#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 1.60 0.76 3.03 0.00 -1.26 -4.99 107.32 106.46 1ik0 s GLY 2 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 1ik0 s GLY 2 CO 0.00 -0.12 0.28 -1.05 0.00 0.00 0.00 173.10 172.21 1ik0 n PRO 3 N -4.77 -0.34 -2.71 2.90 -0.02 -1.26 -4.89 135.00 123.91 1ik0 n PRO 3 Ca 0.14 -0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 60.79 1ik0 n PRO 3 Cb 0.60 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.83 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 -1.86 4.08 1.04 -1.45 -7.23 -1.26 -5.03 120.40 108.70 1ik0 s VAL 4 Ca 0.21 1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 61.90 1ik0 s VAL 4 Cb -0.04 -3.86 0.22 0.00 0.56 0.00 0.00 36.38 33.26 1ik0 s VAL 4 CO 0.18 0.05 1.07 -2.16 -0.31 0.00 0.00 175.10 173.93 1ik0 s PRO 5 N -2.31 0.04 0.12 4.82 0.04 -1.26 -4.66 135.00 131.78 1ik0 s PRO 5 Ca 0.54 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 1ik0 s PRO 5 Cb -0.19 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1ik0 s PRO 5 CO 0.24 -3.13 1.72 -1.00 0.04 0.00 0.00 177.00 174.87 1ik0 h PRO 6 N -2.20 0.03 -0.88 0.56 0.13 -1.99 -0.22 132.00 127.43 1ik0 h PRO 6 Ca -0.54 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 1ik0 h PRO 6 Cb 1.31 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1ik0 h PRO 6 CO 0.49 0.02 0.46 0.66 -0.23 0.00 0.00 178.00 179.40 1ik0 h SER 7 N 0.03 1.13 -0.34 1.44 4.64 -1.95 -1.04 113.55 117.46 1ik0 h SER 7 Ca 0.07 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1ik0 h SER 7 Cb 0.10 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1ik0 h SER 7 CO -0.14 0.92 -0.37 0.74 -0.87 0.00 0.00 176.83 177.12 1ik0 h THR 8 N 1.25 1.28 -0.75 2.95 2.02 -1.85 -2.36 112.91 115.45 1ik0 h THR 8 Ca 0.31 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1ik0 h THR 8 Cb 0.07 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1ik0 h THR 8 CO -0.04 0.51 0.39 0.00 0.37 0.00 0.00 175.52 176.74 1ik0 h ALA 9 N 0.74 0.96 -0.02 6.16 0.00 -0.73 -0.49 119.26 125.88 1ik0 h ALA 9 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ik0 h ALA 9 Cb 0.96 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ik0 h ALA 9 CO 0.09 0.50 0.01 1.25 0.00 0.00 0.00 179.25 181.10 1ik0 h LEU 10 N 1.04 0.03 -0.77 0.00 5.85 -1.09 0.23 115.31 120.60 1ik0 h LEU 10 Ca 0.26 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ik0 h LEU 10 Cb 0.08 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ik0 h LEU 10 CO -0.04 0.08 0.51 0.03 -0.34 0.00 0.00 178.44 178.68 1ik0 h ARG 11 N -0.03 1.01 -0.53 1.25 3.08 -1.12 0.49 114.38 118.53 1ik0 h ARG 11 Ca 0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1ik0 h ARG 11 Cb 0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1ik0 h ARG 11 CO -0.00 0.67 0.11 0.93 -1.07 0.00 0.00 179.97 180.61 1ik0 h GLU 12 N 1.04 0.81 0.13 0.04 5.08 -0.77 -0.90 114.58 120.02 1ik0 h GLU 12 Ca 0.28 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ik0 h GLU 12 Cb -0.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1ik0 h GLU 12 CO -0.06 0.74 -0.06 1.25 -1.00 0.00 0.00 179.01 179.88 1ik0 h LEU 13 N 0.78 -0.15 -0.16 1.33 5.85 0.92 -2.32 115.31 121.56 1ik0 h LEU 13 Ca 0.17 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ik0 h LEU 13 Cb 0.31 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ik0 h LEU 13 CO 0.00 0.33 0.11 0.40 -0.34 0.00 0.00 178.44 178.94 1ik0 h ILE 14 N -0.69 1.04 -1.00 4.05 2.04 0.00 -0.03 117.51 122.93 1ik0 h ILE 14 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ik0 h ILE 14 Cb 0.51 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1ik0 h ILE 14 CO 0.03 0.04 0.66 -0.33 0.00 0.00 0.00 178.15 