#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ik0 s GLY 2 N 0.00 1.66 0.37 3.03 0.00 -1.26 -4.93 107.32 106.19 1ik0 s GLY 2 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.63 1ik0 s GLY 2 CO 0.00 0.55 0.97 -1.05 0.00 0.00 0.00 173.10 173.57 1ik0 n PRO 3 N -3.61 1.29 -2.80 2.90 -0.01 -1.26 -4.94 135.00 126.57 1ik0 n PRO 3 Ca 0.08 0.46 -0.34 0.00 -0.01 0.00 0.00 63.50 63.69 1ik0 n PRO 3 Cb 0.54 -1.91 -0.07 0.00 -0.01 0.00 0.00 33.50 32.05 1ik0 n PRO 3 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 1ik0 s VAL 4 N -1.21 4.33 1.09 -1.45 -7.23 -1.26 -5.02 120.40 109.64 1ik0 s VAL 4 Ca 0.61 1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 62.16 1ik0 s VAL 4 Cb -0.62 -3.66 0.17 0.00 0.56 0.00 0.00 36.38 32.84 1ik0 s VAL 4 CO 0.58 -0.24 0.64 -0.81 -0.31 0.00 0.00 175.10 174.97 1ik0 n PRO 5 N -0.46 -1.57 0.03 4.82 -0.04 -1.26 -4.65 135.00 131.87 1ik0 n PRO 5 Ca 0.06 -0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 62.99 1ik0 n PRO 5 Cb 0.53 -2.02 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1ik0 n PRO 5 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ik0 h PRO 6 N -2.21 -0.00 -0.83 0.54 0.13 -2.00 -1.77 132.00 125.85 1ik0 h PRO 6 Ca -0.54 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1ik0 h PRO 6 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1ik0 h PRO 6 CO 0.42 -0.00 0.44 0.66 -0.23 0.00 0.00 178.00 179.29 1ik0 h SER 7 N -0.00 1.05 -0.51 1.44 4.64 -1.96 -2.13 113.55 116.08 1ik0 h SER 7 Ca 0.02 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 1ik0 h SER 7 Cb 0.03 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1ik0 h SER 7 CO -0.04 0.86 -0.18 0.74 -0.87 0.00 0.00 176.83 177.35 1ik0 h THR 8 N 1.17 1.27 -0.59 2.95 2.02 -1.86 -2.43 112.91 115.44 1ik0 h THR 8 Ca 0.29 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1ik0 h THR 8 Cb 0.05 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1ik0 h THR 8 CO -0.04 0.47 0.30 0.00 0.37 0.00 0.00 175.52 176.62 1ik0 h ALA 9 N 0.89 0.76 -0.05 6.16 0.00 -0.99 -1.44 119.26 124.58 1ik0 h ALA 9 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ik0 h ALA 9 Cb 0.75 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ik0 h ALA 9 CO 0.06 0.29 0.03 1.25 0.00 0.00 0.00 179.25 180.89 1ik0 h LEU 10 N 0.80 0.06 -0.92 0.00 5.85 -1.25 0.93 115.31 120.77 1ik0 h LEU 10 Ca 0.20 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1ik0 h LEU 10 Cb 0.08 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1ik0 h LEU 10 CO -0.03 0.06 0.61 0.03 -0.34 0.00 0.00 178.44 178.77 1ik0 h ARG 11 N 0.05 1.21 -0.76 1.25 2.47 -1.24 0.22 114.38 117.58 1ik0 h ARG 11 Ca 0.02 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 1ik0 h ARG 11 Cb 0.01 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.03 1ik0 h ARG 11 CO -0.00 0.81 0.24 0.93 0.56 0.00 0.00 179.97 182.51 1ik0 h GLU 12 N 1.25 1.18 -0.31 0.04 4.39 -0.85 -1.55 114.58 118.73 1ik0 h GLU 12 Ca 0.34 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 1ik0 h GLU 12 Cb -0.14 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.33 1ik0 h GLU 12 CO -0.07 0.99 -0.34 1.25 -1.16 0.00 0.00 179.01 179.68 1ik0 h LEU 13 N 1.13 0.83 -0.35 1.33 5.85 0.20 -2.78 115.31 121.52 1ik0 h LEU 13 Ca 0.25 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ik0 h LEU 13 Cb 0.30 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1ik0 h LEU 13 CO -0.01 1.14 0.17 0.40 -0.34 0.00 0.00 178.44 179.80 1ik0 h ILE 14 N 0.54 1.16 -0.97 4.05 2.04 -0.40 -1.69 117.51 122.24 1ik0 h ILE 14 Ca 0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ik0 h ILE 14 Cb 0.92 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1ik0 h ILE 14 CO 0.08 0.17 0.64 -0.33 0.00 0.00 0.00 178.15 178.72 1ik0 h GLU 15 N 0.43 1.29 -0.37 2.37 4.39 -1.28 -1.71 114.58 119.69 1ik0 h GLU 15 Ca 0.12 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1ik0 h GLU 15 Cb 0.12 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1ik0 h GLU 15 CO -0.01 0.85 -0.41 1.49 -1.16 0.00 0.00 179.01 179.77 1ik0 h GLU 16 N 1.32 0.93 -0.46 2.33 4.57 -1.27 -1.87 114.58 120.14 1ik0 h GLU 16 Ca 0.36 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1ik0 h GLU 16 Cb -0.15 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1ik0 h GLU 16 CO -0.08 1.16 0.30 -0.07 -1.18 0.00 0.00 179.01 179.14 1ik0 h LEU 17 N 0.75 0.52 -0.71 1.64 3.38 -0.90 -2.12 115.31 117.88 1ik0 h LEU 17 Ca 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1ik0 h LEU 17 Cb 1.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1ik0 h LEU 17 CO 0.10 0.38 0.16 0.58 0.09 0.00 0.00 178.44 179.74 1ik0 h VAL 18 N 0.62 1.26 -0.56 1.22 2.07 -1.26 -2.11 116.25 117.49 1ik0 h VAL 18 Ca 0.17 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1ik0 h VAL 18 Cb -0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1ik0 h VAL 18 CO -0.04 0.38 0.37 0.78 0.02 0.00 0.00 177.57 179.09 1ik0 h ASN 19 N 1.08 0.65 1.83 0.57 2.35 -0.85 -0.06 115.58 121.14 1ik0 h ASN 19 Ca 0.22 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1ik0 h ASN 19 Cb 0.40 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ik0 h ASN 19 CO 0.01 0.47 -0.12 0.16 -1.65 0.00 0.00 177.43 176.29 1ik0 h ILE 20 N 0.76 0.22 0.00 2.81 3.07 -1.28 -3.30 117.51 119.80 1ik0 h ILE 20 Ca 0.21 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 65.34 1ik0 h ILE 20 Cb -0.09 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1ik0 h ILE 20 CO -0.04 0.12 -1.30 0.35 -1.05 0.00 0.00 178.15 176.23 1ik0 n THR 21 N -3.13 0.13 0.02 0.16 -2.24 -0.80 -3.65 114.28 104.76 1ik0 n THR 21 Ca 0.03 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 1ik0 n THR 21 Cb 0.57 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1ik0 n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ik0 h GLN 22 N 0.00 0.69 -0.67 -0.78 1.08 -1.08 -3.22 115.11 111.13 1ik0 h GLN 22 Ca 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 1ik0 h GLN 22 Cb 0.79 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1ik0 h GLN 22 CO 0.00 1.25 0.00 0.09 -0.95 0.00 0.00 178.83 179.22 1ik0 n ASN 23 N -3.88 3.62 -4.69 1.46 3.02 -1.25 -4.93 115.26 108.62 1ik0 n ASN 23 Ca -0.09 -2.03 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 1ik0 n ASN 23 Cb 0.81 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ik0 s GLN 24 N -1.16 4.41 0.00 3.52 -2.07 -1.22 -4.96 119.66 118.19 1ik0 s GLN 24 Ca 0.45 1.37 0.00 0.00 -1.82 0.00 0.00 55.36 55.36 1ik0 s GLN 24 Cb 0.24 -3.55 0.00 0.00 -1.09 0.00 0.00 33.01 28.61 1ik0 s GLN 24 CO 0.30 -0.32 0.00 1.17 -1.32 0.00 0.00 175.29 175.12 1ik0 n LYS 25 N 5.04 0.00 -1.78 9.60 4.81 -1.26 -4.94 118.16 129.63 1ik0 n LYS 25 Ca 0.09 0.06 -0.31 0.00 -0.87 0.00 0.00 58.31 57.28 1ik0 n LYS 25 Cb 0.49 -0.40 0.02 0.00 0.02 0.00 0.00 35.03 35.16 1ik0 n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ik0 s ALA 26 N -4.11 2.98 1.01 3.14 0.00 -1.26 -4.99 121.76 118.52 1ik0 s ALA 26 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1ik0 s ALA 26 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 1ik0 s ALA 26 CO 0.00 -0.85 -0.42 -2.30 0.00 0.00 0.00 175.76 172.20 1ik0 n PRO 27 N -2.86 -0.37 0.00 0.00 -0.02 -1.26 -4.75 135.00 125.73 1ik0 n PRO 27 Ca 0.06 -0.09 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1ik0 n PRO 27 Cb 0.54 -1.39 0.38 0.00 -0.02 0.00 0.00 33.50 33.00 1ik0 n PRO 27 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ik0 n LEU 28 N 1.08 0.00 -4.13 2.45 4.77 -1.26 -4.75 117.00 115.15 1ik0 n LEU 28 Ca 0.01 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.05 1ik0 