#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 0.48 3.03 0.00 -1.26 -4.95 107.32 106.27 1ik0 s GLY 2 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.55 1ik0 s GLY 2 CO 0.00 0.45 0.60 -1.05 0.00 0.00 0.00 173.10 173.09 1ik0 n PRO 3 N -3.56 0.65 -2.90 2.90 -0.02 -1.26 -4.94 135.00 125.87 1ik0 n PRO 3 Ca 0.08 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 1ik0 n PRO 3 Cb 0.54 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1ik0 n PRO 3 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ik0 s VAL 4 N -1.54 4.38 1.09 -1.45 -7.23 -1.26 -5.03 120.40 109.35 1ik0 s VAL 4 Ca 0.65 1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 62.19 1ik0 s VAL 4 Cb -0.54 -3.86 0.08 0.00 0.56 0.00 0.00 36.38 32.62 1ik0 s VAL 4 CO 0.56 0.05 -0.06 -2.65 -0.31 0.00 0.00 175.10 172.70 1ik0 n PRO 5 N 0.31 -1.33 0.14 4.82 -0.02 -1.26 -4.68 135.00 132.98 1ik0 n PRO 5 Ca 0.02 -0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.00 1ik0 n PRO 5 Cb 0.51 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.93 -0.38 -0.83 0.52 0.13 -1.99 -2.09 132.00 125.43 1ik0 h PRO 6 Ca -0.51 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1ik0 h PRO 6 Cb 1.35 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.53 1ik0 h PRO 6 CO 0.37 -0.04 0.44 0.66 -0.23 0.00 0.00 178.00 179.19 1ik0 h SER 7 N -0.79 1.04 -0.54 1.44 4.64 -1.98 -2.16 113.55 115.21 1ik0 h SER 7 Ca -0.04 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1ik0 h SER 7 Cb 0.51 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1ik0 h SER 7 CO 0.07 0.85 -0.09 0.74 -0.87 0.00 0.00 176.83 177.53 1ik0 h THR 8 N 1.16 1.27 -0.49 2.95 2.02 -1.92 -2.05 112.91 115.86 1ik0 h THR 8 Ca 0.29 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1ik0 h THR 8 Cb 0.05 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1ik0 h THR 8 CO -0.04 0.44 0.24 0.00 0.37 0.00 0.00 175.52 176.53 1ik0 h ALA 9 N 0.93 0.63 -0.48 6.16 0.00 -1.01 -0.59 119.26 124.90 1ik0 h ALA 9 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ik0 h ALA 9 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ik0 h ALA 9 CO 0.05 0.18 0.24 1.25 0.00 0.00 0.00 179.25 180.97 1ik0 h LEU 10 N 0.65 0.61 -0.60 0.00 5.85 -1.26 0.17 115.31 120.73 1ik0 h LEU 10 Ca 0.17 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ik0 h LEU 10 Cb 0.10 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1ik0 h LEU 10 CO -0.02 0.55 0.40 0.03 -0.34 0.00 0.00 178.44 179.06 1ik0 h ARG 11 N 0.63 0.79 -0.69 1.25 3.08 -1.05 0.20 114.38 118.58 1ik0 h ARG 11 Ca 0.17 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1ik0 h ARG 11 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1ik0 h ARG 11 CO -0.02 0.52 0.13 0.93 -1.07 0.00 0.00 179.97 180.46 1ik0 h GLU 12 N 0.81 1.14 -0.12 0.04 5.08 -0.65 -2.15 114.58 118.73 1ik0 h GLU 12 Ca 0.22 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1ik0 h GLU 12 Cb -0.09 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1ik0 h GLU 12 CO -0.05 1.02 -0.19 1.25 -1.00 0.00 0.00 179.01 180.04 1ik0 h LEU 13 N 1.07 0.38 -0.19 1.33 5.85 -0.08 -2.56 115.31 121.11 1ik0 h LEU 13 Ca 0.21 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1ik0 h LEU 13 Cb 0.42 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ik0 h LEU 13 CO 0.01 0.84 0.12 0.40 -0.34 0.00 0.00 178.44 179.47 1ik0 h ILE 14 N -0.06 1.04 -1.01 4.05 2.04 -0.58 -0.31 117.51 122.68 1ik0 h ILE 14 Ca 0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ik0 h ILE 14 Cb 0.76 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1ik0 h ILE 14 CO 0.04 0.05 0.67 -0.33 0.00 0.00 0.00 178.15 178.58 