#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 1.65 1.06 3.03 0.00 -1.26 -5.00 107.32 106.80 1ik0 s GLY 2 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.70 1ik0 s GLY 2 CO 0.00 0.52 0.53 -1.55 0.00 0.00 0.00 173.10 172.60 1ik0 n PRO 3 N -3.61 -2.44 -2.82 2.90 -0.04 -1.26 -4.92 135.00 122.81 1ik0 n PRO 3 Ca 0.08 -0.89 -0.39 0.00 -0.04 0.00 0.00 63.50 62.26 1ik0 n PRO 3 Cb 0.54 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1ik0 n PRO 3 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ik0 s VAL 4 N -1.94 4.19 1.09 0.52 -7.23 -1.26 -5.03 120.40 110.74 1ik0 s VAL 4 Ca 0.41 1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 62.33 1ik0 s VAL 4 Cb -0.07 -4.19 0.13 0.00 0.56 0.00 0.00 36.38 32.80 1ik0 s VAL 4 CO 0.34 0.41 0.32 -2.65 -0.31 0.00 0.00 175.10 173.21 1ik0 n PRO 5 N 1.26 -1.46 0.16 4.82 -0.02 -1.26 -4.71 135.00 133.78 1ik0 n PRO 5 Ca -0.02 -0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 60.94 1ik0 n PRO 5 Cb 0.48 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1ik0 n PRO 5 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ik0 h PRO 6 N -2.08 -0.42 -0.93 0.52 0.13 -1.99 -1.74 132.00 125.49 1ik0 h PRO 6 Ca -0.53 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ik0 h PRO 6 Cb 1.34 0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.52 1ik0 h PRO 6 CO 0.40 -0.10 0.59 0.66 -0.23 0.00 0.00 178.00 179.32 1ik0 h SER 7 N -0.88 1.09 -0.57 1.44 4.64 -1.96 -2.34 113.55 114.97 1ik0 h SER 7 Ca -0.04 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 1ik0 h SER 7 Cb 0.52 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1ik0 h SER 7 CO 0.07 0.81 -0.08 0.74 -0.87 0.00 0.00 176.83 177.50 1ik0 h THR 8 N 1.27 1.27 -0.45 2.95 2.02 -1.92 -2.35 112.91 115.69 1ik0 h THR 8 Ca 0.34 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.29 1ik0 h THR 8 Cb -0.10 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ik0 h THR 8 CO -0.07 0.44 0.26 0.00 0.37 0.00 0.00 175.52 176.53 1ik0 h ALA 9 N 0.95 0.56 -0.02 6.16 0.00 -0.79 0.12 119.26 126.25 1ik0 h ALA 9 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ik0 h ALA 9 Cb 0.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ik0 h ALA 9 CO 0.04 -0.05 0.01 1.25 0.00 0.00 0.00 179.25 180.50 1ik0 h LEU 10 N 0.53 0.02 -0.62 0.00 5.85 -1.33 0.45 115.31 120.22 1ik0 h LEU 10 Ca 0.18 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ik0 h LEU 10 Cb 0.01 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1ik0 h LEU 10 CO -0.08 0.02 0.41 0.03 -0.34 0.00 0.00 178.44 178.47 1ik0 h ARG 11 N 0.02 0.81 -0.91 1.25 3.08 -1.02 0.19 114.38 117.80 1ik0 h ARG 11 Ca 0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ik0 h ARG 11 Cb -0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1ik0 h ARG 11 CO -0.00 0.54 0.50 0.93 -1.07 0.00 0.00 179.97 180.87 1ik0 h GLU 12 N 0.84 1.27 -0.19 0.04 5.08 -0.46 -0.95 114.58 120.21 1ik0 h GLU 12 Ca 0.23 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1ik0 h GLU 12 Cb -0.10 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.90 1ik0 h GLU 12 CO -0.05 0.92 -0.16 1.25 -1.00 0.00 0.00 179.01 179.98 1ik0 h LEU 13 N 1.27 0.46 -0.38 1.33 5.85 -0.08 -2.27 115.31 121.49 1ik0 h LEU 13 Ca 0.32 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ik0 h LEU 13 Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1ik0 h LEU 13 CO -0.05 0.82 0.25 0.40 -0.34 0.00 0.00 178.44 179.52 1ik0 h ILE 14 N 0.10 1.10 -0.92 4.05 2.04 -0.39 0.56 117.51 124.06 1ik0 h ILE 14 Ca 0.03 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1ik0 h ILE 14 Cb 0.68 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1ik0 h ILE 14 CO 0.04 0.10 0.60 -0.33 0.00 0.00 0.00 