#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 1.00 3.03 0.00 -1.26 -4.99 107.32 106.77 1ik0 s GLY 2 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 1ik0 s GLY 2 CO 0.00 0.55 -0.05 -1.05 0.00 0.00 0.00 173.10 172.56 1ik0 n PRO 3 N -3.59 -1.63 -2.80 2.90 -0.01 -1.26 -4.94 135.00 123.68 1ik0 n PRO 3 Ca 0.08 -0.48 -0.32 0.00 -0.01 0.00 0.00 63.50 62.77 1ik0 n PRO 3 Cb 0.54 -1.43 -0.06 0.00 -0.01 0.00 0.00 33.50 32.53 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 -2.10 4.52 1.12 -1.45 -7.23 -1.26 -5.04 120.40 108.95 1ik0 s VAL 4 Ca 0.39 1.24 -0.12 0.00 -1.81 0.00 0.00 61.98 61.67 1ik0 s VAL 4 Cb -0.05 -3.64 0.25 0.00 0.56 0.00 0.00 36.38 33.50 1ik0 s VAL 4 CO 0.44 -0.39 1.00 -0.81 -0.31 0.00 0.00 175.10 175.03 1ik0 n PRO 5 N -0.85 -1.97 0.11 4.82 -0.04 -1.26 -4.71 135.00 131.09 1ik0 n PRO 5 Ca 0.06 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.85 1ik0 n PRO 5 Cb 0.54 -2.19 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 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 -2.48 -0.21 -0.99 0.54 0.13 -1.99 -1.35 132.00 125.64 1ik0 h PRO 6 Ca -0.57 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1ik0 h PRO 6 Cb 1.32 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 1ik0 h PRO 6 CO 0.47 -0.03 0.64 0.66 -0.23 0.00 0.00 178.00 179.51 1ik0 h SER 7 N -0.36 1.15 -0.39 1.44 4.64 -1.97 -1.53 113.55 116.54 1ik0 h SER 7 Ca -0.02 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1ik0 h SER 7 Cb 0.28 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ik0 h SER 7 CO 0.04 0.85 -0.37 0.74 -0.87 0.00 0.00 176.83 177.21 1ik0 h THR 8 N 1.35 1.27 -0.40 2.95 2.02 -1.91 -2.62 112.91 115.59 1ik0 h THR 8 Ca 0.36 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1ik0 h THR 8 Cb -0.13 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1ik0 h THR 8 CO -0.08 0.52 0.21 0.00 0.37 0.00 0.00 175.52 176.54 1ik0 h ALA 9 N 0.78 0.51 -0.41 6.16 0.00 -0.79 -1.01 119.26 124.49 1ik0 h ALA 9 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ik0 h ALA 9 Cb 0.97 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1ik0 h ALA 9 CO 0.09 0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.90 1ik0 h LEU 10 N 0.51 0.49 -0.62 0.00 5.85 -1.26 0.20 115.31 120.48 1ik0 h LEU 10 Ca 0.14 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ik0 h LEU 10 Cb 0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1ik0 h LEU 10 CO -0.02 0.39 0.41 0.03 -0.34 0.00 0.00 178.44 178.91 1ik0 h ARG 11 N 0.55 0.82 -0.79 1.25 3.08 -1.21 0.22 114.38 118.30 1ik0 h ARG 11 Ca 0.15 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1ik0 h ARG 11 Cb -0.02 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1ik0 h ARG 11 CO -0.03 0.55 0.31 0.93 -1.07 0.00 0.00 179.97 180.66 1ik0 h GLU 12 N 0.85 1.19 -0.23 0.04 5.08 -0.67 -1.54 114.58 119.29 1ik0 h GLU 12 Ca 0.23 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1ik0 h GLU 12 Cb -0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1ik0 h GLU 12 CO -0.05 0.96 -0.13 1.25 -1.00 0.00 0.00 179.01 180.04 1ik0 h LEU 13 N 1.16 0.52 -0.00 1.33 5.85 0.22 -1.66 115.31 122.72 1ik0 h LEU 13 Ca 0.26 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ik0 h LEU 13 Cb 0.22 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1ik0 h LEU 13 CO -0.02 0.83 0.00 0.40 -0.34 0.00 0.00 178.44 179.31 1ik0 h ILE 14 N 0.21 1.01 -0.87 4.05 2.04 -0.41 -0.66 117.51 122.89 1ik0 h ILE 14 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1ik0 h ILE 14 Cb 0.64 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1ik0 h ILE 14 CO 0.04 0.01 0.55 -0.33 0.00 0.00 0.00 178.15 178.42 