#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu3 n LEU 3 N 0.00 3.30 0.00 2.45 -0.00 -1.26 -4.21 117.00 117.28 1iu3 n LEU 3 Ca 0.00 -1.53 0.06 0.00 -0.00 0.00 0.00 56.01 54.54 1iu3 n LEU 3 Cb 0.00 -0.24 0.37 0.00 -0.00 0.00 0.00 43.42 43.56 1iu3 n LEU 3 CO 0.00 0.72 0.63 0.61 -0.00 0.00 0.00 177.39 179.35 1iu3 n GLY 4 N 1.32 -0.69 0.09 1.47 0.00 -1.26 -2.32 105.19 103.81 1iu3 n GLY 4 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1iu3 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iu3 h SER 5 N 0.00 0.00 -0.85 1.61 0.87 -2.00 -2.63 113.55 110.54 1iu3 h SER 5 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1iu3 h SER 5 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1iu3 h SER 5 CO 0.00 0.79 0.56 0.00 -0.53 0.00 0.00 176.83 177.64 1iu3 h ALA 6 N 1.21 1.49 -0.38 6.23 0.00 -1.82 0.05 119.26 126.05 1iu3 h ALA 6 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iu3 h ALA 6 Cb 1.62 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1iu3 h ALA 6 CO 0.10 0.42 0.21 0.52 0.00 0.00 0.00 179.25 180.50 1iu3 h MET 7 N 1.04 0.53 -0.90 0.00 2.86 -1.64 -2.57 114.93 114.25 1iu3 h MET 7 Ca 0.34 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1iu3 h MET 7 Cb 0.05 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 1iu3 h MET 7 CO -0.10 0.44 0.57 0.00 1.06 0.00 0.00 176.91 178.87 1iu3 h ARG 8 N 0.48 1.00 -0.29 1.72 3.08 -0.89 0.45 114.38 119.93 1iu3 h ARG 8 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1iu3 h ARG 8 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1iu3 h ARG 8 CO -0.02 0.66 0.07 0.93 -1.07 0.00 0.00 179.97 180.54 1iu3 h GLU 9 N 1.03 0.42 0.01 0.04 5.08 -0.68 -1.97 114.58 118.51 1iu3 h GLU 9 Ca 0.39 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1iu3 h GLU 9 Cb 0.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1iu3 h GLU 9 CO -0.17 0.39 -0.87 1.25 -1.00 0.00 0.00 179.01 178.61 1iu3 h LEU 10 N 0.42 0.10 -1.35 1.33 5.85 -0.61 0.88 115.31 121.93 1iu3 h LEU 10 Ca 0.10 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1iu3 h LEU 10 Cb 0.17 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1iu3 h LEU 10 CO -0.00 0.92 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.80 1iu3 h LEU 11 N 0.04 0.00 0.08 2.25 -0.00 -0.36 -3.02 115.31 114.30 1iu3 h LEU 11 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.50 1iu3 h LEU 11 Cb 1.52 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.15 1iu3 h LEU 11 CO 0.12 0.14 -2.05 0.18 -0.00 0.00 0.00 178.44 176.83 1iu3 n LEU 12 N -3.33 2.34 -3.04 1.67 4.77 -0.93 -4.78 117.00 113.70 1iu3 n LEU 12 Ca -0.00 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1iu3 n LEU 12 Cb 0.36 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1iu3 n LEU 12 CO 0.31 0.79 -0.39 -1.54 -1.33 0.00 0.00 177.39 175.22 1iu3 n SER 13 N -3.35 -2.36 0.06 -1.43 3.41 0.30 -4.76 113.62 105.49 1iu3 n SER 13 Ca -0.32 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1iu3 n SER 13 Cb 1.04 -0.62 0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1iu3 n SER 13 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1iu3 h ASP 14 N 0.10 0.38 0.09 4.04 5.19 -1.89 -0.54 116.42 123.79 1iu3 h ASP 14 Ca -0.28 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1iu3 h ASP 14 Cb 1.03 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1iu3 h ASP 14 CO 0.31 0.92 -0.09 -0.08 -3.12 0.00 0.00 179.24 177.18 1iu3 h GLU 15 N 0.24 -0.20 -0.54 3.56 4.81 -1.92 0.47 114.58 121.00 1iu3 h GLU 15 Ca -0.01 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1iu3 h GLU 15 Cb 1.18 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1iu3 h GLU 15 CO 0.11 -0.13 0.20 -0.92 -0.73 0.00 0.00 179.01 177.53 1iu3 h TYR 16 N -0.20 0.79 0.00 0.92 3.20 -1.70 -1.21 116.97 118.76 1iu3 h TYR 16 Ca 0.00 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1iu3 h TYR 16 Cb 0.20 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1iu3 