178.55 1ik0 h GLU 15 N 0.21 1.33 -0.24 2.37 5.08 -1.25 -1.31 114.58 120.77 1ik0 h GLU 15 Ca 0.06 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1ik0 h GLU 15 Cb -0.02 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1ik0 h GLU 15 CO -0.01 0.88 -0.26 1.49 -1.00 0.00 0.00 179.01 180.11 1ik0 h GLU 16 N 1.36 0.61 -0.79 2.33 4.81 -1.06 -2.43 114.58 119.41 1ik0 h GLU 16 Ca 0.37 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1ik0 h GLU 16 Cb -0.15 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1ik0 h GLU 16 CO -0.08 0.93 0.39 -0.07 -0.73 0.00 0.00 179.01 179.45 1ik0 h LEU 17 N 0.31 1.02 -0.54 1.64 3.38 -0.70 -2.74 115.31 117.68 1ik0 h LEU 17 Ca 0.04 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1ik0 h LEU 17 Cb 0.83 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1ik0 h LEU 17 CO 0.06 0.86 -0.14 0.58 0.09 0.00 0.00 178.44 179.90 1ik0 h VAL 18 N 1.11 1.27 -1.00 1.22 2.07 -1.23 -2.68 116.25 117.00 1ik0 h VAL 18 Ca 0.27 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ik0 h VAL 18 Cb 0.10 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1ik0 h VAL 18 CO -0.04 0.46 0.67 -1.13 0.02 0.00 0.00 177.57 177.55 1ik0 h ASN 19 N 0.91 1.15 1.70 0.57 -1.24 -1.15 -0.57 115.58 116.96 1ik0 h ASN 19 Ca 0.13 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 1ik0 h ASN 19 Cb 0.71 -0.29 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ik0 h ASN 19 CO 0.05 0.84 -0.11 0.16 -1.29 0.00 0.00 177.43 177.08 1ik0 h ILE 20 N 1.36 0.20 -0.01 2.57 3.07 -1.40 -3.27 117.51 120.04 1ik0 h ILE 20 Ca 0.37 -1.17 0.00 0.00 1.55 0.00 0.00 64.86 65.60 1ik0 h ILE 20 Cb -0.16 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1ik0 h ILE 20 CO -0.08 0.11 -0.58 0.35 -1.05 0.00 0.00 178.15 176.90 1ik0 n THR 21 N -3.14 0.00 0.13 0.16 -2.24 -0.91 -3.93 114.28 104.35 1ik0 n THR 21 Ca 0.03 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 1ik0 n THR 21 Cb 0.53 1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.96 0.48 -0.34 -0.78 1.08 -1.16 -3.35 115.11 112.99 1ik0 h GLN 22 Ca 0.00 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.38 1ik0 h GLN 22 Cb 0.71 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1ik0 h GLN 22 CO 0.00 1.39 0.00 0.09 -0.95 0.00 0.00 178.83 179.36 1ik0 n ASN 23 N -3.67 4.14 -4.71 1.46 5.03 -1.26 -4.99 115.26 111.26 1ik0 n ASN 23 Ca -0.16 -2.88 -0.41 0.00 0.87 0.00 0.00 54.58 52.00 1ik0 n ASN 23 Cb 1.09 -0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 39.27 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ik0 s GLN 24 N -2.59 4.51 0.00 3.52 0.00 -1.25 -4.98 119.66 118.87 1ik0 s GLN 24 Ca 0.43 1.21 0.00 0.00 -0.00 0.00 0.00 55.36 57.00 1ik0 s GLN 24 Cb 0.33 -3.45 0.00 0.00 0.00 0.00 0.00 33.01 29.89 1ik0 s GLN 24 CO 0.11 -0.00 0.00 1.17 0.00 0.00 0.00 175.29 176.57 1ik0 n LYS 25 N 3.85 0.00 -2.64 9.60 4.81 -1.26 -4.92 118.16 127.60 1ik0 n LYS 25 Ca 0.03 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.16 1ik0 n LYS 25 Cb 0.51 -0.33 -0.05 0.00 0.02 0.00 0.00 35.03 35.19 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 -4.34 3.09 0.47 3.14 0.00 -1.26 -4.98 121.76 117.88 1ik0 s ALA 26 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1ik0 s ALA 26 Cb 0.00 -3.09 -0.11 0.00 0.00 0.00 0.00 23.12 19.93 1ik0 s ALA 26 CO 0.00 -0.04 0.67 -2.30 0.00 0.00 0.00 175.76 174.08 1ik0 n PRO 27 N -1.12 0.74 -0.03 0.00 -0.01 -1.26 -4.86 135.00 128.47 1ik0 n PRO 27 Ca 0.06 0.27 -0.10 0.00 -0.01 0.00 0.00 63.50 63.72 1ik0 n PRO 27 Cb 0.54 -1.72 -0.04 0.00 -0.01 0.00 0.00 33.50 32.27 1ik0 n PRO 27 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1ik0 h LEU 28 N 0.79 0.19-10.31 2.45 3.38 -1.97 -3.42 115.31 106.42 1ik0 h LEU 28 Ca -0.43 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.03 1ik0 h LEU 28 Cb 1.38 -0.05 0.04 0.00 0.09 0.00 0.00 40.66 42.13 1ik0 h LEU 28 CO 0.51 0.14 0.22 0.00 0.09 0.00 0.00 178.44 179.41 1ik0 n ASN 30 N -2.39 2.57 -1.88 0.00 2.85 -1.26 -4.08 115.26 111.07 1ik0 n ASN 30 Ca 0.03 -2.65 -0.21 0.00 -0.11 0.00 0.00 54.58 51.64 1ik0 n ASN 30 Cb 0.55 -1.08 -0.06 0.00 1.24 0.00 0.00 39.78 40.43 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ik0 n GLY 31 N 4.50 1.14 3.76 8.20 0.00 -1.26 -4.92 105.19 116.61 1ik0 n GLY 31 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.53 5.52 0.12 1.61 0.01 -1.26 -4.90 113.70 112.27 1ik0 s SER 32 Ca 0.00 2.67 0.09 0.00 1.31 0.00 0.00 55.95 60.02 1ik0 s SER 32 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ik0 s SER 32 CO 0.00 -1.39 -0.17 -0.04 0.41 0.00 0.00 173.24 172.05 1ik0 s MET 33 N -2.82 1.83 0.16 12.44 -1.94 -1.26 -2.62 119.30 125.09 1ik0 s MET 33 Ca 0.69 -1.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 1ik0 s MET 33 Cb -0.38 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 1ik0 s MET 33 CO 0.45 0.48 -0.12 0.14 -0.01 0.00 0.00 175.02 175.97 1ik0 s VAL 34 N -1.17 1.35 0.14 -6.03 -7.23 -0.18 -4.90 120.40 102.37 1ik0 s VAL 34 Ca 0.19 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 1ik0 s VAL 34 Cb -0.11 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 1ik0 s VAL 34 CO 0.11 -0.70 1.17 0.26 -0.31 0.00 0.00 175.10 175.63 1ik0 s TRP 35 N -3.21 3.48 0.58 2.82 0.52 -1.26 -0.82 118.94 121.05 1ik0 s TRP 35 Ca 0.18 1.43 -0.18 0.00 0.02 0.00 0.00 56.10 57.56 1ik0 s TRP 35 Cb 0.01 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1ik0 s TRP 35 CO 0.03 -1.05 1.12 -1.54 0.02 0.00 0.00 176.95 175.52 1ik0 s SER 36 N 0.41 5.52 0.18 2.95 1.04 -1.15 -4.89 113.70 117.76 1ik0 s SER 36 Ca 0.54 2.10 0.04 0.00 0.48 0.00 0.00 55.95 59.10 1ik0 s SER 36 Cb -0.30 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.20 1ik0 s SER 36 CO 0.33 -1.36 -0.05 0.27 0.98 0.00 0.00 173.24 173.42 1ik0 s ILE 37 N -2.00 1.06 -0.31 -1.02 -4.36 -1.26 -4.89 121.20 108.43 1ik0 s ILE 37 Ca 0.70 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.85 1ik0 s ILE 37 Cb -0.22 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 1ik0 s ILE 37 CO 0.32 -0.55 0.64 0.21 0.24 0.00 0.00 174.94 175.81 1ik0 s ASN 38 N -3.22 6.51 -0.41 4.36 2.47 -1.26 -5.01 114.94 118.37 1ik0 s ASN 38 Ca 0.22 0.43 -0.29 0.00 0.42 0.00 0.00 52.86 53.64 1ik0 s ASN 38 Cb 0.04 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1ik0 s ASN 38 CO 0.04 -0.50 1.10 -0.76 -3.72 0.00 0.00 177.10 173.27 1ik0 s LEU 39 N 2.65 3.77 0.00 3.21 2.01 -1.26 -4.75 118.68 124.31 1ik0 s LEU 39 Ca 0.26 0.71 0.00 0.00 0.01 0.00 0.00 54.13 55.11 1ik0 s LEU 39 Cb -0.15 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1ik0 s LEU 39 CO 0.12 -1.08 0.00 0.35 1.01 0.00 0.00 176.35 176.75 1ik0 n THR 40 N 6.40 0.00 0.01 5.49 -2.24 -1.26 -5.04 114.28 117.65 1ik0 n THR 40 Ca 0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1ik0 n THR 40 Cb 0.48 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.51 2.38 -0.22 6.98 0.00 -1.26 -4.65 120.51 122.22 1ik0 n ALA 41 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ik0 n ALA 41 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 3.01 1.39 0.04 0.00 0.00 -1.26 -4.26 105.19 104.11 1ik0 n GLY 42 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1ik0 n GLY 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ik0 h MET 43 N 2.67 -0.00 -0.35 1.61 0.00 -1.87 0.85 114.93 117.84 1ik0 h MET 43 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.66 1ik0 h MET 43 