#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 1.62 0.43 3.03 0.00 -1.26 -5.02 107.32 106.12 1ik0 s GLY 2 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.47 1ik0 s GLY 2 CO 0.00 0.24 0.18 -1.05 0.00 0.00 0.00 173.10 172.47 1ik0 n PRO 3 N -3.47 -0.50 -2.80 2.90 -0.01 -1.26 -4.91 135.00 124.95 1ik0 n PRO 3 Ca 0.07 -0.31 -0.35 0.00 -0.01 0.00 0.00 63.50 62.90 1ik0 n PRO 3 Cb 0.56 -0.63 -0.07 0.00 -0.01 0.00 0.00 33.50 33.35 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 -1.17 4.28 1.08 -1.45 -7.23 -1.26 -5.03 120.40 109.63 1ik0 s VAL 4 Ca 0.14 1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 61.87 1ik0 s VAL 4 Cb -0.02 -3.85 0.20 0.00 0.56 0.00 0.00 36.38 33.27 1ik0 s VAL 4 CO 0.12 -0.04 0.82 -0.81 -0.31 0.00 0.00 175.10 174.88 1ik0 n PRO 5 N 0.08 -1.59 0.07 4.82 -0.04 -1.26 -4.71 135.00 132.37 1ik0 n PRO 5 Ca 0.04 -0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 62.95 1ik0 n PRO 5 Cb 0.52 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 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 -2.27 -0.12 -0.84 0.54 0.13 -2.00 -1.69 132.00 125.75 1ik0 h PRO 6 Ca -0.54 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1ik0 h PRO 6 Cb 1.32 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1ik0 h PRO 6 CO 0.44 0.08 0.41 0.66 -0.23 0.00 0.00 178.00 179.35 1ik0 h SER 7 N -0.31 1.09 -0.38 1.44 4.64 -1.95 -2.59 113.55 115.48 1ik0 h SER 7 Ca -0.01 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.03 1ik0 h SER 7 Cb 0.26 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1ik0 h SER 7 CO 0.02 0.91 -0.38 0.74 -0.87 0.00 0.00 176.83 177.25 1ik0 h THR 8 N 1.19 1.27 -0.92 2.95 2.02 -1.90 -2.44 112.91 115.09 1ik0 h THR 8 Ca 0.29 -1.55 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1ik0 h THR 8 Cb 0.10 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1ik0 h THR 8 CO -0.04 0.52 0.60 0.00 0.37 0.00 0.00 175.52 176.97 1ik0 h ALA 9 N 0.76 1.16 -0.01 6.16 0.00 -1.09 0.54 119.26 126.78 1ik0 h ALA 9 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ik0 h ALA 9 Cb 0.97 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ik0 h ALA 9 CO 0.09 0.57 0.01 1.25 0.00 0.00 0.00 179.25 181.17 1ik0 h LEU 10 N 1.25 0.02 -0.72 0.00 5.85 -1.36 -0.86 115.31 119.49 1ik0 h LEU 10 Ca 0.34 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ik0 h LEU 10 Cb -0.14 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1ik0 h LEU 10 CO -0.07 0.17 0.47 0.03 -0.34 0.00 0.00 178.44 178.70 1ik0 h ARG 11 N -0.13 0.95 -0.87 1.25 3.08 -1.00 0.14 114.38 117.79 1ik0 h ARG 11 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1ik0 h ARG 11 Cb 0.16 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1ik0 h ARG 11 CO -0.00 0.63 0.44 0.93 -1.07 0.00 0.00 179.97 180.90 1ik0 h GLU 12 N 0.97 1.24 -0.29 0.04 5.08 -0.72 -0.99 114.58 119.91 1ik0 h GLU 12 Ca 0.26 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1ik0 h GLU 12 Cb -0.10 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.91 1ik0 h GLU 12 CO -0.06 0.93 -0.36 1.25 -1.00 0.00 0.00 179.01 179.78 1ik0 h LEU 13 N 1.23 0.82 -0.34 1.33 5.85 -0.40 -2.61 115.31 121.18 1ik0 h LEU 13 Ca 0.30 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ik0 h LEU 13 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ik0 h LEU 13 CO -0.04 1.15 0.21 0.40 -0.34 0.00 0.00 178.44 179.81 1ik0 h ILE 14 N 0.51 1.12 -1.00 4.05 2.04 -0.41 -0.01 117.51 123.81 1ik0 h ILE 14 Ca 0.04 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1ik0 h ILE 14 Cb 0.95 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1ik0 h ILE 14 CO 0.09 0.12 0.66 -0.33 0.00 0.00 0.00 178.15 178.68 1ik0 h GLU 