h TYR 16 CO -0.11 0.62 -0.33 0.00 -1.64 0.00 0.00 178.16 176.70 1iu3 h ALA 17 N 1.45 1.45 0.32 1.82 0.00 -0.66 -3.26 119.26 120.37 1iu3 h ALA 17 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iu3 h ALA 17 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iu3 h ALA 17 CO -0.01 0.41 -0.20 1.49 0.00 0.00 0.00 179.25 180.94 1iu3 h GLU 18 N 0.00 -0.47 -4.30 0.00 4.57 0.12 -3.44 114.58 111.06 1iu3 h GLU 18 Ca -0.00 0.03 -0.54 0.00 -1.18 0.00 0.00 59.36 57.67 1iu3 h GLU 18 Cb 0.59 0.11 0.05 0.00 -0.16 0.00 0.00 28.75 29.33 1iu3 h GLU 18 CO 0.04 -0.31 -0.09 1.04 -1.18 0.00 0.00 179.01 178.51 1iu3 n GLN 19 N -3.51 0.00 -0.01 1.92 1.13 -1.22 -4.89 117.38 110.79 1iu3 n GLN 19 Ca -0.06 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.02 1iu3 n GLN 19 Cb 0.20 -0.97 -0.07 0.00 0.11 0.00 0.00 30.24 29.52 1iu3 n GLN 19 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1iu3 n LYS 20 N 0.97 0.87 -3.85 -1.09 4.01 -1.26 -4.95 118.16 112.84 1iu3 n LYS 20 Ca 0.14 -0.06 -0.26 0.00 -0.51 0.00 0.00 58.31 57.61 1iu3 n LYS 20 Cb 0.09 -1.21 -0.03 0.00 -0.51 0.00 0.00 35.03 33.38 1iu3 n LYS 20 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1iu3 s ARG 21 N -2.50 3.47 0.08 1.97 1.81 -1.26 -5.02 118.95 117.50 1iu3 s ARG 21 Ca -0.03 -0.51 -0.21 0.00 -1.72 0.00 0.00 55.73 53.25 1iu3 s ARG 21 Cb 0.05 -2.92 -0.11 0.00 -0.45 0.00 0.00 34.95 31.51 1iu3 s ARG 21 CO 0.35 0.48 1.63 0.00 -0.68 0.00 0.00 175.30 177.08 1iu3 h ALA 22 N 2.07 0.16 -0.35 2.13 0.00 -1.94 -2.48 119.26 118.84 1iu3 h ALA 22 Ca -0.48 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.41 1iu3 h ALA 22 Cb 1.19 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1iu3 h ALA 22 CO 0.68 -0.26 -0.31 0.28 0.00 0.00 0.00 179.25 179.64 1iu3 h VAL 23 N 0.06 0.26 0.00 0.00 2.07 -1.98 0.40 116.25 117.06 1iu3 h VAL 23 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1iu3 h VAL 23 Cb 0.15 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1iu3 h VAL 23 CO -0.00 0.00 -0.00 0.78 0.02 0.00 0.00 177.57 178.36 1iu3 h ASN 24 N -0.26 0.00 -0.00 0.57 2.35 -1.86 0.60 115.58 116.98 1iu3 h ASN 24 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1iu3 h ASN 24 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1iu3 h ASN 24 CO -0.50 0.00 -0.08 0.03 -1.65 0.00 0.00 177.43 175.23 1iu3 h ARG 25 N 0.00 0.06 -0.39 0.81 3.08 -0.44 -1.75 114.38 115.75 1iu3 h ARG 25 Ca -0.00 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.07 1iu3 h ARG 25 Cb 0.00 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1iu3 h ARG 25 CO 0.00 0.83 -0.27 0.35 -1.07 0.00 0.00 179.97 179.81 1iu3 h PHE 26 N -0.70 -0.72 -0.80 3.04 3.57 0.12 0.23 116.94 121.68 1iu3 h PHE 26 Ca -0.01 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1iu3 h PHE 26 Cb 0.86 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 1iu3 h PHE 26 CO 0.20 -0.34 0.52 0.52 -2.23 0.00 0.00 178.31 176.98 1iu3 h MET 27 N -0.21 0.75 0.00 1.11 2.86 -0.84 -0.12 114.93 118.49 1iu3 h MET 27 Ca 0.18 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1iu3 h MET 27 Cb 0.50 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1iu3 h MET 27 CO -0.51 0.50 -0.15 1.25 1.06 0.00 0.00 176.91 179.06 1iu3 h LEU 28 N 0.77 0.00 0.29 1.22 6.46 0.29 0.11 115.31 124.46 1iu3 h LEU 28 Ca 0.37 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1iu3 h LEU 28 Cb 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1iu3 h LEU 28 CO -0.14 0.15 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.62 1iu3 h LEU 29 N 0.00 -0.33 -0.62 2.25 3.38 0.90 -1.53 115.31 119.35 1iu3 h LEU 29 Ca -0.00 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1iu3 h LEU 29 Cb 0.64 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 1iu3 h LEU 29 CO 0.02 -0.09 -0.41 -0.07 0.09 0.00 0.00 178.44 177.98 1iu3 h LEU 30 N -0.69 -1.44 -0.55 1.67 3.38 -1.35 0.71 115.31 117.04 1iu3 h LEU 30 Ca -0.04 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1iu3 