 0.11 -4.92 118.68 125.89 1iq4 s LEU 91 Ca 0.06 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1iq4 s LEU 91 Cb -0.15 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1iq4 s LEU 91 CO 0.04 0.38 0.05 -0.13 0.23 0.00 0.00 176.35 176.92 1iq4 s ARG 92 N -1.19 1.22 3.82 1.70 0.52 -1.26 -1.14 118.95 122.62 1iq4 s ARG 92 Ca 0.17 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1iq4 s ARG 92 Cb -0.12 -0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.16 1iq4 s ARG 92 CO 0.07 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1iq4 n GLY 93 N -0.32 2.17 0.27 -3.53 0.00 -1.26 -2.48 105.19 100.04 1iq4 n GLY 93 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1iq4 n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iq4 h GLU 94 N 0.00 0.66 -0.19 1.61 4.81 -1.99 -0.86 114.58 118.62 1iq4 h GLU 94 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1iq4 h GLU 94 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1iq4 h GLU 94 CO 0.00 0.44 -0.11 0.00 -0.73 0.00 0.00 179.01 178.61 1iq4 h ARG 95 N 0.68 0.29 -0.26 1.92 3.08 -1.98 -0.89 114.38 117.23 1iq4 h ARG 95 Ca 0.34 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 1iq4 h ARG 95 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1iq4 h ARG 95 CO -0.23 0.42 -0.00 1.98 -1.07 0.00 0.00 179.97 181.07 1iq4 h MET 96 N 0.28 0.46 -0.42 0.04 4.05 -0.88 -0.60 114.93 117.86 1iq4 h MET 96 Ca 0.06 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.24 1iq4 h MET 96 Cb 0.38 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1iq4 h MET 96 CO 0.02 0.63 -0.11 1.88 0.23 0.00 0.00 176.91 179.56 1iq4 h TYR 97 N 0.24 0.82 -0.44 1.39 -1.99 -0.77 -1.25 116.97 114.97 1iq4 h TYR 97 Ca 0.07 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1iq4 h TYR 97 Cb 0.42 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 1iq4 h TYR 97 CO 0.04 0.83 0.17 0.93 -0.00 0.00 0.00 178.16 180.12 1iq4 h GLU 98 N 0.68 0.67 -0.22 4.88 5.08 -1.02 -1.28 114.58 123.38 1iq4 h GLU 98 Ca 0.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1iq4 h GLU 98 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1iq4 h GLU 98 CO 0.04 0.62 0.10 0.35 -1.00 0.00 0.00 179.01 179.12 1iq4 h PHE 99 N 0.58 0.31 -0.51 4.33 3.57 -0.89 -2.22 116.94 122.11 1iq4 h PHE 99 Ca 0.15 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1iq4 h PHE 99 Cb 0.21 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1iq4 h PHE 99 CO 0.00 0.32 0.02 1.25 -2.23 0.00 0.00 178.31 177.67 1iq4 h LEU 100 N 0.21 0.80 -0.39 0.59 5.85 -1.14 -0.10 115.31 121.14 1iq4 h LEU 100 Ca 0.07 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1iq4 h LEU 100 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1iq4 h LEU 100 CO -0.01 0.86 0.25 -0.78 -0.34 0.00 0.00 178.44 178.42 1iq4 h ASP 101 N 0.78 0.42 0.03 1.25 -0.00 -1.10 0.02 116.42 117.83 1iq4 h ASP 101 Ca 0.15 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.03 57.04 1iq4 h ASP 101 Cb 0.44 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.67 1iq4 h ASP 101 CO 0.02 0.30 -0.46 0.11 -0.00 0.00 0.00 179.24 179.21 1iq4 h LYS 102 N 0.51 0.51 -0.27 0.28 