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.03 1ik0 h MET 43 CO 0.00 -0.00 0.06 1.88 0.00 0.00 0.00 176.91 178.85 1ik0 h TYR 44 N -0.00 0.63 -0.13 -0.22 0.05 -1.90 0.12 116.97 115.51 1ik0 h TYR 44 Ca 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1ik0 h TYR 44 Cb 0.00 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 1ik0 h TYR 44 CO -0.08 0.65 -0.07 0.00 -1.05 0.00 0.00 178.16 177.60 1ik0 h ALA 46 N 0.64 0.47 -0.74 0.00 0.00 0.78 -1.72 119.26 118.69 1ik0 h ALA 46 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ik0 h ALA 46 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ik0 h ALA 46 CO 0.02 -0.07 0.22 0.00 0.00 0.00 0.00 179.25 179.43 1ik0 h ALA 47 N 1.14 0.98 -0.00 0.00 0.00 -0.73 -2.83 119.26 117.82 1ik0 h ALA 47 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ik0 h ALA 47 Cb -0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ik0 h ALA 47 CO -0.03 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.14 1ik0 h LEU 48 N 1.11 0.00 -1.34 0.00 5.85 -0.40 -1.13 115.31 119.41 1ik0 h LEU 48 Ca 0.24 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1ik0 h LEU 48 Cb 0.32 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ik0 h LEU 48 CO -0.01 0.00 0.47 1.05 -0.34 0.00 0.00 178.44 179.62 1ik0 h GLU 49 N -0.00 0.83 -0.56 1.25 4.11 -1.25 0.15 114.58 119.10 1ik0 h GLU 49 Ca 0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.28 1ik0 h GLU 49 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1ik0 h GLU 49 CO -0.00 0.55 -0.05 0.66 0.07 0.00 0.00 179.01 180.24 1ik0 h SER 50 N 0.86 1.02 -0.26 3.06 4.64 -1.19 -2.94 113.55 118.74 1ik0 h SER 50 Ca 0.28 -0.33 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1ik0 h SER 50 Cb 0.07 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1ik0 h SER 50 CO -0.08 1.11 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.49 1ik0 h LEU 51 N 0.92 0.87 -1.42 5.97 3.38 -0.12 -2.64 115.31 122.27 1ik0 h LEU 51 Ca 0.15 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ik0 h LEU 51 Cb 0.62 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ik0 h LEU 51 CO 0.04 1.18 0.22 0.40 0.09 0.00 0.00 178.44 180.37 1ik0 h ILE 52 N 0.66 0.00 0.00 1.22 1.08 -0.57 0.79 117.51 120.69 1ik0 h ILE 52 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1ik0 h ILE 52 Cb 0.99 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1ik0 h ILE 52 CO 0.10 0.00 -0.34 0.59 -0.69 0.00 0.00 178.15 177.80 1ik0 n ASN 53 N -2.38 0.76 -4.65 1.72 3.02 -1.00 -4.67 115.26 108.07 1ik0 n ASN 53 Ca -0.01 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.46 1ik0 n ASN 53 Cb 0.26 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -3.14 5.05 0.11 2.41 1.01 0.28 -5.06 120.40 121.05 1ik0 s VAL 54 Ca 0.08 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.22 1ik0 s VAL 54 Cb 0.13 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ik0 s VAL 54 CO 0.67 0.11 -0.25 -0.44 0.00 0.00 0.00 175.10 175.19 1ik0 s SER 55 N 1.29 3.05 0.00 3.32 0.01 -1.26 -4.65 113.70 115.45 1ik0 s SER 55 Ca 0.26 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1ik0 s SER 55 Cb -0.16 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1ik0 s SER 55 CO 0.10 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1ik0 n GLY 56 N 1.14 1.00 3.37 3.44 0.00 -1.26 -4.99 105.19 107.88 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 7.94 0.32 0.00 0.00 0.87 -1.96 -3.09 113.55 117.64 1ik0 h SER 58 Ca 0.13 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1ik0 h SER 58 Cb 1.