#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 0.67 3.03 0.00 -1.26 -4.96 107.32 106.40 1ik0 s GLY 2 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.36 1ik0 s GLY 2 CO 0.00 0.33 0.64 -1.05 0.00 0.00 0.00 173.10 173.02 1ik0 n PRO 3 N -3.91 0.45 -2.94 2.90 -0.02 -1.26 -4.97 135.00 125.26 1ik0 n PRO 3 Ca 0.06 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1ik0 n PRO 3 Cb 0.56 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.80 4.52 1.13 -1.45 -7.23 -1.26 -5.04 120.40 109.27 1ik0 s VAL 4 Ca 0.69 1.24 -0.12 0.00 -1.81 0.00 0.00 61.98 61.97 1ik0 s VAL 4 Cb -0.38 -3.61 0.27 0.00 0.56 0.00 0.00 36.38 33.22 1ik0 s VAL 4 CO 0.55 -0.28 1.05 -2.16 -0.31 0.00 0.00 175.10 173.94 1ik0 s PRO 5 N -3.14 -0.67 0.02 4.82 0.04 -1.26 -4.78 135.00 130.02 1ik0 s PRO 5 Ca 0.58 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 1ik0 s PRO 5 Cb -0.10 -1.57 -0.18 0.00 0.04 0.00 0.00 34.50 32.70 1ik0 s PRO 5 CO 0.16 -3.62 1.41 -1.00 0.04 0.00 0.00 177.00 174.00 1ik0 h PRO 6 N -2.56 -0.11 -0.94 0.56 0.13 -1.99 -2.24 132.00 124.86 1ik0 h PRO 6 Ca -0.58 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1ik0 h PRO 6 Cb 1.32 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 1ik0 h PRO 6 CO 0.48 0.19 0.62 0.66 -0.23 0.00 0.00 178.00 179.72 1ik0 h SER 7 N -0.41 1.07 -0.51 1.44 4.64 -1.97 -2.13 113.55 115.69 1ik0 h SER 7 Ca -0.01 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 1ik0 h SER 7 Cb 0.35 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1ik0 h SER 7 CO 0.02 0.78 -0.12 0.74 -0.87 0.00 0.00 176.83 177.38 1ik0 h THR 8 N 1.27 1.27 -0.31 2.95 2.02 -1.92 -2.64 112.91 115.54 1ik0 h THR 8 Ca 0.34 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1ik0 h THR 8 Cb -0.14 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1ik0 h THR 8 CO -0.08 0.44 0.20 0.00 0.37 0.00 0.00 175.52 176.46 1ik0 h ALA 9 N 0.90 0.39 -0.08 6.16 0.00 -0.78 0.09 119.26 125.94 1ik0 h ALA 9 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ik0 h ALA 9 Cb 0.68 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ik0 h ALA 9 CO 0.05 -0.14 0.05 1.25 0.00 0.00 0.00 179.25 180.46 1ik0 h LEU 10 N 0.41 0.09 -0.81 0.00 5.85 -1.34 0.52 115.31 120.04 1ik0 h LEU 10 Ca 0.11 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ik0 h LEU 10 Cb -0.04 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1ik0 h LEU 10 CO -0.02 0.07 0.53 0.03 -0.34 0.00 0.00 178.44 178.71 1ik0 h ARG 11 N 0.10 1.06 -0.66 1.25 3.08 -1.24 0.13 114.38 118.10 1ik0 h ARG 11 Ca 0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1ik0 h ARG 11 Cb -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1ik0 h ARG 11 CO -0.01 0.70 0.22 0.93 -1.07 0.00 0.00 179.97 180.74 1ik0 h GLU 12 N 1.09 1.00 -0.26 0.04 4.39 -0.59 -1.84 114.58 118.42 1ik0 h GLU 12 Ca 0.29 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1ik0 h GLU 12 Cb -0.13 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.36 1ik0 h GLU 12 CO -0.06 0.85 -0.28 1.25 -1.16 0.00 0.00 179.01 179.61 1ik0 h LEU 13 N 0.97 0.69 -0.02 1.33 5.85 0.07 -2.04 115.31 122.17 1ik0 h LEU 13 Ca 0.22 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1ik0 h LEU 13 Cb 0.26 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ik0 h LEU 13 CO -0.01 1.03 0.01 0.40 -0.34 0.00 0.00 178.44 179.54 1ik0 h ILE 14 N 0.37 1.01 -1.01 4.05 2.04 -0.55 -0.30 117.51 123.13 1ik0 h ILE 14 Ca 0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1ik0 h ILE 14 Cb 0.85 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1ik0 h ILE 14 CO 0.07 0.01 0.67 -0.33 0.00 0.00 0.00 178.15 178.56 1ik0 h GLU 15 N 0.03 1.33 -0.33 2.37 4.39 -1.35 -2.07 114.58 118.95 1ik0 h GLU 15 Ca 0.01 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1ik0 h GLU 15 Cb -0.00 -0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 28.34 1ik0 h GLU 15 CO -0.00 0.88 -0.22 1.49 -1.16 0.00 0.00 179.01 180.00 1ik0 h GLU 16 N 1.37 0.73 -0.87 2.33 4.57 -0.96 -2.36 114.58 119.39 1ik0 h GLU 16 Ca 0.37 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1ik0 h GLU 16 Cb -0.16 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1ik0 h GLU 16 CO -0.08 0.96 0.44 -0.07 -1.18 0.00 0.00 179.01 179.08 1ik0 h LEU 17 N 0.50 1.13 -0.36 1.64 3.38 -0.75 -2.64 115.31 118.21 1ik0 h LEU 17 Ca 0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1ik0 h LEU 17 Cb 0.77 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ik0 h LEU 17 CO 0.06 0.93 0.01 0.58 0.09 0.00 0.00 178.44 180.11 1ik0 h VAL 18 N 1.24 1.26 -0.90 1.22 2.07 -1.31 -2.74 116.25 117.08 1ik0 h VAL 18 Ca 0.30 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1ik0 h VAL 18 Cb 0.09 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1ik0 h VAL 18 CO -0.04 0.32 0.60 -1.13 0.02 0.00 0.00 177.57 177.34 1ik0 h ASN 19 N 0.45 1.04 1.39 0.57 -1.24 -1.18 0.23 115.58 116.85 1ik0 h ASN 19 Ca 0.10 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 1ik0 h ASN 19 Cb 0.45 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1ik0 h ASN 19 CO 0.02 0.76 -0.25 0.16 -1.29 0.00 0.00 177.43 176.83 1ik0 h ILE 20 N 1.23 0.48 0.00 2.57 3.07 -1.43 -3.26 117.51 120.16 1ik0 h ILE 20 Ca 0.33 -1.41 0.00 0.00 1.55 0.00 0.00 64.86 65.33 1ik0 h ILE 20 Cb -0.14 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1ik0 h ILE 20 CO -0.07 0.24 -1.49 0.35 -1.05 0.00 0.00 178.15 176.13 1ik0 n THR 21 N -3.24 0.08 0.03 0.16 -2.24 -1.00 -3.76 114.28 104.31 1ik0 n THR 21 Ca 0.02 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 1ik0 n THR 21 Cb 0.55 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.71 -0.43 -0.78 1.08 -1.00 -3.27 115.11 111.42 1ik0 h GLN 22 Ca 0.00 -0.74 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 1ik0 h GLN 22 Cb 0.82 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1ik0 h GLN 22 CO 0.00 1.32 0.00 0.27 -0.95 0.00 0.00 178.83 179.47 1ik0 n ASN 23 N -3.86 3.01 -4.71 1.46 6.94 -1.24 -4.92 115.26 111.94 1ik0 n ASN 23 Ca -0.11 -1.94 -0.41 0.00 -0.02 0.00 0.00 54.58 52.10 1ik0 n ASN 23 Cb 0.87 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.97 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ik0 s GLN 24 N -1.44 4.50 0.00 -3.83 -2.07 -1.24 -4.98 119.66 110.61 1ik0 s GLN 24 Ca 0.38 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 55.09 1ik0 s GLN 24 Cb 0.21 -3.45 0.00 0.00 -1.09 0.00 0.00 33.01 28.68 1ik0 s GLN 24 CO 0.29 0.00 0.00 1.17 -1.32 0.00 0.00 175.29 175.43 1ik0 n LYS 25 N 3.84 0.00 -2.33 9.60 4.81 -1.26 -4.95 118.16 127.88 1ik0 n LYS 25 Ca 0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.15 1ik0 n LYS 25 Cb 0.51 -0.25 -0.02 0.00 0.02 0.00 0.00 35.03 35.29 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 -4.49 3.13 0.29 3.14 0.00 -1.26 -4.97 121.76 117.60 1ik0 s ALA 26 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1ik0 s ALA 26 Cb 0.00 -3.03 -0.15 0.00 0.00 0.00 0.00 23.12 19.93 1ik0 s ALA 26 CO 0.00 -0.33 0.57 -2.30 0.00 0.00 0.00 175.76 173.70 1ik0 n PRO 27 N -1.87 0.42 -0.18 0.00 -0.02 -1.26 -4.84 135.00 127.23 1ik0 n PRO 27 Ca 0.06 0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1ik0 n PRO 27 Cb 0.54 -1.29 0.02 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.08 0.66-10.37 2.45 3.38 -1.97 -3.43 115.31 107.11 1ik0 h LEU 28 Ca -0.34 -0.09 -0.48 0.00 0.09 