n LEU 28 Cb 0.60 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1ik0 n LEU 28 CO 0.50 -0.11 0.05 0.00 -1.33 0.00 0.00 177.39 176.50 1ik0 n ASN 30 N -1.19 2.00 0.00 0.00 0.23 -1.26 -4.25 115.26 110.78 1ik0 n ASN 30 Ca 0.02 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1ik0 n ASN 30 Cb 0.62 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ik0 n GLY 31 N 2.06 0.38 3.75 4.83 0.00 -1.26 -5.00 105.19 109.95 1ik0 n GLY 31 Ca 0.04 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 1ik0 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ik0 s SER 32 N -2.99 5.15 0.29 1.61 0.01 -1.26 -4.87 113.70 111.64 1ik0 s SER 32 Ca 0.00 2.60 0.11 0.00 1.31 0.00 0.00 55.95 59.97 1ik0 s SER 32 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1ik0 s SER 32 CO 0.00 -1.64 -0.15 -0.04 0.41 0.00 0.00 173.24 171.82 1ik0 s MET 33 N -3.12 1.80 0.17 12.44 -1.94 -1.26 -2.66 119.30 124.73 1ik0 s MET 33 Ca 0.75 -1.74 0.05 0.00 -1.71 0.00 0.00 55.69 53.04 1ik0 s MET 33 Cb -0.36 -1.82 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 1ik0 s MET 33 CO 0.41 0.30 -0.11 0.14 -0.01 0.00 0.00 175.02 175.75 1ik0 s VAL 34 N -2.50 1.34 0.21 -6.03 -7.23 0.81 -4.81 120.40 102.19 1ik0 s VAL 34 Ca 0.31 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1ik0 s VAL 34 Cb -0.04 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.87 1ik0 s VAL 34 CO 0.16 -0.67 1.26 0.26 -0.31 0.00 0.00 175.10 175.80 1ik0 s TRP 35 N -3.22 3.30 0.57 2.82 0.52 -1.26 -0.04 118.94 121.63 1ik0 s TRP 35 Ca 0.19 1.33 -0.18 0.00 0.02 0.00 0.00 56.10 57.46 1ik0 s TRP 35 Cb 0.02 -3.54 -0.05 0.00 -1.15 0.00 0.00 33.47 28.75 1ik0 s TRP 35 CO 0.03 -1.60 1.12 -1.54 0.02 0.00 0.00 176.95 174.98 1ik0 s SER 36 N 0.11 5.60 0.14 2.95 1.04 -1.20 -4.87 113.70 117.46 1ik0 s SER 36 Ca 0.54 2.12 0.03 0.00 0.48 0.00 0.00 55.95 59.12 1ik0 s SER 36 Cb -0.35 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.15 1ik0 s SER 36 CO 0.39 -1.30 -0.06 0.27 0.98 0.00 0.00 173.24 173.53 1ik0 s ILE 37 N -1.93 0.87 -0.29 -1.02 -4.36 -1.26 -4.92 121.20 108.29 1ik0 s ILE 37 Ca 0.71 -1.99 -0.23 0.00 -0.26 0.00 0.00 60.65 58.87 1ik0 s ILE 37 Cb -0.23 -1.88 -0.00 0.00 1.25 0.00 0.00 42.46 41.60 1ik0 s ILE 37 CO 0.30 -0.71 0.78 0.21 0.24 0.00 0.00 174.94 175.77 1ik0 s ASN 38 N -3.13 6.69 -0.32 4.36 3.04 -1.26 -5.00 114.94 119.31 1ik0 s ASN 38 Ca 0.17 0.73 -0.29 0.00 0.04 0.00 0.00 52.86 53.51 1ik0 s ASN 38 Cb 0.05 -2.41 0.01 0.00 -1.54 0.00 0.00 41.25 37.36 1ik0 s ASN 38 CO -0.00 -0.58 1.14 -0.76 -3.04 0.00 0.00 177.10 173.86 1ik0 s LEU 39 N 2.91 3.90 0.00 3.21 2.01 -1.26 -4.83 118.68 124.62 1ik0 s LEU 39 Ca 0.32 1.06 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1ik0 s LEU 39 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1ik0 s LEU 39 CO 0.11 -0.95 0.00 0.35 1.01 0.00 0.00 176.35 176.87 1ik0 n THR 40 N 6.01 0.00 0.01 5.49 -2.24 -1.26 -5.06 114.28 117.23 1ik0 n THR 40 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1ik0 n THR 40 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1ik0 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ik0 n ALA 41 N -3.00 2.38 -0.19 6.98 0.00 -1.26 -4.66 120.51 120.76 1ik0 n ALA 41 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ik0 n ALA 41 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ik0 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ik0 n GLY 42 N 2.94 1.44 0.37 0.00 0.00 -1.26 -4.20 105.19 104.48 1ik0 n GLY 42 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1ik0 n GLY 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ik0 h MET 43 N 2.42 1.26 -0.02 1.61 0.00 -1.89 -0.84 114.93 117.46 1ik0 h MET 43 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 59.70 59.58 1ik0 h MET 43 Cb 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 