15 N 0.45 1.32 -0.13 2.37 4.39 -1.18 -0.01 114.58 121.78 1ik0 h GLU 15 Ca 0.12 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1ik0 h GLU 15 Cb 0.01 -0.30 -0.00 0.00 -0.10 0.00 0.00 28.75 28.36 1ik0 h GLU 15 CO -0.02 0.87 -0.15 1.49 -1.16 0.00 0.00 179.01 180.04 1ik0 h GLU 16 N 1.35 0.34 -0.82 2.33 4.57 -1.06 -1.72 114.58 119.58 1ik0 h GLU 16 Ca 0.36 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1ik0 h GLU 16 Cb -0.15 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1ik0 h GLU 16 CO -0.08 0.75 0.39 -0.07 -1.18 0.00 0.00 179.01 178.82 1ik0 h LEU 17 N -0.05 1.07 -0.37 1.64 3.38 -0.74 -2.58 115.31 117.66 1ik0 h LEU 17 Ca 0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1ik0 h LEU 17 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ik0 h LEU 17 CO 0.04 0.91 -0.15 0.58 0.09 0.00 0.00 178.44 179.90 1ik0 h VAL 18 N 1.16 1.28 -0.90 1.22 2.07 -0.99 -2.68 116.25 117.40 1ik0 h VAL 18 Ca 0.28 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ik0 h VAL 18 Cb 0.12 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1ik0 h VAL 18 CO -0.03 0.42 0.60 -1.13 0.02 0.00 0.00 177.57 177.44 1ik0 h ASN 19 N 0.56 1.03 1.55 0.57 -0.73 -1.08 0.49 115.58 117.97 1ik0 h ASN 19 Ca 0.09 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1ik0 h ASN 19 Cb 0.69 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1ik0 h ASN 19 CO 0.05 0.74 0.00 0.16 -0.37 0.00 0.00 177.43 178.01 1ik0 h ILE 20 N 1.22 0.00 0.00 2.57 3.07 -1.42 -3.25 117.51 119.69 1ik0 h ILE 20 Ca 0.33 -0.70 -0.10 0.00 1.55 0.00 0.00 64.86 65.93 1ik0 h ILE 20 Cb -0.13 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1ik0 h ILE 20 CO -0.08 0.00 -1.99 0.35 -1.05 0.00 0.00 178.15 175.38 1ik0 n THR 21 N -2.82 0.47 0.07 0.16 -2.24 -0.84 -3.83 114.28 105.25 1ik0 n THR 21 Ca 0.03 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1ik0 n THR 21 Cb 0.43 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.33 -0.44 -0.78 4.20 -0.98 -3.22 115.11 114.22 1ik0 h GLN 22 Ca -0.15 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1ik0 h GLN 22 Cb 1.35 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1ik0 h GLN 22 CO 0.01 1.05 0.00 0.27 -0.67 0.00 0.00 178.83 179.49 1ik0 n ASN 23 N -3.71 2.95 -4.68 1.46 6.94 -1.23 -4.90 115.26 112.10 1ik0 n ASN 23 Ca -0.06 -1.94 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 1ik0 n ASN 23 Cb 0.83 -0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ik0 s GLN 24 N -1.42 4.36 0.00 -3.83 -2.07 -1.22 -4.97 119.66 110.51 1ik0 s GLN 24 Ca 0.38 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 55.08 1ik0 s GLN 24 Cb 0.21 -3.55 0.00 0.00 -1.09 0.00 0.00 33.01 28.57 1ik0 s GLN 24 CO 0.28 -0.30 0.00 1.17 -1.32 0.00 0.00 175.29 175.12 1ik0 n LYS 25 N 5.05 0.00 -2.06 9.60 4.81 -1.26 -4.96 118.16 129.34 1ik0 n LYS 25 Ca 0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.21 1ik0 n LYS 25 Cb 0.49 -0.29 0.05 0.00 0.02 0.00 0.00 35.03 35.29 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 -4.42 3.02 0.16 3.14 0.00 -1.26 -4.96 121.76 117.45 1ik0 s ALA 26 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 51.96 51.13 1ik0 s ALA 26 Cb 0.00 -2.87 -0.16 0.00 0.00 0.00 0.00 23.12 20.09 1ik0 s ALA 26 CO 0.00 -1.07 1.09 -2.30 0.00 0.00 0.00 175.76 173.48 1ik0 n PRO 27 N -2.89 0.96 -0.02 0.00 -0.02 -1.26 -4.86 135.00 126.91 1ik0 n PRO 27 Ca 0.06 0.34 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1ik0 n PRO 27 Cb 0.58 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1ik0 n PRO 27 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ik0 h LEU 28 N 3.06 0.17-10.52 2.45 3.38 -1.97 -3.43 115.31 108.45 1ik0 h LEU 28 Ca -0.42 -0.03 -0.48 0.00 0.09 0.00 0.00 57.88 57.04 1ik0 h LEU 28 Cb 1.36 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 42.15 1ik0 h LEU 28 CO 0.68 0.15 0.32 0.00 0.09 0.00 0.00 178.44 179.67 1ik0 n ASN 30 N -2.96 2.15 0.00 0.00 5.03 -1.26 -4.26 115.26 113.96 1ik0 n ASN 30 Ca 0.07 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.91 1ik0 n ASN 30 Cb 0.59 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ik0 n GLY 31 N 1.91 0.44 3.76 7.41 0.00 -1.26 -5.00 105.19 112.46 1ik0 n GLY 31 Ca 0.02 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.92 5.83 0.18 1.61 0.01 -1.26 -4.89 113.70 112.26 1ik0 s SER 32 Ca 0.00 2.90 0.08 0.00 1.31 0.00 0.00 55.95 60.24 1ik0 s SER 32 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1ik0 s SER 32 CO 0.00 -1.21 -0.06 -0.04 0.41 0.00 0.00 173.24 172.34 1ik0 s MET 33 N -2.49 2.18 0.17 12.44 -1.94 -1.26 -2.55 119.30 125.85 1ik0 s MET 33 Ca 0.62 -1.22 0.05 0.00 -1.71 0.00 0.00 55.69 53.44 1ik0 s MET 33 Cb -0.43 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 1ik0 s MET 33 CO 0.55 0.44 -0.11 0.14 -0.01 0.00 0.00 175.02 176.03 1ik0 s VAL 34 N -1.73 1.35 0.10 -6.03 -7.23 0.91 -4.84 120.40 102.93 1ik0 s VAL 34 Ca 0.26 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 1ik0 s VAL 34 Cb -0.09 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 1ik0 s VAL 34 CO 0.16 -0.70 1.27 0.26 -0.31 0.00 0.00 175.10 175.79 1ik0 s TRP 35 N -3.22 3.36 0.53 2.82 0.52 -1.26 -0.38 118.94 121.31 1ik0 s TRP 35 Ca 0.19 1.18 -0.19 0.00 0.02 0.00 0.00 56.10 57.30 1ik0 s TRP 35 Cb 0.02 -3.53 -0.06 0.00 -1.15 0.00 0.00 33.47 28.75 1ik0 s TRP 35 CO 0.03 -1.71 1.11 -1.54 0.02 0.00 0.00 176.95 174.86 1ik0 s SER 36 N 0.92 5.84 0.19 2.95 1.04 -1.13 -4.89 113.70 118.62 1ik0 s SER 36 Ca 0.60 2.12 0.01 0.00 0.48 0.00 0.00 55.95 59.16 1ik0 s SER 36 Cb -0.33 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.17 1ik0 s SER 36 CO 0.31 -1.13 0.04 0.27 0.98 0.00 0.00 173.24 173.70 1ik0 s ILE 37 N -1.84 0.53 -0.20 -1.02 -4.36 -1.26 -4.89 121.20 108.16 1ik0 s ILE 37 Ca 0.71 -1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 58.91 1ik0 s ILE 37 Cb -0.22 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 1ik0 s ILE 37 CO 0.26 -0.35 0.68 0.20 0.24 0.00 0.00 174.94 175.97 1ik0 s ASN 38 N -3.18 6.74 -0.26 4.36 0.02 -1.26 -5.01 114.94 116.35 1ik0 s ASN 38 Ca 0.28 0.90 -0.28 0.00 -1.02 0.00 0.00 52.86 52.74 1ik0 s ASN 38 Cb 0.07 -2.37 0.01 0.00 0.02 0.00 0.00 41.25 38.97 1ik0 s ASN 38 CO 0.06 -0.31 1.01 -0.76 0.02 0.00 0.00 177.10 177.11 1ik0 s LEU 39 N 2.03 4.05 0.00 0.60 2.01 -1.26 -4.87 118.68 121.24 1ik0 s LEU 39 Ca 0.31 1.21 0.00 0.00 0.01 0.00 0.00 54.13 55.66 1ik0 s LEU 39 Cb -0.16 -3.47 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1ik0 s LEU 39 CO 0.11 -0.70 0.00 0.35 1.01 0.00 0.00 176.35 177.12 1ik0 n THR 40 N 5.46 0.00 -0.01 5.49 -2.24 -1.26 -5.06 114.28 116.66 1ik0 n THR 40 Ca 0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 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 2.89 0.49 6.98 0.00 -1.26 -4.64 120.51 121.96 1ik0 n ALA 41 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ik0 n ALA 41 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.90 1.47 0.37 0.00 0.00 -1.26 -4.13 105.19 104.54 1ik0 n GLY 42 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.88 1.24 -0.79 1.61 0.00 -1.90 -1.15 114.93 114.83 1ik0 h MET 43 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 59.70 59.63 1ik0 h MET 43 Cb 0.68 -0.28 -0.04 0.00 0.00 0.00 0.00 31.60 31.96 1ik0 h MET 43 CO 0.00 0.82 0.52 1.88 0.00 0.00 0.00 176.91 180.14 1ik0 h TYR 44 N 1.28 0.99 0.23 -0.22 0.05 -1.92 0.69 116.97 