0.00 0.00 57.88 57.06 1ik0 h LEU 28 Cb 1.41 -0.17 0.05 0.00 0.09 0.00 0.00 40.66 42.04 1ik0 h LEU 28 CO 0.55 0.56 0.13 0.00 0.09 0.00 0.00 178.44 179.77 1ik0 n ASN 30 N -2.41 1.91 0.00 0.00 3.02 -1.26 -4.17 115.26 112.34 1ik0 n ASN 30 Ca 0.03 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1ik0 n ASN 30 Cb 0.57 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 2.41 0.38 3.76 7.41 0.00 -1.26 -5.00 105.19 112.88 1ik0 n GLY 31 Ca 0.09 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.00 5.50 0.21 1.61 0.01 -1.26 -4.90 113.70 111.88 1ik0 s SER 32 Ca 0.00 2.65 0.09 0.00 1.31 0.00 0.00 55.95 60.00 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 -1.40 -0.07 -0.04 0.41 0.00 0.00 173.24 172.14 1ik0 s MET 33 N -2.85 2.12 0.17 12.44 -1.94 -1.26 -2.68 119.30 125.29 1ik0 s MET 33 Ca 0.69 -1.34 0.05 0.00 -1.71 0.00 0.00 55.69 53.39 1ik0 s MET 33 Cb -0.37 -2.14 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 1ik0 s MET 33 CO 0.44 0.41 -0.11 0.14 -0.01 0.00 0.00 175.02 175.89 1ik0 s VAL 34 N -1.95 1.35 0.04 -6.03 -7.23 0.29 -4.88 120.40 101.98 1ik0 s VAL 34 Ca 0.27 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1ik0 s VAL 34 Cb -0.08 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1ik0 s VAL 34 CO 0.17 -0.70 1.14 0.26 -0.31 0.00 0.00 175.10 175.66 1ik0 s TRP 35 N -3.22 3.49 0.29 2.82 0.52 -1.26 -0.45 118.94 121.13 1ik0 s TRP 35 Ca 0.19 1.41 -0.29 0.00 0.02 0.00 0.00 56.10 57.42 1ik0 s TRP 35 Cb 0.02 -3.33 -0.10 0.00 -1.15 0.00 0.00 33.47 28.90 1ik0 s TRP 35 CO 0.03 -0.92 1.26 0.45 0.02 0.00 0.00 176.95 177.78 1ik0 s SER 36 N 1.06 6.92 0.24 2.95 0.15 -0.54 -4.88 113.70 119.60 1ik0 s SER 36 Ca 0.57 2.52 0.06 0.00 0.70 0.00 0.00 55.95 59.80 1ik0 s SER 36 Cb -0.27 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.35 1ik0 s SER 36 CO 0.29 -0.43 -0.06 0.27 1.20 0.00 0.00 173.24 174.50 1ik0 s ILE 37 N -0.87 1.45 -0.16 6.45 -4.36 -1.26 -4.69 121.20 117.75 1ik0 s ILE 37 Ca 0.49 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 58.53 1ik0 s ILE 37 Cb -0.37 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1ik0 s ILE 37 CO 0.47 -0.39 0.79 0.21 0.24 0.00 0.00 174.94 176.26 1ik0 s ASN 38 N -3.36 6.92 -0.31 4.36 3.84 -1.26 -5.00 114.94 120.14 1ik0 s ASN 38 Ca 0.27 1.13 -0.29 0.00 0.21 0.00 0.00 52.86 54.18 1ik0 s ASN 38 Cb 0.03 -2.44 0.01 0.00 -0.55 0.00 0.00 41.25 38.31 1ik0 s ASN 38 CO 0.09 -0.36 1.14 -0.76 -2.79 0.00 0.00 177.10 174.42 1ik0 s LEU 39 N 1.99 3.93 0.00 3.21 2.01 -1.26 -4.88 118.68 123.68 1ik0 s LEU 39 Ca 0.37 1.11 0.00 0.00 0.01 0.00 0.00 54.13 55.62 1ik0 s LEU 39 Cb -0.17 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.49 1ik0 s LEU 39 CO 0.13 -0.92 0.00 0.35 1.01 0.00 0.00 176.35 176.92 1ik0 n THR 40 N 5.93 0.00 0.00 5.49 -2.24 -1.26 -5.07 114.28 117.13 1ik0 n THR 40 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ik0 n THR 40 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.00 -0.10 6.98 0.00 -1.26 -4.40 120.51 118.72 1ik0 n ALA 41 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ik0 n ALA 41 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 2.38 0.95 0.36 0.00 0.00 -1.26 -4.25 105.19 103.38 1ik0 n GLY 42 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 3.86 1.27 -0.35 1.61 0.00 -1.92 -0.33 114.93 119.07 1ik0 h MET 43 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 59.70 59.59 1ik0 h MET 43 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 31.60 31.51 1ik0 h MET 43 CO 0.09 0.92 0.18 1.88 0.00 0.00 0.00 176.91 179.97 1ik0 h TYR 44 N 1.28 0.32 -0.09 -0.22 -1.99 -1.92 1.22 116.97 115.57 1ik0 h TYR 44 Ca 0.32 