#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 0.89 3.03 0.00 -1.26 -4.99 107.32 106.60 1ik0 s GLY 2 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 1ik0 s GLY 2 CO 0.00 0.33 -0.38 -1.05 0.00 0.00 0.00 173.10 172.00 1ik0 n PRO 3 N -3.86 -0.91 -2.82 2.90 -0.02 -1.26 -4.91 135.00 124.13 1ik0 n PRO 3 Ca 0.07 -0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 60.94 1ik0 n PRO 3 Cb 0.56 -1.24 -0.07 0.00 -0.02 0.00 0.00 33.50 32.73 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 -2.06 4.35 1.03 -1.45 -7.23 -1.26 -5.04 120.40 108.75 1ik0 s VAL 4 Ca 0.30 1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 61.91 1ik0 s VAL 4 Cb -0.00 -3.70 0.21 0.00 0.56 0.00 0.00 36.38 33.44 1ik0 s VAL 4 CO 0.40 -0.21 1.08 -2.16 -0.31 0.00 0.00 175.10 173.90 1ik0 s PRO 5 N -2.90 0.18 0.13 4.82 0.04 -1.26 -4.74 135.00 131.26 1ik0 s PRO 5 Ca 0.59 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 1ik0 s PRO 5 Cb -0.11 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 1ik0 s PRO 5 CO 0.16 -3.04 1.77 -1.00 0.04 0.00 0.00 177.00 174.93 1ik0 h PRO 6 N -2.14 0.26 -0.93 0.56 0.13 -1.99 -1.80 132.00 126.09 1ik0 h PRO 6 Ca -0.53 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1ik0 h PRO 6 Cb 1.30 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1ik0 h PRO 6 CO 0.49 0.18 0.55 0.66 -0.23 0.00 0.00 178.00 179.64 1ik0 h SER 7 N 0.27 1.12 -0.29 1.44 4.64 -1.96 -1.73 113.55 117.05 1ik0 h SER 7 Ca 0.08 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1ik0 h SER 7 Cb -0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1ik0 h SER 7 CO -0.03 0.87 -0.19 0.74 -0.87 0.00 0.00 176.83 177.34 1ik0 h THR 8 N 1.28 1.30 -0.99 2.95 2.02 -1.87 -2.46 112.91 115.14 1ik0 h THR 8 Ca 0.33 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.20 1ik0 h THR 8 Cb -0.04 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1ik0 h THR 8 CO -0.06 0.42 0.65 0.00 0.37 0.00 0.00 175.52 176.91 1ik0 h ALA 9 N 0.73 1.26 -0.06 6.16 0.00 -1.05 0.02 119.26 126.31 1ik0 h ALA 9 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ik0 h ALA 9 Cb 0.74 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ik0 h ALA 9 CO 0.05 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.24 1ik0 h LEU 10 N 1.35 0.08 -0.71 0.00 7.12 -1.20 -0.71 115.31 121.23 1ik0 h LEU 10 Ca 0.36 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.31 1ik0 h LEU 10 Cb -0.15 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 39.92 1ik0 h LEU 10 CO -0.08 0.12 0.46 0.03 -0.13 0.00 0.00 178.44 178.83 1ik0 h ARG 11 N 0.03 0.95 -0.93 1.25 3.08 -0.95 -1.15 114.38 116.66 1ik0 h ARG 11 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ik0 h ARG 11 Cb 0.05 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1ik0 h ARG 11 CO -0.00 0.65 0.54 0.93 -1.07 0.00 0.00 179.97 181.02 1ik0 h GLU 12 N 0.97 1.28 -0.31 0.04 5.08 -0.68 -1.88 114.58 119.09 1ik0 h GLU 12 Ca 0.26 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1ik0 h GLU 12 Cb -0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1ik0 h GLU 12 CO -0.05 0.91 -0.24 1.25 -1.00 0.00 0.00 179.01 179.87 1ik0 h LEU 13 N 1.29 0.75 -0.16 1.33 5.85 -0.56 -2.32 115.31 121.49 1ik0 h LEU 13 Ca 0.33 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ik0 h LEU 13 Cb -0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1ik0 h LEU 13 CO -0.06 1.04 0.11 0.40 -0.34 0.00 0.00 178.44 179.58 1ik0 h ILE 14 N 0.47 1.05 -0.92 4.05 2.04 -0.94 -1.09 117.51 122.17 1ik0 h ILE 14 Ca 0.06 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ik0 h ILE 14 Cb 0.80 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1ik0 h ILE 14 