31.60 31.83 1ik0 h MET 43 CO 0.00 0.89 0.02 1.88 0.00 0.00 0.00 176.91 179.70 1ik0 h TYR 44 N 1.27 0.03 -0.07 -0.22 -1.99 -1.89 0.59 116.97 114.69 1ik0 h TYR 44 Ca 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.04 1ik0 h TYR 44 Cb -0.03 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1ik0 h TYR 44 CO 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 178.16 178.17 1ik0 h ALA 46 N 0.68 1.10 -0.59 0.00 0.00 -1.05 -2.25 119.26 117.15 1ik0 h ALA 46 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ik0 h ALA 46 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ik0 h ALA 46 CO 0.01 0.53 0.08 0.00 0.00 0.00 0.00 179.25 179.86 1ik0 h ALA 47 N 1.31 0.79 -0.05 0.00 0.00 0.29 -2.89 119.26 118.72 1ik0 h ALA 47 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ik0 h ALA 47 Cb -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ik0 h ALA 47 CO -0.07 0.56 0.03 1.25 0.00 0.00 0.00 179.25 181.03 1ik0 h LEU 48 N 0.90 0.05 -1.02 0.00 5.85 -0.57 -0.27 115.31 120.25 1ik0 h LEU 48 Ca 0.18 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1ik0 h LEU 48 Cb 0.45 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1ik0 h LEU 48 CO 0.02 0.04 0.65 1.05 -0.34 0.00 0.00 178.44 179.85 1ik0 h GLU 49 N 0.06 1.17 -0.54 1.25 4.11 -1.39 0.79 114.58 120.03 1ik0 h GLU 49 Ca 0.02 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.30 1ik0 h GLU 49 Cb -0.01 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1ik0 h GLU 49 CO -0.00 0.77 0.04 0.66 0.07 0.00 0.00 179.01 180.55 1ik0 h SER 50 N 1.20 0.90 -0.14 3.06 4.64 -1.23 -2.85 113.55 119.14 1ik0 h SER 50 Ca 0.42 -0.29 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 1ik0 h SER 50 Cb 0.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1ik0 h SER 50 CO -0.15 0.97 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.27 1ik0 h LEU 51 N 0.81 0.73 -1.13 5.97 3.38 0.20 -2.76 115.31 122.50 1ik0 h LEU 51 Ca 0.16 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ik0 h LEU 51 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ik0 h LEU 51 CO 0.02 1.06 0.21 0.40 0.09 0.00 0.00 178.44 180.22 1ik0 h ILE 52 N 0.55 0.00 0.00 1.22 1.08 0.80 0.53 117.51 121.70 1ik0 h ILE 52 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1ik0 h ILE 52 Cb 0.97 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1ik0 h ILE 52 CO 0.09 0.00 -0.45 0.78 -0.69 0.00 0.00 178.15 177.88 1ik0 h ASN 53 N 0.00 0.00 -3.55 1.72 -0.26 -1.49 -3.42 115.58 108.58 1ik0 h ASN 53 Ca 0.00 -0.03 -0.61 0.00 -0.56 0.00 0.00 56.30 55.09 1ik0 h ASN 53 Cb 0.41 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.55 1ik0 h ASN 53 CO 0.00 0.02 0.03 -0.69 -1.06 0.00 0.00 177.43 175.73 1ik0 s VAL 54 N -3.24 5.05 0.11 2.81 1.01 0.19 -5.06 120.40 121.26 1ik0 s VAL 54 Ca 0.05 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.06 1ik0 s VAL 54 Cb 0.09 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1ik0 s VAL 54 CO 0.71 0.08 -0.21 -0.44 0.00 0.00 0.00 175.10 175.24 1ik0 s SER 55 N 1.50 2.56 0.00 3.32 0.01 -1.26 -4.69 113.70 115.13 1ik0 s SER 55 Ca 0.23 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1ik0 s SER 55 Cb -0.16 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1ik0 s SER 55 CO 0.09 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1ik0 n GLY 56 N 1.00 0.83 3.35 3.44 0.00 -1.26 -5.00 105.19 107.56 1ik0 n GLY 56 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 1ik0 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ik0 h SER 58 N 7.86 0.83 -1.11 0.00 0.87 -1.94 -2.64 113.55 117.42 1ik0 h SER 58 Ca 0.13 -0.05 0.31 0.00 -1.23 0.00 0.00 61.79 60.94 1ik0 h SER 58 Cb 1.02 -0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.67 1ik0 h SER 58 CO 0.83 0.65 0.71 0.00 -0.53 0.00 0.00 176.83 178.50 1ik0 h ALA 59 N 1.48 2.35 -0.01 6.23 0.00 -1.89 -0.19 119.26 127.23 1ik0 h ALA 59 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ik0 h ALA 59 Cb -0.