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.04 1ik0 h TYR 44 Cb 0.02 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 1ik0 h TYR 44 CO 0.01 0.17 -0.05 0.00 -0.00 0.00 0.00 178.16 178.29 1ik0 h ALA 46 N 0.62 0.25 -0.71 0.00 0.00 -0.76 -2.04 119.26 116.63 1ik0 h ALA 46 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ik0 h ALA 46 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ik0 h ALA 46 CO 0.01 -0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.29 1ik0 h ALA 47 N 1.02 1.12 0.00 0.00 0.00 0.15 -2.85 119.26 118.70 1ik0 h ALA 47 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ik0 h ALA 47 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ik0 h ALA 47 CO -0.01 0.62 -0.00 1.25 0.00 0.00 0.00 179.25 181.11 1ik0 h LEU 48 N 1.03 -0.00 -1.38 0.00 5.85 -0.38 -2.50 115.31 117.93 1ik0 h LEU 48 Ca 0.24 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 48 Cb 0.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1ik0 h LEU 48 CO -0.02 -0.00 0.42 1.05 -0.34 0.00 0.00 178.44 179.56 1ik0 h GLU 49 N -0.00 0.84 -0.86 1.25 4.11 -1.26 -1.51 114.58 117.14 1ik0 h GLU 49 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1ik0 h GLU 49 Cb 0.00 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1ik0 h GLU 49 CO -0.00 0.55 0.51 0.77 0.07 0.00 0.00 179.01 180.92 1ik0 h SER 50 N 0.86 1.03 0.31 3.06 0.02 -1.23 -2.03 113.55 115.57 1ik0 h SER 50 Ca 0.23 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1ik0 h SER 50 Cb -0.09 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 1ik0 h SER 50 CO -0.05 0.80 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.89 1ik0 h LEU 51 N 1.18 0.22 -1.97 5.07 3.38 -0.92 -2.81 115.31 119.47 1ik0 h LEU 51 Ca 0.31 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1ik0 h LEU 51 Cb -0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ik0 h LEU 51 CO -0.06 0.67 0.43 0.40 0.09 0.00 0.00 178.44 179.97 1ik0 h ILE 52 N 0.17 0.31 0.00 1.22 1.08 -0.54 1.29 117.51 121.04 1ik0 h ILE 52 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1ik0 h ILE 52 Cb 0.91 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1ik0 h ILE 52 CO 0.07 0.00 -0.15 0.59 -0.69 0.00 0.00 178.15 177.98 1ik0 n ASN 53 N -3.58 0.25 -4.65 1.72 3.02 -1.06 -4.74 115.26 106.22 1ik0 n ASN 53 Ca 0.06 0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 54.54 1ik0 n ASN 53 Cb 0.58 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.02 5.09 0.13 2.41 1.01 0.44 -5.06 120.40 121.41 1ik0 s VAL 54 Ca 0.12 0.94 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1ik0 s VAL 54 Cb 0.18 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1ik0 s VAL 54 CO 0.59 0.15 -0.14 -0.44 0.00 0.00 0.00 175.10 175.25 1ik0 s SER 55 N 1.25 2.10 0.00 3.32 0.01 -1.26 -4.80 113.70 114.32 1ik0 s SER 55 Ca 0.23 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1ik0 s SER 55 Cb -0.15 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1ik0 s SER 55 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1ik0 n GLY 56 N 0.41 0.82 2.59 3.44 0.00 -1.26 -4.93 105.19 106.26 1ik0 n GLY 56 Ca -0.14 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 7.54 0.78 -0.19 0.00 0.87 -1.96 -3.11 113.55 117.48 1ik0 h SER 58 Ca -0.03 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.22 1ik0 h SER 58 Cb 1.