CO 0.06 0.05 0.60 -0.33 0.00 0.00 0.00 178.15 178.53 1ik0 h GLU 15 N 0.21 1.22 -0.21 2.37 5.08 -1.33 -1.96 114.58 119.96 1ik0 h GLU 15 Ca 0.06 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1ik0 h GLU 15 Cb -0.02 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1ik0 h GLU 15 CO -0.01 0.82 -0.39 1.49 -1.00 0.00 0.00 179.01 179.92 1ik0 h GLU 16 N 1.25 0.64 -0.53 2.33 4.81 -1.13 -2.50 114.58 119.45 1ik0 h GLU 16 Ca 0.34 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ik0 h GLU 16 Cb -0.12 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1ik0 h GLU 16 CO -0.07 1.02 0.28 -0.07 -0.73 0.00 0.00 179.01 179.44 1ik0 h LEU 17 N 0.33 0.66 -0.69 1.64 3.38 -1.04 -2.74 115.31 116.86 1ik0 h LEU 17 Ca 0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1ik0 h LEU 17 Cb 0.98 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1ik0 h LEU 17 CO 0.09 0.58 0.13 0.58 0.09 0.00 0.00 178.44 179.90 1ik0 h VAL 18 N 0.70 1.26 -0.08 1.22 2.07 -1.38 -1.88 116.25 118.17 1ik0 h VAL 18 Ca 0.18 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1ik0 h VAL 18 Cb 0.07 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ik0 h VAL 18 CO -0.03 0.39 0.02 -1.13 0.02 0.00 0.00 177.57 176.85 1ik0 h ASN 19 N 1.06 0.02 1.29 0.57 -1.24 -1.19 -1.11 115.58 114.98 1ik0 h ASN 19 Ca 0.21 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1ik0 h ASN 19 Cb 0.43 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1ik0 h ASN 19 CO 0.01 0.03 0.00 2.30 -1.29 0.00 0.00 177.43 178.48 1ik0 n ILE 20 N -5.07 0.48 0.15 2.57 -5.35 -1.06 -3.54 119.36 107.55 1ik0 n ILE 20 Ca -0.05 -0.17 0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1ik0 n ILE 20 Cb 0.05 -0.62 -0.11 0.00 -1.74 0.00 0.00 39.64 37.22 1ik0 n ILE 20 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ik0 n THR 21 N -2.06 0.16 0.12 7.28 -2.24 -0.71 -3.84 114.28 112.98 1ik0 n THR 21 Ca 0.06 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.19 1ik0 n THR 21 Cb 0.39 0.02 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.40 -0.39 -0.78 4.20 -1.25 -3.29 115.11 113.99 1ik0 h GLN 22 Ca 0.00 -0.68 0.00 0.00 0.06 0.00 0.00 58.65 58.03 1ik0 h GLN 22 Cb 0.93 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1ik0 h GLN 22 CO 0.00 1.31 0.00 0.09 -0.67 0.00 0.00 178.83 179.56 1ik0 n ASN 23 N -3.61 2.27 -4.70 1.46 3.02 -1.24 -4.89 115.26 107.59 1ik0 n ASN 23 Ca -0.14 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.04 1ik0 n ASN 23 Cb 1.07 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 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 -1.48 4.44 0.00 3.52 -2.07 -1.24 -4.98 119.66 117.85 1ik0 s GLN 24 Ca 0.30 1.23 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 1ik0 s GLN 24 Cb 0.16 -3.50 0.00 0.00 -1.09 0.00 0.00 33.01 28.57 1ik0 s GLN 24 CO 0.21 -0.16 0.00 1.17 -1.32 0.00 0.00 175.29 175.19 1ik0 n LYS 25 N 4.47 0.00 -2.03 9.60 4.81 -1.26 -4.95 118.16 128.81 1ik0 n LYS 25 Ca 0.05 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.19 1ik0 n LYS 25 Cb 0.50 -0.30 0.01 0.00 0.02 0.00 0.00 35.03 35.25 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 -4.40 3.14 0.27 3.14 0.00 -1.26 -4.96 121.76 117.70 1ik0 s ALA 26 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 1ik0 s ALA 26 Cb 0.00 -3.01 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 1ik0 s ALA 26 CO 0.00 -0.60 0.83 -2.30 0.00 0.00 0.00 175.76 173.69 1ik0 n PRO 27 N -2.59 0.90 -0.03 0.00 -0.02 -1.26 -4.84 135.00 127.15 1ik0 n PRO 27 Ca 0.05 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 1ik0 n PRO 27 Cb 0.54 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.62 