178.15 178.57 1ik0 h GLU 15 N 0.52 1.21 -0.21 2.37 5.08 -1.16 -0.86 114.58 121.52 1ik0 h GLU 15 Ca 0.14 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1ik0 h GLU 15 Cb -0.05 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1ik0 h GLU 15 CO -0.03 0.80 -0.31 1.49 -1.00 0.00 0.00 179.01 179.97 1ik0 h GLU 16 N 1.24 0.58 -0.64 2.33 4.81 -0.94 -1.97 114.58 120.00 1ik0 h GLU 16 Ca 0.34 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ik0 h GLU 16 Cb -0.14 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1ik0 h GLU 16 CO -0.07 0.95 0.36 -0.07 -0.73 0.00 0.00 179.01 179.44 1ik0 h LEU 17 N 0.26 0.79 -0.52 1.64 3.38 -0.62 -2.57 115.31 117.68 1ik0 h LEU 17 Ca 0.02 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1ik0 h LEU 17 Cb 0.89 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ik0 h LEU 17 CO 0.07 0.64 0.03 0.58 0.09 0.00 0.00 178.44 179.85 1ik0 h VAL 18 N 0.87 1.26 -1.00 1.22 2.07 -1.15 -2.75 116.25 116.77 1ik0 h VAL 18 Ca 0.23 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1ik0 h VAL 18 Cb 0.02 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1ik0 h VAL 18 CO -0.04 0.37 0.66 -1.13 0.02 0.00 0.00 177.57 177.46 1ik0 h ASN 19 N 0.76 1.15 1.75 0.57 -0.73 -1.07 -1.05 115.58 116.96 1ik0 h ASN 19 Ca 0.15 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 1ik0 h ASN 19 Cb 0.49 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 1ik0 h ASN 19 CO 0.02 0.83 -0.05 0.16 -0.37 0.00 0.00 177.43 178.03 1ik0 h ILE 20 N 1.36 0.09 0.00 2.57 3.07 -1.37 -3.29 117.51 119.93 1ik0 h ILE 20 Ca 0.37 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1ik0 h ILE 20 Cb -0.16 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1ik0 h ILE 20 CO -0.08 0.05 -1.39 0.35 -1.05 0.00 0.00 178.15 176.02 1ik0 n THR 21 N -3.12 0.06 0.11 0.16 -2.24 -0.95 -3.84 114.28 104.46 1ik0 n THR 21 Ca 0.03 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1ik0 n THR 21 Cb 0.50 0.38 0.08 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.04 -0.01 -0.78 4.20 -1.27 -3.18 115.11 114.11 1ik0 h GLN 22 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ik0 h GLN 22 Cb 0.76 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ik0 h GLN 22 CO 0.00 0.76 -0.49 0.27 -0.67 0.00 0.00 178.83 178.70 1ik0 n ASN 23 N -3.69 1.34 -4.70 1.46 0.23 -1.26 -4.89 115.26 103.76 1ik0 n ASN 23 Ca -0.01 -1.07 -0.41 0.00 -0.53 0.00 0.00 54.58 52.56 1ik0 n ASN 23 Cb 0.72 0.42 -0.04 0.00 -2.08 0.00 0.00 39.78 38.79 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ik0 s GLN 24 N -2.63 4.42 0.00 -3.83 -2.07 -1.20 -4.98 119.66 109.37 1ik0 s GLN 24 Ca 0.18 1.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.80 1ik0 s GLN 24 Cb 0.18 -3.49 0.00 0.00 -1.09 0.00 0.00 33.01 28.61 1ik0 s GLN 24 CO 0.62 -0.10 0.00 1.17 -1.32 0.00 0.00 175.29 175.66 1ik0 n LYS 25 N 4.30 0.00 -2.20 9.60 4.81 -1.26 -4.94 118.16 128.47 1ik0 n LYS 25 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 1ik0 n LYS 25 Cb 0.50 -0.28 -0.02 0.00 0.02 0.00 0.00 35.03 35.26 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 -4.44 3.08 0.25 3.14 0.00 -1.26 -4.95 121.76 117.58 1ik0 s ALA 26 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 1ik0 s ALA 26 Cb 0.00 -3.10 -0.16 0.00 0.00 0.00 0.00 23.12 19.86 1ik0 s ALA 26 CO 0.00 -0.40 0.60 -2.30 0.00 0.00 0.00 175.76 173.65 1ik0 n PRO 27 N -2.02 0.34 -0.27 0.00 -0.02 -1.26 -4.84 135.00 126.93 1ik0 n PRO 27 Ca 0.06 0.12 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1ik0 n PRO 27 Cb 0.54 -1.23 0.06 0.00 -0.02 0.00 0.00 33.50 32.85 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 1.15 1.01-10.44 2.45 3.38 -1.96 -3.44 115.31 107.47 1ik0 h LEU 28 Ca -0.32 -0.16 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 1ik0 h LEU 28 Cb 1.42 -0.26 0.06 0.00 0.09 0.00 0.00 40.66 41.97 1ik0 h LEU 28 CO 0.57 0.89 0.30 0.00 0.09 0.00 0.00 178.44 180.29 1ik0 n ASN 30 N -2.77 1.83 -0.17 0.00 5.03 -1.26 -4.18 115.26 113.74 1ik0 n ASN 30 Ca 0.05 -1.65 -0.01 0.00 0.87 0.00 0.00 54.58 53.84 1ik0 n ASN 30 Cb 0.57 -0.44 -0.00 0.00 -1.02 0.00 0.00 39.78 38.89 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 2.29 0.33 3.78 7.41 0.00 -1.26 -4.98 105.19 112.75 1ik0 n GLY 31 Ca 0.07 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1ik0 n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ik0 n SER 32 N 1.72 3.81 -4.71 1.61 7.64 -1.26 -4.88 113.62 117.55 1ik0 n SER 32 Ca -0.02 1.23 -0.31 0.00 1.01 0.00 0.00 58.87 60.78 1ik0 n SER 32 Cb 0.47 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 61.97 1ik0 n SER 32 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ik0 s MET 33 N -2.09 2.72 0.16 1.43 -1.94 -1.26 -2.54 119.30 115.78 1ik0 s MET 33 Ca 0.53 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 1ik0 s MET 33 Cb -0.47 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1ik0 s MET 33 CO 0.64 0.58 -0.11 0.14 -0.01 0.00 0.00 175.02 176.25 1ik0 s VAL 34 N -1.25 1.32 0.01 -6.03 -7.23 -0.06 -4.86 120.40 102.30 1ik0 s VAL 34 Ca 0.24 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1ik0 s VAL 34 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1ik0 s VAL 34 CO 0.16 -0.71 1.15 0.26 -0.31 0.00 0.00 175.10 175.65 1ik0 s TRP 35 N -3.24 3.42 0.53 2.82 0.52 -1.26 -0.42 118.94 121.31 1ik0 s TRP 35 Ca 0.18 1.37 -0.20 0.00 0.02 0.00 0.00 56.10 57.48 1ik0 s TRP 35 Cb 0.02 -3.35 -0.06 0.00 -1.15 0.00 0.00 33.47 28.92 1ik0 s TRP 35 CO 0.02 -0.98 1.11 -1.54 0.02 0.00 0.00 176.95 175.58 1ik0 s SER 36 N 1.16 5.87 0.14 2.95 1.04 -1.01 -4.88 113.70 118.98 1ik0 s SER 36 Ca 0.56 2.12 0.02 0.00 0.48 0.00 0.00 55.95 59.14 1ik0 s SER 36 Cb -0.26 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.24 1ik0 s SER 36 CO 0.27 -1.11 -0.05 0.27 0.98 0.00 0.00 173.24 173.60 1ik0 s ILE 37 N -1.82 0.81 -0.13 -1.02 -4.36 -1.26 -4.83 121.20 108.60 1ik0 s ILE 37 Ca 0.71 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.86 1ik0 s ILE 37 Cb -0.22 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 1ik0 s ILE 37 CO 0.25 -0.67 0.83 0.20 0.24 0.00 0.00 174.94 175.79 1ik0 s ASN 38 N -3.13 7.02 -0.35 4.36 0.02 -1.26 -5.00 114.94 116.60 1ik0 s ASN 38 Ca 0.18 1.24 -0.28 0.00 -1.02 0.00 0.00 52.86 52.99 1ik0 s ASN 38 Cb 0.05 -2.46 0.02 0.00 0.02 0.00 0.00 41.25 38.87 1ik0 s ASN 38 CO 0.00 -0.33 1.03 -0.76 0.02 0.00 0.00 177.10 177.06 1ik0 s LEU 39 N 1.74 3.93 0.00 0.60 2.01 -1.26 -4.85 118.68 120.85 1ik0 s LEU 39 Ca 0.40 0.85 0.00 0.00 0.01 0.00 0.00 54.13 55.39 1ik0 s LEU 39 Cb -0.17 -3.44 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1ik0 s LEU 39 CO 0.15 -0.90 0.00 0.35 1.01 0.00 0.00 176.35 176.97 1ik0 n THR 40 N 5.97 0.00 -0.01 5.49 -2.24 -1.26 -5.06 114.28 117.18 1ik0 n THR 40 Ca 0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1ik0 n THR 40 Cb 0.48 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 2.47 -0.04 6.98 0.00 -1.26 -4.63 120.51 121.02 1ik0 n ALA 41 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ik0 n ALA 41 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 2.81 1.63 0.34 0.00 0.00 -1.26 -4.24 105.19 104.47 1ik0 n GLY 42 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 1.69 1.18 0.01 1.61 0.00 -1.89 -0.82 114.93 116.70 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 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 31.60 32.00 1ik0 h MET 43 CO 0.00 0.85 -0.00 1.88 0.00 