h LEU 30 Cb 0.30 0.67 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 1iu3 h LEU 30 CO 0.07 -0.32 0.01 -1.28 0.09 0.00 0.00 178.44 177.00 1iu3 h SER 31 N -0.19 -0.22 -0.01 -0.43 0.87 -0.81 -0.04 113.55 112.71 1iu3 h SER 31 Ca 0.20 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1iu3 h SER 31 Cb 0.56 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1iu3 h SER 31 CO -0.71 -0.08 -0.00 0.74 -0.53 0.00 0.00 176.83 176.24 1iu3 h THR 32 N 0.13 1.27 -0.02 2.23 2.02 0.13 -2.55 112.91 116.12 1iu3 h THR 32 Ca 0.28 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1iu3 h THR 32 Cb 0.44 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1iu3 h THR 32 CO -0.46 0.21 -0.35 -0.07 0.37 0.00 0.00 175.52 175.23 1iu3 h LEU 33 N -0.31 -1.07 -0.91 2.58 -0.00 0.16 0.76 115.31 116.52 1iu3 h LEU 33 Ca 0.00 0.12 0.25 0.00 -0.00 0.00 0.00 57.88 58.26 1iu3 h LEU 33 Cb 0.35 0.41 -0.14 0.00 -0.00 0.00 0.00 40.66 41.27 1iu3 h LEU 33 CO 0.00 -0.33 0.32 0.22 -0.00 0.00 0.00 178.44 178.65 1iu3 h TYR 34 N -0.42 0.50 0.00 1.13 3.20 -1.02 0.76 116.97 121.12 1iu3 h TYR 34 Ca 0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1iu3 h TYR 34 Cb 0.46 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1iu3 h TYR 34 CO -0.48 -0.19 0.08 0.77 -1.64 0.00 0.00 178.16 176.71 1iu3 h SER 35 N 0.25 0.00 0.04 -2.11 0.02 -0.42 -2.99 113.55 108.34 1iu3 h SER 35 Ca 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1iu3 h SER 35 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1iu3 h SER 35 CO -0.64 0.00 -0.02 -0.07 -1.14 0.00 0.00 176.83 174.96 1iu3 h LEU 36 N 0.00 -0.05 -7.30 5.07 3.38 0.11 -3.44 115.31 113.07 1iu3 h LEU 36 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1iu3 h LEU 36 Cb 0.16 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.52 1iu3 h LEU 36 CO 0.00 0.16 -0.70 -0.62 0.09 0.00 0.00 178.44 177.36 1iu3 s ASP 37 N -3.97 4.19 0.47 -0.43 3.68 -1.14 -4.97 116.67 114.50 1iu3 s ASP 37 Ca -0.01 -2.46 0.12 0.00 2.13 0.00 0.00 52.55 52.33 1iu3 s ASP 37 Cb 0.00 -1.33 1.08 0.00 -1.45 0.00 0.00 42.92 41.21 1iu3 s ASP 37 CO 0.03 -0.31 2.10 0.00 0.13 0.00 0.00 175.17 177.12 1iu3 h ALA 38 N 7.10 1.85 -0.31 3.66 0.00 -1.83 -1.15 119.26 128.58 1iu3 h ALA 38 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1iu3 h ALA 38 Cb 0.95 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1iu3 h ALA 38 CO 0.55 0.13 -0.35 0.37 0.00 0.00 0.00 179.25 179.95 1iu3 h GLN 39 N 0.23 0.79 0.00 0.00 -0.00 -1.93 -1.02 115.11 113.18 1iu3 h GLN 39 Ca 0.06 -0.43 -0.14 0.00 -0.00 0.00 0.00 58.65 58.14 1iu3 h GLN 39 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.49 1iu3 h GLN 39 CO -0.01 1.06 -0.64 0.00 0.00 0.00 0.00 178.83 179.24 1iu3 h ALA 40 N 0.71 0.92 0.68 3.38 0.00 -1.72 -1.87 119.26 121.36 1iu3 h ALA 40 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1iu3 h ALA 40 Cb 0.94 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1iu3 h ALA 40 CO 0.09 0.80 -0.33 0.35 0.00 0.00 0.00 179.25 180.16 1iu3 h PHE 41 N 0.00 -0.85 -0.58 0.00 3.57 -1.12 -0.82 116.94 117.14 1iu3 h PHE 41 Ca -0.01 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.59 1iu3 h PHE 41 Cb 1.15 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 40.06 1iu3 h PHE 41 CO 0.00 -0.49 -0.19 0.00 -2.23 0.00 0.00 178.31 175.40 1iu3 h ALA 42 N -0.89 0.29 0.00 2.41 0.00 -0.98 0.24 119.26 120.34 1iu3 h ALA 42 Ca -0.09 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1iu3 h ALA 42 Cb 0.73 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1iu3 h ALA 42 CO 0.15 -0.49 -0.32 0.93 0.00 0.00 0.00 179.25 179.53 1iu3 h GLU 43 N -0.05 0.00 -0.82 0.00 5.08 -1.27 -2.77 114.58 114.75 1iu3 h GLU 43 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1iu3 h GLU 43 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1iu3 h GLU 43 CO -0.62 0.32 0.51 0.00 -1.00 0.00 0.00 179.01 178.21 1iu3 h ALA 44 N 1.68 1.05 