0.21-10.38 2.45 3.38 -1.97 -3.43 115.31 107.19 1ik0 h LEU 28 Ca -0.36 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.11 1ik0 h LEU 28 Cb 1.37 -0.05 0.06 0.00 0.09 0.00 0.00 40.66 42.13 1ik0 h LEU 28 CO 0.59 0.15 0.30 0.00 0.09 0.00 0.00 178.44 179.57 1ik0 n ASN 30 N -2.66 1.94 0.00 0.00 5.03 -1.26 -4.22 115.26 114.09 1ik0 n ASN 30 Ca 0.05 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.89 1ik0 n ASN 30 Cb 0.56 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 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 2.09 0.49 3.77 7.41 0.00 -1.26 -5.00 105.19 112.68 1ik0 n GLY 31 Ca 0.04 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.71 5.88 0.17 1.61 0.01 -1.26 -4.88 113.70 112.52 1ik0 s SER 32 Ca 0.00 2.92 0.08 0.00 1.31 0.00 0.00 55.95 60.26 1ik0 s SER 32 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1ik0 s SER 32 CO 0.00 -1.17 -0.05 -0.04 0.41 0.00 0.00 173.24 172.39 1ik0 s MET 33 N -2.45 2.22 0.16 12.44 -1.94 -1.26 -2.55 119.30 125.93 1ik0 s MET 33 Ca 0.61 -1.18 0.06 0.00 -1.71 0.00 0.00 55.69 53.46 1ik0 s MET 33 Cb -0.44 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1ik0 s MET 33 CO 0.56 0.45 -0.12 0.14 -0.01 0.00 0.00 175.02 176.04 1ik0 s VAL 34 N -1.70 1.35 0.19 -6.03 -7.23 0.76 -4.83 120.40 102.91 1ik0 s VAL 34 Ca 0.26 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1ik0 s VAL 34 Cb -0.09 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 1ik0 s VAL 34 CO 0.17 -0.70 1.27 0.26 -0.31 0.00 0.00 175.10 175.79 1ik0 s TRP 35 N -3.20 3.32 0.61 2.82 0.52 -1.26 -0.13 118.94 121.61 1ik0 s TRP 35 Ca 0.18 1.30 -0.17 0.00 0.02 0.00 0.00 56.10 57.44 1ik0 s TRP 35 Cb 0.01 -3.54 -0.02 0.00 -1.15 0.00 0.00 33.47 28.77 1ik0 s TRP 35 CO 0.03 -1.62 1.11 -1.54 0.02 0.00 0.00 176.95 174.95 1ik0 s SER 36 N 0.25 5.40 0.13 2.95 1.04 -1.18 -4.87 113.70 117.42 1ik0 s SER 36 Ca 0.55 2.04 0.00 0.00 0.48 0.00 0.00 55.95 59.02 1ik0 s SER 36 Cb -0.35 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.17 1ik0 s SER 36 CO 0.38 -1.43 0.01 0.27 0.98 0.00 0.00 173.24 173.44 1ik0 s ILE 37 N -2.15 0.39 -0.28 -1.02 -4.36 -1.26 -4.93 121.20 107.59 1ik0 s ILE 37 Ca 0.69 -1.92 -0.22 0.00 -0.26 0.00 0.00 60.65 58.93 1ik0 s ILE 37 Cb -0.21 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1ik0 s ILE 37 CO 0.36 -0.60 0.72 0.21 0.24 0.00 0.00 174.94 175.87 1ik0 s ASN 38 N -3.07 6.64 -0.25 4.36 3.84 -1.26 -5.01 114.94 120.19 1ik0 s ASN 38 Ca 0.20 0.71 -0.29 0.00 0.21 0.00 0.00 52.86 53.69 1ik0 s ASN 38 Cb 0.07 -2.38 0.01 0.00 -0.55 0.00 0.00 41.25 38.40 1ik0 s ASN 38 CO -0.00 -0.49 1.04 -0.76 -2.79 0.00 0.00 177.10 174.10 1ik0 s LEU 39 N 2.73 4.06 0.00 3.21 2.01 -1.26 -4.80 118.68 124.63 1ik0 s LEU 39 Ca 0.30 1.30 0.00 0.00 0.01 0.00 0.00 54.13 55.73 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 0.10 -0.71 0.00 0.35 1.01 0.00 0.00 176.35 177.10 1ik0 n THR 40 N 5.44 0.00 0.03 5.49 -2.24 -1.26 -5.07 114.28 116.67 1ik0 n THR 40 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1ik0 n THR 40 Cb 0.46 0.00 0.00 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 -1.07 3.00 -0.23 6.98 0.00 -1.26 -4.79 120.51 123.14 1ik0 n ALA 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ik0 n ALA 41 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 2.57 1.43 0.36 0.00 0.00 -1.26 -4.20 105.19 104.09 1ik0 n GLY 42 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 2.66 1.27 -0.00 1.61 0.00 -1.89 0.10 114.93 118.68 1ik0 h MET 43 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 59.70 59.60 1ik0 h MET 43 Cb 0.46 -0.27 -0.00 0.00 0.00 0.00 0.00 31.60 31.79 1ik0 h MET 43 CO 0.01 0.87 0.00 