0.00 0.00 176.91 179.63 1ik0 h TYR 44 N 1.18 -0.01 0.01 -0.22 -1.99 -1.91 0.61 116.97 114.64 1ik0 h TYR 44 Ca 0.30 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.03 1ik0 h TYR 44 Cb -0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1ik0 h TYR 44 CO 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.16 1ik0 h ALA 46 N 0.61 0.53 -0.82 0.00 0.00 -1.09 -2.16 119.26 116.34 1ik0 h ALA 46 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ik0 h ALA 46 Cb 0.36 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1ik0 h ALA 46 CO 0.00 -0.02 0.39 0.00 0.00 0.00 0.00 179.25 179.63 1ik0 h ALA 47 N 1.16 1.15 -0.00 0.00 0.00 0.27 -2.90 119.26 118.93 1ik0 h ALA 47 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ik0 h ALA 47 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ik0 h ALA 47 CO -0.03 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.11 1ik0 h LEU 48 N 1.16 0.00 -1.11 0.00 5.85 -0.37 -2.14 115.31 118.70 1ik0 h LEU 48 Ca 0.28 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1ik0 h LEU 48 Cb 0.11 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1ik0 h LEU 48 CO -0.04 0.00 0.60 1.05 -0.34 0.00 0.00 178.44 179.72 1ik0 h GLU 49 N 0.01 1.15 -0.84 1.25 4.11 -1.31 -0.77 114.58 118.17 1ik0 h GLU 49 Ca 0.00 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1ik0 h GLU 49 Cb -0.00 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 28.95 1ik0 h GLU 49 CO -0.00 0.76 0.39 0.77 0.07 0.00 0.00 179.01 181.00 1ik0 h SER 50 N 1.18 1.12 0.11 3.06 0.02 -1.29 -2.34 113.55 115.41 1ik0 h SER 50 Ca 0.35 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1ik0 h SER 50 Cb -0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1ik0 h SER 50 CO -0.10 0.95 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.09 1ik0 h LEU 51 N 1.21 0.39 -2.23 5.07 3.38 -0.65 -2.54 115.31 119.94 1ik0 h LEU 51 Ca 0.29 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ik0 h LEU 51 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ik0 h LEU 51 CO -0.03 0.74 0.26 0.40 0.09 0.00 0.00 178.44 179.90 1ik0 h ILE 52 N 0.32 0.09 -0.00 1.22 1.08 -0.60 0.56 117.51 120.17 1ik0 h ILE 52 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1ik0 h ILE 52 Cb 0.82 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1ik0 h ILE 52 CO 0.07 0.00 -0.11 0.59 -0.69 0.00 0.00 178.15 178.00 1ik0 n ASN 53 N -3.11 0.16 -4.67 1.72 5.03 -0.96 -4.76 115.26 108.67 1ik0 n ASN 53 Ca -0.01 0.15 -0.40 0.00 0.87 0.00 0.00 54.58 55.19 1ik0 n ASN 53 Cb 0.33 -0.28 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 1ik0 n ASN 53 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ik0 s VAL 54 N -2.89 5.02 0.03 2.41 1.01 0.20 -5.03 120.40 121.14 1ik0 s VAL 54 Ca 0.17 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1ik0 s VAL 54 Cb 0.19 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ik0 s VAL 54 CO 0.55 0.13 -0.17 -0.44 0.00 0.00 0.00 175.10 175.17 1ik0 s SER 55 N 1.13 2.02 0.00 3.32 0.01 -1.26 -4.78 113.70 114.14 1ik0 s SER 55 Ca 0.30 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1ik0 s SER 55 Cb -0.16 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1ik0 s SER 55 CO 0.11 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1ik0 n GLY 56 N 2.02 1.14 2.65 3.44 0.00 -1.26 -5.01 105.19 108.16 1ik0 n GLY 56 Ca -0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 7.63 0.76 -1.25 0.00 0.87 -1.98 -3.11 113.55 116.45 1ik0 h SER 58 Ca -0.04 -0.34 0.36 0.00 -1.23 0.00 0.00 61.79 60.53 1ik0 h SER 58 Cb 1.03 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1ik0 h SER 58 CO 0.30 1.07 0.89 0.00 -0.53 0.00 0.00 176.83 178.55 1ik0 h ALA 59 N 0.97 3.10 -0.01 6.23 0.00 -1.99 