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1ik0 h SER 58 CO 0.30 1.10 0.52 0.00 -0.53 0.00 0.00 176.83 178.23 1ik0 h ALA 59 N 0.93 1.77 -0.00 6.23 0.00 -1.95 0.17 119.26 126.41 1ik0 h ALA 59 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ik0 h ALA 59 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ik0 h ALA 59 CO 0.09 -0.62 -0.62 0.44 0.00 0.00 0.00 179.25 178.54 1ik0 n ILE 60 N -3.09 0.00 -0.26 0.00 -5.35 -1.18 -4.47 119.36 105.01 1ik0 n ILE 60 Ca 0.03 -0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.27 1ik0 n ILE 60 Cb 0.62 1.06 0.06 0.00 -1.74 0.00 0.00 39.64 39.64 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 0.55 0.96 -0.85 6.28 5.08 -0.68 0.57 114.58 126.48 1ik0 h GLU 61 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1ik0 h GLU 61 Cb 0.42 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1ik0 h GLU 61 CO 0.00 0.63 0.39 0.87 -1.00 0.00 0.00 179.01 179.90 1ik0 h LYS 62 N 0.98 1.23 -0.80 2.33 1.57 -1.78 -1.76 116.57 118.34 1ik0 h LYS 62 Ca 0.27 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1ik0 h LYS 62 Cb -0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 31.94 1ik0 h LYS 62 CO -0.06 0.95 0.53 1.15 -0.57 0.00 0.00 179.45 181.46 1ik0 h THR 63 N 1.21 1.21 -0.87 -0.16 2.02 -1.44 -2.20 112.91 112.69 1ik0 h THR 63 Ca 0.29 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ik0 h THR 63 Cb 0.14 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 1ik0 h THR 63 CO -0.03 0.20 0.57 1.56 0.37 0.00 0.00 175.52 178.19 1ik0 h GLN 64 N 1.09 1.14 -0.27 6.66 1.08 -0.02 0.10 115.11 124.88 1ik0 h GLN 64 Ca 0.29 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1ik0 h GLN 64 Cb -0.13 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.04 1ik0 h GLN 64 CO -0.06 0.76 0.08 -0.09 -0.95 0.00 0.00 178.83 178.56 1ik0 h ARG 65 N 1.18 0.43 -0.74 1.46 9.65 -1.22 -0.82 114.38 124.33 1ik0 h ARG 65 Ca 0.32 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 59.07 1ik0 h ARG 65 Cb -0.14 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 1ik0 h ARG 65 CO -0.07 0.51 0.34 0.52 2.80 0.00 0.00 179.97 184.07 1ik0 h MET 66 N 0.28 1.07 -0.87 0.20 2.86 -1.16 -1.88 114.93 115.43 1ik0 h MET 66 Ca 0.09 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1ik0 h MET 66 Cb 0.26 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1ik0 h MET 66 CO -0.00 0.85 0.44 -0.07 1.06 0.00 0.00 176.91 179.19 1ik0 h LEU 67 N 1.04 1.12 -1.01 1.22 3.38 -0.77 -1.89 115.31 118.41 1ik0 h LEU 67 Ca 0.25 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1ik0 h LEU 67 Cb 0.14 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1ik0 h LEU 67 CO -0.03 0.93 0.66 0.28 0.09 0.00 0.00 178.44 180.37 1ik0 h SER 68 N 1.24 1.15 -1.03 -0.43 0.02 -0.51 -0.37 113.55 113.61 1ik0 h SER 68 Ca 0.30 -0.03 0.30 0.00 -0.84 0.00 0.00 61.79 61.52 1ik0 h SER 68 Cb 0.08 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1ik0 h SER 68 CO -0.04 0.84 0.75 1.23 -1.14 0.00 0.00 176.83 178.46 1ik0 h GLY 69 N 1.36 0.00 -1.07 -3.77 0.00 -0.57 1.57 103.07 100.60 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 -0.20 0.69 0.00 0.00 0.00 176.54 176.95 1ik0 n PHE 70 N -4.22 0.00 -3.47 5.60 3.72 -0.20 -4.61 117.46 114.28 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 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 39.52 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 5.64 0.00 -5.13 0.00 0.11 -1.80 -3.38 132.00 127.44 1ik0 h PRO 72 Ca 0.24 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.68 1ik0 h PRO 72 Cb 0.89 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.83 1ik0 h PRO 72 CO 0.42 0.00 -0.05 -3.38 -0.21 0.00 0.00 178.00 174.78 1ik0 s HIS 73 N -4.24 3.12 0.31 0.65 -3.43 -1.26 -5.04 115.29 105.39 1ik0 s HIS 73 Ca -0.03 -0.19 -0.28 0.00 -0.80 0.00 0.00 55.06 53.76 1ik0 s HIS 73 Cb 0.10 -3.10 -0.09 0.00 -1.43 0.00 0.00 32.58 28.06 1ik0 s HIS 73 CO 0.33 -0.77 1.03 0.15 -2.00 0.00 0.00 174.74 173.48 1ik0 s LYS 74 N 