1.57 -1.11 -1.60 116.57 116.45 1iq4 h LYS 102 Ca 0.15 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1iq4 h LYS 102 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1iq4 h LYS 102 CO -0.05 0.87 0.17 1.25 -0.57 0.00 0.00 179.45 181.12 1iq4 h LEU 103 N 0.41 0.30 -0.15 2.94 5.85 -0.56 0.25 115.31 124.35 1iq4 h LEU 103 Ca 0.03 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1iq4 h LEU 103 Cb 0.97 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1iq4 h LEU 103 CO 0.09 0.21 -0.18 0.40 -0.34 0.00 0.00 178.44 178.62 1iq4 h ILE 104 N 0.36 1.35 0.00 4.05 2.04 -0.90 -1.27 117.51 123.13 1iq4 h ILE 104 Ca 0.10 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1iq4 h ILE 104 Cb -0.03 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1iq4 h ILE 104 CO -0.03 0.40 -1.16 -1.20 0.00 0.00 0.00 178.15 176.16 1iq4 n SER 105 N -4.51 0.85 0.02 1.72 7.64 -0.61 -4.55 113.62 114.17 1iq4 n SER 105 Ca -0.06 0.34 -0.02 0.00 1.01 0.00 0.00 58.87 60.14 1iq4 n SER 105 Cb 0.39 0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.94 1iq4 n SER 105 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1iq4 n VAL 106 N -2.75 1.07 0.31 0.44 0.31 0.79 -4.84 118.33 113.65 1iq4 n VAL 106 Ca -0.04 0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 1iq4 n VAL 106 Cb 0.65 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 1iq4 n VAL 106 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1iq4 h SER 107 N -0.15 -0.70 -0.86 4.52 0.02 -1.28 -3.27 113.55 111.84 1iq4 h SER 107 Ca -0.02 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.08 1iq4 h SER 107 Cb 0.34 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 1iq4 h SER 107 CO -0.01 -0.30 0.45 -0.07 -1.14 0.00 0.00 176.83 175.76 1iq4 h LEU 108 N -1.20 0.57 -2.19 5.07 3.38 -1.49 0.25 115.31 119.71 1iq4 h LEU 108 Ca -0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iq4 h LEU 108 Cb 0.64 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iq4 h LEU 108 CO 0.14 0.25 -0.05 -0.65 0.09 0.00 0.00 178.44 178.21 1iq4 h PRO 109 N 0.66 0.00 0.00 1.13 0.11 -1.80 -2.00 132.00 130.09 1iq4 h PRO 109 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1iq4 h PRO 109 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1iq4 h PRO 109 CO -0.35 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 178.03 1iq4 n ARG 110 N -3.40 0.45 -2.10 1.05 1.74 0.07 -4.77 116.66 109.70 1iq4 n ARG 110 Ca -0.02 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 1iq4 n ARG 110 Cb 0.19 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1iq4 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iq4 s ALA 111 N -2.49 3.42 0.12 7.54 0.00 -0.75 -4.88 121.76 124.71 1iq4 s ALA 111 Ca 0.27 1.24 -0.35 0.00 0.00 0.00 0.00 51.96 53.13 1iq4 s ALA 111 Cb 0.18 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.66 1iq4 s ALA 111 CO 0.39 -0.69 1.28 -2.13 0.00 0.00 0.00 175.76 174.62 1iq4 n ARG 112 N 0.59 1.19 -4.18 0.00 3.00 -1.26 -1.54 116.66 114.46 1iq4 n ARG 112 Ca 0.01 0.43 -0.29 0.00 -0.00 0.00 0.00 57.85 58.00 1iq4 n ARG 112 Cb 0.42 -2.02 -0.07 0.00 0.00 0.00 0.00 32.46 30.79 1iq4 n