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ik0 h ALA 59 CO -0.04 -0.82 -0.51 0.44 0.00 0.00 0.00 179.25 178.32 1ik0 n ILE 60 N -4.66 0.00 -0.11 0.00 -5.35 -1.01 -4.47 119.36 103.76 1ik0 n ILE 60 Ca 0.28 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.44 1ik0 n ILE 60 Cb 1.02 1.18 -0.00 0.00 -1.74 0.00 0.00 39.64 40.10 1ik0 n ILE 60 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1ik0 h GLU 61 N 1.73 0.47 -0.99 6.28 5.08 -0.84 -0.58 114.58 125.74 1ik0 h GLU 61 Ca 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ik0 h GLU 61 Cb 0.62 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ik0 h GLU 61 CO 0.00 0.31 0.64 0.87 -1.00 0.00 0.00 179.01 179.83 1ik0 h LYS 62 N 0.49 1.32 -0.95 2.33 1.57 -1.78 -1.60 116.57 117.94 1ik0 h LYS 62 Ca 0.13 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ik0 h LYS 62 Cb -0.05 -0.29 -0.05 0.00 0.08 0.00 0.00 32.23 31.92 1ik0 h LYS 62 CO -0.03 0.89 0.63 1.15 -0.57 0.00 0.00 179.45 181.52 1ik0 h THR 63 N 1.35 1.24 -0.91 -0.16 2.02 -1.55 -1.55 112.91 113.36 1ik0 h THR 63 Ca 0.36 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ik0 h THR 63 Cb -0.13 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.08 1ik0 h THR 63 CO -0.08 0.23 0.60 1.56 0.37 0.00 0.00 175.52 178.21 1ik0 h GLN 64 N 1.29 1.19 -0.14 6.66 4.20 -0.16 0.13 115.11 128.28 1ik0 h GLN 64 Ca 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1ik0 h GLN 64 Cb -0.15 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.36 1ik0 h GLN 64 CO -0.08 0.79 0.07 0.00 -0.67 0.00 0.00 178.83 178.94 1ik0 h ARG 65 N 1.23 0.20 -0.78 1.46 2.47 -0.92 -0.43 114.38 117.62 1ik0 h ARG 65 Ca 0.33 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.97 1ik0 h ARG 65 Cb -0.14 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.11 1ik0 h ARG 65 CO -0.07 0.25 0.28 0.52 0.56 0.00 0.00 179.97 181.51 1ik0 h MET 66 N 0.10 1.19 -0.83 0.04 2.86 -0.91 -2.32 114.93 115.06 1ik0 h MET 66 Ca 0.05 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1ik0 h MET 66 Cb 0.12 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1ik0 h MET 66 CO -0.01 0.98 0.45 -0.07 1.06 0.00 0.00 176.91 179.33 1ik0 h LEU 67 N 1.15 1.03 -1.37 1.22 3.38 -0.45 -1.72 115.31 118.55 1ik0 h LEU 67 Ca 0.26 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1ik0 h LEU 67 Cb 0.26 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1ik0 h LEU 67 CO -0.02 0.83 0.51 0.28 0.09 0.00 0.00 178.44 180.14 1ik0 h SER 68 N 1.16 0.64 -0.76 -0.43 0.02 -0.51 0.81 113.55 114.48 1ik0 h SER 68 Ca 0.29 0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.48 1ik0 h SER 68 Cb 0.03 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1ik0 h SER 68 CO -0.05 0.38 0.62 1.23 -1.14 0.00 0.00 176.83 177.88 1ik0 h GLY 69 N 0.71 0.00 -2.17 -3.77 0.00 -1.17 1.32 103.07 97.99 1ik0 h GLY 69 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ik0 h GLY 69 CO -0.13 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.10 1ik0 n PHE 70 N -4.03 0.54 -3.61 5.60 3.01 0.27 -4.61 117.46 114.63 1ik0 n PHE 70 Ca 0.16 -0.27 -0.28 0.00 1.01 0.00 0.00 57.45 58.07 1ik0 n PHE 70 Cb 0.90 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.26 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ik0 n PRO 72 N 2.66 0.00 -4.06 0.00 -0.02 -1.25 -4.37 135.00 127.96 1ik0 n PRO 72 Ca 0.23 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 1ik0 n PRO 72 Cb 0.41 -1.10 -0.17 0.00 -0.02 0.00 0.00 33.50 32.63 1ik0 n PRO 72 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ik0 s HIS 73 N -1.18 0.78 0.50 6.00 -3.43 -1.26 -5.14 115.29 111.56 1ik0 