1.88 0.00 0.00 0.00 176.91 179.67 1ik0 h TYR 44 N 1.29 0.00 -0.06 -0.22 -1.99 -1.92 0.85 116.97 114.92 1ik0 h TYR 44 Ca 0.34 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.06 1ik0 h TYR 44 Cb -0.09 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 1ik0 h TYR 44 CO 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.13 1ik0 h ALA 46 N 0.61 0.50 -0.61 0.00 0.00 -0.89 -1.68 119.26 117.18 1ik0 h ALA 46 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ik0 h ALA 46 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ik0 h ALA 46 CO 0.01 -0.02 0.25 0.00 0.00 0.00 0.00 179.25 179.49 1ik0 h ALA 47 N 1.12 1.29 -0.01 0.00 0.00 0.76 -2.92 119.26 119.50 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 -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ik0 h ALA 47 CO -0.03 0.53 0.01 1.25 0.00 0.00 0.00 179.25 181.01 1ik0 h LEU 48 N 0.88 0.01 -1.17 0.00 5.85 0.07 -2.44 115.31 118.51 1ik0 h LEU 48 Ca 0.21 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 48 Cb 0.16 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1ik0 h LEU 48 CO -0.02 0.01 0.57 1.05 -0.34 0.00 0.00 178.44 179.71 1ik0 h GLU 49 N 0.01 1.06 -0.94 1.25 4.11 -1.20 -0.96 114.58 117.91 1ik0 h GLU 49 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1ik0 h GLU 49 Cb -0.00 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 1ik0 h GLU 49 CO -0.00 0.70 0.55 0.77 0.07 0.00 0.00 179.01 181.10 1ik0 h SER 50 N 1.09 1.13 -0.09 3.06 0.02 -1.31 -2.40 113.55 115.05 1ik0 h SER 50 Ca 0.34 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 61.07 1ik0 h SER 50 Cb 0.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1ik0 h SER 50 CO -0.10 0.88 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.96 1ik0 h LEU 51 N 1.29 0.68 -1.81 5.07 3.38 -0.82 -2.86 115.31 120.25 1ik0 h LEU 51 Ca 0.33 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 58.13 1ik0 h LEU 51 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ik0 h LEU 51 CO -0.06 1.03 0.59 0.40 0.09 0.00 0.00 178.44 180.48 1ik0 h ILE 52 N 0.51 0.28 0.00 1.22 1.08 -0.68 1.52 117.51 121.45 1ik0 h ILE 52 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1ik0 h ILE 52 Cb 0.97 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1ik0 h ILE 52 CO 0.09 0.00 -0.14 0.78 -0.69 0.00 0.00 178.15 178.19 1ik0 h ASN 53 N 0.00 0.00 -3.51 1.72 -0.26 -1.51 -3.44 115.58 108.58 1ik0 h ASN 53 Ca 0.24 -0.05 -0.61 0.00 -0.56 0.00 0.00 56.30 55.33 1ik0 h ASN 53 Cb 1.41 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.55 1ik0 h ASN 53 CO -0.00 0.02 0.12 -0.69 -1.06 0.00 0.00 177.43 175.82 1ik0 s VAL 54 N -3.12 5.00 0.08 2.81 1.01 0.52 -5.05 120.40 121.65 1ik0 s VAL 54 Ca 0.09 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1ik0 s VAL 54 Cb 0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1ik0 s VAL 54 CO 0.63 0.02 -0.19 -0.44 0.00 0.00 0.00 175.10 175.13 1ik0 s SER 55 N 1.51 2.27 0.00 3.32 0.01 -1.26 -4.71 113.70 114.84 1ik0 s SER 55 Ca 0.25 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1ik0 s SER 55 Cb -0.15 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1ik0 s SER 55 CO 0.09 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1ik0 n GLY 56 N 1.32 0.77 3.36 3.44 0.00 -1.26 -5.00 105.19 107.82 1ik0 n GLY 56 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 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 7.95 0.33 0.00 0.00 0.87 -1.95 -3.21 113.55 117.54 1ik0 h SER 58 Ca 0.13 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ik0 h SER 58 Cb 1.03 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ik0 h SER 58 CO 0.86 1.09 0.40 0.00 -0.53 0.00 0.00 