118.07 1ik0 h TYR 44 Ca 0.35 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1ik0 h TYR 44 Cb -0.15 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.26 1ik0 h TYR 44 CO 0.00 0.62 -0.11 0.00 -1.05 0.00 0.00 178.16 177.62 1ik0 h ALA 46 N -0.30 0.78 -0.70 0.00 0.00 -1.13 -2.64 119.26 115.27 1ik0 h ALA 46 Ca -0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ik0 h ALA 46 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ik0 h ALA 46 CO 0.05 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.79 1ik0 h ALA 47 N 1.17 1.05 -0.02 0.00 0.00 0.33 -2.83 119.26 118.95 1ik0 h ALA 47 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ik0 h ALA 47 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ik0 h ALA 47 CO -0.04 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.11 1ik0 h LEU 48 N 1.04 0.02 -1.32 0.00 5.85 -1.02 -1.97 115.31 117.91 1ik0 h LEU 48 Ca 0.22 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 48 Cb 0.31 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1ik0 h LEU 48 CO -0.01 0.01 0.47 1.05 -0.34 0.00 0.00 178.44 179.63 1ik0 h GLU 49 N 0.02 0.90 -0.73 1.25 4.11 -1.42 -1.15 114.58 117.57 1ik0 h GLU 49 Ca 0.01 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 1ik0 h GLU 49 Cb -0.00 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1ik0 h GLU 49 CO -0.00 0.60 0.19 1.03 0.07 0.00 0.00 179.01 180.90 1ik0 h SER 50 N 0.93 1.09 -0.44 3.06 0.87 -1.21 -2.72 113.55 115.13 1ik0 h SER 50 Ca 0.26 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 1ik0 h SER 50 Cb -0.07 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.59 1ik0 h SER 50 CO -0.06 1.03 -0.11 -0.07 -0.53 0.00 0.00 176.83 177.08 1ik0 h LEU 51 N 1.09 0.90 -1.26 2.23 3.38 -0.56 -2.62 115.31 118.47 1ik0 h LEU 51 Ca 0.23 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ik0 h LEU 51 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ik0 h LEU 51 CO -0.00 1.03 0.28 0.40 0.09 0.00 0.00 178.44 180.23 1ik0 h ILE 52 N 0.81 0.00 0.00 1.22 1.08 -0.91 0.81 117.51 120.52 1ik0 h ILE 52 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1ik0 h ILE 52 Cb 0.64 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1ik0 h ILE 52 CO 0.04 0.00 -0.24 0.59 -0.69 0.00 0.00 178.15 177.85 1ik0 n ASN 53 N -2.32 0.46 -4.67 1.72 3.02 -0.99 -4.74 115.26 107.75 1ik0 n ASN 53 Ca -0.01 0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.43 1ik0 n ASN 53 Cb 0.30 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1ik0 n ASN 53 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ik0 s VAL 54 N -3.06 5.13 0.06 2.41 1.01 0.28 -5.05 120.40 121.17 1ik0 s VAL 54 Ca 0.11 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.09 1ik0 s VAL 54 Cb 0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ik0 s VAL 54 CO 0.62 0.20 -0.19 -0.44 0.00 0.00 0.00 175.10 175.29 1ik0 s SER 55 N 1.07 2.33 0.00 3.32 0.01 -1.26 -4.70 113.70 114.48 1ik0 s SER 55 Ca 0.24 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ik0 s SER 55 Cb -0.15 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1ik0 s SER 55 CO 0.10 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1ik0 n GLY 56 N 1.65 1.18 3.37 3.44 0.00 -1.26 -4.99 105.19 108.59 1ik0 n GLY 56 Ca -0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 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 8.14 0.78 -1.16 0.00 0.87 -1.97 -3.05 113.55 117.16 1ik0 h SER 58 Ca 0.12 -0.32 0.33 0.00 -1.23 0.00 0.00 61.79 60.69 1ik0 h SER 58 Cb 1.04 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.70 1ik0 h SER 58 CO 0.87 1.04 0.79 0.00 -0.53 0.00 0.00 176.83 179.00 1ik0 h ALA 59 N 1.00 2.72 -0.01 6.23 0.00 -1.98 0.17 119.26 