s HIS 73 Ca 0.00 -0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 53.84 1ik0 s HIS 73 Cb 0.00 -0.74 -0.08 0.00 -1.43 0.00 0.00 32.58 30.33 1ik0 s HIS 73 CO 0.00 -0.24 1.00 0.15 -2.00 0.00 0.00 174.74 173.65 1ik0 s LYS 74 N 1.21 3.85 -0.03 -0.38 1.02 -1.26 -5.06 119.74 119.09 1ik0 s LYS 74 Ca -0.06 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.07 1ik0 s LYS 74 Cb -0.14 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1ik0 s LYS 74 CO -0.02 -0.36 -0.01 0.54 -0.92 0.00 0.00 175.35 174.58 1ik0 s VAL 75 N -2.34 0.25 0.48 3.17 0.11 -1.26 -5.11 120.40 115.70 1ik0 s VAL 75 Ca 0.62 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1ik0 s VAL 75 Cb -0.12 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1ik0 s VAL 75 CO 0.26 0.15 0.66 -0.55 -3.33 0.00 0.00 175.10 172.29 1ik0 s SER 76 N 0.89 5.46 0.00 3.54 0.15 -1.26 -4.87 113.70 117.61 1ik0 s SER 76 Ca -0.09 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1ik0 s SER 76 Cb -0.13 -0.68 0.16 0.00 -1.71 0.00 0.00 66.02 63.66 1ik0 s SER 76 CO -0.01 -0.95 0.83 0.00 1.20 0.00 0.00 173.24 174.31 1ik0 n ALA 77 N -2.07 1.43 -0.05 5.45 0.00 -1.26 -1.53 120.51 122.48 1ik0 n ALA 77 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1ik0 n ALA 77 Cb 0.59 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1ik0 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ik0 n GLY 78 N -0.96 -0.73 3.69 0.00 0.00 -1.26 -4.86 105.19 101.06 1ik0 n GLY 78 Ca 0.02 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1ik0 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ik0 s GLN 79 N -2.55 4.25 0.04 1.61 -0.21 -0.58 -5.07 119.66 117.16 1ik0 s GLN 79 Ca -0.17 0.42 0.06 0.00 0.02 0.00 0.00 55.36 55.69 1ik0 s GLN 79 Cb 0.07 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 1ik0 s GLN 79 CO 0.76 -0.02 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.69 1ik0 s PHE 80 N 1.21 1.46 0.00 0.91 0.08 -1.26 -4.48 117.98 115.89 1ik0 s PHE 80 Ca 0.25 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1ik0 s PHE 80 Cb -0.15 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1ik0 s PHE 80 CO 0.10 0.06 0.00 0.43 -0.10 0.00 0.00 175.22 175.70 1ik0 n SER 81 N 1.91 0.19 -0.30 1.36 7.64 -1.26 -4.84 113.62 118.31 1ik0 n SER 81 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.82 1ik0 n SER 81 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1ik0 n SER 81 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ik0 n SER 82 N -2.89 1.53 -1.10 6.43 2.88 -1.26 -4.28 113.62 114.93 1ik0 n SER 82 Ca 0.00 -1.21 -0.03 0.00 -1.33 0.00 0.00 58.87 56.30 1ik0 n SER 82 Cb 0.42 0.55 0.04 0.00 -0.75 0.00 0.00 64.21 64.47 1ik0 n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ik0 n LEU 83 N -0.58 3.19 0.10 2.46 4.32 -1.26 -3.93 117.00 121.29 1ik0 n LEU 83 Ca 0.08 -1.63 -0.05 0.00 -0.02 0.00 0.00 56.01 54.39 1ik0 n LEU 83 Cb 0.41 -0.55 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 1ik0 n LEU 83 CO 0.32 0.52 0.33 0.45 -1.22 0.00 0.00 177.39 177.80 1ik0 h HIS 84 N 0.33 0.10 -4.15 -1.77 3.86 -1.94 -3.44 115.15 108.14 1ik0 h HIS 84 Ca 0.08 -0.05 -0.48 0.00 -1.16 0.00 0.00 60.37 58.77 1ik0 h HIS 84 Cb 1.19 -0.01 0.03 0.00 1.06 0.00 0.00 27.41 29.68 1ik0 h HIS 84 CO 0.27 0.82 0.38 0.14 0.86 0.00 0.00 177.93 180.40 1ik0 s VAL 85 N -3.27 4.01 -1.22 2.45 -7.23 -1.25 -4.94 120.40 108.94 1ik0 s VAL 85 Ca -0.01 1.07 -0.05 0.00 -1.81 0.00 0.00 61.98 61.17 1ik0 s VAL 85 Cb 0.11 -3.49 0.11 0.00 0.56 0.00 0.00 36.38 33.66 1ik0 s VAL 85 CO 0.80 -0.45 2.45 0.54 -0.31 0.00 0.00 175.10 178.13 1ik0 n ARG 86 N -1.48 4.32 -2.09 4.82 1.74 -1.26 -4.96 116.66 117.74 1ik0 n ARG 86 Ca 0.08 -3.29 -0.29 0.00 -0.77 0.00 0.00 57.85 53.58 1ik0 n ARG 86 Cb 0.53 -2.58 0.03 0.00 -1.02 0.00 0.00 32.46 29.43 1ik0 