1ik0 h GLU 15 N 0.25 1.32 -0.33 2.37 5.08 -1.43 -1.40 114.58 120.44 1ik0 h GLU 15 Ca 0.07 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1ik0 h GLU 15 Cb -0.03 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.92 1ik0 h GLU 15 CO -0.02 0.88 -0.38 1.49 -1.00 0.00 0.00 179.01 179.98 1ik0 h GLU 16 N 1.36 0.84 -0.47 2.33 4.81 -1.08 -1.91 114.58 120.46 1ik0 h GLU 16 Ca 0.37 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ik0 h GLU 16 Cb -0.16 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1ik0 h GLU 16 CO -0.08 1.10 0.30 -0.07 -0.73 0.00 0.00 179.01 179.53 1ik0 h LEU 17 N 0.62 0.54 -0.50 1.64 3.38 -0.64 -2.38 115.31 117.98 1ik0 h LEU 17 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ik0 h LEU 17 Cb 0.97 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1ik0 h LEU 17 CO 0.09 0.40 0.07 0.58 0.09 0.00 0.00 178.44 179.67 1ik0 h VAL 18 N 0.63 1.25 -0.95 1.22 2.07 -1.22 -2.84 116.25 116.42 1ik0 h VAL 18 Ca 0.17 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1ik0 h VAL 18 Cb -0.06 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1ik0 h VAL 18 CO -0.04 0.34 0.63 -1.13 0.02 0.00 0.00 177.57 177.39 1ik0 h ASN 19 N 0.71 1.08 1.41 0.57 -1.24 -1.06 0.02 115.58 117.08 1ik0 h ASN 19 Ca 0.15 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1ik0 h ASN 19 Cb 0.42 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1ik0 h ASN 19 CO 0.01 0.78 0.00 0.16 -1.29 0.00 0.00 177.43 177.09 1ik0 h ILE 20 N 1.28 0.00 0.00 2.57 3.07 -1.34 -3.25 117.51 119.84 1ik0 h ILE 20 Ca 0.35 -0.60 -0.14 0.00 1.55 0.00 0.00 64.86 66.01 1ik0 h ILE 20 Cb -0.14 1.55 -0.03 0.00 -0.27 0.00 0.00 36.82 37.94 1ik0 h ILE 20 CO -0.08 0.00 -2.10 0.35 -1.05 0.00 0.00 178.15 175.28 1ik0 n THR 21 N -2.69 0.58 -0.02 0.16 -2.24 -0.83 -3.85 114.28 105.39 1ik0 n THR 21 Ca 0.03 -0.64 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 1ik0 n THR 21 Cb 0.40 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.75 -0.62 -0.78 4.20 -1.06 -3.15 115.11 114.45 1ik0 h GLN 22 Ca -0.21 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 57.92 1ik0 h GLN 22 Cb 1.49 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1ik0 h GLN 22 CO 0.01 1.20 0.00 0.09 -0.67 0.00 0.00 178.83 179.46 1ik0 n ASN 23 N -3.93 3.80 -4.62 1.46 3.02 -1.23 -4.88 115.26 108.87 1ik0 n ASN 23 Ca -0.06 -2.33 -0.43 0.00 -0.03 0.00 0.00 54.58 51.73 1ik0 n ASN 23 Cb 0.72 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.74 3.96 0.00 3.52 -2.07 -1.19 -4.93 119.66 117.20 1ik0 s GLN 24 Ca 0.40 0.78 0.00 0.00 -1.82 0.00 0.00 55.36 54.72 1ik0 s GLN 24 Cb 0.26 -3.76 0.00 0.00 -1.09 0.00 0.00 33.01 28.42 1ik0 s GLN 24 CO 0.20 -0.86 0.00 1.17 -1.32 0.00 0.00 175.29 174.48 1ik0 n LYS 25 N 6.67 0.00 -2.43 9.60 4.81 -1.26 -4.88 118.16 130.67 1ik0 n LYS 25 Ca 0.08 0.43 -0.30 0.00 -0.87 0.00 0.00 58.31 57.65 1ik0 n LYS 25 Cb 0.48 -0.92 -0.01 0.00 0.02 0.00 0.00 35.03 34.60 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 -3.10 3.26 1.00 3.14 0.00 -1.26 -5.01 121.76 119.79 1ik0 s ALA 26 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 1ik0 s ALA 26 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1ik0 s ALA 26 CO 0.00 -0.37 -0.43 -2.30 0.00 0.00 0.00 175.76 172.67 1ik0 n PRO 27 N -2.12 -0.35 0.12 0.00 -0.02 -1.26 -4.78 135.00 126.59 1ik0 n PRO 27 Ca 0.03 -0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1ik0 n PRO 27 Cb 0.54 -1.38 0.47 0.00 -0.02 0.00 0.00 33.50 33.12 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 1.17 0.58 0.00 2.45 4.77 -1.26 -4.81 117.00 119.90 1ik0 n LEU 28 Ca 0.01 0.66 -0.07 0.00 -0.03 