2.46 4.56 -0.17 -0.38 -0.14 -1.26 -5.04 119.74 119.77 1ik0 s LYS 74 Ca 0.17 1.58 -0.06 0.00 -1.36 0.00 0.00 55.97 56.31 1ik0 s LYS 74 Cb -0.16 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 1ik0 s LYS 74 CO 0.16 0.20 0.01 0.08 -0.76 0.00 0.00 175.35 175.04 1ik0 s VAL 75 N -1.37 4.33 0.63 3.17 1.01 -1.26 -5.10 120.40 121.80 1ik0 s VAL 75 Ca 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1ik0 s VAL 75 Cb -0.26 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1ik0 s VAL 75 CO 0.33 0.47 0.90 -0.94 0.00 0.00 0.00 175.10 175.85 1ik0 s SER 76 N 0.43 5.04 0.25 3.32 1.04 -1.26 -4.93 113.70 117.60 1ik0 s SER 76 Ca -0.00 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 1ik0 s SER 76 Cb -0.13 -0.99 0.26 0.00 0.10 0.00 0.00 66.02 65.26 1ik0 s SER 76 CO 0.02 -1.37 1.93 0.00 0.98 0.00 0.00 173.24 174.79 1ik0 h ALA 77 N -0.27 1.28 0.00 5.32 0.00 -1.98 -1.17 119.26 122.44 1ik0 h ALA 77 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ik0 h ALA 77 Cb 1.31 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ik0 h ALA 77 CO 0.56 0.67 -0.04 0.78 0.00 0.00 0.00 179.25 181.22 1ik0 h GLY 78 N 1.37 0.00 -6.23 0.00 0.00 -1.99 -3.44 103.07 92.78 1ik0 h GLY 78 Ca 0.37 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.10 1ik0 h GLY 78 CO -0.08 0.00 -0.34 1.20 0.00 0.00 0.00 176.54 177.32 1ik0 s GLN 79 N -3.13 4.20 0.09 4.80 -0.21 -0.44 -5.08 119.66 119.90 1ik0 s GLN 79 Ca 0.10 0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.56 1ik0 s GLN 79 Cb 0.11 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1ik0 s GLN 79 CO 0.62 0.15 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.75 1ik0 s PHE 80 N 0.75 1.23 0.05 0.91 0.08 -1.26 -4.01 117.98 115.72 1ik0 s PHE 80 Ca 0.15 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1ik0 s PHE 80 Cb -0.13 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1ik0 s PHE 80 CO 0.04 0.07 0.00 0.43 -0.10 0.00 0.00 175.22 175.66 1ik0 n SER 81 N 0.84 0.45 -0.31 1.36 7.64 -1.26 -4.88 113.62 117.46 1ik0 n SER 81 Ca -0.18 0.07 0.03 0.00 1.01 0.00 0.00 58.87 59.80 1ik0 n SER 81 Cb 0.56 -0.13 0.07 0.00 -1.01 0.00 0.00 64.21 63.71 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 -3.20 2.45 -0.34 6.43 2.88 -1.26 -4.52 113.62 116.06 1ik0 n SER 82 Ca 0.00 -2.00 0.07 0.00 -1.33 0.00 0.00 58.87 55.62 1ik0 n SER 82 Cb 0.27 -0.11 0.29 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.00 1.00 -0.08 2.46 4.32 -1.26 -3.32 117.00 120.12 1ik0 n LEU 83 Ca 0.06 -0.46 0.14 0.00 -0.02 0.00 0.00 56.01 55.73 1ik0 n LEU 83 Cb 0.33 -0.09 0.59 0.00 -1.62 0.00 0.00 43.42 42.63 1ik0 n LEU 83 CO 0.04 0.23 0.85 1.41 -1.22 0.00 0.00 177.39 178.70 1ik0 n HIS 84 N -0.05 0.00 -2.61 -1.77 8.25 -1.26 -4.83 115.22 112.95 1ik0 n HIS 84 Ca 0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 1ik0 n HIS 84 Cb 0.19 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1ik0 n HIS 84 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ik0 s VAL 85 N -2.60 4.47 -0.61 1.59 1.01 -1.21 -4.94 120.40 118.12 1ik0 s VAL 85 Ca 0.25 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.52 1ik0 s VAL 85 Cb 0.20 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1ik0 s VAL 85 CO 0.50 -0.51 2.90 0.54 0.00 0.00 0.00 175.10 178.54 1ik0 n ARG 86 N -1.11 2.84 -2.17 2.72 1.74 -1.26 -4.93 116.66 114.48 1ik0 n ARG 86 Ca 0.07 -2.26 -0.29 0.00 -0.77 0.00 0.00 57.85 54.60 1ik0 n ARG 86 Cb 0.54 -2.26 0.02 0.00 -1.02 0.00 0.00 32.46 29.75 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 0.85 5.86 0.37 0.55 1.01 -1.26 -5.07 116.67 118.99 1ik0 s ASP 87 Ca 0.61 1.06 -0.01 0.00 0.71 0.00 0.00 52.55 54.91 1ik0 