176.83 178.65 1ik0 n ALA 59 N -2.48 0.32 -0.95 6.23 0.00 -1.26 0.15 120.51 122.52 1ik0 n ALA 59 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1ik0 n ALA 59 Cb 0.83 -0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.97 1ik0 n ALA 59 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ik0 n ILE 60 N -1.43 0.77 -0.07 0.00 -5.35 -1.21 -4.79 119.36 107.27 1ik0 n ILE 60 Ca -0.00 -0.87 -0.09 0.00 -0.27 0.00 0.00 62.75 61.52 1ik0 n ILE 60 Cb 0.41 0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 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 0.00 0.34 -0.77 6.28 4.81 0.13 -1.28 114.58 124.10 1ik0 h GLU 61 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ik0 h GLU 61 Cb 0.94 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1ik0 h GLU 61 CO 0.00 0.23 0.45 0.87 -0.73 0.00 0.00 179.01 179.83 1ik0 h LYS 62 N 0.35 1.04 -0.98 1.92 1.57 -1.87 -1.97 116.57 116.64 1ik0 h LYS 62 Ca 0.10 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1ik0 h LYS 62 Cb -0.02 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 1ik0 h LYS 62 CO -0.04 0.73 0.64 1.15 -0.57 0.00 0.00 179.45 181.37 1ik0 h THR 63 N 1.06 1.20 -0.96 -0.16 2.02 -1.59 -1.16 112.91 113.31 1ik0 h THR 63 Ca 0.27 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ik0 h THR 63 Cb -0.03 -0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.15 1ik0 h THR 63 CO -0.05 0.23 0.63 1.56 0.37 0.00 0.00 175.52 178.26 1ik0 h GLN 64 N 1.27 1.27 -0.07 6.66 4.20 -0.55 -0.93 115.11 126.96 1ik0 h GLN 64 Ca 0.38 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ik0 h GLN 64 Cb -0.05 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.44 1ik0 h GLN 64 CO -0.11 0.85 0.02 -0.09 -0.67 0.00 0.00 178.83 178.83 1ik0 h ARG 65 N 1.31 0.10 -0.98 1.46 2.43 -1.06 -1.10 114.38 116.54 1ik0 h ARG 65 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1ik0 h ARG 65 Cb -0.14 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 1ik0 h ARG 65 CO -0.07 0.25 0.63 0.52 -1.51 0.00 0.00 179.97 179.78 1ik0 h MET 66 N -0.07 1.31 -0.89 0.20 2.86 -0.98 -0.99 114.93 116.36 1ik0 h MET 66 Ca 0.02 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ik0 h MET 66 Cb 0.19 -0.29 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1ik0 h MET 66 CO -0.00 0.88 0.48 -0.07 1.06 0.00 0.00 176.91 179.26 1ik0 h LEU 67 N 1.34 1.13 -1.06 1.22 3.38 -0.95 -1.44 115.31 118.93 1ik0 h LEU 67 Ca 0.36 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1ik0 h LEU 67 Cb -0.12 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.30 1ik0 h LEU 67 CO -0.07 0.92 0.64 0.28 0.09 0.00 0.00 178.44 180.29 1ik0 h SER 68 N 1.26 1.10 -0.93 -0.43 0.02 0.05 -0.04 113.55 114.57 1ik0 h SER 68 Ca 0.31 -0.03 0.26 0.00 -0.84 0.00 0.00 61.79 61.49 1ik0 h SER 68 Cb 0.05 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 1ik0 h SER 68 CO -0.05 0.79 0.65 1.23 -1.14 0.00 0.00 176.83 178.32 1ik0 h GLY 69 N 1.29 0.22 -0.44 -3.77 0.00 -0.18 1.47 103.07 101.66 1ik0 h GLY 69 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ik0 h GLY 69 CO -0.08 -0.01 -0.38 0.69 0.00 0.00 0.00 176.54 176.76 1ik0 n PHE 70 N -4.32 0.00 -3.41 5.60 3.72 -0.13 -4.55 117.46 114.37 1ik0 n PHE 70 Ca 0.20 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.33 1ik0 n PHE 70 Cb 0.94 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 39.32 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 5.65 0.00 -5.70 0.00 0.11 -1.70 -3.39 132.00 126.97 1ik0 h PRO 72 Ca 0.26 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.74 1ik0 h PRO 72 Cb 0.91 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.89 1ik0 h PRO 72 CO 0.38 0.00 