0.00 0.00 56.01 56.58 1ik0 n LEU 28 Cb 0.60 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1ik0 n LEU 28 CO 0.50 -0.57 0.05 0.00 -1.33 0.00 0.00 177.39 176.04 1ik0 n ASN 30 N -2.04 1.91 -0.68 0.00 3.02 -1.26 -4.27 115.26 111.93 1ik0 n ASN 30 Ca 0.01 -1.63 -0.07 0.00 -0.03 0.00 0.00 54.58 52.86 1ik0 n ASN 30 Cb 0.26 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ik0 n GLY 31 N 2.19 0.38 3.78 7.41 0.00 -1.26 -4.96 105.19 112.72 1ik0 n GLY 31 Ca 0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.78 6.29 0.24 1.61 0.01 -1.26 -4.88 113.70 112.95 1ik0 s SER 32 Ca 0.00 3.07 0.09 0.00 1.31 0.00 0.00 55.95 60.42 1ik0 s SER 32 Cb 0.00 -2.67 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1ik0 s SER 32 CO 0.00 -0.91 0.00 -0.04 0.41 0.00 0.00 173.24 172.70 1ik0 s MET 33 N -2.13 2.34 0.18 12.44 -1.94 -1.26 -2.46 119.30 126.47 1ik0 s MET 33 Ca 0.53 -1.33 0.05 0.00 -1.71 0.00 0.00 55.69 53.23 1ik0 s MET 33 Cb -0.47 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 1ik0 s MET 33 CO 0.64 0.39 -0.08 0.14 -0.01 0.00 0.00 175.02 176.10 1ik0 s VAL 34 N -2.17 1.21 0.18 -6.03 -7.23 0.11 -4.85 120.40 101.62 1ik0 s VAL 34 Ca 0.30 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1ik0 s VAL 34 Cb -0.07 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 1ik0 s VAL 34 CO 0.20 -0.59 1.17 0.26 -0.31 0.00 0.00 175.10 175.83 1ik0 s TRP 35 N -3.30 3.48 0.51 2.82 0.52 -1.26 0.02 118.94 121.72 1ik0 s TRP 35 Ca 0.21 1.48 -0.21 0.00 0.02 0.00 0.00 56.10 57.60 1ik0 s TRP 35 Cb 0.03 -3.38 -0.07 0.00 -1.15 0.00 0.00 33.47 28.90 1ik0 s TRP 35 CO 0.04 -1.02 1.14 0.45 0.02 0.00 0.00 176.95 177.58 1ik0 s SER 36 N 0.08 5.94 0.16 2.95 0.15 -1.15 -4.86 113.70 116.97 1ik0 s SER 36 Ca 0.52 2.22 0.02 0.00 0.70 0.00 0.00 55.95 59.41 1ik0 s SER 36 Cb -0.32 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.36 1ik0 s SER 36 CO 0.36 -1.07 -0.02 0.27 1.20 0.00 0.00 173.24 173.98 1ik0 s ILE 37 N -1.69 0.79 -0.12 6.45 -4.36 -1.26 -4.90 121.20 116.10 1ik0 s ILE 37 Ca 0.69 -1.99 -0.24 0.00 -0.26 0.00 0.00 60.65 58.85 1ik0 s ILE 37 Cb -0.25 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1ik0 s ILE 37 CO 0.30 -0.56 0.74 0.20 0.24 0.00 0.00 174.94 175.85 1ik0 s ASN 38 N -3.16 6.93 -0.40 4.36 0.01 -1.26 -5.01 114.94 116.41 1ik0 s ASN 38 Ca 0.21 1.12 -0.27 0.00 -0.71 0.00 0.00 52.86 53.22 1ik0 s ASN 38 Cb 0.05 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1ik0 s ASN 38 CO 0.03 -0.24 0.99 -0.76 -1.51 0.00 0.00 177.10 175.60 1ik0 s LEU 39 N 1.46 3.92 0.00 0.60 2.01 -1.26 -4.76 118.68 120.65 1ik0 s LEU 39 Ca 0.36 0.55 0.00 0.00 0.01 0.00 0.00 54.13 55.05 1ik0 s LEU 39 Cb -0.17 -3.35 0.00 0.00 0.01 0.00 0.00 46.19 42.68 1ik0 s LEU 39 CO 0.15 -0.97 0.00 0.35 1.01 0.00 0.00 176.35 176.89 1ik0 n THR 40 N 6.21 0.00 -0.11 5.49 -2.24 -1.26 -5.03 114.28 117.35 1ik0 n THR 40 Ca 0.09 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1ik0 n THR 40 Cb 0.48 0.00 -0.13 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 1.51 0.34 6.98 0.00 -1.26 -4.31 120.51 120.77 1ik0 n ALA 41 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 53.44 52.23 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 2.07 2.69 0.05 0.00 0.00 -1.26 -4.38 105.19 104.35 1ik0 n GLY 42 Ca -0.36 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 0.35 -0.02 -0.16 1.61 0.00 -1.86 0.68 114.93 115.53 1ik0 h MET 43 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.85 1ik0 h MET 43 Cb 1.41 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 33.01 1ik0 h MET 43 CO 0.29 -0.01 0.06 1.88 0.00 0.00 0.00 176.91 179.12 1ik0 h