ARG 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1iq4 n ASP 113 N 2.36 0.42 -4.73 6.15 8.00 -1.26 -4.79 116.55 122.70 1iq4 n ASP 113 Ca 0.17 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 1iq4 n ASP 113 Cb 0.22 -2.15 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 1iq4 n ASP 113 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1iq4 s PHE 114 N -4.22 2.99 -0.01 1.24 5.36 -0.59 -4.89 117.98 117.87 1iq4 s PHE 114 Ca 0.01 0.73 0.07 0.00 -0.96 0.00 0.00 56.93 56.77 1iq4 s PHE 114 Cb -0.00 -3.94 0.12 0.00 -0.34 0.00 0.00 43.02 38.85 1iq4 s PHE 114 CO 0.96 -3.33 1.05 0.54 -1.46 0.00 0.00 175.22 172.98 1iq4 n ARG 115 N 3.28 0.09 0.00 10.12 5.12 -1.26 -5.09 116.66 128.92 1iq4 n ARG 115 Ca 0.11 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.69 1iq4 n ARG 115 Cb 0.38 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 1iq4 n ARG 115 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iq4 n GLY 116 N 0.02 0.61 3.92 -0.13 0.00 -1.26 -4.49 105.19 103.85 1iq4 n GLY 116 Ca 0.02 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1iq4 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iq4 s VAL 117 N -2.40 5.01 0.23 1.61 -7.23 0.68 -4.52 120.40 113.79 1iq4 s VAL 117 Ca 0.00 -1.06 -0.31 0.00 -1.81 0.00 0.00 61.98 58.80 1iq4 s VAL 117 Cb 0.00 -3.69 -0.12 0.00 0.56 0.00 0.00 36.38 33.13 1iq4 s VAL 117 CO 0.00 -0.29 1.67 -0.55 -0.31 0.00 0.00 175.10 175.63 1iq4 s SER 118 N -3.78 6.39 0.00 4.85 0.15 -1.26 0.40 113.70 120.45 1iq4 s SER 118 Ca 0.34 2.88 0.26 0.00 0.70 0.00 0.00 55.95 60.13 1iq4 s SER 118 Cb -0.09 -2.61 0.72 0.00 -1.71 0.00 0.00 66.02 62.33 1iq4 s SER 118 CO 0.28 -0.95 1.56 0.29 1.20 0.00 0.00 173.24 175.62 1iq4 n LYS 119 N 3.43 0.03 0.02 5.44 5.02 -1.26 -4.19 118.16 126.65 1iq4 n LYS 119 Ca 0.13 -0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 1iq4 n LYS 119 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 1iq4 n LYS 119 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iq4 n LYS 120 N -1.48 0.55 -1.18 1.97 5.02 -1.26 -4.74 118.16 117.05 1iq4 n LYS 120 Ca 0.06 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 1iq4 n LYS 120 Cb 0.34 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1iq4 n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1iq4 n SER 121 N -2.26 7.90 -4.69 4.39 3.41 -1.26 -4.87 113.62 116.24 1iq4 n SER 121 Ca -0.02 -2.51 -0.28 0.00 -0.26 0.00 0.00 58.87 55.80 1iq4 n SER 121 Cb 0.53 -1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 62.95 1iq4 n SER 121 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1iq4 s PHE 122 N 2.39 2.94 -2.12 7.33 0.40 -1.26 -0.71 117.98 126.95 1iq4 s PHE 122 Ca 0.64 -0.08 0.15 0.00 -0.60 0.00 0.00 56.93 57.04 1iq4 s PHE 122 Cb 0.17 -1.45 0.52 0.00 0.51 0.00 0.00 43.02 42.77 1iq4 s PHE 122 CO -0.05 0.50 1.39 -0.40 0.70 0.00 0.00 175.22 177.37 1iq4 n ASP 123 N 0.06 1.72 0.00 1.36 5.75 -0.55 -4.90 116.55 119.99 1iq4 n ASP 123 Ca -0.10 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1iq4 n ASP 123 Cb 0.54 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1iq4 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq4 