0.30 -3.38 -0.21 0.00 0.00 178.00 175.09 1ik0 s HIS 73 N -4.28 3.03 0.39 0.65 -3.43 -1.26 -5.03 115.29 105.36 1ik0 s HIS 73 Ca -0.04 0.20 -0.24 0.00 -0.80 0.00 0.00 55.06 54.17 1ik0 s HIS 73 Cb 0.12 -3.53 -0.09 0.00 -1.43 0.00 0.00 32.58 27.65 1ik0 s HIS 73 CO 0.41 -0.90 1.02 0.15 -2.00 0.00 0.00 174.74 173.41 1ik0 s LYS 74 N 3.14 4.25 -0.11 -0.38 1.02 -1.26 -5.05 119.74 121.35 1ik0 s LYS 74 Ca 0.28 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1ik0 s LYS 74 Cb -0.13 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1ik0 s LYS 74 CO 0.21 -0.05 -0.11 0.08 -0.92 0.00 0.00 175.35 174.56 1ik0 s VAL 75 N -1.72 3.24 0.54 3.17 1.01 -1.26 -5.12 120.40 120.26 1ik0 s VAL 75 Ca 0.57 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1ik0 s VAL 75 Cb -0.20 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1ik0 s VAL 75 CO 0.25 0.54 0.79 -0.44 0.00 0.00 0.00 175.10 176.24 1ik0 s SER 76 N 0.03 5.52 0.15 3.32 0.01 -1.26 -4.94 113.70 116.53 1ik0 s SER 76 Ca -0.03 0.32 0.13 0.00 1.31 0.00 0.00 55.95 57.68 1ik0 s SER 76 Cb -0.14 -1.34 0.66 0.00 0.21 0.00 0.00 66.02 65.41 1ik0 s SER 76 CO 0.04 -1.00 1.42 0.00 0.41 0.00 0.00 173.24 174.10 1ik0 n ALA 77 N -2.35 1.22 -0.01 1.44 0.00 -1.26 -1.74 120.51 117.81 1ik0 n ALA 77 Ca 0.05 0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1ik0 n ALA 77 Cb 0.58 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.96 -0.76 3.70 0.00 0.00 -1.26 -4.84 105.19 101.07 1ik0 n GLY 78 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.57 4.30 0.05 1.61 -1.52 -0.71 -5.07 119.66 115.74 1ik0 s GLN 79 Ca -0.14 0.49 0.05 0.00 -1.95 0.00 0.00 55.36 53.81 1ik0 s GLN 79 Cb 0.07 -3.48 -0.02 0.00 -0.22 0.00 0.00 33.01 29.35 1ik0 s GLN 79 CO 0.79 0.03 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.65 1ik0 s PHE 80 N 1.03 1.30 0.00 0.91 0.08 -1.26 -4.25 117.98 115.79 1ik0 s PHE 80 Ca 0.27 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1ik0 s PHE 80 Cb -0.15 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1ik0 s PHE 80 CO 0.11 0.05 0.00 0.43 -0.10 0.00 0.00 175.22 175.71 1ik0 n SER 81 N 1.74 1.17 -0.22 1.36 7.64 -1.26 -4.84 113.62 119.21 1ik0 n SER 81 Ca -0.19 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.80 1ik0 n SER 81 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.78 1.45 -1.04 6.43 2.88 -1.26 -4.33 113.62 114.96 1ik0 n SER 82 Ca 0.00 -1.22 -0.02 0.00 -1.33 0.00 0.00 58.87 56.30 1ik0 n SER 82 Cb 0.46 0.77 0.02 0.00 -0.75 0.00 0.00 64.21 64.70 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 -0.86 3.07 0.03 2.46 4.77 -1.26 -3.94 117.00 121.27 1ik0 n LEU 83 Ca 0.06 -1.55 -0.19 0.00 -0.03 0.00 0.00 56.01 54.30 1ik0 n LEU 83 Cb 0.39 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1ik0 n LEU 83 CO 0.37 0.51 0.13 0.45 -1.33 0.00 0.00 177.39 177.51 1ik0 h HIS 84 N 0.12 1.01 -3.98 -1.77 3.86 -1.94 -3.44 115.15 109.00 1ik0 h HIS 84 Ca 0.05 -0.53 -0.47 0.00 -1.16 0.00 0.00 60.37 58.26 1ik0 h HIS 84 Cb 1.09 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.44 1ik0 h HIS 84 CO 0.13 1.36 0.38 0.14 0.86 0.00 0.00 177.93 180.80 1ik0 s VAL 85 N -3.40 3.94 -1.28 2.45 -7.23 -1.25 -4.94 120.40 108.68 1ik0 s VAL 85 Ca -0.09 1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 61.41 1ik0 s VAL 85 Cb 0.07 -3.70 0.16 0.00 0.56 0.00 0.00 36.38 33.48 1ik0 s VAL 85 CO 0.91 -0.06 1.97 0.54 -0.31 0.00 0.00 175.10 178.15 1ik0 n ARG 86 N -0.16 3.85 -2.21 4.82 1.74 -1.26 -4.97 116.66 118.46 1ik0 n ARG 86 Ca 0.05 -3.55 -0.26 0.00 -0.77 0.00 0.00 57.85 53.33 1ik0 n ARG 86 Cb 0.51 -2.85 0.07 0.00 -1.02 0.00 0.00 32.46 29.17 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 