1ik0 h GLU 15 N -0.01 1.16 -0.29 2.37 4.39 -1.28 -2.13 114.58 118.79 1ik0 h GLU 15 Ca 0.00 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1ik0 h GLU 15 Cb 0.01 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1ik0 h GLU 15 CO -0.00 0.79 -0.31 1.49 -1.16 0.00 0.00 179.01 179.82 1ik0 h GLU 16 N 1.18 0.72 -0.69 2.33 4.81 -1.05 -2.47 114.58 119.41 1ik0 h GLU 16 Ca 0.31 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1ik0 h GLU 16 Cb -0.10 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1ik0 h GLU 16 CO -0.06 1.01 0.36 -0.07 -0.73 0.00 0.00 179.01 179.51 1ik0 h LEU 17 N 0.46 0.89 -0.72 1.64 3.38 -0.93 -2.62 115.31 117.40 1ik0 h LEU 17 Ca 0.04 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1ik0 h LEU 17 Cb 0.89 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1ik0 h LEU 17 CO 0.08 0.75 0.18 0.58 0.09 0.00 0.00 178.44 180.11 1ik0 h VAL 18 N 0.96 1.26 -0.53 1.22 2.07 -1.36 -2.39 116.25 117.49 1ik0 h VAL 18 Ca 0.24 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ik0 h VAL 18 Cb 0.08 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1ik0 h VAL 18 CO -0.04 0.38 0.34 -1.13 0.02 0.00 0.00 177.57 177.14 1ik0 h ASN 19 N 1.09 0.58 1.53 0.57 -0.00 -1.09 -0.72 115.58 117.56 1ik0 h ASN 19 Ca 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.52 1ik0 h ASN 19 Cb 0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 1ik0 h ASN 19 CO 0.00 0.42 0.00 0.16 -0.00 0.00 0.00 177.43 178.01 1ik0 h ILE 20 N 0.69 0.00 0.00 2.57 3.07 -1.37 -3.31 117.51 119.17 1ik0 h ILE 20 Ca 0.20 -0.62 -0.03 0.00 1.55 0.00 0.00 64.86 65.96 1ik0 h ILE 20 Cb -0.06 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 1ik0 h ILE 20 CO -0.05 0.00 -1.96 0.35 -1.05 0.00 0.00 178.15 175.44 1ik0 n THR 21 N -2.58 0.15 0.01 0.16 -2.24 -0.91 -3.83 114.28 105.04 1ik0 n THR 21 Ca 0.04 -0.53 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1ik0 n THR 21 Cb 0.43 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.67 -0.04 -0.78 4.20 -1.22 -3.19 115.11 114.75 1ik0 h GLN 22 Ca -0.04 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1ik0 h GLN 22 Cb 1.10 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1ik0 h GLN 22 CO 0.00 1.18 0.00 0.09 -0.67 0.00 0.00 178.83 179.43 1ik0 n ASN 23 N -3.89 1.76 -4.72 1.46 3.02 -1.25 -4.88 115.26 106.75 1ik0 n ASN 23 Ca -0.07 -1.60 -0.41 0.00 -0.03 0.00 0.00 54.58 52.47 1ik0 n ASN 23 Cb 0.75 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.97 4.53 0.00 3.52 1.03 -1.21 -4.98 119.66 120.58 1ik0 s GLN 24 Ca 0.36 1.21 0.00 0.00 0.04 0.00 0.00 55.36 56.98 1ik0 s GLN 24 Cb 0.21 -3.43 0.00 0.00 0.03 0.00 0.00 33.01 29.82 1ik0 s GLN 24 CO 0.32 0.07 0.00 1.17 -2.54 0.00 0.00 175.29 174.31 1ik0 n LYS 25 N 3.54 0.00 -2.77 9.60 4.81 -1.26 -4.95 118.16 127.12 1ik0 n LYS 25 Ca 0.02 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.32 1ik0 n LYS 25 Cb 0.51 -0.50 0.01 0.00 0.02 0.00 0.00 35.03 35.06 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 -3.88 3.50 0.42 3.14 0.00 -1.26 -5.00 121.76 118.67 1ik0 s ALA 26 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1ik0 s ALA 26 Cb 0.00 -2.43 -0.14 0.00 0.00 0.00 0.00 23.12 20.55 1ik0 s ALA 26 CO 0.00 -0.40 0.30 -2.30 0.00 0.00 0.00 175.76 173.36 1ik0 n PRO 27 N -2.22 0.26 -0.31 0.00 -0.02 -1.26 -4.83 135.00 126.62 1ik0 n PRO 27 Ca 0.01 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1ik0 n PRO 27 Cb 0.56 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.87 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 0.51 1.12-10.65 2.45 3.38 -1.97 -3.43 115.31 106.72 1ik0 h LEU 28 Ca -0.39 -0.15 -0.46 0.00 0.09 