n GLY 124 N 1.08 1.48 0.24 6.12 0.00 -1.26 -4.83 105.19 108.02 1iq4 n GLY 124 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1iq4 n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iq4 n ARG 125 N -2.00 1.02 -0.60 1.61 1.74 -1.26 -4.65 116.66 112.51 1iq4 n ARG 125 Ca 0.00 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 1iq4 n ARG 125 Cb 0.00 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1iq4 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iq4 n GLY 126 N -1.07 0.68 3.45 -0.13 0.00 -1.26 -4.68 105.19 102.18 1iq4 n GLY 126 Ca 0.13 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1iq4 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iq4 s ASN 127 N -2.22 3.80 -0.15 1.61 0.01 -1.26 -3.61 114.94 113.11 1iq4 s ASN 127 Ca 0.00 -0.41 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1iq4 s ASN 127 Cb 0.00 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1iq4 s ASN 127 CO 0.00 0.26 -0.01 -0.47 -1.51 0.00 0.00 177.10 175.37 1iq4 s TYR 128 N -0.91 3.09 -0.20 2.20 5.04 0.10 -1.48 117.35 125.20 1iq4 s TYR 128 Ca 0.14 -0.14 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 1iq4 s TYR 128 Cb -0.10 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1iq4 s TYR 128 CO 0.05 0.08 -0.02 0.99 -1.34 0.00 0.00 175.55 175.31 1iq4 s THR 129 N 0.17 3.75 -0.36 4.34 2.01 0.12 0.11 115.64 125.78 1iq4 s THR 129 Ca 0.00 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 1iq4 s THR 129 Cb -0.13 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 69.73 1iq4 s THR 129 CO 0.02 0.44 0.14 -0.22 -0.69 0.00 0.00 174.62 174.31 1iq4 s LEU 130 N 1.04 4.53 -0.19 4.42 2.96 0.81 -4.72 118.68 127.53 1iq4 s LEU 130 Ca 0.01 -1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 52.41 1iq4 s LEU 130 Cb -0.14 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1iq4 s LEU 130 CO 0.01 -0.38 1.04 -0.83 -1.32 0.00 0.00 176.35 174.87 1iq4 s GLY 131 N 1.55 1.88 -0.26 7.98 0.00 -1.26 -0.94 107.32 116.27 1iq4 s GLY 131 Ca -0.00 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.89 1iq4 s GLY 131 CO 0.03 2.13 0.08 -0.42 0.00 0.00 0.00 173.10 174.91 1iq4 s ILE 132 N 2.87 4.30 0.12 0.90 -1.09 0.13 -5.00 121.20 123.43 1iq4 s ILE 132 Ca 0.46 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 58.45 1iq4 s ILE 132 Cb -0.16 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1iq4 s ILE 132 CO 0.10 0.27 1.56 0.11 -1.23 0.00 0.00 174.94 175.75 1iq4 h LYS 133 N 8.25 0.69 -3.81 2.79 1.79 -1.90 0.10 116.57 124.49 1iq4 h LYS 133 Ca -0.37 -0.22 -0.47 0.00 -2.18 0.00 0.00 60.65 57.41 1iq4 h LYS 133 Cb 1.16 -0.06 -0.38 0.00 -1.58 0.00 0.00 32.23 31.37 1iq4 h LYS 133 CO 0.59 0.79 -0.77 -1.21 -1.08 0.00 0.00 179.45 177.76 1iq4 s GLU 134 N -4.98 0.83 0.20 3.15 2.02 -1.25 -2.85 118.70 115.82 1iq4 s GLU 134 Ca -0.13 -0.05 0.14 0.00 0.02 0.00 0.00 54.97 54.96 1iq4 s GLU 134 Cb 0.10 -1.26 0.75 0.00 0.10 0.00 0.00 34.13 33.82 1iq4 s GLU 134 CO 0.79 -0.34 1.43 0.00 0.02 0.00 0.00 175.26 177.17 1iq4 n GLN 135 N 5.09 0.09 0.32 1.61 0.00 0.17 -2.50 117.38 122.16 1iq4 n GLN 135 Ca -0.09 0.57 