0.13 119.26 127.69 1ik0 h ALA 59 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ik0 h ALA 59 Cb 0.94 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ik0 h ALA 59 CO 0.09 -1.48 -0.76 0.44 0.00 0.00 0.00 179.25 177.54 1ik0 n ILE 60 N -4.22 0.00 -0.32 0.00 -5.35 -1.18 -4.36 119.36 103.93 1ik0 n ILE 60 Ca 0.28 -0.12 -0.03 0.00 -0.27 0.00 0.00 62.75 62.60 1ik0 n ILE 60 Cb 1.29 1.11 0.08 0.00 -1.74 0.00 0.00 39.64 40.39 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 1.02 1.15 -0.90 6.28 5.08 -0.77 -0.84 114.58 125.60 1ik0 h GLU 61 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ik0 h GLU 61 Cb 0.60 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1ik0 h GLU 61 CO 0.00 0.76 0.50 0.87 -1.00 0.00 0.00 179.01 180.14 1ik0 h LYS 62 N 1.18 1.25 -0.96 2.33 1.57 -1.76 -1.80 116.57 118.38 1ik0 h LYS 62 Ca 0.32 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ik0 h LYS 62 Cb -0.13 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 31.89 1ik0 h LYS 62 CO -0.07 0.91 0.59 1.15 -0.57 0.00 0.00 179.45 181.46 1ik0 h THR 63 N 1.26 1.26 -0.60 -0.16 2.02 -1.46 -2.74 112.91 112.48 1ik0 h THR 63 Ca 0.32 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1ik0 h THR 63 Cb 0.02 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.30 1ik0 h THR 63 CO -0.05 0.27 0.40 1.56 0.37 0.00 0.00 175.52 178.07 1ik0 h GLN 64 N 1.32 0.79 -0.49 6.66 4.20 -0.31 -0.63 115.11 126.66 1ik0 h GLN 64 Ca 0.35 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.91 1ik0 h GLN 64 Cb -0.07 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1ik0 h GLN 64 CO -0.07 0.52 -0.10 0.07 -0.67 0.00 0.00 178.83 178.59 1ik0 h ARG 65 N 0.82 0.93 -0.78 1.46 0.11 -1.30 -2.31 114.38 113.31 1ik0 h ARG 65 Ca 0.22 -0.35 -0.05 0.00 0.10 0.00 0.00 59.98 59.90 1ik0 h ARG 65 Cb -0.09 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 30.90 1ik0 h ARG 65 CO -0.05 1.00 0.29 0.52 0.10 0.00 0.00 179.97 181.83 1ik0 h MET 66 N 0.78 1.18 -1.00 0.08 2.86 -1.20 -2.22 114.93 115.41 1ik0 h MET 66 Ca 0.13 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1ik0 h MET 66 Cb 0.65 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1ik0 h MET 66 CO 0.04 0.97 0.66 -0.07 1.06 0.00 0.00 176.91 179.58 1ik0 h LEU 67 N 1.14 1.15 -1.53 1.22 3.38 -0.93 -0.91 115.31 118.83 1ik0 h LEU 67 Ca 0.26 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1ik0 h LEU 67 Cb 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ik0 h LEU 67 CO -0.02 0.84 0.46 0.28 0.09 0.00 0.00 178.44 180.09 1ik0 h SER 68 N 1.36 0.47 -1.00 -0.43 0.02 -0.83 0.11 113.55 113.24 1ik0 h SER 68 Ca 0.37 0.01 0.27 0.00 -0.84 0.00 0.00 61.79 61.60 1ik0 h SER 68 Cb -0.15 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.25 1ik0 h SER 68 CO -0.08 0.27 0.69 1.23 -1.14 0.00 0.00 176.83 177.81 1ik0 h GLY 69 N 0.52 0.46 -1.12 -3.77 0.00 -0.99 1.28 103.07 99.44 1ik0 h GLY 69 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1ik0 h GLY 69 CO -0.11 -0.04 -0.18 0.69 0.00 0.00 0.00 176.54 176.91 1ik0 n PHE 70 N -4.38 0.00 -3.49 5.60 3.72 0.33 -4.63 117.46 114.62 1ik0 n PHE 70 Ca 0.22 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.34 1ik0 n PHE 70 Cb 0.96 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 39.38 1ik0 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ik0 h PRO 72 N 6.20 0.00 -5.37 0.00 0.11 -1.80 -3.39 132.00 127.75 1ik0 h PRO 72 Ca 0.16 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.61 1ik0 h PRO 72 Cb 0.92 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.88 1ik0 h PRO 72 CO 0.37 0.00 0.14 -3.38 -0.21 0.00 0.00 178.00 174.92 1ik0 s HIS 73 N -4.17 3.05 0.30 0.65 -3.43 -1.26 -5.04 115.29 105.39 1ik0 s