s ASP 87 Cb 0.32 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1ik0 s ASP 87 CO -0.14 -0.99 0.61 -0.89 0.21 0.00 0.00 175.17 173.97 1ik0 s THR 88 N -3.09 5.05 0.23 -1.27 2.01 -1.26 -4.78 115.64 112.53 1ik0 s THR 88 Ca 0.54 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1ik0 s THR 88 Cb -0.11 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1ik0 s THR 88 CO 0.49 -0.60 0.68 -0.54 -0.69 0.00 0.00 174.62 173.96 1ik0 s LYS 89 N -4.33 4.11 0.17 4.92 1.02 -1.26 -1.47 119.74 122.90 1ik0 s LYS 89 Ca 0.42 0.71 0.04 0.00 0.02 0.00 0.00 55.97 57.16 1ik0 s LYS 89 Cb -0.10 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1ik0 s LYS 89 CO 0.37 0.35 -0.07 0.96 -0.92 0.00 0.00 175.35 176.04 1ik0 s ILE 90 N -1.63 1.11 0.46 2.17 -4.36 0.40 -4.88 121.20 114.47 1ik0 s ILE 90 Ca 0.45 -2.05 -0.24 0.00 -0.26 0.00 0.00 60.65 58.55 1ik0 s ILE 90 Cb -0.15 -1.98 -0.07 0.00 1.25 0.00 0.00 42.46 41.51 1ik0 s ILE 90 CO 0.20 -0.63 1.24 -1.61 0.24 0.00 0.00 174.94 174.38 1ik0 s GLU 91 N -3.78 3.69 0.24 0.37 2.02 -1.26 -0.55 118.70 119.42 1ik0 s GLU 91 Ca 0.20 1.98 -0.06 0.00 0.02 0.00 0.00 54.97 57.11 1ik0 s GLU 91 Cb 0.03 -2.48 0.29 0.00 0.10 0.00 0.00 34.13 32.08 1ik0 s GLU 91 CO 0.03 -0.67 1.88 0.28 0.02 0.00 0.00 175.26 176.80 1ik0 h VAL 92 N 1.96 1.13 -0.76 2.63 2.07 -1.85 -1.80 116.25 119.62 1ik0 h VAL 92 Ca -0.50 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 66.77 1ik0 h VAL 92 Cb 1.26 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1ik0 h VAL 92 CO 0.60 0.20 0.36 0.00 0.02 0.00 0.00 177.57 178.75 1ik0 h ALA 93 N 1.38 1.09 -0.17 1.67 0.00 -1.91 0.16 119.26 121.48 1ik0 h ALA 93 Ca 0.36 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 1ik0 h ALA 93 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ik0 h ALA 93 CO -0.13 -0.11 -0.61 0.37 0.00 0.00 0.00 179.25 178.77 1ik0 h GLN 94 N 0.56 0.59 -0.43 0.00 4.15 -1.78 -2.96 115.11 115.23 1ik0 h GLN 94 Ca 0.40 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ik0 h GLN 94 Cb 0.52 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1ik0 h GLN 94 CO -0.34 1.02 0.29 0.35 -1.93 0.00 0.00 178.83 178.22 1ik0 h PHE 95 N 0.44 0.54 -0.00 3.99 3.04 -0.30 -1.40 116.94 123.24 1ik0 h PHE 95 Ca -0.01 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ik0 h PHE 95 Cb 1.18 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 1ik0 h PHE 95 CO 0.05 0.34 0.00 0.28 -2.02 0.00 0.00 178.31 176.96 1ik0 h VAL 96 N 0.58 1.10 -0.85 1.41 2.07 -1.00 -2.06 116.25 117.50 1ik0 h VAL 96 Ca 0.16 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ik0 h VAL 96 Cb -0.07 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1ik0 h VAL 96 CO -0.04 0.08 0.54 0.11 0.02 0.00 0.00 177.57 178.28 1ik0 h LYS 97 N -0.13 1.14 -1.01 1.57 1.57 -1.38 -1.54 116.57 116.79 1ik0 h LYS 97 Ca 0.00 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ik0 h LYS 97 Cb 0.13 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 1ik0 h LYS 97 CO -0.00 0.78 0.67 -0.44 -0.57 0.00 0.00 179.45 179.89 1ik0 h ASP 98 N 1.17 1.16 -0.83 0.86 3.32 -1.10 -1.29 116.42 119.70 1ik0 h ASP 98 Ca 0.31 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 1ik0 h ASP 98 Cb -0.09 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.13 1ik0 h ASP 98 CO -0.06 0.84 0.37 0.25 -1.72 0.00 0.00 179.24 178.92 1ik0 h LEU 99 N 1.37 1.12 -0.93 1.55 5.85 -0.62 -2.83 115.31 120.81 1ik0 h LEU 99 Ca 0.37 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1ik0 h LEU 99 Cb -0.16 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.51 1ik0 h LEU 99 CO -0.08 0.96 0.58 0.25 -0.34 0.00 0.00 178.44 179.81 1ik0 h LEU 100 N 1.20 0.89 -0.25 2.25 5.85 -0.28 -0.89 115.31 124.07 1ik0 h LEU 100 Ca 0.28 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1ik0 h LEU 100 Cb 0.16 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ik0 h LEU 100 CO -0.03 0.53 0.16 -0.07 -0.34 0.00 0.00 178.44 178.69 1ik0 h LEU 101 N 1.00 0.28 -0.63 2.25 -0.00 -1.32 -2.83 115.31 114.06 1ik0 h LEU 101 Ca 0.43 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 58.17 1ik0 h LEU 101 Cb 0.