0.22 0.00 0.00 0.00 0.00 57.00 57.70 1iq4 n GLN 135 Cb 0.50 -1.79 1.12 0.00 0.00 0.00 0.00 30.24 30.06 1iq4 n GLN 135 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1iq4 h LEU 136 N 0.00 0.00 -2.38 2.61 3.38 -1.94 -2.43 115.31 114.54 1iq4 h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iq4 h LEU 136 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1iq4 h LEU 136 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 178.44 178.69 1iq4 h ILE 137 N 0.00 0.00 -3.27 1.22 3.07 -1.81 -3.41 117.51 113.32 1iq4 h ILE 137 Ca 0.00 -0.07 -0.58 0.00 1.55 0.00 0.00 64.86 65.75 1iq4 h ILE 137 Cb 0.09 0.96 -0.07 0.00 -0.27 0.00 0.00 36.82 37.53 1iq4 h ILE 137 CO 0.00 0.00 0.48 -0.36 -1.05 0.00 0.00 178.15 177.22 1iq4 s PHE 138 N -3.93 3.40 0.42 0.16 0.40 -0.92 -4.35 117.98 113.15 1iq4 s PHE 138 Ca -0.03 1.29 0.38 0.00 -0.60 0.00 0.00 56.93 57.97 1iq4 s PHE 138 Cb 0.11 -3.07 2.08 0.00 0.51 0.00 0.00 43.02 42.65 1iq4 s PHE 138 CO 0.38 -0.30 2.17 -1.00 0.70 0.00 0.00 175.22 177.17 1iq4 h PRO 139 N 7.39 0.00 0.00 0.24 0.13 -1.90 0.05 132.00 137.91 1iq4 h PRO 139 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1iq4 h PRO 139 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1iq4 h PRO 139 CO 0.86 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.02 1iq4 n GLU 140 N -2.84 0.24 -3.63 0.86 4.71 -1.26 -4.69 120.64 114.03 1iq4 n GLU 140 Ca -0.03 0.32 -0.37 0.00 -0.01 0.00 0.00 57.16 57.08 1iq4 n GLU 140 Cb 0.06 -1.86 -0.06 0.00 -1.01 0.00 0.00 31.44 28.57 1iq4 n GLU 140 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1iq4 s ILE 141 N -3.22 5.26 -0.22 -3.67 -1.09 0.00 -4.85 121.20 113.42 1iq4 s ILE 141 Ca 0.07 0.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1iq4 s ILE 141 Cb 0.11 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1iq4 s ILE 141 CO 0.50 0.54 -0.14 -0.62 -1.23 0.00 0.00 174.94 173.99 1iq4 s ASP 142 N -0.61 3.80 0.33 3.58 -1.08 -1.26 -4.89 116.67 116.54 1iq4 s ASP 142 Ca 0.19 -0.89 0.10 0.00 -0.52 0.00 0.00 52.55 51.43 1iq4 s ASP 142 Cb -0.14 -1.55 0.89 0.00 -1.46 0.00 0.00 42.92 40.66 1iq4 s ASP 142 CO 0.08 -0.08 1.75 0.22 0.52 0.00 0.00 175.17 177.65 1iq4 h TYR 143 N 7.92 0.96 0.00 -5.34 3.20 -1.94 0.17 116.97 121.94 1iq4 h TYR 143 Ca -0.36 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1iq4 h TYR 143 Cb 1.11 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1iq4 h TYR 143 CO 0.54 0.10 0.00 -0.25 -1.64 0.00 0.00 178.16 176.92 1iq4 n ASP 144 N -4.81 0.00 -0.06 -2.11 8.00 -1.26 -2.69 116.55 113.63 1iq4 n ASP 144 Ca 0.26 -0.09 0.04 0.00 0.71 0.00 0.00 54.79 55.71 1iq4 n ASP 144 Cb 0.73 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1iq4 n ASP 144 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1iq4 n LYS 145 N -1.23 1.94 -4.37 -1.24 5.02 0.58 -5.04 118.16 113.84 1iq4 n LYS 145 Ca 0.09 -1.