0.00 0.00 57.88 56.98 1ik0 h LEU 28 Cb 1.42 -0.29 0.10 0.00 0.09 0.00 0.00 40.66 41.99 1ik0 h LEU 28 CO 0.49 0.95 0.30 0.00 0.09 0.00 0.00 178.44 180.27 1ik0 n ASN 30 N -3.18 1.99 -0.31 0.00 6.94 -1.26 -4.31 115.26 115.12 1ik0 n ASN 30 Ca 0.10 -1.59 -0.03 0.00 -0.02 0.00 0.00 54.58 53.04 1ik0 n ASN 30 Cb 0.60 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.57 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ik0 n GLY 31 N 2.00 0.42 3.76 4.83 0.00 -1.26 -5.00 105.19 109.94 1ik0 n GLY 31 Ca 0.03 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.91 5.54 0.24 1.61 0.01 -1.26 -4.88 113.70 112.05 1ik0 s SER 32 Ca 0.00 2.49 0.08 0.00 1.31 0.00 0.00 55.95 59.83 1ik0 s SER 32 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1ik0 s SER 32 CO 0.00 -1.36 0.07 -0.04 0.41 0.00 0.00 173.24 172.32 1ik0 s MET 33 N -2.97 2.56 0.14 12.44 -1.94 -1.26 -2.53 119.30 125.74 1ik0 s MET 33 Ca 0.71 -1.21 0.04 0.00 -1.71 0.00 0.00 55.69 53.52 1ik0 s MET 33 Cb -0.33 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 1ik0 s MET 33 CO 0.39 0.40 -0.10 0.14 -0.01 0.00 0.00 175.02 175.84 1ik0 s VAL 34 N -2.12 1.10 0.04 -6.03 -7.23 0.17 -4.85 120.40 101.49 1ik0 s VAL 34 Ca 0.31 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1ik0 s VAL 34 Cb -0.08 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 1ik0 s VAL 34 CO 0.21 -0.77 1.11 0.26 -0.31 0.00 0.00 175.10 175.61 1ik0 s TRP 35 N -3.37 3.53 0.55 2.82 0.52 -1.26 0.01 118.94 121.74 1ik0 s TRP 35 Ca 0.16 1.46 -0.19 0.00 0.02 0.00 0.00 56.10 57.55 1ik0 s TRP 35 Cb 0.03 -3.30 -0.05 0.00 -1.15 0.00 0.00 33.47 28.99 1ik0 s TRP 35 CO -0.00 -0.78 1.14 -1.54 0.02 0.00 0.00 176.95 175.78 1ik0 s SER 36 N 0.99 5.65 0.26 2.95 1.04 -1.24 -4.91 113.70 118.45 1ik0 s SER 36 Ca 0.56 2.19 0.02 0.00 0.48 0.00 0.00 55.95 59.20 1ik0 s SER 36 Cb -0.26 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.22 1ik0 s SER 36 CO 0.29 -1.27 0.06 0.27 0.98 0.00 0.00 173.24 173.57 1ik0 s ILE 37 N -1.78 0.83 -0.23 -1.02 -4.36 -1.26 -4.96 121.20 108.42 1ik0 s ILE 37 Ca 0.73 -2.01 -0.21 0.00 -0.26 0.00 0.00 60.65 58.90 1ik0 s ILE 37 Cb -0.24 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 1ik0 s ILE 37 CO 0.28 -0.10 0.65 0.20 0.24 0.00 0.00 174.94 176.21 1ik0 s ASN 38 N -3.35 6.65 -0.29 4.36 -0.87 -1.26 -5.01 114.94 115.17 1ik0 s ASN 38 Ca 0.35 0.79 -0.28 0.00 -1.57 0.00 0.00 52.86 52.14 1ik0 s ASN 38 Cb 0.08 -2.35 0.01 0.00 -0.02 0.00 0.00 41.25 38.97 1ik0 s ASN 38 CO 0.12 -0.35 1.03 -0.76 -2.57 0.00 0.00 177.10 174.58 1ik0 s LEU 39 N 2.31 4.01 0.00 0.60 2.01 -1.26 -4.85 118.68 121.50 1ik0 s LEU 39 Ca 0.28 1.14 0.00 0.00 0.01 0.00 0.00 54.13 55.56 1ik0 s LEU 39 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 46.19 42.55 1ik0 s LEU 39 CO 0.09 -0.78 0.00 0.35 1.01 0.00 0.00 176.35 177.02 1ik0 n THR 40 N 5.64 0.00 -0.13 5.49 -2.24 -1.26 -5.04 114.28 116.74 1ik0 n THR 40 Ca 0.11 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.71 1ik0 n THR 40 Cb 0.47 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.43 -0.56 6.98 0.00 -1.26 -4.39 120.51 119.72 1ik0 n ALA 41 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.22 1ik0 n ALA 41 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 2.25 3.54 0.21 0.00 0.00 -1.26 -4.49 105.19 105.44 1ik0 n GLY 42 Ca -0.46 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 1.11 0.67 -0.66 1.61 0.00 -1.89 0.07 114.93 115.85 1ik0 h MET 43 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 59.70 59.88 1ik0 h MET 43 Cb 1.13 -0.15 -0.03 0.00 0.00 0.00 0.00 31.60 32.54 1ik0 h MET 43 CO 0.55 0.45 0.40 1.88 0.00 0.00 0.00 176.91 