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ik0 h SER 58 CO 0.88 0.93 0.48 0.00 -0.53 0.00 0.00 176.83 178.59 1ik0 h ALA 59 N 1.06 1.45 -0.19 6.23 0.00 -1.96 0.90 119.26 126.75 1ik0 h ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ik0 h ALA 59 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ik0 h ALA 59 CO 0.11 -0.45 0.00 0.44 0.00 0.00 0.00 179.25 179.35 1ik0 n ILE 60 N -2.65 0.77 -0.05 0.00 -5.35 -1.17 -4.59 119.36 106.32 1ik0 n ILE 60 Ca -0.01 -0.89 -0.10 0.00 -0.27 0.00 0.00 62.75 61.48 1ik0 n ILE 60 Cb 0.51 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 1ik0 n ILE 60 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ik0 h GLU 61 N 1.43 0.29 -0.76 6.28 4.81 0.78 -1.45 114.58 125.96 1ik0 h GLU 61 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ik0 h GLU 61 Cb 0.58 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1ik0 h GLU 61 CO 0.00 0.19 0.40 0.87 -0.73 0.00 0.00 179.01 179.75 1ik0 h LYS 62 N 0.29 1.07 -0.92 1.92 1.57 -1.81 -2.35 116.57 116.34 1ik0 h LYS 62 Ca 0.08 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ik0 h LYS 62 Cb -0.03 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.02 1ik0 h LYS 62 CO -0.02 0.79 0.60 1.15 -0.57 0.00 0.00 179.45 181.41 1ik0 h THR 63 N 1.07 1.20 -0.07 -0.16 2.02 -1.58 -1.43 112.91 113.97 1ik0 h THR 63 Ca 0.27 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1ik0 h THR 63 Cb 0.05 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1ik0 h THR 63 CO -0.04 0.22 0.04 1.56 0.37 0.00 0.00 175.52 177.67 1ik0 h GLN 64 N 1.21 0.08 -0.77 6.66 4.20 -0.75 0.11 115.11 125.86 1ik0 h GLN 64 Ca 0.35 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 1ik0 h GLN 64 Cb -0.09 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1ik0 h GLN 64 CO -0.09 0.06 0.43 -0.09 -0.67 0.00 0.00 178.83 178.46 1ik0 h ARG 65 N 0.09 1.06 -0.87 1.46 2.43 -1.39 0.16 114.38 117.32 1ik0 h ARG 65 Ca 0.03 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1ik0 h ARG 65 Cb -0.01 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 1ik0 h ARG 65 CO -0.01 0.78 0.52 0.52 -1.51 0.00 0.00 179.97 180.27 1ik0 h MET 66 N 1.06 1.18 -0.37 0.20 2.86 -0.84 -1.39 114.93 117.63 1ik0 h MET 66 Ca 0.27 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1ik0 h MET 66 Cb 0.02 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1ik0 h MET 66 CO -0.05 0.83 -0.20 -0.07 1.06 0.00 0.00 176.91 178.48 1ik0 h LEU 67 N 1.20 0.72 -1.17 1.22 3.38 0.02 -2.76 115.31 117.92 1ik0 h LEU 67 Ca 0.31 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ik0 h LEU 67 Cb -0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1ik0 h LEU 67 CO -0.06 0.92 0.57 0.28 0.09 0.00 0.00 178.44 180.24 1ik0 h SER 68 N 0.63 0.94 -1.03 -0.43 0.02 0.33 -0.44 113.55 113.57 1ik0 h SER 68 Ca 0.09 -0.01 0.30 0.00 -0.84 0.00 0.00 61.79 61.33 1ik0 h SER 68 Cb 0.69 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1ik0 h SER 68 CO 0.05 0.65 0.75 1.23 -1.14 0.00 0.00 176.83 178.37 1ik0 h GLY 69 N 1.09 0.00 -0.62 -3.77 0.00 -1.05 1.80 103.07 100.51 1ik0 h GLY 69 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1ik0 h GLY 69 CO -0.10 0.00 -0.25 0.69 0.00 0.00 0.00 176.54 176.88 1ik0 n PHE 70 N -4.21 0.00 -3.54 5.60 3.72 -0.20 -4.55 117.46 114.28 1ik0 n PHE 70 Ca 0.22 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.35 1ik0 n PHE 70 Cb 1.10 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 39.49 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 5.55 0.00 -5.26 0.00 0.11 -1.78 -3.39 132.00 127.24 1ik0 h PRO 72 Ca 0.23 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.71 1ik0 h PRO 72 Cb 0.86 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.83 1ik0 h PRO 72 CO 0.47 0.00 -0.06 -3.38 -0.21 0.00 0.00 178.00 174.82 1ik0 s HIS 73 N -4.24 3.21 0.14 0.65 -3.43 -1.26 -5.04 115.29 105.32 1ik0 s HIS 73 Ca -0.03 0.32 -0.30 0.00 -0.80 0.00 0.00 55.06 54.25 1ik0 s HIS 73 Cb 0.09 -2.84 -0.07 0.00 -1.43 0.00 0.00 32.58 28.34 1ik0 s HIS 73 CO 0.31 -0.44 1.04 0.15 -2.00 0.00 0.00 174.74 173.80 1ik0 s LYS 74 N 2.34 4.63 -0.13 -0.38 1.02 -1.26 -5.04 119.74 120.93 1ik0 s LYS 74 Ca 0.19 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1ik0 s LYS 74 Cb -0.16 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 1ik0 s LYS 74 CO 0.12 0.12 -0.15 0.54 -0.92 0.00 0.00 175.35 175.06 1ik0 s VAL 75 N -0.08 2.90 0.58 3.17 0.11 -1.26 -5.12 120.40 120.70 1ik0 s VAL 75 Ca 0.49 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 1ik0 s VAL 75 Cb -0.27 -2.20 0.06 0.00 -1.53 0.00 0.00 36.38 32.44 1ik0 s VAL 75 CO 0.32 0.53 0.81 -0.94 -3.33 0.00 0.00 175.10 172.49 1ik0 s SER 76 N 0.36 5.07 0.22 3.54 1.04 -1.26 -4.88 113.70 117.79 1ik0 s SER 76 Ca -0.12 -0.23 -0.09 0.00 0.48 0.00 0.00 55.95 55.99 1ik0 s SER 76 Cb -0.16 -0.52 0.18 0.00 0.10 0.00 0.00 66.02 65.62 1ik0 s SER 76 CO 0.06 -1.30 1.89 0.00 0.98 0.00 0.00 173.24 174.88 1ik0 h ALA 77 N -0.00 1.04 -0.95 5.32 0.00 -1.94 -2.17 119.26 120.55 1ik0 h ALA 77 Ca -0.39 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ik0 h ALA 77 Cb 1.29 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1ik0 h ALA 77 CO 0.47 0.45 0.63 0.78 0.00 0.00 0.00 179.25 181.58 1ik0 h GLY 78 N 1.11 1.34 -4.85 0.00 0.00 -1.97 -3.41 103.07 95.30 1ik0 h GLY 78 Ca 0.30 -0.51 -0.56 0.00 0.00 0.00 0.00 47.33 46.56 1ik0 h GLY 78 CO -0.06 0.50 0.04 1.20 0.00 0.00 0.00 176.54 178.21 1ik0 s GLN 79 N -6.05 4.38 0.10 4.80 -0.21 -0.82 -5.07 119.66 116.79 1ik0 s GLN 79 Ca -0.13 0.83 0.06 0.00 0.02 0.00 0.00 55.36 56.14 1ik0 s GLN 79 Cb 0.18 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1ik0 s GLN 79 CO 0.81 0.30 -0.14 -0.06 -2.12 0.00 0.00 175.29 174.08 1ik0 s PHE 80 N -0.01 1.32 0.00 0.91 0.08 -1.26 -4.30 117.98 114.72 1ik0 s PHE 80 Ca 0.34 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1ik0 s PHE 80 Cb -0.19 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1ik0 s PHE 80 CO 0.19 0.10 0.00 0.43 -0.10 0.00 0.00 175.22 175.84 1ik0 n SER 81 N 0.92 0.02 -0.65 1.36 7.64 -1.26 -4.86 113.62 116.79 1ik0 n SER 81 Ca -0.18 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.78 1ik0 n SER 81 Cb 0.55 -0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.82 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 -2.95 2.36 -1.02 6.43 2.88 -1.26 -4.47 113.62 115.59 1ik0 n SER 82 Ca 0.00 -1.68 0.01 0.00 -1.33 0.00 0.00 58.87 55.87 1ik0 n SER 82 Cb 0.43 -0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.91 2.78 0.05 2.46 4.32 -1.26 -3.92 117.00 122.35 1ik0 n LEU 83 Ca 0.09 -1.41 -0.19 0.00 -0.02 0.00 0.00 56.01 54.48 1ik0 n LEU 83 Cb 0.41 -0.57 -0.09 0.00 -1.62 0.00 0.00 43.42 41.54 1ik0 n LEU 83 CO 0.10 0.42 0.08 0.45 -1.22 0.00 0.00 177.39 177.22 1ik0 h HIS 84 N 1.12 0.95 -4.12 -1.77 3.86 -1.95 -3.44 115.15 109.80 1ik0 h HIS 84 Ca 0.03 -0.52 -0.49 0.00 -1.16 0.00 0.00 60.37 58.23 1ik0 h HIS 84 Cb 1.07 -0.10 0.05 0.00 1.06 0.00 0.00 27.41 29.49 1ik0 h HIS 84 CO 0.38 1.36 0.39 0.14 0.86 0.00 0.00 177.93 181.06 1ik0 s VAL 85 N -3.27 3.66 -1.25 2.45 -7.23 -1.25 -4.93 120.40 108.57 1ik0 s VAL 85 Ca -0.09 0.93 -0.10 0.00 -1.81 0.00 0.00 61.98 60.91 1ik0 s VAL 85 Cb 0.07 -3.38 0.17 0.00 0.56 0.00 0.00 36.38 33.80 1ik0 s VAL 85 CO 0.91 -0.32 1.73 0.54 -0.31 0.00 0.00 175.10 177.66 1ik0 n ARG 86 N -1.45 3.58 -2.06 4.82 1.74 -1.26 -4.99 116.66 117.03 1ik0 n ARG 86 Ca 0.10 -3.66 -0.27 0.00 -0.77 0.00 0.00 57.85 53.25 1ik0 n ARG 86 Cb 0.52 -2.94 0.08 0.00 -1.02 0.00 0.00 32.46 29.10 