127.40 1ik0 h ALA 59 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ik0 h ALA 59 Cb 0.85 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ik0 h ALA 59 CO 0.07 -1.13 -0.59 0.44 0.00 0.00 0.00 179.25 178.05 1ik0 n ILE 60 N -4.42 0.00 -0.34 0.00 -5.35 -1.16 -4.32 119.36 103.77 1ik0 n ILE 60 Ca 0.27 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.53 1ik0 n ILE 60 Cb 1.13 1.16 0.09 0.00 -1.74 0.00 0.00 39.64 40.28 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 1.83 1.20 -0.93 6.28 5.08 -0.60 -0.84 114.58 126.58 1ik0 h GLU 61 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ik0 h GLU 61 Cb 0.69 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1ik0 h GLU 61 CO 0.00 0.79 0.53 0.87 -1.00 0.00 0.00 179.01 180.21 1ik0 h LYS 62 N 1.23 1.28 -0.99 2.33 1.57 -1.75 -1.93 116.57 118.32 1ik0 h LYS 62 Ca 0.33 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1ik0 h LYS 62 Cb -0.14 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 31.86 1ik0 h LYS 62 CO -0.07 0.92 0.65 1.15 -0.57 0.00 0.00 179.45 181.53 1ik0 h THR 63 N 1.29 1.26 -0.60 -0.16 2.02 -1.42 -1.93 112.91 113.36 1ik0 h THR 63 Ca 0.33 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1ik0 h THR 63 Cb -0.01 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.17 1ik0 h THR 63 CO -0.06 0.25 0.40 1.56 0.37 0.00 0.00 175.52 178.04 1ik0 h GLN 64 N 1.34 0.79 -0.17 6.66 4.20 -0.50 0.23 115.11 127.67 1ik0 h GLN 64 Ca 0.36 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1ik0 h GLN 64 Cb -0.15 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.44 1ik0 h GLN 64 CO -0.08 0.53 0.09 -0.09 -0.67 0.00 0.00 178.83 178.61 1ik0 h ARG 65 N 0.82 0.24 -0.76 1.46 2.43 -1.17 -0.08 114.38 117.32 1ik0 h ARG 65 Ca 0.22 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1ik0 h ARG 65 Cb -0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1ik0 h ARG 65 CO -0.05 0.26 0.27 0.52 -1.51 0.00 0.00 179.97 179.46 1ik0 h MET 66 N 0.16 1.16 -0.89 0.20 2.86 -0.97 -1.66 114.93 115.78 1ik0 h MET 66 Ca 0.06 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1ik0 h MET 66 Cb 0.09 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1ik0 h MET 66 CO -0.01 0.96 0.50 -0.07 1.06 0.00 0.00 176.91 179.35 1ik0 h LEU 67 N 1.11 1.11 -1.01 1.22 3.38 -0.22 -1.68 115.31 119.21 1ik0 h LEU 67 Ca 0.25 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ik0 h LEU 67 Cb 0.26 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1ik0 h LEU 67 CO -0.01 0.88 0.67 0.28 0.09 0.00 0.00 178.44 180.34 1ik0 h SER 68 N 1.24 1.16 -0.25 -0.43 0.02 -0.37 0.22 113.55 115.14 1ik0 h SER 68 Ca 0.32 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1ik0 h SER 68 Cb 0.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1ik0 h SER 68 CO -0.05 0.83 0.55 1.23 -1.14 0.00 0.00 176.83 178.25 1ik0 h GLY 69 N 1.36 0.00 0.41 -3.77 0.00 -0.39 0.93 103.07 101.61 1ik0 h GLY 69 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1ik0 h GLY 69 CO -0.08 0.00 -1.63 0.69 0.00 0.00 0.00 176.54 175.52 1ik0 n PHE 70 N -3.16 0.40 -3.53 5.60 3.72 0.04 -4.78 117.46 115.75 1ik0 n PHE 70 Ca 0.04 0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 57.27 1ik0 n PHE 70 Cb 0.66 -0.72 -0.14 0.00 -0.94 0.00 0.00 39.48 38.33 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ik0 n PRO 72 N 5.01 0.00 -3.03 0.00 -0.02 -1.20 -4.59 135.00 131.17 1ik0 n PRO 72 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1ik0 n PRO 72 Cb 0.41 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 1ik0 n PRO 72 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ik0 s HIS 73 N 1.59 3.03 -0.92 6.00 2.46 -1.26 -4.99 115.29 121.20 1ik0 s HIS 