TYR 44 N -0.02 0.25 0.39 -0.22 0.05 -1.92 0.76 116.97 116.26 1ik0 h TYR 44 Ca -0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1ik0 h TYR 44 Cb 0.01 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1ik0 h TYR 44 CO -0.08 0.34 -0.19 0.00 -1.05 0.00 0.00 178.16 177.18 1ik0 h ALA 46 N -0.23 0.47 -0.95 0.00 0.00 0.39 -2.62 119.26 116.33 1ik0 h ALA 46 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ik0 h ALA 46 Cb 0.51 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ik0 h ALA 46 CO 0.09 -0.04 0.58 0.00 0.00 0.00 0.00 179.25 179.88 1ik0 h ALA 47 N 1.10 1.25 0.00 0.00 0.00 0.56 -2.77 119.26 119.40 1ik0 h ALA 47 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ik0 h ALA 47 Cb -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ik0 h ALA 47 CO -0.03 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.13 1ik0 h LEU 48 N 1.30 -0.00 -1.31 0.00 5.85 -0.75 -2.56 115.31 117.84 1ik0 h LEU 48 Ca 0.34 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1ik0 h LEU 48 Cb -0.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ik0 h LEU 48 CO -0.07 -0.00 0.46 1.05 -0.34 0.00 0.00 178.44 179.55 1ik0 h GLU 49 N -0.00 0.92 -0.93 1.25 4.11 -1.32 -1.83 114.58 116.77 1ik0 h GLU 49 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1ik0 h GLU 49 Cb 0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1ik0 h GLU 49 CO -0.00 0.61 0.55 0.77 0.07 0.00 0.00 179.01 181.01 1ik0 h SER 50 N 0.95 1.13 -0.43 3.06 0.02 -1.20 -2.54 113.55 114.54 1ik0 h SER 50 Ca 0.26 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.99 1ik0 h SER 50 Cb -0.11 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1ik0 h SER 50 CO -0.06 0.88 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.17 1ik0 h LEU 51 N 1.29 0.99 -0.45 5.07 3.38 -0.98 -2.69 115.31 121.92 1ik0 h LEU 51 Ca 0.33 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ik0 h LEU 51 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1ik0 h LEU 51 CO -0.06 1.19 0.25 -0.38 0.09 0.00 0.00 178.44 179.53 1ik0 n ILE 52 N -4.09 0.89 0.26 1.22 2.08 -0.78 0.14 119.36 119.08 1ik0 n ILE 52 Ca -0.01 0.63 0.12 0.00 0.56 0.00 0.00 62.75 64.05 1ik0 n ILE 52 Cb 0.48 -1.63 0.12 0.00 -0.75 0.00 0.00 39.64 37.87 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 -3.48 4.38 4.21 -1.52 -3.44 115.58 115.73 1ik0 h ASN 53 Ca 0.00 -0.03 -0.61 0.00 1.21 0.00 0.00 56.30 56.88 1ik0 h ASN 53 Cb 0.50 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.59 1ik0 h ASN 53 CO 0.00 0.01 0.11 -0.69 -1.29 0.00 0.00 177.43 175.57 1ik0 s VAL 54 N -3.26 5.01 0.05 2.81 1.01 0.37 -5.05 120.40 121.35 1ik0 s VAL 54 Ca 0.04 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1ik0 s VAL 54 Cb 0.09 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ik0 s VAL 54 CO 0.72 0.07 -0.24 -0.44 0.00 0.00 0.00 175.10 175.21 1ik0 s SER 55 N 1.40 2.84 0.00 3.32 0.01 -1.26 -4.77 113.70 115.24 1ik0 s SER 55 Ca 0.26 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1ik0 s SER 55 Cb -0.16 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1ik0 s SER 55 CO 0.09 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1ik0 n GLY 56 N 1.74 0.92 2.79 3.44 0.00 -1.26 -5.04 105.19 107.78 1ik0 n GLY 56 Ca -0.17 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 7.46 0.92 -1.26 0.00 0.87 -1.97 -2.94 113.55 116.62 1ik0 h SER 58 Ca -0.01 -0.25 0.37 0.00 -1.23 0.00 0.00 61.79 60.67 1ik0 h SER 58 Cb 1.07 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.70 1ik0 h SER 58 CO 0.24 0.98 0.86 0.00 -0.53 0.00 0.00 176.83 178.38 1ik0 h ALA 59 N 1.11 2.83 -0.00 6.23 0.00 -1.94 0.21 119.26 