180.18 1ik0 h TYR 44 N 0.69 0.87 0.27 -0.22 0.05 -1.93 0.88 116.97 117.58 1ik0 h TYR 44 Ca 0.19 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1ik0 h TYR 44 Cb -0.08 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.38 1ik0 h TYR 44 CO -0.04 0.59 -0.13 0.00 -1.05 0.00 0.00 178.16 177.53 1ik0 h ALA 46 N -0.16 0.50 -0.73 0.00 0.00 -0.86 -2.45 119.26 115.55 1ik0 h ALA 46 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ik0 h ALA 46 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ik0 h ALA 46 CO 0.06 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.62 1ik0 h ALA 47 N 1.14 1.24 0.09 0.00 0.00 0.77 -2.83 119.26 119.67 1ik0 h ALA 47 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ik0 h ALA 47 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ik0 h ALA 47 CO -0.03 0.58 -0.05 1.25 0.00 0.00 0.00 179.25 181.00 1ik0 h LEU 48 N 1.03 -0.12 -1.00 0.00 5.85 -0.68 -2.06 115.31 118.33 1ik0 h LEU 48 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 48 Cb 0.11 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1ik0 h LEU 48 CO -0.03 -0.08 0.67 1.05 -0.34 0.00 0.00 178.44 179.70 1ik0 h GLU 49 N -0.13 1.32 -0.99 1.25 4.11 -1.38 -1.61 114.58 117.15 1ik0 h GLU 49 Ca -0.01 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1ik0 h GLU 49 Cb 0.10 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 1ik0 h GLU 49 CO 0.02 0.88 0.64 0.77 0.07 0.00 0.00 179.01 181.38 1ik0 h SER 50 N 1.36 1.15 -0.24 3.06 0.02 -1.25 -2.24 113.55 115.41 1ik0 h SER 50 Ca 0.37 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1ik0 h SER 50 Cb -0.16 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.08 1ik0 h SER 50 CO -0.08 0.85 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.11 1ik0 h LEU 51 N 1.35 0.76 -0.21 5.07 3.38 -0.65 -2.58 115.31 122.42 1ik0 h LEU 51 Ca 0.36 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ik0 h LEU 51 Cb -0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1ik0 h LEU 51 CO -0.07 1.00 0.16 -0.38 0.09 0.00 0.00 178.44 179.23 1ik0 n ILE 52 N -4.09 1.27 0.18 1.22 2.08 -0.68 0.53 119.36 119.88 1ik0 n ILE 52 Ca -0.01 0.55 0.12 0.00 0.56 0.00 0.00 62.75 63.97 1ik0 n ILE 52 Cb 0.46 -1.55 0.10 0.00 -0.75 0.00 0.00 39.64 37.90 1ik0 n ILE 52 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1ik0 h ASN 53 N 0.00 0.00 -3.54 4.38 2.35 -1.51 -3.44 115.58 113.82 1ik0 h ASN 53 Ca 0.00 -0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.13 1ik0 h ASN 53 Cb 0.32 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.57 1ik0 h ASN 53 CO 0.00 0.00 0.05 -0.69 -1.65 0.00 0.00 177.43 175.14 1ik0 s VAL 54 N -3.27 5.04 0.13 2.81 1.01 0.19 -5.06 120.40 121.24 1ik0 s VAL 54 Ca 0.04 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.10 1ik0 s VAL 54 Cb 0.07 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1ik0 s VAL 54 CO 0.72 0.07 -0.23 -0.44 0.00 0.00 0.00 175.10 175.21 1ik0 s SER 55 N 1.50 3.54 0.00 3.32 0.01 -1.26 -4.76 113.70 116.05 1ik0 s SER 55 Ca 0.23 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ik0 s SER 55 Cb -0.16 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1ik0 s SER 55 CO 0.09 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1ik0 n GLY 56 N 0.81 0.86 2.57 3.44 0.00 -1.26 -4.97 105.19 106.64 1ik0 n GLY 56 Ca -0.17 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 6.88 0.00 -0.99 0.00 0.87 -1.96 -3.13 113.55 115.22 1ik0 h SER 58 Ca 0.07 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.74 1ik0 h SER 58 Cb 1.