73 Ca 0.00 0.05 -0.23 0.00 0.47 0.00 0.00 55.06 55.35 1ik0 s HIS 73 Cb 0.00 -3.52 0.06 0.00 -0.13 0.00 0.00 32.58 28.99 1ik0 s HIS 73 CO 0.00 -0.94 1.33 0.15 -2.47 0.00 0.00 174.74 172.82 1ik0 s LYS 74 N 3.07 3.47 -0.18 2.88 1.02 -1.26 -4.97 119.74 123.77 1ik0 s LYS 74 Ca 0.26 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1ik0 s LYS 74 Cb -0.13 -4.96 -0.05 0.00 -0.52 0.00 0.00 37.83 32.17 1ik0 s LYS 74 CO 0.21 -2.11 0.29 0.08 -0.92 0.00 0.00 175.35 172.90 1ik0 s VAL 75 N 4.75 5.30 0.33 3.17 1.01 -1.26 -5.08 120.40 128.62 1ik0 s VAL 75 Ca 0.40 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1ik0 s VAL 75 Cb -0.04 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1ik0 s VAL 75 CO -0.03 0.36 0.49 -0.55 0.00 0.00 0.00 175.10 175.37 1ik0 s SER 76 N 0.65 6.09 0.56 3.32 0.15 -1.26 -4.97 113.70 118.24 1ik0 s SER 76 Ca 0.16 0.08 0.24 0.00 0.70 0.00 0.00 55.95 57.12 1ik0 s SER 76 Cb -0.13 -1.59 1.59 0.00 -1.71 0.00 0.00 66.02 64.17 1ik0 s SER 76 CO 0.04 -0.36 2.21 0.00 1.20 0.00 0.00 173.24 176.33 1ik0 h ALA 77 N 0.85 1.72 0.00 5.45 0.00 -1.98 -2.04 119.26 123.26 1ik0 h ALA 77 Ca -0.48 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1ik0 h ALA 77 Cb 1.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ik0 h ALA 77 CO 0.57 0.01 -1.57 0.41 0.00 0.00 0.00 179.25 178.67 1ik0 n GLY 78 N -1.40 -1.18 3.67 0.00 0.00 -1.26 -4.84 105.19 100.18 1ik0 n GLY 78 Ca -0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.04 4.24 0.03 1.61 -1.52 -0.77 -5.05 119.66 115.16 1ik0 s GLN 79 Ca -0.04 0.62 0.05 0.00 -1.95 0.00 0.00 55.36 54.04 1ik0 s GLN 79 Cb 0.09 -3.56 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 1ik0 s GLN 79 CO 0.83 -0.18 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.48 1ik0 s PHE 80 N 1.72 1.25 0.00 0.91 0.08 -1.26 -3.99 117.98 116.69 1ik0 s PHE 80 Ca 0.29 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1ik0 s PHE 80 Cb -0.16 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1ik0 s PHE 80 CO 0.11 0.03 0.00 0.43 -0.10 0.00 0.00 175.22 175.69 1ik0 n SER 81 N 2.04 2.93 -0.29 1.36 7.64 -1.26 -4.79 113.62 121.26 1ik0 n SER 81 Ca -0.17 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.82 1ik0 n SER 81 Cb 0.55 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.63 1.47 -1.08 6.43 2.88 -1.26 -4.26 113.62 115.17 1ik0 n SER 82 Ca 0.00 -1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 56.35 1ik0 n SER 82 Cb 0.50 0.53 0.02 0.00 -0.75 0.00 0.00 64.21 64.50 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 -0.62 3.21 0.08 2.46 4.77 -1.26 -3.81 117.00 121.83 1ik0 n LEU 83 Ca 0.08 -1.62 -0.09 0.00 -0.03 0.00 0.00 56.01 54.35 1ik0 n LEU 83 Cb 0.40 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1ik0 n LEU 83 CO 0.32 0.53 0.13 0.45 -1.33 0.00 0.00 177.39 177.49 1ik0 h HIS 84 N 0.10 0.16 -4.04 -1.77 3.86 -1.93 -3.45 115.15 108.06 1ik0 h HIS 84 Ca 0.05 -0.11 -0.47 0.00 -1.16 0.00 0.00 60.37 58.68 1ik0 h HIS 84 Cb 1.13 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.61 1ik0 h HIS 84 CO 0.13 1.05 0.39 0.14 0.86 0.00 0.00 177.93 180.50 1ik0 s VAL 85 N -2.80 3.79 -1.17 2.45 -7.23 -1.25 -4.93 120.40 109.25 1ik0 s VAL 85 Ca -0.01 1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 61.29 1ik0 s VAL 85 Cb 0.09 -3.51 0.12 0.00 0.56 0.00 0.00 36.38 33.65 1ik0 s VAL 85 CO 0.83 -0.18 2.41 0.54 -0.31 0.00 0.00 175.10 178.40 1ik0 n ARG 86 N -0.73 4.30 -2.03 4.82 1.74 -1.26 -4.96 116.66 118.54 1ik0 n ARG 86 Ca 0.08 -3.36 -0.28 0.00 -0.77 0.00 0.00 57.85 53.52 1ik0 n ARG 86 Cb 0.52 -2.54 0.08 0.00 -1.02 0.00 0.00 32.46 29.50 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 0.26 4.63 0.38 