n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ik0 s ASP 87 N 0.42 5.70 0.61 0.55 1.01 -1.26 -5.07 116.67 118.63 1ik0 s ASP 87 Ca 0.55 1.05 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 1ik0 s ASP 87 Cb 0.21 -1.99 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1ik0 s ASP 87 CO -0.11 -1.11 0.87 0.42 0.21 0.00 0.00 175.17 175.45 1ik0 s THR 88 N -3.17 2.60 0.43 -1.27 -4.23 -1.26 -4.84 115.64 103.90 1ik0 s THR 88 Ca 0.55 -0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1ik0 s THR 88 Cb -0.11 -3.04 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 1ik0 s THR 88 CO 0.50 -0.03 0.78 -0.54 -0.54 0.00 0.00 174.62 174.79 1ik0 s LYS 89 N -4.95 3.73 0.16 3.99 1.02 -1.26 -3.28 119.74 119.15 1ik0 s LYS 89 Ca 0.58 0.43 0.06 0.00 0.02 0.00 0.00 55.97 57.05 1ik0 s LYS 89 Cb -0.10 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1ik0 s LYS 89 CO 0.41 -0.09 -0.12 0.96 -0.92 0.00 0.00 175.35 175.60 1ik0 s ILE 90 N -2.47 1.35 0.41 2.17 -4.36 0.94 -4.83 121.20 114.41 1ik0 s ILE 90 Ca 0.51 -2.09 -0.26 0.00 -0.26 0.00 0.00 60.65 58.55 1ik0 s ILE 90 Cb -0.10 -1.89 -0.09 0.00 1.25 0.00 0.00 42.46 41.63 1ik0 s ILE 90 CO 0.35 -0.68 1.35 -1.61 0.24 0.00 0.00 174.94 174.59 1ik0 s GLU 91 N -3.65 3.90 0.26 0.37 0.41 -1.26 -0.14 118.70 118.60 1ik0 s GLU 91 Ca 0.18 2.27 -0.03 0.00 -0.41 0.00 0.00 54.97 56.98 1ik0 s GLU 91 Cb 0.01 -2.75 0.39 0.00 -1.78 0.00 0.00 34.13 30.00 1ik0 s GLU 91 CO 0.03 -0.59 1.89 0.28 -0.49 0.00 0.00 175.26 176.38 1ik0 h VAL 92 N 2.47 1.11 -1.00 2.63 2.07 -1.84 -1.05 116.25 120.64 1ik0 h VAL 92 Ca -0.50 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 66.75 1ik0 h VAL 92 Cb 1.25 -0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1ik0 h VAL 92 CO 0.62 0.22 0.63 0.00 0.02 0.00 0.00 177.57 179.06 1ik0 h ALA 93 N 1.44 1.56 -0.05 1.67 0.00 -1.90 0.49 119.26 122.47 1ik0 h ALA 93 Ca 0.42 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.15 1ik0 h ALA 93 Cb 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ik0 h ALA 93 CO -0.16 0.14 -0.89 1.96 0.00 0.00 0.00 179.25 180.30 1ik0 h GLN 94 N 0.92 0.56 -0.01 0.00 4.20 -1.60 -2.85 115.11 116.35 1ik0 h GLN 94 Ca 0.52 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ik0 h GLN 94 Cb 0.62 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1ik0 h GLN 94 CO -0.30 1.16 0.00 0.35 -0.67 0.00 0.00 178.83 179.37 1ik0 h PHE 95 N 0.35 0.01 -0.02 2.96 3.04 -0.04 0.12 116.94 123.37 1ik0 h PHE 95 Ca -0.08 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1ik0 h PHE 95 Cb 1.51 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.02 1ik0 h PHE 95 CO 0.07 0.01 0.01 0.28 -2.02 0.00 0.00 178.31 176.66 1ik0 h VAL 96 N 0.01 1.07 -0.49 1.41 2.07 -1.04 -0.78 116.25 118.49 1ik0 h VAL 96 Ca 0.00 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ik0 h VAL 96 Cb 0.00 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1ik0 h VAL 96 CO -0.00 0.05 0.32 0.11 0.02 0.00 0.00 177.57 178.08 1ik0 h LYS 97 N -0.05 0.64 -0.73 1.57 1.57 -1.37 0.13 116.57 118.33 1ik0 h LYS 97 Ca 0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ik0 h LYS 97 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1ik0 h LYS 97 CO -0.00 0.42 0.49 -0.44 -0.57 0.00 0.00 179.45 179.35 1ik0 h ASP 98 N 0.66 0.84 -0.33 0.86 3.32 -0.56 -1.44 116.42 119.76 1ik0 h ASP 98 Ca 0.18 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1ik0 h ASP 98 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1ik0 h ASP 98 CO -0.04 0.61 0.03 0.25 -1.72 0.00 0.00 179.24 178.36 1ik0 h LEU 99 N 0.99 0.63 -0.73 1.55 5.85 -0.50 -2.90 115.31 120.20 1ik0 h LEU 99 Ca 0.27 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1ik0 h LEU 99 Cb -0.11 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1ik0 h LEU 99 CO -0.06 