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.20 1iq4 n LYS 145 Cb 0.12 -1.17 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 1iq4 n LYS 145 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1iq4 s VAL 146 N -1.74 2.13 -0.49 -0.18 -7.23 -1.09 -4.95 120.40 106.85 1iq4 s VAL 146 Ca 0.14 -1.74 0.24 0.00 -1.81 0.00 0.00 61.98 58.81 1iq4 s VAL 146 Cb 0.12 -1.90 0.26 0.00 0.56 0.00 0.00 36.38 35.42 1iq4 s VAL 146 CO 0.01 0.02 1.73 -3.20 -0.31 0.00 0.00 175.10 173.35 1iq4 n ASN 147 N 0.86 0.71 0.00 4.85 5.15 -1.26 -4.89 115.26 120.69 1iq4 n ASN 147 Ca -0.18 0.66 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1iq4 n ASN 147 Cb 0.54 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1iq4 n ASN 147 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1iq4 n LYS 148 N -2.27 0.00 -2.20 1.20 2.85 -1.26 -5.13 118.16 111.35 1iq4 n LYS 148 Ca 0.02 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.90 1iq4 n LYS 148 Cb 0.25 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.62 1iq4 n LYS 148 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1iq4 s VAL 149 N -2.00 2.95 0.18 0.58 1.01 -1.26 -5.02 120.40 116.83 1iq4 s VAL 149 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 1iq4 s VAL 149 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1iq4 s VAL 149 CO 0.00 0.06 0.60 0.00 0.00 0.00 0.00 175.10 175.76 1iq4 s ARG 150 N -2.42 1.35 0.65 2.72 1.70 -1.26 -5.00 118.95 116.69 1iq4 s ARG 150 Ca 0.59 -0.59 0.05 0.00 -0.47 0.00 0.00 55.73 55.32 1iq4 s ARG 150 Cb -0.32 0.58 0.11 0.00 -0.57 0.00 0.00 34.95 34.75 1iq4 s ARG 150 CO 0.41 -0.59 0.90 0.20 -1.08 0.00 0.00 175.30 175.13 1iq4 s GLY 151 N -2.79 1.73 0.26 3.88 0.00 -1.13 0.43 107.32 109.69 1iq4 s GLY 151 Ca 0.03 -2.03 -0.21 0.00 0.00 0.00 0.00 44.72 42.51 1iq4 s GLY 151 CO -0.09 -1.49 0.84 -3.16 0.00 0.00 0.00 173.10 169.20 1iq4 s MET 152 N -4.90 1.67 0.06 2.90 0.23 0.36 -4.65 119.30 114.96 1iq4 s MET 152 Ca 0.65 -0.98 0.06 0.00 -1.03 0.00 0.00 55.69 54.39 1iq4 s MET 152 Cb -0.05 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1iq4 s MET 152 CO 0.42 -0.77 -0.17 -0.51 -2.03 0.00 0.00 175.02 171.96 1iq4 s ASP 153 N -3.02 2.05 -0.15 -1.18 1.11 -0.05 0.17 116.67 115.59 1iq4 s ASP 153 Ca 0.14 -0.54 0.00 0.00 0.18 0.00 0.00 52.55 52.33 1iq4 s ASP 153 Cb -0.04 -0.13 0.03 0.00 1.07 0.00 0.00 42.92 43.85 1iq4 s ASP 153 CO 0.06 0.06 -0.10 -0.63 1.18 0.00 0.00 175.17 175.75 1iq4 s ILE 154 N -0.94 1.35 -0.26 0.77 1.01 -0.11 -0.32 121.20 122.70 1iq4 s ILE 154 Ca 0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 1iq4 s ILE 154 Cb -0.09 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1iq4 s ILE 154 CO 0.02 0.31 0.13 -0.69 0.00 0.00 0.00 174.94 174.71 1iq4 s VAL 155 N 1.56 4.91 -0.43 2.92 1.01 0.10 -0.13 120.40 130.34 1iq4 s VAL 155 Ca 0.03 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1iq4 s VAL 155 Cb -0.14 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.98 1iq4 s VAL 155 CO -0.09 0.31 0.32 -0.63 0.00 0.00 0.00 175.10 175.01 1iq4 s ILE 156 N 1.55 5.02 -0.21 2.22 1.01 0.12 -0.45 121.20 130.46 1iq4 s ILE 156 Ca 0.07 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 1iq4 s ILE 156 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1iq4 s ILE 156 CO 0.07 -0.44 0.54 -0.69 0.00 0.00 0.00 174.94 174.41 1iq4 s VAL 157 N 1.61 5.09 0.44 2.92 1.01 -0.55 -0.72 120.40 130.20 1iq4 