HIS 73 Ca -0.04 -0.12 -0.28 0.00 -0.80 0.00 0.00 55.06 53.82 1ik0 s HIS 73 Cb 0.10 -3.42 -0.09 0.00 -1.43 0.00 0.00 32.58 27.74 1ik0 s HIS 73 CO 0.33 -0.92 1.03 0.15 -2.00 0.00 0.00 174.74 173.33 1ik0 s LYS 74 N 2.86 4.58 -0.15 -0.38 1.02 -1.26 -5.04 119.74 121.37 1ik0 s LYS 74 Ca 0.22 1.61 -0.03 0.00 0.02 0.00 0.00 55.97 57.79 1ik0 s LYS 74 Cb -0.15 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1ik0 s LYS 74 CO 0.18 0.21 -0.06 0.08 -0.92 0.00 0.00 175.35 174.85 1ik0 s VAL 75 N -1.33 3.73 0.52 3.17 1.01 -1.26 -5.10 120.40 121.13 1ik0 s VAL 75 Ca 0.47 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1ik0 s VAL 75 Cb -0.27 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ik0 s VAL 75 CO 0.34 0.50 0.73 -0.94 0.00 0.00 0.00 175.10 175.73 1ik0 s SER 76 N 0.35 5.41 0.49 3.32 1.04 -1.25 -4.95 113.70 118.10 1ik0 s SER 76 Ca -0.06 -0.04 0.33 0.00 0.48 0.00 0.00 55.95 56.67 1ik0 s SER 76 Cb -0.15 -0.93 1.70 0.00 0.10 0.00 0.00 66.02 66.74 1ik0 s SER 76 CO 0.04 -1.03 2.00 0.00 0.98 0.00 0.00 173.24 175.23 1ik0 h ALA 77 N 0.20 1.00 0.03 5.32 0.00 -1.98 -2.39 119.26 121.43 1ik0 h ALA 77 Ca -0.42 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 1ik0 h ALA 77 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1ik0 h ALA 77 CO 0.52 0.00 -2.06 0.41 0.00 0.00 0.00 179.25 178.11 1ik0 n GLY 78 N -0.88 -0.82 3.69 0.00 0.00 -1.26 -4.86 105.19 101.07 1ik0 n GLY 78 Ca -0.01 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 4.24 0.08 1.61 -1.52 -0.90 -5.07 119.66 115.54 1ik0 s GLN 79 Ca -0.14 0.31 0.05 0.00 -1.95 0.00 0.00 55.36 53.63 1ik0 s GLN 79 Cb 0.07 -3.50 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 1ik0 s GLN 79 CO 0.78 0.02 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.64 1ik0 s PHE 80 N 1.10 1.27 0.00 0.91 0.08 -1.26 -3.87 117.98 116.21 1ik0 s PHE 80 Ca 0.22 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ik0 s PHE 80 Cb -0.15 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1ik0 s PHE 80 CO 0.09 0.07 0.00 0.43 -0.10 0.00 0.00 175.22 175.71 1ik0 n SER 81 N 1.18 0.47 -0.67 1.36 7.64 -1.26 -4.80 113.62 117.54 1ik0 n SER 81 Ca -0.20 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.81 1ik0 n SER 81 Cb 0.54 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.08 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 -2.88 2.12 -1.04 6.43 2.88 -1.26 -4.14 113.62 115.73 1ik0 n SER 82 Ca 0.00 -1.69 0.01 0.00 -1.33 0.00 0.00 58.87 55.85 1ik0 n SER 82 Cb 0.45 0.01 0.12 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.64 2.88 0.03 2.46 4.77 -1.26 -4.02 117.00 122.49 1ik0 n LEU 83 Ca 0.17 -1.46 -0.20 0.00 -0.03 0.00 0.00 56.01 54.48 1ik0 n LEU 83 Cb 0.46 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1ik0 n LEU 83 CO 0.16 0.43 0.12 0.45 -1.33 0.00 0.00 177.39 177.22 1ik0 h HIS 84 N 1.17 1.06 -4.10 -1.77 3.86 -1.93 -3.45 115.15 109.99 1ik0 h HIS 84 Ca 0.04 -0.55 -0.46 0.00 -1.16 0.00 0.00 60.37 58.23 1ik0 h HIS 84 Cb 1.11 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.46 1ik0 h HIS 84 CO 0.40 1.39 0.36 0.08 0.86 0.00 0.00 177.93 181.02 1ik0 s VAL 85 N -3.41 4.17 -1.25 2.45 1.01 -1.26 -4.96 120.40 117.16 1ik0 s VAL 85 Ca -0.10 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 1ik0 s VAL 85 Cb 0.07 -3.55 0.18 0.00 0.00 0.00 0.00 36.38 33.08 1ik0 s VAL 85 CO 0.92 -0.38 1.71 0.54 0.00 0.00 0.00 175.10 177.89 1ik0 n ARG 86 N -1.06 3.60 -2.12 2.72 1.74 -1.26 -4.99 116.66 115.29 1ik0 n ARG 86 Ca 0.08 -3.70 -0.28 0.00 -0.77 0.00 0.00 57.85 53.18 1ik0 n ARG 86 Cb 0.53 -2.93 0.14 0.00 -1.02 0.00 0.00 32.46 29.19 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 1.30 3.80 0.14 0.55 1.01 -1.26 -5.06 