127.70 1ik0 h ALA 59 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ik0 h ALA 59 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ik0 h ALA 59 CO 0.03 -1.28 -0.92 0.44 0.00 0.00 0.00 179.25 177.51 1ik0 n ILE 60 N -4.42 0.00 -0.33 0.00 -5.35 -1.12 -4.36 119.36 103.78 1ik0 n ILE 60 Ca 0.30 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.72 1ik0 n ILE 60 Cb 1.26 1.02 0.09 0.00 -1.74 0.00 0.00 39.64 40.27 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 0.33 1.16 -0.75 6.28 5.08 -0.50 -1.25 114.58 124.93 1ik0 h GLU 61 Ca 0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ik0 h GLU 61 Cb 0.53 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1ik0 h GLU 61 CO 0.00 0.77 0.25 0.87 -1.00 0.00 0.00 179.01 179.91 1ik0 h LYS 62 N 1.20 1.15 -0.95 2.33 1.57 -1.76 -2.56 116.57 117.55 1ik0 h LYS 62 Ca 0.33 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1ik0 h LYS 62 Cb -0.13 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 31.96 1ik0 h LYS 62 CO -0.07 0.97 0.63 1.15 -0.57 0.00 0.00 179.45 181.56 1ik0 h THR 63 N 1.11 1.25 -0.87 -0.16 2.02 -1.52 -1.92 112.91 112.82 1ik0 h THR 63 Ca 0.24 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ik0 h THR 63 Cb 0.28 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.49 1ik0 h THR 63 CO -0.01 0.24 0.55 1.56 0.37 0.00 0.00 175.52 178.23 1ik0 h GLN 64 N 1.29 1.15 -0.01 6.66 4.20 -0.86 0.28 115.11 127.82 1ik0 h GLN 64 Ca 0.35 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ik0 h GLN 64 Cb -0.14 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.38 1ik0 h GLN 64 CO -0.07 0.78 0.01 -0.09 -0.67 0.00 0.00 178.83 178.78 1ik0 h ARG 65 N 1.18 0.02 -0.80 1.46 9.65 -1.15 -1.00 114.38 123.74 1ik0 h ARG 65 Ca 0.31 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.16 1ik0 h ARG 65 Cb -0.10 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 1ik0 h ARG 65 CO -0.06 0.11 0.38 0.52 2.80 0.00 0.00 179.97 183.72 1ik0 h MET 66 N -0.08 1.16 -0.88 0.20 2.86 -1.01 -2.11 114.93 115.07 1ik0 h MET 66 Ca 0.00 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1ik0 h MET 66 Cb 0.10 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1ik0 h MET 66 CO -0.00 0.90 0.46 -0.07 1.06 0.00 0.00 176.91 179.26 1ik0 h LEU 67 N 1.14 1.12 -1.01 1.22 3.38 -0.73 -1.99 115.31 118.45 1ik0 h LEU 67 Ca 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ik0 h LEU 67 Cb 0.13 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ik0 h LEU 67 CO -0.03 0.92 0.66 0.28 0.09 0.00 0.00 178.44 180.35 1ik0 h SER 68 N 1.24 1.16 -0.61 -0.43 0.02 -0.58 -0.45 113.55 113.90 1ik0 h SER 68 Ca 0.31 -0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.40 1ik0 h SER 68 Cb 0.07 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1ik0 h SER 68 CO -0.04 0.84 0.64 1.23 -1.14 0.00 0.00 176.83 178.36 1ik0 h GLY 69 N 1.36 0.00 0.55 -3.77 0.00 -0.72 0.67 103.07 101.15 1ik0 h GLY 69 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ik0 h GLY 69 CO -0.08 0.00 -1.31 0.69 0.00 0.00 0.00 176.54 175.84 1ik0 n PHE 70 N -3.66 0.43 -3.50 5.60 3.72 -0.20 -4.76 117.46 115.09 1ik0 n PHE 70 Ca 0.12 0.13 -0.27 0.00 -0.05 0.00 0.00 57.45 57.38 1ik0 n PHE 70 Cb 0.86 -0.63 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 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 4.98 0.00 -3.01 0.00 -0.02 -1.20 -4.58 135.00 131.17 1ik0 n PRO 72 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 1ik0 n PRO 72 Cb 0.42 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.66 2.98 -0.84 6.00 2.46 -1.26 -4.99 115.29 121.30 1ik0 s HIS 73 Ca 0.00 -0.06 -0.24 0.00 0.47 0.00 0.00 