s VAL 157 Ca 0.04 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1iq4 s VAL 157 Cb -0.22 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1iq4 s VAL 157 CO 0.07 0.15 0.10 0.42 0.00 0.00 0.00 175.10 175.84 1iq4 s THR 158 N 1.76 1.95 -1.77 3.92 -4.23 -1.24 0.25 115.64 116.28 1iq4 s THR 158 Ca 0.25 -1.85 0.18 0.00 -1.18 0.00 0.00 61.69 59.08 1iq4 s THR 158 Cb -0.15 -2.80 0.56 0.00 1.34 0.00 0.00 72.50 71.44 1iq4 s THR 158 CO 0.10 0.00 1.46 0.35 -0.54 0.00 0.00 174.62 175.99 1iq4 n THR 159 N -1.17 1.03 -2.20 3.99 -2.24 -0.30 -4.76 114.28 108.61 1iq4 n THR 159 Ca -0.06 -0.86 -0.40 0.00 -2.27 0.00 0.00 64.05 60.46 1iq4 n THR 159 Cb 0.66 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 1iq4 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iq4 s ALA 160 N -1.37 3.37 0.15 6.98 0.00 -1.26 -4.79 121.76 124.85 1iq4 s ALA 160 Ca 0.41 1.13 0.16 0.00 0.00 0.00 0.00 51.96 53.66 1iq4 s ALA 160 Cb 0.23 -3.43 0.48 0.00 0.00 0.00 0.00 23.12 20.40 1iq4 s ALA 160 CO 0.26 -0.57 1.64 -0.91 0.00 0.00 0.00 175.76 176.18 1iq4 h ASN 161 N 3.18 0.00 -3.77 0.00 -0.26 -1.92 -3.39 115.58 109.42 1iq4 h ASN 161 Ca -0.49 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 54.89 1iq4 h ASN 161 Cb 1.23 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.34 1iq4 h ASN 161 CO 0.65 0.48 -0.72 0.42 -1.06 0.00 0.00 177.43 177.20 1iq4 s THR 162 N -3.47 1.30 0.25 2.81 -4.23 -1.26 -4.42 115.64 106.62 1iq4 s THR 162 Ca 0.00 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 1iq4 s THR 162 Cb 0.11 -1.92 0.20 0.00 1.34 0.00 0.00 72.50 72.22 1iq4 s THR 162 CO 0.72 -0.69 1.85 0.44 -0.54 0.00 0.00 174.62 176.40 1iq4 h ASP 163 N 2.71 1.03 -0.79 3.99 3.32 -1.88 -1.29 116.42 123.50 1iq4 h ASP 163 Ca -0.37 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1iq4 h ASP 163 Cb 1.20 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 1iq4 h ASP 163 CO 0.63 0.86 0.51 -0.33 -1.72 0.00 0.00 179.24 179.19 1iq4 h GLU 164 N 1.14 0.98 -0.17 3.56 3.07 -1.98 0.48 114.58 121.66 1iq4 h GLU 164 Ca 0.28 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.88 1iq4 h GLU 164 Cb 0.09 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1iq4 h GLU 164 CO -0.04 0.65 -0.69 0.93 -1.40 0.00 0.00 179.01 178.45 1iq4 h GLU 165 N 1.01 0.70 -0.52 2.33 5.08 -1.90 -2.52 114.58 118.76 1iq4 h GLU 165 Ca 0.31 -0.53 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1iq4 h GLU 165 Cb -0.03 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1iq4 h GLU 165 CO -0.10 1.15 -0.06 0.00 -1.00 0.00 0.00 179.01 178.99 1iq4 h ALA 166 N 0.72 0.91 -0.79 3.43 0.00 -0.71 -1.70 119.26 121.12 1iq4 h ALA 166 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1iq4 h ALA 166 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1iq4 h ALA 166 CO 0.14 0.64 0.33 -0.09 0.00 0.00 0.00 179.25 180.26 1iq4 h ARG 167 N 0.84 1.16 -0.52 0.00 2.43 0.04 -0.70 114.38 117.63 1iq4 h ARG 167 Ca 0.14 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1iq4 h ARG 167 Cb 0.58 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1iq4 h ARG 167 CO 0.04 0.93 -0.06 1.49 -1.51 0.00 0.00 