0.68 0.44 0.25 -0.34 0.00 0.00 178.44 179.41 1ik0 h LEU 100 N 0.63 0.69 -0.75 2.25 5.85 0.34 -0.20 115.31 124.12 1ik0 h LEU 100 Ca 0.13 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1ik0 h LEU 100 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1ik0 h LEU 100 CO 0.01 0.46 0.49 -0.07 -0.34 0.00 0.00 178.44 178.99 1ik0 h LEU 101 N 0.83 0.86 -0.40 2.25 -0.00 -1.29 -2.64 115.31 114.91 1ik0 h LEU 101 Ca 0.31 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 58.01 1ik0 h LEU 101 Cb 0.11 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1ik0 h LEU 101 CO -0.15 0.63 -0.36 0.45 -0.00 0.00 0.00 178.44 179.01 1ik0 h HIS 102 N 1.01 1.14 0.24 1.13 3.86 -1.40 -2.21 115.15 118.92 1ik0 h HIS 102 Ca 0.27 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1ik0 h HIS 102 Cb -0.11 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1ik0 h HIS 102 CO -0.02 1.17 -0.25 -0.07 0.86 0.00 0.00 177.93 179.61 1ik0 h LEU 103 N 0.78 -0.69 -1.51 2.43 3.38 -0.70 -1.62 115.31 117.38 1ik0 h LEU 103 Ca 0.07 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ik0 h LEU 103 Cb 0.96 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ik0 h LEU 103 CO 0.09 -0.37 -0.00 0.07 0.09 0.00 0.00 178.44 178.32 1ik0 h LYS 104 N -0.53 0.00 -0.17 1.13 2.10 -1.57 -3.17 116.57 114.36 1ik0 h LYS 104 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ik0 h LYS 104 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1ik0 h LYS 104 CO -0.07 0.00 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.14 1ik0 h LYS 105 N 0.00 0.31 0.00 0.07 3.64 -0.65 -2.67 116.57 117.28 1ik0 h LYS 105 Ca -0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1ik0 h LYS 105 Cb 0.50 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ik0 h LYS 105 CO 0.00 0.56 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.63 1ik0 h LEU 106 N 0.04 0.00 -1.01 5.20 -0.00 -1.45 -1.23 115.31 116.87 1ik0 h LEU 106 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1ik0 h LEU 106 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.04 1ik0 h LEU 106 CO 0.01 0.04 0.67 0.15 -0.00 0.00 0.00 178.44 179.31 1ik0 h PHE 107 N 0.00 1.27 -0.38 1.13 3.57 -1.53 0.50 116.94 121.49 1ik0 h PHE 107 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ik0 h PHE 107 Cb 0.07 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1ik0 h PHE 107 CO 0.00 0.80 0.17 0.00 -2.23 0.00 0.00 178.31 177.05 1ik0 h ARG 108 N 1.37 0.53 0.00 1.11 2.47 -1.16 -1.73 114.38 116.97 1ik0 h ARG 108 Ca 0.37 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1ik0 h ARG 108 Cb -0.16 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.06 1ik0 h ARG 108 CO -0.08 0.43 -0.44 0.93 0.56 0.00 0.00 179.97 181.37 1ik0 h GLU 109 N 0.54 0.00 0.00 0.04 5.08 -1.16 -3.47 114.58 115.61 1ik0 h GLU 109 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ik0 h GLU 109 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ik0 h GLU 109 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 1ik0 n GLY 110 N 1.26 0.42 3.38 -3.84 0.00 0.03 -4.92 105.19 101.52 1ik0 n GLY 110 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1ik0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ik0 s ARG 111 N -0.65 3.17 0.01 1.61 0.52 -1.23 -5.03 118.95 117.35 1ik0 s ARG 111 Ca 0.00 -1.48 -0.17 0.00 -0.52 0.00 0.00 55.73 53.56 1ik0 s ARG 111 Cb 0.00 -4.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.05 1ik0 s ARG 111 CO 0.00 -1.55 0.47 -0.06 0.02 0.00 0.00 175.30 174.18 1ik0 s PHE 112 N 2.46 3.73 0.00 -0.53 0.08 -1.26 -4.86 117.98 117.60 1ik0 s PHE 112 Ca 0.15 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1ik0 s PHE 112 Cb -0.20 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1ik0 s PHE 112 CO 0.03 0.57 0.00 -1.71 -0.10 0.00 0.00 175.22 174.01