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 1.35 4.70 0.22 0.55 1.01 -1.26 -5.06 116.67 118.17 1ik0 s ASP 87 Ca 0.40 0.62 -0.07 0.00 0.71 0.00 0.00 52.55 54.21 1ik0 s ASP 87 Cb 0.06 -1.20 -0.06 0.00 1.01 0.00 0.00 42.92 42.72 1ik0 s ASP 87 CO 0.01 -1.72 0.50 -0.89 0.21 0.00 0.00 175.17 173.27 1ik0 s THR 88 N -3.39 5.03 0.42 -1.27 2.01 -1.26 -4.88 115.64 112.30 1ik0 s THR 88 Ca 0.61 0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.67 1ik0 s THR 88 Cb -0.11 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1ik0 s THR 88 CO 0.47 -0.12 0.84 -0.54 -0.69 0.00 0.00 174.62 174.57 1ik0 s LYS 89 N -3.02 3.90 0.11 4.92 1.02 -1.26 -2.92 119.74 122.49 1ik0 s LYS 89 Ca 0.44 0.69 0.02 0.00 0.02 0.00 0.00 55.97 57.15 1ik0 s LYS 89 Cb -0.11 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1ik0 s LYS 89 CO 0.25 -0.07 -0.07 0.96 -0.92 0.00 0.00 175.35 175.50 1ik0 s ILE 90 N -2.36 0.79 0.53 2.17 -4.36 -0.00 -4.89 121.20 113.07 1ik0 s ILE 90 Ca 0.55 -1.96 -0.21 0.00 -0.26 0.00 0.00 60.65 58.77 1ik0 s ILE 90 Cb -0.10 -1.71 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 1ik0 s ILE 90 CO 0.28 -0.85 1.24 -1.61 0.24 0.00 0.00 174.94 174.24 1ik0 s GLU 91 N -3.81 3.33 0.24 0.37 2.02 -1.26 -1.01 118.70 118.59 1ik0 s GLU 91 Ca 0.13 1.94 -0.06 0.00 0.02 0.00 0.00 54.97 57.01 1ik0 s GLU 91 Cb 0.05 -2.22 0.30 0.00 0.10 0.00 0.00 34.13 32.36 1ik0 s GLU 91 CO -0.04 -0.95 1.88 0.28 0.02 0.00 0.00 175.26 176.46 1ik0 h VAL 92 N 1.45 1.13 -1.01 2.63 2.07 -1.85 -1.62 116.25 119.06 1ik0 h VAL 92 Ca -0.50 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 66.79 1ik0 h VAL 92 Cb 1.28 -0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1ik0 h VAL 92 CO 0.58 0.20 0.62 0.00 0.02 0.00 0.00 177.57 179.00 1ik0 h ALA 93 N 1.39 1.60 -0.06 1.67 0.00 -1.90 0.10 119.26 122.06 1ik0 h ALA 93 Ca 0.37 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.13 1ik0 h ALA 93 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ik0 h ALA 93 CO -0.13 0.09 -0.80 1.96 0.00 0.00 0.00 179.25 180.37 1ik0 h GLN 94 N 0.88 0.42 0.00 0.00 4.20 -1.69 -2.87 115.11 116.06 1ik0 h GLN 94 Ca 0.54 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ik0 h GLN 94 Cb 0.69 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ik0 h GLN 94 CO -0.32 1.03 -0.00 0.35 -0.67 0.00 0.00 178.83 179.21 1ik0 h PHE 95 N 0.27 -0.00 -0.19 2.96 3.04 -0.02 -0.04 116.94 122.96 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 1.40 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1ik0 h PHE 95 CO 0.05 -0.00 0.11 0.28 -2.02 0.00 0.00 178.31 176.73 1ik0 h VAL 96 N -0.00 1.09 -0.56 1.41 2.07 -1.13 -1.21 116.25 117.92 1ik0 h VAL 96 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ik0 h VAL 96 Cb 0.00 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1ik0 h VAL 96 CO -0.00 0.09 0.37 0.11 0.02 0.00 0.00 177.57 178.15 1ik0 h LYS 97 N 0.21 0.74 -1.00 1.57 1.57 -1.33 -0.07 116.57 118.26 1ik0 h LYS 97 Ca 0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ik0 h LYS 97 Cb 0.05 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 1ik0 h LYS 97 CO -0.01 0.50 0.65 -0.44 -0.57 0.00 0.00 179.45 179.57 1ik0 h ASP 98 N 0.76 1.16 -0.76 0.86 3.32 -0.77 -1.31 116.42 119.68 1ik0 h ASP 98 Ca 0.21 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1ik0 h ASP 98 Cb -0.08 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.15 1ik0 h ASP 98 CO -0.04 0.85 0.35 0.25 -1.72 0.00 0.00 179.24 178.92 1ik0 h LEU 99 N 1.36 1.02 -0.71 1.55 5.85 -0.32 -2.88 115.31 121.17 1ik0 h LEU 99 Ca 0.36 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1ik0 h LEU 99 Cb -0.13 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.58 