0.55 1.01 -1.26 -5.07 116.67 117.16 1ik0 s ASP 87 Ca 0.54 0.64 0.01 0.00 0.71 0.00 0.00 52.55 54.45 1ik0 s ASP 87 Cb 0.22 -1.19 -0.02 0.00 1.01 0.00 0.00 42.92 42.94 1ik0 s ASP 87 CO -0.12 -1.78 0.57 0.28 0.21 0.00 0.00 175.17 174.33 1ik0 s THR 88 N -3.44 4.60 0.34 -1.27 -1.32 -1.26 -4.88 115.64 108.41 1ik0 s THR 88 Ca 0.61 -0.57 -0.11 0.00 -1.21 0.00 0.00 61.69 60.41 1ik0 s THR 88 Cb -0.11 -3.67 -0.07 0.00 -1.51 0.00 0.00 72.50 67.14 1ik0 s THR 88 CO 0.47 -0.42 0.70 -0.54 -2.21 0.00 0.00 174.62 172.63 1ik0 s LYS 89 N -4.37 3.85 0.16 7.08 1.02 -1.26 -2.84 119.74 123.38 1ik0 s LYS 89 Ca 0.43 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.92 1ik0 s LYS 89 Cb -0.10 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1ik0 s LYS 89 CO 0.36 0.11 -0.06 0.96 -0.92 0.00 0.00 175.35 175.80 1ik0 s ILE 90 N -2.12 0.94 0.46 2.17 -4.36 0.49 -4.86 121.20 113.91 1ik0 s ILE 90 Ca 0.51 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.65 1ik0 s ILE 90 Cb -0.10 -1.95 -0.07 0.00 1.25 0.00 0.00 42.46 41.58 1ik0 s ILE 90 CO 0.25 -0.65 1.30 -1.61 0.24 0.00 0.00 174.94 174.47 1ik0 s GLU 91 N -3.82 3.66 0.26 0.37 2.02 -1.26 -0.06 118.70 119.86 1ik0 s GLU 91 Ca 0.19 2.12 -0.04 0.00 0.02 0.00 0.00 54.97 57.26 1ik0 s GLU 91 Cb 0.04 -2.53 0.34 0.00 0.10 0.00 0.00 34.13 32.08 1ik0 s GLU 91 CO 0.01 -0.74 1.91 0.28 0.02 0.00 0.00 175.26 176.75 1ik0 h VAL 92 N 2.03 1.18 -0.76 2.63 2.07 -1.84 -2.39 116.25 119.18 1ik0 h VAL 92 Ca -0.50 -0.44 0.17 0.00 0.82 0.00 0.00 66.70 66.76 1ik0 h VAL 92 Cb 1.26 -0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.70 1ik0 h VAL 92 CO 0.60 0.23 0.09 0.00 0.02 0.00 0.00 177.57 178.52 1ik0 h ALA 93 N 1.41 0.90 0.00 1.67 0.00 -1.90 0.16 119.26 121.50 1ik0 h ALA 93 Ca 0.40 0.21 -0.18 0.00 0.00 0.00 0.00 54.91 55.34 1ik0 h ALA 93 Cb -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ik0 h ALA 93 CO -0.12 -0.40 -0.84 0.37 0.00 0.00 0.00 179.25 178.26 1ik0 h GLN 94 N 0.17 0.11 -0.10 0.00 4.15 -1.82 -2.94 115.11 114.68 1ik0 h GLN 94 Ca 0.43 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1ik0 h GLN 94 Cb 0.77 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1ik0 h GLN 94 CO -0.61 0.88 0.07 0.35 -1.93 0.00 0.00 178.83 177.59 1ik0 h PHE 95 N 0.06 0.13 -0.43 3.99 3.04 -0.30 0.72 116.94 124.15 1ik0 h PHE 95 Ca -0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1ik0 h PHE 95 Cb 1.45 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 1ik0 h PHE 95 CO 0.02 0.08 0.24 0.28 -2.02 0.00 0.00 178.31 176.90 1ik0 h VAL 96 N 0.14 1.15 -0.44 1.41 2.07 -1.19 -1.74 116.25 117.66 1ik0 h VAL 96 Ca 0.04 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1ik0 h VAL 96 Cb -0.01 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1ik0 h VAL 96 CO -0.01 0.16 0.26 0.11 0.02 0.00 0.00 177.57 178.11 1ik0 h LYS 97 N 0.56 0.60 -0.92 1.57 1.57 -1.28 -0.25 116.57 118.42 1ik0 h LYS 97 Ca 0.15 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1ik0 h LYS 97 Cb 0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1ik0 h LYS 97 CO -0.03 0.45 0.60 -0.44 -0.57 0.00 0.00 179.45 179.46 1ik0 h ASP 98 N 0.58 1.06 -0.45 0.86 3.32 -0.63 -1.54 116.42 119.62 1ik0 h ASP 98 Ca 0.16 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1ik0 h ASP 98 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ik0 h ASP 98 CO -0.03 0.78 0.05 0.25 -1.72 0.00 0.00 179.24 178.57 1ik0 h LEU 99 N 1.25 0.79 -0.68 1.55 5.85 -0.83 -3.07 115.31 120.18 1ik0 h LEU 99 Ca 0.33 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ik0 h LEU 99 Cb -0.12 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 1ik0 h LEU 99 CO -0.07 0.83 0.42 0.25 -0.34 0.00 0.00 