0.64 4.81 0.43 0.55 1.01 -1.26 -5.07 116.67 117.78 1ik0 s ASP 87 Ca 0.42 0.43 -0.03 0.00 0.71 0.00 0.00 52.55 54.08 1ik0 s ASP 87 Cb 0.11 -1.09 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 1ik0 s ASP 87 CO -0.01 -1.60 0.70 0.42 0.21 0.00 0.00 175.17 174.90 1ik0 s THR 88 N -3.24 4.98 0.42 -1.27 -4.23 -1.26 -4.86 115.64 106.19 1ik0 s THR 88 Ca 0.60 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1ik0 s THR 88 Cb -0.11 -3.86 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 1ik0 s THR 88 CO 0.45 -0.75 0.77 -0.54 -0.54 0.00 0.00 174.62 174.01 1ik0 s LYS 89 N -4.58 3.72 0.19 3.99 1.02 -1.26 -3.13 119.74 119.68 1ik0 s LYS 89 Ca 0.45 0.40 0.05 0.00 0.02 0.00 0.00 55.97 56.89 1ik0 s LYS 89 Cb -0.10 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1ik0 s LYS 89 CO 0.42 -0.08 -0.09 0.96 -0.92 0.00 0.00 175.35 175.64 1ik0 s ILE 90 N -2.46 1.28 0.48 2.17 -4.36 0.81 -4.84 121.20 114.28 1ik0 s ILE 90 Ca 0.50 -2.09 -0.23 0.00 -0.26 0.00 0.00 60.65 58.57 1ik0 s ILE 90 Cb -0.10 -2.03 -0.07 0.00 1.25 0.00 0.00 42.46 41.50 1ik0 s ILE 90 CO 0.35 -0.60 1.27 -1.61 0.24 0.00 0.00 174.94 174.59 1ik0 s GLU 91 N -3.75 3.58 0.25 0.37 2.02 -1.26 -0.17 118.70 119.73 1ik0 s GLU 91 Ca 0.21 2.03 -0.06 0.00 0.02 0.00 0.00 54.97 57.17 1ik0 s GLU 91 Cb 0.03 -2.43 0.29 0.00 0.10 0.00 0.00 34.13 32.12 1ik0 s GLU 91 CO 0.04 -0.77 1.90 0.28 0.02 0.00 0.00 175.26 176.73 1ik0 h VAL 92 N 1.85 1.18 -0.98 2.63 2.07 -1.83 -1.50 116.25 119.67 1ik0 h VAL 92 Ca -0.50 -0.42 0.17 0.00 0.82 0.00 0.00 66.70 66.78 1ik0 h VAL 92 Cb 1.27 -0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1ik0 h VAL 92 CO 0.60 0.22 0.59 0.00 0.02 0.00 0.00 177.57 178.99 1ik0 h ALA 93 N 1.38 1.58 -0.04 1.67 0.00 -1.91 0.17 119.26 122.12 1ik0 h ALA 93 Ca 0.37 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.14 1ik0 h ALA 93 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ik0 h ALA 93 CO -0.11 -0.01 -0.85 1.96 0.00 0.00 0.00 179.25 180.23 1ik0 h GLN 94 N 0.78 0.44 -0.08 0.00 4.20 -1.68 -2.88 115.11 115.89 1ik0 h GLN 94 Ca 0.55 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ik0 h GLN 94 Cb 0.80 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1ik0 h GLN 94 CO -0.36 1.07 0.05 0.35 -0.67 0.00 0.00 178.83 179.26 1ik0 h PHE 95 N 0.27 0.09 -0.27 2.96 3.04 0.18 -0.51 116.94 122.70 1ik0 h PHE 95 Ca -0.06 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1ik0 h PHE 95 Cb 1.46 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.93 1ik0 h PHE 95 CO 0.06 0.06 0.11 0.28 -2.02 0.00 0.00 178.31 176.79 1ik0 h VAL 96 N 0.10 1.18 -0.48 1.41 2.07 -1.04 -2.25 116.25 117.24 1ik0 h VAL 96 Ca 0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ik0 h VAL 96 Cb -0.01 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1ik0 h VAL 96 CO -0.01 0.18 0.27 0.11 0.02 0.00 0.00 177.57 178.14 1ik0 h LYS 97 N 0.29 0.66 -0.98 1.57 1.57 -1.35 -1.30 116.57 117.04 1ik0 h LYS 97 Ca 0.09 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ik0 h LYS 97 Cb 0.19 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1ik0 h LYS 97 CO -0.01 0.51 0.65 -0.44 -0.57 0.00 0.00 179.45 179.60 1ik0 h ASP 98 N 0.63 1.13 -0.75 0.86 3.32 -0.99 -1.33 116.42 119.30 1ik0 h ASP 98 Ca 0.17 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1ik0 h ASP 98 Cb 0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 1ik0 h ASP 98 CO -0.03 0.82 0.35 0.25 -1.72 0.00 0.00 179.24 178.92 1ik0 h LEU 99 N 1.33 1.00 -0.86 1.55 5.85 -0.89 -2.70 115.31 120.59 1ik0 h LEU 99 Ca 0.36 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1ik0 h LEU 99 Cb -0.15 