1ik0 h LEU 99 CO -0.08 0.88 0.41 0.25 -0.34 0.00 0.00 178.44 179.56 1ik0 h LEU 100 N 1.10 0.62 -0.51 2.25 5.85 0.15 -0.69 115.31 124.09 1ik0 h LEU 100 Ca 0.26 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1ik0 h LEU 100 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ik0 h LEU 100 CO -0.03 0.40 0.34 -0.07 -0.34 0.00 0.00 178.44 178.74 1ik0 h LEU 101 N 0.76 0.59 -0.37 2.25 -0.00 -1.32 -2.79 115.31 114.43 1ik0 h LEU 101 Ca 0.32 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 58.01 1ik0 h LEU 101 Cb 0.18 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1ik0 h LEU 101 CO -0.18 0.43 -0.43 0.45 -0.00 0.00 0.00 178.44 178.71 1ik0 h HIS 102 N 0.70 1.12 -0.01 1.13 3.86 -1.46 -2.38 115.15 118.11 1ik0 h HIS 102 Ca 0.19 -0.36 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1ik0 h HIS 102 Cb -0.08 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1ik0 h HIS 102 CO -0.04 1.19 -0.06 -0.07 0.86 0.00 0.00 177.93 179.80 1ik0 h LEU 103 N 0.74 -0.19 -1.36 2.43 3.38 -0.95 -1.80 115.31 117.57 1ik0 h LEU 103 Ca 0.05 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ik0 h LEU 103 Cb 1.03 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ik0 h LEU 103 CO 0.10 -0.09 -0.29 0.07 0.09 0.00 0.00 178.44 178.32 1ik0 h LYS 104 N -0.11 0.00 -0.26 1.13 2.10 -1.55 -3.09 116.57 114.78 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 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1ik0 h LYS 104 CO -0.08 0.29 0.11 -0.22 -2.00 0.00 0.00 179.45 177.55 1ik0 h LYS 105 N 0.00 0.39 -0.02 0.07 3.64 -0.78 -2.28 116.57 117.59 1ik0 h LYS 105 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ik0 h LYS 105 Cb 0.63 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ik0 h LYS 105 CO 0.04 0.41 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.50 1ik0 h LEU 106 N 0.28 0.02 -1.01 5.20 -0.00 -1.37 -1.76 115.31 116.67 1ik0 h LEU 106 Ca 0.09 -0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1ik0 h LEU 106 Cb 0.16 -0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.76 1ik0 h LEU 106 CO -0.01 0.07 0.66 0.15 -0.00 0.00 0.00 178.44 179.32 1ik0 h PHE 107 N 0.02 1.27 -0.91 1.13 3.57 -1.42 -0.58 116.94 120.02 1ik0 h PHE 107 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ik0 h PHE 107 Cb 0.11 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 1ik0 h PHE 107 CO 0.00 0.80 0.60 0.00 -2.23 0.00 0.00 178.31 177.48 1ik0 h ARG 108 N 1.37 1.19 0.00 1.11 3.08 -1.22 -1.91 114.38 118.00 1ik0 h ARG 108 Ca 0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1ik0 h ARG 108 Cb -0.15 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.63 1ik0 h ARG 108 CO -0.08 0.79 -0.31 0.39 -1.07 0.00 0.00 179.97 179.69 1ik0 n GLU 109 N -4.39 0.14 -0.68 0.04 1.02 -0.78 -4.89 120.64 111.09 1ik0 n GLU 109 Ca 0.10 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1ik0 n GLU 109 Cb 0.02 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.41 0.49 3.38 0.62 0.00 -0.30 -4.91 105.19 105.89 1ik0 n GLY 110 Ca 0.05 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 -0.53 3.05 -0.17 1.61 0.52 -1.22 -5.02 118.95 117.20 1ik0 s ARG 111 Ca 0.00 -1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 53.74 1ik0 s ARG 111 Cb 0.00 -4.25 -0.03 0.00 0.52 0.00 0.00 34.95 31.18 1ik0 s ARG 111 CO 0.00 -1.52 0.56 -0.06 0.02 0.00 0.00 175.30 174.30 1ik0 s PHE 112 N 2.69 3.43 0.00 -0.53 0.08 -1.26 -4.81 117.98 117.58 1ik0 s PHE 112 Ca 0.12 0.89 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1ik0 s PHE 112 Cb -0.24 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 1ik0 s PHE 112 CO 0.07 -0.04 0.00 -1.71 -0.10 0.00 0.00 175.22 173.44