178.44 179.53 1ik0 h LEU 100 N 0.79 0.70 -0.83 2.25 5.85 -0.01 -1.49 115.31 122.58 1ik0 h LEU 100 Ca 0.16 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ik0 h LEU 100 Cb 0.40 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1ik0 h LEU 100 CO 0.01 0.49 0.54 -0.07 -0.34 0.00 0.00 178.44 179.06 1ik0 h LEU 101 N 0.83 0.96 -0.45 2.25 -0.00 -1.41 -2.61 115.31 114.88 1ik0 h LEU 101 Ca 0.27 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 57.97 1ik0 h LEU 101 Cb 0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1ik0 h LEU 101 CO -0.10 0.70 -0.34 0.45 -0.00 0.00 0.00 178.44 179.15 1ik0 h HIS 102 N 1.12 1.09 -0.06 1.13 3.86 -1.52 -2.09 115.15 118.69 1ik0 h HIS 102 Ca 0.30 -0.31 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1ik0 h HIS 102 Cb -0.11 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 1ik0 h HIS 102 CO -0.01 1.12 -0.02 -0.07 0.86 0.00 0.00 177.93 179.81 1ik0 h LEU 103 N 0.76 -0.07 -1.53 2.43 3.38 -0.92 -1.25 115.31 118.11 1ik0 h LEU 103 Ca 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ik0 h LEU 103 Cb 0.92 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ik0 h LEU 103 CO 0.09 -0.03 -0.12 0.07 0.09 0.00 0.00 178.44 178.53 1ik0 h LYS 104 N -0.01 0.00 -0.07 1.13 2.10 -1.50 -3.17 116.57 115.05 1ik0 h LYS 104 Ca 0.03 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1ik0 h LYS 104 Cb 0.06 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1ik0 h LYS 104 CO -0.06 0.12 0.01 -0.22 -2.00 0.00 0.00 179.45 177.30 1ik0 h LYS 105 N 0.00 0.11 0.00 0.07 3.64 -0.50 -2.88 116.57 117.01 1ik0 h LYS 105 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1ik0 h LYS 105 Cb 0.53 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ik0 h LYS 105 CO 0.02 0.33 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.31 1ik0 h LEU 106 N -0.12 0.00 -1.00 5.20 -0.00 -1.45 -2.53 115.31 115.40 1ik0 h LEU 106 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1ik0 h LEU 106 Cb 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.88 1ik0 h LEU 106 CO 0.00 0.14 0.67 0.15 -0.00 0.00 0.00 178.44 179.40 1ik0 h PHE 107 N 0.00 1.26 -0.79 1.13 3.57 -1.55 0.13 116.94 120.69 1ik0 h PHE 107 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ik0 h PHE 107 Cb 0.26 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1ik0 h PHE 107 CO 0.00 0.79 0.51 0.00 -2.23 0.00 0.00 178.31 177.38 1ik0 h ARG 108 N 1.36 1.05 0.00 1.11 3.08 -1.44 -0.85 114.38 118.68 1ik0 h ARG 108 Ca 0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ik0 h ARG 108 Cb -0.16 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.66 1ik0 h ARG 108 CO -0.08 0.71 -0.28 0.39 -1.07 0.00 0.00 179.97 179.64 1ik0 n GLU 109 N -4.40 0.02 -1.00 0.04 1.02 -0.66 -4.89 120.64 110.77 1ik0 n GLU 109 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ik0 n GLU 109 Cb 0.04 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1ik0 n GLU 109 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ik0 n GLY 110 N 1.49 0.00 3.40 0.62 0.00 0.37 -4.88 105.19 106.19 1ik0 n GLY 110 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.99 3.38 0.04 1.61 0.52 -1.21 -5.02 118.95 116.29 1ik0 s ARG 111 Ca 0.00 -1.68 -0.19 0.00 -0.52 0.00 0.00 55.73 53.34 1ik0 s ARG 111 Cb 0.00 -4.54 -0.06 0.00 0.52 0.00 0.00 34.95 30.86 1ik0 s ARG 111 CO 0.00 -1.60 0.55 -0.06 0.02 0.00 0.00 175.30 174.21 1ik0 s PHE 112 N 2.28 3.76 0.00 -0.53 0.08 -1.26 -4.88 117.98 117.43 1ik0 s PHE 112 Ca 0.22 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.48 1ik0 s PHE 112 Cb -0.13 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1ik0 s PHE 112 CO -0.03 0.54 0.00 0.09 -0.10 0.00 0.00 175.22 175.72