116.67 117.14 1ik0 s ASP 87 Ca 0.40 0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.78 1ik0 s ASP 87 Cb 0.05 -0.47 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 1ik0 s ASP 87 CO 0.01 -2.28 0.44 -0.89 0.21 0.00 0.00 175.17 172.66 1ik0 s THR 88 N -3.59 5.06 0.32 -1.27 2.01 -1.26 -4.89 115.64 112.01 1ik0 s THR 88 Ca 0.69 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 1ik0 s THR 88 Cb -0.06 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1ik0 s THR 88 CO 0.49 0.12 0.71 -0.54 -0.69 0.00 0.00 174.62 174.72 1ik0 s LYS 89 N -2.36 3.95 0.14 4.92 1.02 -1.26 -2.40 119.74 123.74 1ik0 s LYS 89 Ca 0.39 0.59 0.03 0.00 0.02 0.00 0.00 55.97 57.00 1ik0 s LYS 89 Cb -0.13 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1ik0 s LYS 89 CO 0.21 0.16 -0.08 0.96 -0.92 0.00 0.00 175.35 175.68 1ik0 s ILE 90 N -2.01 0.98 0.50 2.17 -4.36 0.44 -4.88 121.20 114.05 1ik0 s ILE 90 Ca 0.53 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.68 1ik0 s ILE 90 Cb -0.10 -1.84 -0.06 0.00 1.25 0.00 0.00 42.46 41.71 1ik0 s ILE 90 CO 0.19 -0.75 1.25 -1.61 0.24 0.00 0.00 174.94 174.26 1ik0 s GLU 91 N -3.79 3.47 0.25 0.37 2.02 -1.26 -0.88 118.70 118.88 1ik0 s GLU 91 Ca 0.16 1.97 -0.05 0.00 0.02 0.00 0.00 54.97 57.07 1ik0 s GLU 91 Cb 0.04 -2.33 0.28 0.00 0.10 0.00 0.00 34.13 32.23 1ik0 s GLU 91 CO -0.01 -0.85 1.92 0.28 0.02 0.00 0.00 175.26 176.63 1ik0 h VAL 92 N 1.65 1.23 -0.75 2.63 2.07 -1.83 -2.01 116.25 119.24 1ik0 h VAL 92 Ca -0.50 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 66.69 1ik0 h VAL 92 Cb 1.27 -0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 1ik0 h VAL 92 CO 0.59 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.77 1ik0 h ALA 93 N 1.38 1.06 -0.05 1.67 0.00 -1.91 -0.09 119.26 121.33 1ik0 h ALA 93 Ca 0.38 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 1ik0 h ALA 93 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ik0 h ALA 93 CO -0.10 -0.12 -0.75 1.96 0.00 0.00 0.00 179.25 180.24 1ik0 h GLN 94 N 0.54 0.29 -0.08 0.00 1.08 -1.83 -2.89 115.11 112.22 1ik0 h GLN 94 Ca 0.40 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1ik0 h GLN 94 Cb 0.52 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1ik0 h GLN 94 CO -0.34 0.91 0.05 0.35 -0.95 0.00 0.00 178.83 178.85 1ik0 h PHE 95 N 0.19 0.09 -0.30 2.96 3.04 -0.37 0.07 116.94 122.62 1ik0 h PHE 95 Ca -0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1ik0 h PHE 95 Cb 1.32 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.79 1ik0 h PHE 95 CO 0.03 0.06 0.17 0.28 -2.02 0.00 0.00 178.31 176.84 1ik0 h VAL 96 N 0.10 1.12 -0.54 1.41 2.07 -1.10 -1.27 116.25 118.03 1ik0 h VAL 96 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1ik0 h VAL 96 Cb -0.01 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ik0 h VAL 96 CO -0.01 0.12 0.29 0.11 0.02 0.00 0.00 177.57 178.11 1ik0 h LYS 97 N 0.38 0.76 -0.83 1.57 1.57 -1.29 0.06 116.57 118.80 1ik0 h LYS 97 Ca 0.11 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ik0 h LYS 97 Cb 0.05 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1ik0 h LYS 97 CO -0.02 0.59 0.55 -0.44 -0.57 0.00 0.00 179.45 179.56 1ik0 h ASP 98 N 0.73 0.95 -0.29 0.86 3.32 -0.75 -1.52 116.42 119.73 1ik0 h ASP 98 Ca 0.19 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1ik0 h ASP 98 Cb 0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1ik0 h ASP 98 CO -0.03 0.69 -0.03 0.25 -1.72 0.00 0.00 179.24 178.40 1ik0 h LEU 99 N 1.12 0.63 -0.65 1.55 5.85 -0.69 -3.00 115.31 120.11 1ik0 h LEU 99 Ca 0.30 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1ik0 h LEU 99 Cb -0.