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1ik0 h LEU 101 CO -0.21 0.20 -0.41 0.45 -0.00 0.00 0.00 178.44 178.46 1ik0 h HIS 102 N 0.33 0.72 -0.06 1.13 3.86 -1.46 -2.97 115.15 116.69 1ik0 h HIS 102 Ca 0.09 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1ik0 h HIS 102 Cb -0.04 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1ik0 h HIS 102 CO -0.06 0.92 -0.02 -0.07 0.86 0.00 0.00 177.93 179.56 1ik0 h LEU 103 N 0.49 -0.06 -1.82 2.43 3.38 -0.95 -1.40 115.31 117.38 1ik0 h LEU 103 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ik0 h LEU 103 Cb 0.93 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1ik0 h LEU 103 CO 0.08 -0.02 -0.10 0.07 0.09 0.00 0.00 178.44 178.56 1ik0 h LYS 104 N -0.00 0.00 -0.13 1.13 2.10 -1.55 -3.10 116.57 115.02 1ik0 h LYS 104 Ca 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1ik0 h LYS 104 Cb 0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1ik0 h LYS 104 CO -0.07 0.10 0.01 -0.22 -2.00 0.00 0.00 179.45 177.28 1ik0 h LYS 105 N 0.00 0.22 -0.15 0.07 3.64 -1.09 -2.88 116.57 116.37 1ik0 h LYS 105 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ik0 h LYS 105 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ik0 h LYS 105 CO 0.01 0.42 0.10 -0.07 -2.27 0.00 0.00 179.45 177.65 1ik0 h LEU 106 N -0.02 0.18 -1.33 5.20 -0.00 -1.43 -1.12 115.31 116.79 1ik0 h LEU 106 Ca 0.04 -0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1ik0 h LEU 106 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 1ik0 h LEU 106 CO 0.00 0.13 0.45 0.15 -0.00 0.00 0.00 178.44 179.18 1ik0 h PHE 107 N 0.21 0.86 -1.01 1.13 3.57 -1.57 0.78 116.94 120.91 1ik0 h PHE 107 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ik0 h PHE 107 Cb -0.02 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 1ik0 h PHE 107 CO 0.00 0.54 0.67 0.00 -2.23 0.00 0.00 178.31 177.29 1ik0 h ARG 108 N 0.93 1.33 0.00 1.11 2.47 -1.16 -2.40 114.38 116.65 1ik0 h ARG 108 Ca 0.25 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1ik0 h ARG 108 Cb -0.11 -0.30 0.00 0.00 -1.65 0.00 0.00 29.97 27.92 1ik0 h ARG 108 CO -0.05 0.88 -0.70 0.39 0.56 0.00 0.00 179.97 181.05 1ik0 n GLU 109 N -4.38 0.25 -1.06 0.04 -0.58 -0.77 -4.94 120.64 109.20 1ik0 n GLU 109 Ca 0.12 0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.89 1ik0 n GLU 109 Cb 0.01 -1.64 -0.01 0.00 -0.57 0.00 0.00 31.44 29.24 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 1.37 0.50 3.37 0.62 0.00 0.20 -4.96 105.19 106.29 1ik0 n GLY 110 Ca 0.03 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 1ik0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ik0 s ARG 111 N -1.20 3.10 0.00 1.61 0.52 -1.20 -5.02 118.95 116.76 1ik0 s ARG 111 Ca 0.00 -1.46 -0.15 0.00 -0.52 0.00 0.00 55.73 53.61 1ik0 s ARG 111 Cb 0.00 -4.32 -0.06 0.00 0.52 0.00 0.00 34.95 31.10 1ik0 s ARG 111 CO 0.00 -1.52 0.41 -0.06 0.02 0.00 0.00 175.30 174.15 1ik0 s PHE 112 N 2.42 3.73 0.00 -0.53 0.08 -1.26 -4.85 117.98 117.56 1ik0 s PHE 112 Ca 0.12 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1ik0 s PHE 112 Cb -0.23 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 1ik0 s PHE 112 CO 0.04 0.64 0.00 0.27 -0.10 0.00 0.00 175.22 176.07