0.44 3.43 0.00 0.92 -3.25 119.26 123.53 1iu3 h ALA 44 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1iu3 h ALA 44 Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iu3 h ALA 44 CO 0.04 0.50 -0.21 1.15 0.00 0.00 0.00 179.25 180.73 1iu3 h THR 45 N 1.13 0.56 -1.01 0.00 2.02 -0.82 -3.29 112.91 111.50 1iu3 h THR 45 Ca 0.30 -0.14 0.34 0.00 0.77 0.00 0.00 66.41 67.68 1iu3 h THR 45 Cb -0.06 0.63 -0.15 0.00 -1.74 0.00 0.00 68.15 66.83 1iu3 h THR 45 CO -0.06 0.03 0.57 -0.33 0.37 0.00 0.00 175.52 176.10 1iu3 h GLU 46 N -0.67 0.27 0.00 6.66 5.08 -1.57 0.86 114.58 125.21 1iu3 h GLU 46 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1iu3 h GLU 46 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1iu3 h GLU 46 CO 0.10 0.18 0.00 -1.13 -1.00 0.00 0.00 179.01 177.16 1iu3 n SER 47 N -5.07 0.20 -4.53 1.42 3.41 -1.24 -4.78 113.62 103.03 1iu3 n SER 47 Ca 0.33 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 59.05 1iu3 n SER 47 Cb 1.03 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 1iu3 n SER 47 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1iu3 s LEU 48 N -3.42 4.48 0.15 1.04 2.96 0.30 -5.02 118.68 119.17 1iu3 s LEU 48 Ca 0.09 -0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 53.52 1iu3 s LEU 48 Cb 0.13 -2.64 0.06 0.00 0.50 0.00 0.00 46.19 44.24 1iu3 s LEU 48 CO 0.42 -0.64 0.92 -1.38 -1.32 0.00 0.00 176.35 174.35 1iu3 s HIS 49 N 2.58 -0.17 0.00 5.38 -3.43 -1.26 -4.25 115.29 114.14 1iu3 s HIS 49 Ca 0.20 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 1iu3 s HIS 49 Cb -0.15 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1iu3 s HIS 49 CO 0.16 -0.84 0.00 0.41 -2.00 0.00 0.00 174.74 172.47 1iu3 n GLY 50 N -0.44 0.45 0.12 -1.38 0.00 -1.14 -4.97 105.19 97.82 1iu3 n GLY 50 Ca -0.06 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1iu3 n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1iu3 h ARG 51 N 0.00 0.30 0.00 1.61 2.43 -2.03 -3.41 114.38 113.29 1iu3 h ARG 51 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1iu3 h ARG 51 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1iu3 h ARG 51 CO 0.00 0.74 0.00 0.25 -1.51 0.00 0.00 179.97 179.45 1iu3 n THR 52 N -4.57 0.00 -4.02 0.20 -2.24 -1.26 -5.09 114.28 97.29 1iu3 n THR 52 Ca -0.07 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 1iu3 n THR 52 Cb 0.38 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 1iu3 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iu3 s ARG 53 N -0.36 3.17 0.01 -0.78 0.52 -1.26 -2.94 118.95 117.30 1iu3 s ARG 53 Ca 0.00 -0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 1iu3 s ARG 53 Cb 0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1iu3 s ARG 53 CO 0.00 0.49 0.18 0.08 0.02 0.00 0.00 175.30 176.06 1iu3 s VAL 54 N -1.81 5.35 -0.17 3.52 1.01 -1.26 -2.91 120.40 124.14 1iu3 s VAL 54 Ca 0.33 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1iu3 s VAL 54 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1iu3 s VAL 54 CO 0.26 0.29 -0.27 -1.22 0.00 0.00 0.00 175.10 174.16 1iu3 n TYR 55 N 0.82 0.39 -3.57 5.22 4.01 -1.26 -4.76 117.16 118.01 1iu3 n TYR 55 Ca -0.10 0.17 -0.20 0.00 -0.16 0.00 0.00 57.90 57.62 1iu3 n TYR 55 Cb 0.52 -0.64 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1iu3 n TYR 55 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1iu3 s PHE 56 N -2.62 3.08 -0.03 -0.72 0.40 -1.26 -2.16 117.98 114.66 1iu3 s PHE 56 Ca -0.24 -0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1iu3 s PHE 56 Cb 0.04 -1.93 0.11 0.00 0.51 0.00 0.00 43.02 41.75 1iu3 s PHE 56 CO 0.35 0.06 1.11 0.00 0.70 0.00 0.00 175.22 177.44 1iu3 s ALA 57 N -2.20 -1.98 -2.41 5.36 0.00 -0.91 -4.92 121.76 114.69 1iu3 s ALA 57 Ca 0.44 0.93 0.22 0.00 0.00 0.00 0.00 51.96 53.55 1iu3 s ALA 57 Cb -0.09 0.28 0.60 0.00 0.00 0.00 0.00 23.12 23.92 1iu3 s ALA 57 CO 0.30 -0.83 1.48 0.00 0.00 0.00 0.00 175.76 176.71 1iu3 n ALA 58 N -0.31 2.48 -3.15 0.00 0.00 -1.26 -0.65 120.51 117.61 1iu3 n ALA 58 Ca -0.05 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 1iu3 n ALA 58 Cb 0.61 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1iu3 n ALA 58 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1iu3 s ASP 59 N -1.59 -0.35 0.26 0.00 -4.77 -1.26 -4.79 116.67 104.17 1iu3 s ASP 59 Ca 0.34 -0.14 -0.02 0.00 -3.30 0.00 0.00 52.55 49.44 1iu3 s ASP 59 Cb 0.20 0.50 0.51 0.00 -1.09 0.00 0.00 42.92 43.04 1iu3 s ASP 59 CO 0.29 -0.84 1.75 -0.08 0.70 0.00 0.00 175.17 176.99 1iu3 h GLU 60 N 2.42 0.56 -0.10 2.11 4.81 -1.93 -2.99 114.58 119.45 1iu3 h GLU 60 Ca -0.33 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1iu3 h GLU 60 Cb 1.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1iu3 h GLU 60 CO 0.44 0.37 -0.05 1.96 -0.73 0.00 0.00 179.01 181.00 1iu3 h GLN 61 N 0.58 0.22 -1.29 1.92 7.50 -1.99 -2.00 115.11 120.04 1iu3 h GLN 61 Ca 0.45 -0.10 0.42 0.00 0.50 0.00 0.00 58.65 59.93 1iu3 h GLN 61 Cb 0.65 -0.01 -0.13 0.00 0.05 0.00 0.00 27.48 28.04 1iu3 h GLN 61 CO -0.37 0.57 0.83 1.15 -1.50 0.00 0.00 178.83 179.51 1iu3 h THR 62 N -0.15 0.15 -0.00 -0.54 2.02 -1.95 -0.22 112.91 112.22 1iu3 h THR 62 Ca 0.02 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1iu3 h THR 62 Cb 0.51 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1iu3 h THR 62 CO 0.02 0.02 -0.26 -0.07 0.37 0.00 0.00 175.52 175.60 1iu3 h LEU 63 N 0.11 0.23 -1.14 2.58 3.38 -1.46 -3.25 115.31 115.76 1iu3 h LEU 63 Ca 0.81 -0.77 0.18 0.00 0.09 0.00 0.00 57.88 58.18 1iu3 h LEU 63 Cb 2.49 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 43.08 1iu3 h LEU 63 CO -0.42 0.97 0.61 -0.07 0.09 0.00 0.00 178.44 179.62 1iu3 h LEU 64 N -0.48 0.72 0.00 1.67 3.38 -0.40 -3.24 115.31 116.96 1iu3 h LEU 64 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iu3 h LEU 64 Cb 1.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1iu3 h LEU 64 CO 0.05 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.17 1iu3 n LYS 65 N -4.66 0.00 -2.00 1.13 4.76 -0.50 -4.55 118.16 112.33 1iu3 n LYS 65 Ca 0.21 0.19 -0.39 0.00 -2.87 0.00 0.00 58.31 55.45 1iu3 n LYS 65 Cb 0.55 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1iu3 n LYS 65 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1iu3 s ASN 66 N -2.00 6.20 0.51 4.39 -0.87 -1.22 -4.57 114.94 117.38 1iu3 s ASN 66 Ca 0.00 2.70 0.00 0.00 -1.57 0.00 0.00 52.86 53.99 1iu3 s ASN 66 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1iu3 s ASN 66 CO 0.00 -0.93 0.00 0.61 -2.57 0.00 0.00 177.10 174.21 1iu3 n GLY 67 N 0.64 -4.39 0.34 0.66 0.00 -1.15 -4.33 105.19 96.97 1iu3 n GLY 67 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1iu3 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iu3 n ASN 68 N -0.73 1.62 -4.78 1.61 6.94 -1.26 -4.67 115.26 113.98 1iu3 n ASN 68 Ca 0.00 0.27 -0.38 0.00 -0.02 0.00 0.00 54.58 54.45 1iu3 n ASN 68 Cb 0.00 -0.63 -0.06 0.00 -2.36 0.00 0.00 39.78 36.73 1iu3 n ASN 68 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1iu3 s GLN 69 N -2.55 4.19 0.10 -3.83 -1.52 -1.26 -4.96 119.66 109.82 1iu3 s GLN 69 Ca -0.25 0.57 -0.25 0.00 -1.95 0.00 0.00 55.36 53.48 1iu3 s GLN 69 Cb 0.07 -3.31 0.07 0.00 -0.22 0.00 0.00 33.01 29.62 1iu3 s GLN 69 CO 0.34 0.46 0.63 0.95 -0.25 0.00 0.00 175.29 177.43 1iu3 s THR 70 N -0.43 0.00 -0.62 -0.19 -4.23 -1.26 -4.89 115.64 104.02 1iu3 s THR 70 Ca 0.27 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.84 1iu3 s THR 70 Cb -0.17 -1.00 0.23 0.00 1.34 0.00 0.00 72.50 72.90 1iu3 s THR 70 CO 0.15 0.00 0.67 0.29 -0.54 0.00 0.00 174.62 175.19 1iu3 n LYS 71 N -0.06 2.18 -0.38 3.99 4.76 -1.26 -4.76 118.16 122.63 1iu3 n LYS 71 Ca -0.17 -4.47 -0.13 0.00 -2.87 0.00 0.00 58.31 50.67 1iu3 n LYS 71 Cb 0.63 -2.15 -0.04 0.00 -1.84 0.00 0.00 35.03 31.63 1iu3 n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1iu3 n PRO 72 N 1.15 0.00 -4.15 1.97 -0.02 -1.26 -3.96 135.00 128.73 1iu3 n PRO 72 Ca 0.27 