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1ik0 h LEU 99 CO -0.07 0.72 0.41 0.25 -0.34 0.00 0.00 178.44 179.42 1ik0 h LEU 100 N 0.61 0.69 -0.59 2.25 5.85 0.06 -0.79 115.31 123.40 1ik0 h LEU 100 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ik0 h LEU 100 Cb 0.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1ik0 h LEU 100 CO 0.02 0.49 0.39 -0.07 -0.34 0.00 0.00 178.44 178.92 1ik0 h LEU 101 N 0.82 0.67 -0.50 2.25 -0.00 -1.36 -2.76 115.31 114.43 1ik0 h LEU 101 Ca 0.25 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.97 1ik0 h LEU 101 Cb -0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 1ik0 h LEU 101 CO -0.09 0.49 -0.41 0.45 -0.00 0.00 0.00 178.44 178.88 1ik0 h HIS 102 N 0.79 0.94 -0.01 1.13 3.86 -1.49 -2.72 115.15 117.66 1ik0 h HIS 102 Ca 0.22 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ik0 h HIS 102 Cb -0.09 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 1ik0 h HIS 102 CO -0.03 1.06 -0.01 -0.07 0.86 0.00 0.00 177.93 179.74 1ik0 h LEU 103 N 0.64 -0.03 -1.44 2.43 3.38 -0.88 -1.90 115.31 117.53 1ik0 h LEU 103 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ik0 h LEU 103 Cb 0.97 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ik0 h LEU 103 CO 0.09 -0.01 -0.09 0.07 0.09 0.00 0.00 178.44 178.58 1ik0 h LYS 104 N -0.01 0.00 -0.17 1.13 2.10 -1.57 -3.16 116.57 114.89 1ik0 h LYS 104 Ca 0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1ik0 h LYS 104 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1ik0 h LYS 104 CO -0.01 0.09 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.30 1ik0 h LYS 105 N 0.00 0.30 0.00 0.07 3.64 -1.02 -2.69 116.57 116.87 1ik0 h LYS 105 Ca -0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1ik0 h LYS 105 Cb 0.56 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ik0 h LYS 105 CO 0.01 0.52 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.62 1ik0 h LEU 106 N 0.04 0.00 -1.01 5.20 -0.00 -1.44 -1.87 115.31 116.22 1ik0 h LEU 106 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1ik0 h LEU 106 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 1ik0 h LEU 106 CO 0.01 0.02 0.66 0.15 -0.00 0.00 0.00 178.44 179.28 1ik0 h PHE 107 N 0.00 1.26 -0.33 1.13 3.57 -1.53 -0.38 116.94 120.67 1ik0 h PHE 107 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1ik0 h PHE 107 Cb 0.05 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1ik0 h PHE 107 CO 0.00 0.80 0.10 0.00 -2.23 0.00 0.00 178.31 176.98 1ik0 h ARG 108 N 1.36 0.47 0.00 1.11 3.08 -1.36 -1.58 114.38 117.47 1ik0 h ARG 108 Ca 0.37 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ik0 h ARG 108 Cb -0.15 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1ik0 h ARG 108 CO -0.08 0.42 -0.35 0.39 -1.07 0.00 0.00 179.97 179.28 1ik0 n GLU 109 N -4.38 0.19 -0.90 0.04 -0.58 -0.58 -4.90 120.64 109.53 1ik0 n GLU 109 Ca 0.02 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1ik0 n GLU 109 Cb 0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1ik0 n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ik0 n GLY 110 N 1.39 0.12 3.38 0.62 0.00 -0.26 -4.90 105.19 105.55 1ik0 n GLY 110 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.40 3.16 -0.13 1.61 0.52 -1.23 -5.02 118.95 116.45 1ik0 s ARG 111 Ca 0.00 -1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 1ik0 s ARG 111 Cb 0.00 -4.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.07 1ik0 s ARG 111 CO 0.00 -1.57 0.33 -0.06 0.02 0.00 0.00 175.30 174.03 1ik0 s PHE 112 N 2.56 3.50 0.00 -0.53 0.08 -1.26 -4.87 117.98 117.46 1ik0 s PHE 112 Ca 0.15 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.89 1ik0 s PHE 112 Cb -0.20 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1ik0 s PHE 112 CO 0.03 0.29 0.00 -1.71 -0.10 0.00 0.00 175.22 173.73