179.97 180.86 1iq4 h GLU 168 N 1.13 0.96 -0.03 0.20 4.57 -1.30 0.14 114.58 120.25 1iq4 h GLU 168 Ca 0.26 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1iq4 h GLU 168 Cb 0.19 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1iq4 h GLU 168 CO -0.02 1.00 -0.01 1.25 -1.18 0.00 0.00 179.01 180.05 1iq4 h LEU 169 N 0.83 -0.03 -0.64 1.64 5.85 -1.00 -0.41 115.31 121.56 1iq4 h LEU 169 Ca 0.14 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1iq4 h LEU 169 Cb 0.61 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1iq4 h LEU 169 CO 0.04 -0.01 0.09 -0.07 -0.34 0.00 0.00 178.44 178.15 1iq4 h LEU 170 N 0.00 1.02 -0.83 2.25 3.38 -0.85 -1.84 115.31 118.44 1iq4 h LEU 170 Ca 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1iq4 h LEU 170 Cb 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1iq4 h LEU 170 CO -0.03 1.03 0.41 0.00 0.09 0.00 0.00 178.44 179.93 1iq4 h ALA 171 N 1.03 1.07 -0.01 1.53 0.00 -0.49 -1.15 119.26 121.25 1iq4 h ALA 171 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1iq4 h ALA 171 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1iq4 h ALA 171 CO 0.01 0.63 -0.40 -0.07 0.00 0.00 0.00 179.25 179.42 1iq4 h LEU 172 N 1.18 0.01 -0.18 0.00 3.38 -0.89 -1.70 115.31 117.11 1iq4 h LEU 172 Ca 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1iq4 h LEU 172 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1iq4 h LEU 172 CO -0.04 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.09 1iq4 n LEU 173 N -4.06 0.47 0.00 1.67 4.77 -0.71 -4.85 117.00 114.30 1iq4 n LEU 173 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1iq4 n LEU 173 Cb 0.44 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1iq4 n LEU 173 CO 0.39 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1iq4 n GLY 174 N 0.83 1.06 3.68 -0.72 0.00 -0.64 -5.06 105.19 104.34 1iq4 n GLY 174 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1iq4 n GLY 174 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1iq4 n MET 175 N -0.98 2.32 -1.31 1.61 0.00 -0.50 -4.80 117.12 113.46 1iq4 n MET 175 Ca 0.00 0.85 -0.40 0.00 0.00 0.00 0.00 57.70 58.15 1iq4 n MET 175 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 33.22 30.49 1iq4 n MET 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1iq4 n PRO 176 N 6.12 2.24 -2.02 2.12 -0.04 -1.26 -4.64 135.00 137.51 1iq4 n PRO 176 Ca 0.21 -2.09 -0.40 0.00 -0.04 0.00 0.00 63.50 61.18 1iq4 n PRO 176 Cb 0.32 -2.98 -0.01 0.00 -0.04 0.00 0.00 33.50 30.79 1iq4 n PRO 176 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iq4 s PHE 177 N 3.92 2.84 0.73 0.54 0.40 -1.26 -0.23 117.98 124.92 1iq4 s PHE 177 Ca 0.53 1.36 -0.16 0.00 -0.60 0.00 0.00 56.93 58.06 1iq4 s PHE 177 Cb 0.14 -3.74 0.02 0.00 0.51 0.00 0.00 43.02 39.94 1iq4 s PHE 177 CO 0.01 -2.20 1.03 1.04 0.70 0.00 0.00 175.22 175.80 1iq4 n GLN 178 N 0.40 0.52 0.00 0.44 6.02 0.16 -4.60 117.38 120.32 1iq4 n GLN 178 Ca 0.02 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1iq4 n GLN 178 Cb 0.42 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.40 1iq4 n GLN 178 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68