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 1iu3 n PRO 72 Cb 0.41 -0.40 -0.08 0.00 -0.02 0.00 0.00 33.50 33.41 1iu3 n PRO 72 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1iu3 s LYS 73 N 2.12 3.20 0.14 -0.52 2.47 0.17 -4.93 119.74 122.39 1iu3 s LYS 73 Ca 0.35 -0.29 -0.19 0.00 -1.56 0.00 0.00 55.97 54.28 1iu3 s LYS 73 Cb -0.36 -2.97 0.04 0.00 -1.46 0.00 0.00 37.83 33.08 1iu3 s LYS 73 CO 0.15 0.73 1.16 0.72 0.16 0.00 0.00 175.35 178.27 1iu3 n HIS 74 N 2.11 -0.19 -3.65 4.03 8.25 -1.26 -2.25 115.22 122.26 1iu3 n HIS 74 Ca -0.19 0.94 -0.03 0.00 -0.26 0.00 0.00 57.72 58.17 1iu3 n HIS 74 Cb 0.54 -0.65 -0.07 0.00 1.12 0.00 0.00 29.99 30.93 1iu3 n HIS 74 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iu3 s VAL 75 N -5.51 0.00 0.00 1.59 1.01 -1.26 -4.65 120.40 111.58 1iu3 s VAL 75 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1iu3 s VAL 75 Cb 0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1iu3 s VAL 75 CO 0.50 0.00 0.83 -0.65 0.00 0.00 0.00 175.10 175.77 1iu3 h PRO 76 N 3.39 -0.06 0.00 2.72 0.11 -1.85 -3.46 132.00 132.86 1iu3 h PRO 76 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1iu3 h PRO 76 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1iu3 h PRO 76 CO 0.17 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.34 1iu3 n GLY 77 N -0.44 0.35 0.00 -0.55 0.00 -1.26 -4.96 105.19 98.32 1iu3 n GLY 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1iu3 n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iu3 n THR 78 N 0.00 0.00 -1.28 2.61 -2.24 -1.26 -5.08 114.28 107.02 1iu3 n THR 78 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1iu3 n THR 78 Cb 0.17 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.58 1iu3 n THR 78 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1iu3 n PRO 79 N 0.00 2.18 -3.96 -0.78 -0.04 -1.26 -4.92 135.00 126.22 1iu3 n PRO 79 Ca 0.00 -3.06 -0.25 0.00 -0.04 0.00 0.00 63.50 60.15 1iu3 n PRO 79 Cb 0.00 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 1iu3 n PRO 79 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1iu3 s TYR 80 N -3.28 2.25 0.01 0.54 1.51 -1.26 -4.72 117.35 112.40 1iu3 s TYR 80 Ca 0.54 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1iu3 s TYR 80 Cb 0.46 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1iu3 s TYR 80 CO 0.08 -0.11 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.70 1iu3 s TRP 81 N -2.65 1.24 0.24 2.71 0.52 0.17 -3.77 118.94 117.41 1iu3 s TRP 81 Ca 0.38 -0.29 0.07 0.00 0.02 0.00 0.00 56.10 56.29 1iu3 s TRP 81 Cb 0.00 -0.77 -0.05 0.00 -1.15 0.00 0.00 33.47 31.50 1iu3 s TRP 81 CO 0.22 0.01 -0.10 0.08 0.02 0.00 0.00 176.95 177.18 1iu3 s VAL 82 N -0.56 1.71 0.58 4.03 1.01 -0.96 -2.14 120.40 124.07 1iu3 s VAL 82 Ca 0.04 -2.17 -0.16 0.00 0.00 0.00 0.00 61.98 59.68 1iu3 s VAL 82 Cb -0.06 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1iu3 s VAL 82 CO 0.00 -0.44 1.06 -0.63 0.00 0.00 0.00 175.10 175.09 1iu3 s ILE 83 N -2.98 3.79 0.00 2.22 -1.09 -0.92 0.43 121.20 122.65 1iu3 s ILE 83 Ca 0.26 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1iu3 s ILE 83 Cb 0.01 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1iu3 s ILE 83 CO 0.10 -0.47 0.00 0.41 -1.23 0.00 0.00 174.94 173.74 1iu3 n THR 84 N -1.92 0.00 -2.01 2.92 -1.04 -1.25 -4.75 114.28 106.24 1iu3 n THR 84 Ca 0.09 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.84 1iu3 n THR 84 Cb 0.53 -0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.80 1iu3 n THR 84 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1iu3 s ASN 85 N -1.28 4.84 -0.21 8.00 3.04 -1.26 -4.73 114.94 123.33 1iu3 s ASN 85 Ca 0.00 -1.44 -0.26 0.00 0.04 0.00 0.00 52.86 51.20 1iu3 s ASN 85 Cb 0.00 -2.59 0.07 0.00 -1.54 0.00 0.00 41.25 37.19 1iu3 s ASN 85 CO 0.00 -3.25 0.69 0.42 -3.04 0.00 0.00 177.10 171.92 1iu3 s THR 86 N 11.67 0.00 1.03 -5.21 -4.23 -1.26 -4.86 115.64 112.78 1iu3 s THR 86 Ca 0.70 