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.56 1ik0 h LEU 99 CO -0.08 0.85 0.54 0.25 -0.34 0.00 0.00 178.44 179.66 1ik0 h LEU 100 N 1.09 0.85 -0.58 2.25 5.85 -0.09 -0.07 115.31 124.61 1ik0 h LEU 100 Ca 0.26 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1ik0 h LEU 100 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ik0 h LEU 100 CO -0.03 0.55 0.38 -0.07 -0.34 0.00 0.00 178.44 178.93 1ik0 h LEU 101 N 0.98 0.67 -0.49 2.25 -0.00 -1.24 -2.68 115.31 114.79 1ik0 h LEU 101 Ca 0.37 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 58.08 1ik0 h LEU 101 Cb 0.16 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ik0 h LEU 101 CO -0.17 0.48 -0.43 0.45 -0.00 0.00 0.00 178.44 178.78 1ik0 h HIS 102 N 0.78 0.92 0.07 1.13 3.86 -1.35 -2.37 115.15 118.18 1ik0 h HIS 102 Ca 0.21 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ik0 h HIS 102 Cb -0.09 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1ik0 h HIS 102 CO -0.03 1.05 -0.08 -0.07 0.86 0.00 0.00 177.93 179.66 1ik0 h LEU 103 N 0.61 -0.20 -1.45 2.43 3.38 -0.71 -1.09 115.31 118.29 1ik0 h LEU 103 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ik0 h LEU 103 Cb 0.99 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ik0 h LEU 103 CO 0.09 -0.12 -0.07 0.07 0.09 0.00 0.00 178.44 178.50 1ik0 h LYS 104 N -0.16 0.00 0.15 1.13 2.10 -1.56 -2.99 116.57 115.24 1ik0 h LYS 104 Ca 0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1ik0 h LYS 104 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1ik0 h LYS 104 CO -0.03 0.07 -0.07 -0.22 -2.00 0.00 0.00 179.45 177.20 1ik0 h LYS 105 N 0.00 -0.19 -0.27 0.07 3.64 -0.67 -2.64 116.57 116.51 1ik0 h LYS 105 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ik0 h LYS 105 Cb 0.55 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1ik0 h LYS 105 CO 0.01 0.11 0.08 -0.07 -2.27 0.00 0.00 179.45 177.31 1ik0 h LEU 106 N -0.51 0.34 -0.99 5.20 -0.00 -1.30 -1.97 115.31 116.09 1ik0 h LEU 106 Ca -0.02 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1ik0 h LEU 106 Cb 0.40 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.92 1ik0 h LEU 106 CO 0.03 0.33 0.65 0.15 -0.00 0.00 0.00 178.44 179.61 1ik0 h PHE 107 N 0.38 1.24 -0.31 1.13 3.57 -1.36 -0.30 116.94 121.29 1ik0 h PHE 107 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ik0 h PHE 107 Cb 0.12 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1ik0 h PHE 107 CO 0.00 0.78 0.06 0.00 -2.23 0.00 0.00 178.31 176.93 1ik0 h ARG 108 N 1.33 0.46 0.00 1.11 3.08 -1.00 -1.48 114.38 117.88 1ik0 h ARG 108 Ca 0.36 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1ik0 h ARG 108 Cb -0.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1ik0 h ARG 108 CO -0.08 0.44 -0.26 0.39 -1.07 0.00 0.00 179.97 179.38 1ik0 n GLU 109 N -4.35 0.18 -0.79 0.04 -0.58 -0.54 -4.90 120.64 109.69 1ik0 n GLU 109 Ca 0.01 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1ik0 n GLU 109 Cb 0.18 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 0.32 3.37 0.62 0.00 -0.23 -4.92 105.19 105.73 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 -0.83 3.06 -0.01 1.61 0.52 -1.23 -5.03 118.95 117.04 1ik0 s ARG 111 Ca 0.00 -1.36 -0.15 0.00 -0.52 0.00 0.00 55.73 53.70 1ik0 s ARG 111 Cb 0.00 -4.28 -0.06 0.00 0.52 0.00 0.00 34.95 31.13 1ik0 s ARG 111 CO 0.00 -1.54 0.42 -0.06 0.02 0.00 0.00 175.30 174.14 1ik0 s PHE 112 N 2.61 3.71 0.00 -0.53 0.08 -1.26 -4.84 117.98 117.75 1ik0 s PHE 112 Ca 0.12 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1ik0 s PHE 112 Cb -0.24 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1ik0 s PHE 112 CO 0.06 0.60 0.00 0.09 -0.10 0.00 0.00 175.22 175.87