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.88 1ik0 h SER 58 CO 0.24 0.17 0.63 0.00 -0.53 0.00 0.00 176.83 177.34 1ik0 h ALA 59 N 1.83 1.52 -0.64 6.23 0.00 -1.94 -1.98 119.26 124.28 1ik0 h ALA 59 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ik0 h ALA 59 Cb 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ik0 h ALA 59 CO 0.02 0.26 0.00 0.44 0.00 0.00 0.00 179.25 179.97 1ik0 n ILE 60 N -4.58 0.88 -0.22 0.00 -5.35 -1.18 -4.45 119.36 104.45 1ik0 n ILE 60 Ca 0.18 -0.94 -0.06 0.00 -0.27 0.00 0.00 62.75 61.66 1ik0 n ILE 60 Cb 0.32 0.62 0.04 0.00 -1.74 0.00 0.00 39.64 38.88 1ik0 n ILE 60 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1ik0 h GLU 61 N 4.22 0.84 -0.78 6.28 4.11 -1.38 -1.21 114.58 126.66 1ik0 h GLU 61 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1ik0 h GLU 61 Cb 0.98 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1ik0 h GLU 61 CO 0.00 0.56 0.33 0.87 0.07 0.00 0.00 179.01 180.83 1ik0 h LYS 62 N 0.86 1.15 -0.81 1.06 1.57 -1.78 -2.09 116.57 116.54 1ik0 h LYS 62 Ca 0.23 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1ik0 h LYS 62 Cb -0.10 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 31.97 1ik0 h LYS 62 CO -0.05 0.91 0.53 1.15 -0.57 0.00 0.00 179.45 181.42 1ik0 h THR 63 N 1.12 1.13 -0.65 -0.16 2.02 -1.53 -1.86 112.91 112.98 1ik0 h THR 63 Ca 0.26 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ik0 h THR 63 Cb 0.18 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1ik0 h THR 63 CO -0.03 0.18 0.43 1.56 0.37 0.00 0.00 175.52 178.03 1ik0 h GLN 64 N 0.99 0.85 -0.19 6.66 1.08 -0.55 -0.43 115.11 123.51 1ik0 h GLN 64 Ca 0.32 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 1ik0 h GLN 64 Cb 0.04 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1ik0 h GLN 64 CO -0.09 0.56 0.05 -0.09 -0.95 0.00 0.00 178.83 178.31 1ik0 h ARG 65 N 0.87 0.31 -0.87 1.46 2.43 -1.28 -2.21 114.38 115.09 1ik0 h ARG 65 Ca 0.24 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1ik0 h ARG 65 Cb -0.09 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1ik0 h ARG 65 CO -0.05 0.43 0.43 0.52 -1.51 0.00 0.00 179.97 179.78 1ik0 h MET 66 N 0.13 1.24 -0.94 0.20 2.86 -1.12 -1.85 114.93 115.45 1ik0 h MET 66 Ca 0.06 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ik0 h MET 66 Cb 0.26 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1ik0 h MET 66 CO 0.00 0.94 0.56 -0.07 1.06 0.00 0.00 176.91 179.40 1ik0 h LEU 67 N 1.23 1.14 -1.01 1.22 3.38 -0.95 -1.49 115.31 118.82 1ik0 h LEU 67 Ca 0.30 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ik0 h LEU 67 Cb 0.10 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1ik0 h LEU 67 CO -0.04 0.88 0.67 0.28 0.09 0.00 0.00 178.44 180.32 1ik0 h SER 68 N 1.30 1.16 -1.01 -0.43 0.02 -0.72 -0.72 113.55 113.14 1ik0 h SER 68 Ca 0.34 -0.03 0.29 0.00 -0.84 0.00 0.00 61.79 61.55 1ik0 h SER 68 Cb -0.04 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.16 1ik0 h SER 68 CO -0.06 0.84 0.72 1.23 -1.14 0.00 0.00 176.83 178.42 1ik0 h GLY 69 N 1.37 0.08 0.42 -3.77 0.00 -0.58 0.72 103.07 101.32 1ik0 h GLY 69 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ik0 h GLY 69 CO -0.08 -0.01 -1.35 0.69 0.00 0.00 0.00 176.54 175.79 1ik0 n PHE 70 N -4.26 0.30 -3.46 5.60 3.72 -0.38 -4.72 117.46 114.26 1ik0 n PHE 70 Ca 0.21 0.09 -0.27 0.00 -0.05 0.00 0.00 57.45 57.43 1ik0 n PHE 70 Cb 1.06 -0.53 -0.12 0.00 -0.94 0.00 0.00 39.48 38.95 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 4.23 0.00 -2.95 0.00 -0.02 -0.95 -4.35 135.00 130.96 1ik0 n PRO 72 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 1ik0 n PRO 72 Cb 0.39 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.77 2.84 -0.96 6.00 2.46 -1.26 -4.97 115.29 121.16 1ik0 s HIS 73 Ca 0.00 -0.44 -0.24 0.00 0.47 0.00 0.00 55.06 54.86 1ik0 s HIS 73 Cb 0.00 -4.01 0.05 0.00 -0.13 0.00 0.00 32.58 28.48 1ik0 s HIS 73 CO 0.00 -1.37 1.41 0.15 -2.47 0.00 0.00 174.74 172.45 1ik0 s LYS 74 N 3.52 3.51 -0.08 2.88 1.02 -1.26 -4.97 119.74 124.37 1ik0 s LYS 74 Ca 0.22 -0.96 -0.14 0.00 0.02 0.00 0.00 55.97 55.10 1ik0 s LYS 74 Cb -0.17 -5.11 -0.05 0.00 -0.52 0.00 0.00 37.83 31.98 1ik0 s LYS 74 CO 0.13 -2.19 0.37 0.08 -0.92 0.00 0.00 175.35 172.82 1ik0 s VAL 75 N 5.07 5.18 0.23 3.17 1.01 -1.26 -5.07 120.40 128.73 1ik0 s VAL 75 Ca 0.43 0.73 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1ik0 s VAL 75 Cb -0.02 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1ik0 s VAL 75 CO -0.05 0.48 0.24 -0.44 0.00 0.00 0.00 175.10 175.33 1ik0 s SER 76 N -0.32 5.78 0.00 3.32 0.01 -1.26 -4.95 113.70 116.29 1ik0 s SER 76 Ca 0.21 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1ik0 s SER 76 Cb -0.15 -1.56 0.08 0.00 0.21 0.00 0.00 66.02 64.60 1ik0 s SER 76 CO 0.09 -0.03 0.74 0.00 0.41 0.00 0.00 173.24 174.46 1ik0 n ALA 77 N -1.09 1.38 -0.06 1.44 0.00 -1.26 -1.36 120.51 119.55 1ik0 n ALA 77 Ca -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1ik0 n ALA 77 Cb 0.57 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.07 -0.58 3.65 0.00 0.00 -1.26 -4.94 105.19 101.00 1ik0 n GLY 78 Ca 0.01 -0.20 -0.39 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 -2.31 4.16 0.07 1.61 -0.21 -0.47 -5.06 119.66 117.45 1ik0 s GLN 79 Ca -0.08 0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.73 1ik0 s GLN 79 Cb 0.04 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.44 1ik0 s GLN 79 CO 0.50 -0.19 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.28 1ik0 s PHE 80 N 1.77 1.21 0.00 0.91 0.08 -1.26 -4.04 117.98 116.65 1ik0 s PHE 80 Ca 0.23 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1ik0 s PHE 80 Cb -0.15 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1ik0 s PHE 80 CO 0.09 0.06 0.00 0.43 -0.10 0.00 0.00 175.22 175.70 1ik0 n SER 81 N 1.27 0.12 -0.98 1.36 7.64 -1.26 -4.82 113.62 116.96 1ik0 n SER 81 Ca -0.21 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.78 1ik0 n SER 81 Cb 0.54 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.92 2.93 -0.48 6.43 2.88 -1.26 -4.23 113.62 116.96 1ik0 n SER 82 Ca 0.00 -1.92 0.04 0.00 -1.33 0.00 0.00 58.87 55.66 1ik0 n SER 82 Cb 0.44 -0.21 0.10 0.00 -0.75 0.00 0.00 64.21 63.80 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 1.15 1.37 0.20 2.46 7.99 -1.26 -3.79 117.00 125.12 1ik0 n LEU 83 Ca 0.18 -0.68 0.13 0.00 -0.01 0.00 0.00 56.01 55.63 1ik0 n LEU 83 Cb 0.53 -0.20 0.38 0.00 -0.11 0.00 0.00 43.42 44.02 1ik0 n LEU 83 CO 0.15 0.31 0.88 0.45 -1.51 0.00 0.00 177.39 177.67 1ik0 h HIS 84 N 1.33 0.00 -3.98 -1.77 3.86 -1.94 -3.45 115.15 109.21 1ik0 h HIS 84 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 1ik0 h HIS 84 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1ik0 h HIS 84 CO 0.17 0.00 0.38 0.14 0.86 0.00 0.00 177.93 179.49 1ik0 s VAL 85 N -3.31 3.94 -0.70 2.45 -7.23 -1.25 -4.95 120.40 109.36 1ik0 s VAL 85 Ca 0.06 1.43 -0.03 0.00 -1.81 0.00 0.00 61.98 61.63 1ik0 s VAL 85 Cb 0.08 -3.71 0.19 0.00 0.56 0.00 0.00 36.38 33.50 1ik0 s VAL 85 CO 0.59 -0.05 2.41 0.54 -0.31 0.00 0.00 175.10 178.28 1ik0 n ARG 86 N -0.14 2.89 -2.10 4.82 1.74 -1.26 -4.97 116.66 117.64 1ik0 n ARG 86 Ca 0.05 -3.01 -0.27 0.00 -0.77 0.00 0.00 57.85 53.85 1ik0 n ARG 86 Cb 0.51 -2.25 0.09 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.29 4.44 0.22 0.55 1.01 -1.26 -5.06 116.67 116.27 1ik0 s ASP 87 Ca 0.55 0.47 -0.09 0.00 0.71 0.00 0.00 52.55 54.19 1ik0 s ASP 