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 1iu3 s THR 86 Cb -0.02 -0.97 0.21 0.00 1.34 0.00 0.00 72.50 73.06 1iu3 s THR 86 CO 0.12 -0.00 1.18 0.54 -0.54 0.00 0.00 174.62 175.91 1iu3 s ASN 87 N -0.02 2.47 0.47 3.99 2.20 -1.26 -4.80 114.94 117.99 1iu3 s ASN 87 Ca -0.03 0.67 0.15 0.00 -0.94 0.00 0.00 52.86 52.71 1iu3 s ASN 87 Cb -0.04 -1.00 1.07 0.00 -2.00 0.00 0.00 41.25 39.29 1iu3 s ASN 87 CO 0.03 -3.17 2.03 0.74 -2.94 0.00 0.00 177.10 173.80 1iu3 h THR 88 N -1.93 1.10 0.58 0.54 2.02 -1.98 -2.46 112.91 110.77 1iu3 h THR 88 Ca -0.47 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1iu3 h THR 88 Cb 1.29 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1iu3 h THR 88 CO 0.46 0.13 -0.41 1.23 0.37 0.00 0.00 175.52 177.30 1iu3 h GLY 89 N 0.40 -1.07 1.95 2.16 0.00 -1.98 -0.86 103.07 103.67 1iu3 h GLY 89 Ca -0.00 0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 1iu3 h GLY 89 CO 0.02 -0.37 -0.11 -0.09 0.00 0.00 0.00 176.54 175.99 1iu3 h ARG 90 N -0.96 0.06 -0.15 4.80 2.43 -1.82 0.16 114.38 118.90 1iu3 h ARG 90 Ca -0.07 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1iu3 h ARG 90 Cb 0.80 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1iu3 h ARG 90 CO 0.03 0.17 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.38 1iu3 h LYS 91 N 0.06 0.22 0.00 0.20 3.64 -0.95 0.19 116.57 119.94 1iu3 h LYS 91 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1iu3 h LYS 91 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1iu3 h LYS 91 CO 0.02 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 1iu3 h SER 93 N 0.00 0.00 0.45 0.00 4.64 -1.08 1.77 113.55 119.32 1iu3 h SER 93 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1iu3 h SER 93 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1iu3 h SER 93 CO 0.00 0.00 -0.28 0.24 -0.87 0.00 0.00 176.83 175.92 1iu3 h MET 94 N 0.00 0.00 0.03 4.77 2.86 -0.57 -1.19 114.93 120.83 1iu3 h MET 94 Ca 0.41 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.98 1iu3 h MET 94 Cb 1.96 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.63 1iu3 h MET 94 CO -0.00 0.28 -0.32 0.82 1.06 0.00 0.00 176.91 178.75 1iu3 h ILE 95 N 0.00 1.60 -0.97 -1.22 1.08 0.26 -1.30 117.51 116.95 1iu3 h ILE 95 Ca -0.00 -2.19 0.23 0.00 -0.39 0.00 0.00 64.86 62.51 1iu3 h ILE 95 Cb 0.58 3.03 -0.12 0.00 -3.07 0.00 0.00 36.82 37.23 1iu3 h ILE 95 CO 0.04 0.60 0.54 -0.08 -0.69 0.00 0.00 178.15 178.56 1iu3 h GLU 96 N -0.59 0.54 0.16 2.37 4.81 -0.39 0.43 114.58 121.90 1iu3 h GLU 96 Ca -0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1iu3 h GLU 96 Cb 1.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1iu3 h GLU 96 CO 0.06 0.35 -0.07 1.25 -0.73 0.00 0.00 179.01 179.87 1iu3 h HIS 97 N 0.55 -0.19 -0.13 0.92 2.76 -1.14 0.46 115.15 118.38 1iu3 h HIS 97 Ca 0.62 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.82 1iu3 h HIS 97 Cb 1.15 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 1iu3 h HIS 97 CO -0.04 0.23 0.14 0.82 -1.30 0.00 0.00 177.93 177.78 1iu3 h ILE 98 N -0.90 0.51 0.12 6.26 2.04 -0.72 -2.31 117.51 122.51 1iu3 h ILE 98 Ca -0.02 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.57 1iu3 h ILE 98 Cb 0.51 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1iu3 h ILE 98 CO 0.04 0.00 -1.35 0.24 0.00 0.00 0.00 178.15 177.07 1iu3 h MET 99 N 0.00 0.26 0.82 2.37 2.86 -0.01 -2.51 114.93 118.73 1iu3 h MET 99 Ca 0.06 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 1iu3 h MET 99 Cb 0.35 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1iu3 h MET 99 CO -0.00 1.21 -0.50 1.96 1.06 0.00 0.00 176.91 180.64 1iu3 h GLN 100 N -0.29 -1.19 -1.01 1.72 4.20 -0.47 0.34 115.11 118.42 1iu3 h GLN 100 Ca -0.29 0.08 0.29 0.00 0.06 0.00 0.00 58.65 58.80 1iu3 h GLN 100 Cb 1.76 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 29.78 1iu3 h GLN 100 CO 0.08 -0.79 0.82 1.03 -0.67 0.00 0.00 178.83 179.29 1iu3 h SER 101 N -1.24 0.00 -0.20 1.46 0.87 -1.58 