55.06 55.23 1ik0 s HIS 73 Cb 0.00 -3.64 0.05 0.00 -0.13 0.00 0.00 32.58 28.86 1ik0 s HIS 73 CO 0.00 -1.04 1.28 0.15 -2.47 0.00 0.00 174.74 172.66 1ik0 s LYS 74 N 3.18 3.35 -0.10 2.88 1.02 -1.26 -4.98 119.74 123.83 1ik0 s LYS 74 Ca 0.25 -0.73 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 1ik0 s LYS 74 Cb -0.14 -4.64 -0.05 0.00 -0.52 0.00 0.00 37.83 32.48 1ik0 s LYS 74 CO 0.19 -2.10 0.33 0.08 -0.92 0.00 0.00 175.35 172.94 1ik0 s VAL 75 N 5.03 5.23 0.19 3.17 1.01 -1.26 -5.08 120.40 128.69 1ik0 s VAL 75 Ca 0.37 0.65 0.05 0.00 0.00 0.00 0.00 61.98 63.05 1ik0 s VAL 75 Cb -0.06 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ik0 s VAL 75 CO 0.04 0.47 0.21 -0.94 0.00 0.00 0.00 175.10 174.89 1ik0 s SER 76 N -0.22 5.80 0.00 3.32 1.04 -1.26 -4.96 113.70 117.43 1ik0 s SER 76 Ca 0.20 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1ik0 s SER 76 Cb -0.14 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.41 1ik0 s SER 76 CO 0.08 0.02 0.89 0.00 0.98 0.00 0.00 173.24 175.21 1ik0 n ALA 77 N -0.75 1.14 -0.11 5.32 0.00 -1.26 -2.05 120.51 122.79 1ik0 n ALA 77 Ca -0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1ik0 n ALA 77 Cb 0.56 -1.01 -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 -1.35 -0.31 3.72 0.00 0.00 -1.26 -4.94 105.19 101.06 1ik0 n GLY 78 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.44 4.41 0.11 1.61 -1.52 -0.87 -5.06 119.66 115.89 1ik0 s GLN 79 Ca -0.30 0.81 0.06 0.00 -1.95 0.00 0.00 55.36 53.98 1ik0 s GLN 79 Cb 0.08 -3.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 1ik0 s GLN 79 CO 0.51 0.12 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.47 1ik0 s PHE 80 N 0.63 1.35 0.00 0.91 0.08 -1.26 -4.03 117.98 115.65 1ik0 s PHE 80 Ca 0.35 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1ik0 s PHE 80 Cb -0.18 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1ik0 s PHE 80 CO 0.17 0.11 0.00 0.43 -0.10 0.00 0.00 175.22 175.84 1ik0 n SER 81 N 0.76 2.65 -0.87 1.36 7.64 -1.26 -4.81 113.62 119.08 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 0.56 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.58 2.81 -1.11 6.43 2.88 -1.26 -4.36 113.62 116.43 1ik0 n SER 82 Ca 0.00 -1.91 -0.00 0.00 -1.33 0.00 0.00 58.87 55.63 1ik0 n SER 82 Cb 0.47 0.03 0.13 0.00 -0.75 0.00 0.00 64.21 64.08 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 1.18 3.11 -0.03 2.46 4.32 -1.26 -4.08 117.00 122.69 1ik0 n LEU 83 Ca 0.13 -1.58 -0.15 0.00 -0.02 0.00 0.00 56.01 54.38 1ik0 n LEU 83 Cb 0.55 -0.58 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 1ik0 n LEU 83 CO 0.15 0.46 0.35 0.45 -1.22 0.00 0.00 177.39 177.58 1ik0 h HIS 84 N 1.18 0.99 -3.99 -1.77 3.86 -1.94 -3.44 115.15 110.04 1ik0 h HIS 84 Ca 0.05 -0.40 -0.48 0.00 -1.16 0.00 0.00 60.37 58.38 1ik0 h HIS 84 Cb 1.19 -0.17 0.03 0.00 1.06 0.00 0.00 27.41 29.52 1ik0 h HIS 84 CO 0.44 1.22 0.42 0.08 0.86 0.00 0.00 177.93 180.94 1ik0 s VAL 85 N -3.88 3.64 -1.27 2.45 1.01 -1.26 -4.94 120.40 116.15 1ik0 s VAL 85 Ca -0.10 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1ik0 s VAL 85 Cb 0.10 -3.59 0.17 0.00 0.00 0.00 0.00 36.38 33.06 1ik0 s VAL 85 CO 0.89 -0.05 1.89 0.54 0.00 0.00 0.00 175.10 178.36 1ik0 n ARG 86 N -0.34 3.72 -2.29 2.72 1.74 -1.26 -4.98 116.66 115.98 1ik0 n ARG 86 Ca 0.06 -3.58 -0.26 0.00 -0.77 0.00 0.00 57.85 53.31 1ik0 n ARG 86 Cb 0.50 -2.89 0.10 0.00 -1.02 0.00 0.00 32.46 29.15 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 0.67 4.44 0.39 0.55 1.01 -1.26 -5.08 116.67 117.38 1ik0 s ASP 87 Ca 0.40 0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.82 1ik0 s ASP 