87 Cb 0.38 -0.96 -0.07 0.00 1.01 0.00 0.00 42.92 43.27 1ik0 s ASP 87 CO -0.28 -1.88 0.52 -0.89 0.21 0.00 0.00 175.17 172.85 1ik0 s THR 88 N -3.43 4.97 0.49 -1.27 2.01 -1.26 -4.92 115.64 112.22 1ik0 s THR 88 Ca 0.63 0.41 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 1ik0 s THR 88 Cb -0.09 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1ik0 s THR 88 CO 0.47 -0.05 0.90 -0.54 -0.69 0.00 0.00 174.62 174.71 1ik0 s LYS 89 N -2.79 3.80 0.18 4.92 1.02 -1.26 -3.71 119.74 121.90 1ik0 s LYS 89 Ca 0.46 0.68 0.04 0.00 0.02 0.00 0.00 55.97 57.18 1ik0 s LYS 89 Cb -0.11 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1ik0 s LYS 89 CO 0.22 -0.23 -0.06 0.96 -0.92 0.00 0.00 175.35 175.32 1ik0 s ILE 90 N -2.63 1.11 0.49 2.17 -4.36 0.10 -4.84 121.20 113.24 1ik0 s ILE 90 Ca 0.54 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.65 1ik0 s ILE 90 Cb -0.10 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.50 1ik0 s ILE 90 CO 0.36 -0.58 1.32 -1.61 0.24 0.00 0.00 174.94 174.67 1ik0 s GLU 91 N -3.79 3.50 0.25 0.37 2.02 -1.26 0.46 118.70 120.25 1ik0 s GLU 91 Ca 0.21 2.16 -0.05 0.00 0.02 0.00 0.00 54.97 57.31 1ik0 s GLU 91 Cb 0.04 -2.44 0.29 0.00 0.10 0.00 0.00 34.13 32.12 1ik0 s GLU 91 CO 0.04 -0.88 1.91 0.28 0.02 0.00 0.00 175.26 176.63 1ik0 h VAL 92 N 1.86 1.20 -0.91 2.63 2.07 -1.83 -1.91 116.25 119.36 1ik0 h VAL 92 Ca -0.50 -0.44 0.17 0.00 0.82 0.00 0.00 66.70 66.75 1ik0 h VAL 92 Cb 1.27 -0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 1ik0 h VAL 92 CO 0.59 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.91 1ik0 h ALA 93 N 1.39 1.44 -0.10 1.67 0.00 -1.90 0.17 119.26 121.93 1ik0 h ALA 93 Ca 0.38 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 55.17 1ik0 h ALA 93 Cb -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ik0 h ALA 93 CO -0.11 -0.11 -0.80 1.96 0.00 0.00 0.00 179.25 180.19 1ik0 h GLN 94 N 0.64 0.62 -0.02 0.00 4.20 -1.74 -2.85 115.11 115.95 1ik0 h GLN 94 Ca 0.52 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ik0 h GLN 94 Cb 0.80 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1ik0 h GLN 94 CO -0.39 1.15 0.01 0.35 -0.67 0.00 0.00 178.83 179.28 1ik0 h PHE 95 N 0.41 0.02 -0.15 2.96 3.04 -0.23 0.82 116.94 123.82 1ik0 h PHE 95 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1ik0 h PHE 95 Cb 1.41 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 1ik0 h PHE 95 CO 0.07 0.02 0.10 0.28 -2.02 0.00 0.00 178.31 176.76 1ik0 h VAL 96 N 0.03 1.04 -0.46 1.41 2.07 -0.82 -1.34 116.25 118.17 1ik0 h VAL 96 Ca 0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1ik0 h VAL 96 Cb -0.00 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ik0 h VAL 96 CO -0.00 0.04 0.23 0.11 0.02 0.00 0.00 177.57 177.97 1ik0 h LYS 97 N 0.20 0.66 -0.89 1.57 1.57 -1.32 -0.43 116.57 117.94 1ik0 h LYS 97 Ca 0.06 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ik0 h LYS 97 Cb -0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1ik0 h LYS 97 CO -0.01 0.55 0.59 -0.44 -0.57 0.00 0.00 179.45 179.57 1ik0 h ASP 98 N 0.60 1.02 -0.49 0.86 3.32 -0.61 -1.48 116.42 119.65 1ik0 h ASP 98 Ca 0.16 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1ik0 h ASP 98 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1ik0 h ASP 98 CO -0.02 0.74 0.09 0.25 -1.72 0.00 0.00 179.24 178.57 1ik0 h LEU 99 N 1.20 0.81 -0.55 1.55 5.85 -0.84 -2.97 115.31 120.36 1ik0 h LEU 99 Ca 0.32 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1ik0 h LEU 99 Cb -0.14 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.62 1ik0 h LEU 99 CO -0.07 0.82 0.26 0.25 -0.34 0.00 0.00 178.44 179.36 1ik0 h LEU 100 N 