1.69 113.55 114.56 1iu3 h SER 101 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1iu3 h SER 101 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1iu3 h SER 101 CO 0.12 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.65 1iu3 n MET 102 N -3.95 1.61 -3.02 2.24 2.81 0.06 -4.92 117.12 111.95 1iu3 n MET 102 Ca 0.21 -0.93 -0.12 0.00 -1.81 0.00 0.00 57.70 55.05 1iu3 n MET 102 Cb 1.16 -1.31 0.06 0.00 -0.71 0.00 0.00 33.22 32.42 1iu3 n MET 102 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1iu3 n GLN 103 N 0.19 -4.68 -3.79 0.03 1.13 0.58 -5.05 117.38 105.78 1iu3 n GLN 103 Ca 0.13 0.59 -0.30 0.00 -1.94 0.00 0.00 57.00 55.48 1iu3 n GLN 103 Cb 0.26 -4.84 -0.04 0.00 0.11 0.00 0.00 30.24 25.72 1iu3 n GLN 103 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1iu3 s PHE 104 N -3.25 3.49 0.16 1.08 0.40 -1.09 -4.65 117.98 114.13 1iu3 s PHE 104 Ca 0.03 0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 56.41 1iu3 s PHE 104 Cb -0.01 -1.85 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 1iu3 s PHE 104 CO 0.51 0.48 1.40 -1.25 0.70 0.00 0.00 175.22 177.06 1iu3 s PRO 105 N -2.81 4.32 0.62 0.24 0.04 -1.26 -4.77 135.00 131.38 1iu3 s PRO 105 Ca 0.38 2.14 0.24 0.00 0.04 0.00 0.00 61.00 63.80 1iu3 s PRO 105 Cb -0.12 -3.20 1.15 0.00 0.04 0.00 0.00 34.50 32.36 1iu3 s PRO 105 CO 0.27 -0.41 1.61 0.00 0.04 0.00 0.00 177.00 178.51 1iu3 h ALA 106 N 6.22 2.16 0.45 8.56 0.00 -1.98 -0.64 119.26 134.03 1iu3 h ALA 106 Ca -0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1iu3 h ALA 106 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1iu3 h ALA 106 CO 0.84 -0.94 -0.21 1.49 0.00 0.00 0.00 179.25 180.42 1iu3 h GLU 107 N 0.00 -0.58 0.05 0.00 4.22 -2.01 -2.38 114.58 113.88 1iu3 h GLU 107 Ca 0.20 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.69 1iu3 h GLU 107 Cb 1.64 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 1iu3 h GLU 107 CO -0.00 -0.37 -0.27 1.25 -2.18 0.00 0.00 179.01 177.44 1iu3 h LEU 108 N -0.63 -0.81 -0.99 1.64 6.46 -1.49 -2.30 115.31 117.19 1iu3 h LEU 108 Ca -0.06 0.09 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 1iu3 h LEU 108 Cb 0.48 0.30 -0.16 0.00 -0.73 0.00 0.00 40.66 40.55 1iu3 h LEU 108 CO 0.10 -0.28 -0.38 -0.38 -0.62 0.00 0.00 178.44 176.88 1iu3 n ILE 109 N -3.97 -0.52 0.20 4.05 5.41 -1.15 0.19 119.36 123.57 1iu3 n ILE 109 Ca -0.04 2.32 0.06 0.00 1.00 0.00 0.00 62.75 66.09 1iu3 n ILE 109 Cb 0.21 -3.07 0.54 0.00 -0.71 0.00 0.00 39.64 36.61 1iu3 n ILE 109 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1iu3 h GLU 110 N 0.00 0.09 0.70 0.38 4.11 -0.86 -1.07 114.58 117.92 1iu3 h GLU 110 Ca 0.35 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.74 1iu3 h GLU 110 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1iu3 h GLU 110 CO -0.99 0.14 -0.46 0.87 0.07 0.00 0.00 179.01 178.64 1iu3 h LYS 111 N 0.09 -1.06 0.29 1.06 1.57 0.23 0.16 116.57 118.91 1iu3 h LYS 111 Ca 0.02 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1iu3 h LYS 111 Cb 0.13 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1iu3 h LYS 111 CO 0.01 -0.71 -0.41 0.28 -0.57 0.00 0.00 179.45 178.05 1iu3 h VAL 112 N -1.10 0.17 0.00 0.50 2.07 -0.44 0.53 116.25 117.98 1iu3 h VAL 112 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1iu3 h VAL 112 Cb 0.90 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1iu3 h VAL 112 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1iu3 h GLY 114 N 0.80 0.06 1.55 0.00 0.00 0.30 -3.04 103.07 102.75 1iu3 h GLY 114 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1iu3 h GLY 114 CO 0.00 0.05 -0.25 -1.30 0.00 0.00 0.00 176.54 175.04 1iu3 n THR 115 N -4.00 0.12 0.66 4.70 -2.24 0.83 -5.08 114.28 109.27 1iu3 n THR 115 Ca -0.02 -0.07 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1iu3 n THR 115 Cb 0.48 -0.21 0.31 0.00 -2.10 0.00 0.00 70.33 68.81 1iu3 n THR 115 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12