87 Cb 0.10 -0.68 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 1ik0 s ASP 87 CO 0.01 -1.82 0.62 0.42 0.21 0.00 0.00 175.17 174.60 1ik0 s THR 88 N -3.29 5.04 0.41 -1.27 -4.23 -1.26 -4.87 115.64 106.17 1ik0 s THR 88 Ca 0.64 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1ik0 s THR 88 Cb -0.08 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.84 1ik0 s THR 88 CO 0.45 -0.64 0.79 -0.54 -0.54 0.00 0.00 174.62 174.15 1ik0 s LYS 89 N -4.40 3.82 0.15 3.99 1.02 -1.26 -2.93 119.74 120.13 1ik0 s LYS 89 Ca 0.43 0.54 0.05 0.00 0.02 0.00 0.00 55.97 57.00 1ik0 s LYS 89 Cb -0.10 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1ik0 s LYS 89 CO 0.38 -0.05 -0.10 0.96 -0.92 0.00 0.00 175.35 175.62 1ik0 s ILE 90 N -2.37 1.21 0.40 2.17 -4.36 0.10 -4.87 121.20 113.49 1ik0 s ILE 90 Ca 0.52 -2.07 -0.26 0.00 -0.26 0.00 0.00 60.65 58.58 1ik0 s ILE 90 Cb -0.10 -1.87 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 1ik0 s ILE 90 CO 0.30 -0.73 1.34 -1.61 0.24 0.00 0.00 174.94 174.48 1ik0 s GLU 91 N -3.74 3.97 0.20 0.37 2.02 -1.26 0.10 118.70 120.36 1ik0 s GLU 91 Ca 0.17 2.24 -0.10 0.00 0.02 0.00 0.00 54.97 57.30 1ik0 s GLU 91 Cb 0.02 -2.79 0.18 0.00 0.10 0.00 0.00 34.13 31.65 1ik0 s GLU 91 CO 0.01 -0.52 1.84 0.28 0.02 0.00 0.00 175.26 176.89 1ik0 h VAL 92 N 2.53 1.08 -1.01 2.63 2.07 -1.81 0.99 116.25 122.74 1ik0 h VAL 92 Ca -0.50 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 66.88 1ik0 h VAL 92 Cb 1.25 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 1ik0 h VAL 92 CO 0.63 0.15 0.63 0.00 0.02 0.00 0.00 177.57 178.99 1ik0 h ALA 93 N 1.29 1.56 -0.01 1.67 0.00 -1.91 0.91 119.26 122.77 1ik0 h ALA 93 Ca 0.27 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1ik0 h ALA 93 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ik0 h ALA 93 CO -0.11 0.16 -0.86 1.96 0.00 0.00 0.00 179.25 180.41 1ik0 h GLN 94 N 0.95 0.23 -0.34 0.00 1.08 -1.60 -2.90 115.11 112.52 1ik0 h GLN 94 Ca 0.52 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1ik0 h GLN 94 Cb 0.59 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1ik0 h GLN 94 CO -0.29 0.95 0.23 0.35 -0.95 0.00 0.00 178.83 179.11 1ik0 h PHE 95 N 0.13 0.43 -0.34 2.96 3.04 0.15 -0.10 116.94 123.21 1ik0 h PHE 95 Ca -0.04 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1ik0 h PHE 95 Cb 1.47 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.82 1ik0 h PHE 95 CO 0.03 0.27 0.14 0.28 -2.02 0.00 0.00 178.31 177.01 1ik0 h VAL 96 N 0.46 1.18 -0.43 1.41 2.07 -1.18 -1.06 116.25 118.70 1ik0 h VAL 96 Ca 0.13 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ik0 h VAL 96 Cb -0.05 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ik0 h VAL 96 CO -0.03 0.20 0.26 0.11 0.02 0.00 0.00 177.57 178.13 1ik0 h LYS 97 N 0.41 0.59 -1.00 1.57 1.57 -1.27 0.11 116.57 118.55 1ik0 h LYS 97 Ca 0.11 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ik0 h LYS 97 Cb 0.18 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ik0 h LYS 97 CO -0.01 0.44 0.66 -0.44 -0.57 0.00 0.00 179.45 179.52 1ik0 h ASP 98 N 0.57 1.15 -0.25 0.86 3.32 -0.83 -0.96 116.42 120.28 1ik0 h ASP 98 Ca 0.15 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1ik0 h ASP 98 Cb 0.00 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1ik0 h ASP 98 CO -0.03 0.83 -0.06 0.25 -1.72 0.00 0.00 179.24 178.51 1ik0 h LEU 99 N 1.35 0.58 -0.73 1.55 5.85 -0.45 -2.97 115.31 120.50 1ik0 h LEU 99 Ca 0.36 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1ik0 h LEU 99 Cb -0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1ik0 h LEU 99 CO -0.08 0.69 0.47 0.25 -0.34 0.00 0.00 178.44 