0.82 0.35 -1.00 2.25 5.85 -0.00 -0.59 115.31 122.98 1ik0 h LEU 100 Ca 0.17 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1ik0 h LEU 100 Cb 0.36 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1ik0 h LEU 100 CO 0.01 0.23 0.66 -0.07 -0.34 0.00 0.00 178.44 178.93 1ik0 h LEU 101 N 0.49 1.15 -0.43 2.25 -0.00 -1.34 -2.44 115.31 114.99 1ik0 h LEU 101 Ca 0.25 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 57.94 1ik0 h LEU 101 Cb 0.21 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1ik0 h LEU 101 CO -0.20 0.83 -0.43 0.45 -0.00 0.00 0.00 178.44 179.09 1ik0 h HIS 102 N 1.36 1.02 -0.17 1.13 3.86 -1.37 -2.70 115.15 118.28 1ik0 h HIS 102 Ca 0.37 -0.32 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1ik0 h HIS 102 Cb -0.16 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1ik0 h HIS 102 CO -0.00 1.12 0.08 -0.07 0.86 0.00 0.00 177.93 179.92 1ik0 h LEU 103 N 0.68 0.12 -1.56 2.43 3.38 -0.67 -1.54 115.31 118.15 1ik0 h LEU 103 Ca 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ik0 h LEU 103 Cb 1.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ik0 h LEU 103 CO 0.10 0.09 -0.16 0.07 0.09 0.00 0.00 178.44 178.63 1ik0 h LYS 104 N 0.18 0.00 -0.19 1.13 2.10 -1.53 -3.14 116.57 115.11 1ik0 h LYS 104 Ca 0.07 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1ik0 h LYS 104 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1ik0 h LYS 104 CO -0.05 0.16 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.31 1ik0 h LYS 105 N 0.00 0.36 -0.01 0.07 3.64 -0.94 -2.91 116.57 116.78 1ik0 h LYS 105 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ik0 h LYS 105 Cb 0.52 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1ik0 h LYS 105 CO 0.02 0.60 0.00 -0.07 -2.27 0.00 0.00 179.45 177.73 1ik0 h LEU 106 N 0.09 0.01 -1.25 5.20 -0.00 -1.43 -1.61 115.31 116.32 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 0.46 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.08 1ik0 h LEU 106 CO 0.02 0.01 0.50 0.15 -0.00 0.00 0.00 178.44 179.12 1ik0 h PHE 107 N 0.01 0.96 -1.01 1.13 3.57 -1.58 -0.62 116.94 119.41 1ik0 h PHE 107 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ik0 h PHE 107 Cb 0.00 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 1ik0 h PHE 107 CO 0.00 0.61 0.67 0.00 -2.23 0.00 0.00 178.31 177.36 1ik0 h ARG 108 N 1.03 1.33 0.00 1.11 3.08 -1.31 -1.63 114.38 117.99 1ik0 h ARG 108 Ca 0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1ik0 h ARG 108 Cb -0.12 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 29.63 1ik0 h ARG 108 CO -0.06 0.88 -0.33 0.39 -1.07 0.00 0.00 179.97 179.78 1ik0 n GLU 109 N -4.38 0.02 -1.15 0.04 4.71 -0.85 -4.91 120.64 114.13 1ik0 n GLU 109 Ca 0.12 0.01 -0.05 0.00 -0.01 0.00 0.00 57.16 57.23 1ik0 n GLU 109 Cb 0.01 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 28.90 1ik0 n GLU 109 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ik0 n GLY 110 N 1.49 0.60 3.37 0.62 0.00 -0.30 -4.92 105.19 106.06 1ik0 n GLY 110 Ca 0.06 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.06 3.04 -0.08 1.61 0.52 -1.20 -5.03 118.95 115.76 1ik0 s ARG 111 Ca 0.00 -1.32 -0.14 0.00 -0.52 0.00 0.00 55.73 53.75 1ik0 s ARG 111 Cb 0.00 -4.27 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1ik0 s ARG 111 CO 0.00 -1.54 0.35 -0.06 0.02 0.00 0.00 175.30 174.07 1ik0 s PHE 112 N 2.69 3.61 0.00 -0.53 0.08 -1.26 -4.84 117.98 117.73 1ik0 s PHE 112 Ca 0.12 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.98 1ik0 s PHE 112 Cb -0.24 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1ik0 s PHE 112 CO 0.06 0.48 0.00 0.09 -0.10 0.00 0.00 175.22 175.75