179.43 1ik0 h LEU 100 N 0.57 0.78 -0.33 2.25 5.85 0.60 -1.44 115.31 123.59 1ik0 h LEU 100 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ik0 h LEU 100 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1ik0 h LEU 100 CO 0.02 0.54 0.21 -0.07 -0.34 0.00 0.00 178.44 178.80 1ik0 h LEU 101 N 0.92 0.39 -0.53 2.25 -0.00 -1.34 -2.79 115.31 114.21 1ik0 h LEU 101 Ca 0.29 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.88 57.99 1ik0 h LEU 101 Cb -0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1ik0 h LEU 101 CO -0.10 0.30 -0.36 0.45 -0.00 0.00 0.00 178.44 178.74 1ik0 h HIS 102 N 0.44 0.96 -0.02 1.13 3.86 -1.55 -3.03 115.15 116.93 1ik0 h HIS 102 Ca 0.12 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1ik0 h HIS 102 Cb -0.02 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1ik0 h HIS 102 CO -0.05 1.04 -0.01 -0.07 0.86 0.00 0.00 177.93 179.71 1ik0 h LEU 103 N 0.67 -0.04 -1.77 2.43 3.38 -1.07 -2.07 115.31 116.84 1ik0 h LEU 103 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ik0 h LEU 103 Cb 0.91 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ik0 h LEU 103 CO 0.08 -0.02 -0.02 0.07 0.09 0.00 0.00 178.44 178.65 1ik0 h LYS 104 N -0.01 0.00 -0.39 1.13 2.10 -1.55 -2.97 116.57 114.87 1ik0 h LYS 104 Ca 0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 1ik0 h LYS 104 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1ik0 h LYS 104 CO -0.03 0.02 -0.10 0.87 -2.00 0.00 0.00 179.45 178.21 1ik0 h LYS 105 N 0.00 0.76 -0.60 0.07 1.57 -1.25 -2.51 116.57 114.61 1ik0 h LYS 105 Ca -0.00 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1ik0 h LYS 105 Cb 0.42 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1ik0 h LYS 105 CO 0.00 0.90 0.40 -0.07 -0.57 0.00 0.00 179.45 180.11 1ik0 h LEU 106 N 0.57 0.69 -0.67 2.94 -0.00 -1.38 -1.04 115.31 116.41 1ik0 h LEU 106 Ca 0.10 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1ik0 h LEU 106 Cb 0.62 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 1ik0 h LEU 106 CO 0.04 0.50 0.44 0.15 -0.00 0.00 0.00 178.44 179.57 1ik0 h PHE 107 N 0.81 0.84 -0.92 1.13 3.57 -1.51 0.97 116.94 121.84 1ik0 h PHE 107 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1ik0 h PHE 107 Cb -0.09 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.32 1ik0 h PHE 107 CO -0.00 0.53 0.52 0.00 -2.23 0.00 0.00 178.31 177.13 1ik0 h ARG 108 N 0.90 1.27 0.00 1.11 2.47 -0.85 -1.02 114.38 118.26 1ik0 h ARG 108 Ca 0.24 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1ik0 h ARG 108 Cb -0.10 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 27.96 1ik0 h ARG 108 CO -0.05 0.91 -0.24 0.39 0.56 0.00 0.00 179.97 181.54 1ik0 n GLU 109 N -4.34 0.02 -1.17 0.04 -0.58 -0.77 -4.90 120.64 108.94 1ik0 n GLU 109 Ca 0.10 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1ik0 n GLU 109 Cb 0.08 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 1.49 0.66 3.35 0.62 0.00 0.33 -4.93 105.19 106.71 1ik0 n GLY 110 Ca 0.06 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.20 3.02 -0.12 1.61 0.52 -0.93 -4.98 118.95 115.88 1ik0 s ARG 111 Ca 0.00 -1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 53.59 1ik0 s ARG 111 Cb 0.00 -4.25 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 1ik0 s ARG 111 CO 0.00 -1.36 0.37 -0.06 0.02 0.00 0.00 175.30 174.27 1ik0 s PHE 112 N 2.08 3.53 0.00 -0.53 0.08 -1.26 -4.75 117.98 117.13 1ik0 s PHE 112 Ca 0.07 0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.89 1ik0 s PHE 112 Cb -0.26 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1ik0 s PHE 112 CO 0.05 0.30 0.00 0.09 -0.10 0.00 0.00 175.22 175.57