#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 1.59 0.20 3.03 0.00 -1.26 -5.02 107.32 105.86 1ik0 s GLY 2 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1ik0 s GLY 2 CO 0.00 -0.02 0.09 -1.05 0.00 0.00 0.00 173.10 172.12 1ik0 n PRO 3 N -3.85 -0.50 -2.79 2.90 -0.02 -1.26 -4.90 135.00 124.57 1ik0 n PRO 3 Ca 0.08 -0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1ik0 n PRO 3 Cb 0.59 -0.28 -0.06 0.00 -0.02 0.00 0.00 33.50 33.73 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 -0.83 4.13 1.10 -1.45 -7.23 -1.26 -5.03 120.40 109.83 1ik0 s VAL 4 Ca 0.07 2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 62.12 1ik0 s VAL 4 Cb -0.01 -4.27 0.23 0.00 0.56 0.00 0.00 36.38 32.89 1ik0 s VAL 4 CO 0.06 0.48 0.96 -0.81 -0.31 0.00 0.00 175.10 175.47 1ik0 n PRO 5 N 1.43 -1.83 0.03 4.82 -0.04 -1.26 -4.78 135.00 133.38 1ik0 n PRO 5 Ca -0.02 -0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 62.82 1ik0 n PRO 5 Cb 0.48 -2.18 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 1ik0 n PRO 5 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ik0 h PRO 6 N -2.41 -0.08 -0.57 0.54 0.13 -1.99 -2.22 132.00 125.39 1ik0 h PRO 6 Ca -0.56 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1ik0 h PRO 6 Cb 1.32 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1ik0 h PRO 6 CO 0.46 0.27 0.30 0.66 -0.23 0.00 0.00 178.00 179.46 1ik0 h SER 7 N -0.44 0.71 -0.33 1.44 4.64 -1.96 -1.82 113.55 115.78 1ik0 h SER 7 Ca -0.01 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1ik0 h SER 7 Cb 0.39 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ik0 h SER 7 CO 0.01 0.59 -0.34 0.74 -0.87 0.00 0.00 176.83 176.96 1ik0 h THR 8 N 0.80 1.29 -0.79 2.95 2.02 -1.92 -2.16 112.91 115.10 1ik0 h THR 8 Ca 0.20 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1ik0 h THR 8 Cb 0.05 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1ik0 h THR 8 CO -0.03 0.50 0.44 0.00 0.37 0.00 0.00 175.52 176.80 1ik0 h ALA 9 N 0.73 1.02 -0.48 6.16 0.00 -0.97 0.27 119.26 125.99 1ik0 h ALA 9 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ik0 h ALA 9 Cb 0.92 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ik0 h ALA 9 CO 0.08 0.52 0.30 1.25 0.00 0.00 0.00 179.25 181.40 1ik0 h LEU 10 N 1.10 0.57 -0.57 0.00 5.85 -1.22 0.26 115.31 121.30 1ik0 h LEU 10 Ca 0.28 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 10 Cb 0.02 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1ik0 h LEU 10 CO -0.05 0.45 0.38 0.03 -0.34 0.00 0.00 178.44 178.91 1ik0 h ARG 11 N 0.64 0.74 -0.93 1.25 3.08 -0.69 0.33 114.38 118.80 1ik0 h ARG 11 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1ik0 h ARG 11 Cb -0.02 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1ik0 h ARG 11 CO -0.03 0.49 0.53 0.93 -1.07 0.00 0.00 179.97 180.82 1ik0 h GLU 12 N 0.77 1.28 -0.15 0.04 5.08 -0.25 -1.14 114.58 120.21 1ik0 h GLU 12 Ca 0.21 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1ik0 h GLU 12 Cb -0.08 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.91 1ik0 h GLU 12 CO -0.05 0.92 -0.13 1.25 -1.00 0.00 0.00 179.01 180.00 1ik0 h LEU 13 N 1.29 0.36 0.00 1.33 5.85 0.56 -2.58 115.31 122.13 1ik0 h LEU 13 Ca 0.33 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ik0 h LEU 13 Cb -0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1ik0 h LEU 13 CO -0.06 0.76 -0.00 0.40 -0.34 0.00 0.00 178.44 179.20 1ik0 h ILE 14 N -0.02 1.10 -0.94 4.05 2.04 -0.17 -1.53 117.51 122.04 1ik0 h ILE 14 Ca 0.03 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ik0 h ILE 14 Cb 0.65 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1ik0 h ILE 14 CO 0.03 0.08 0.60 -0.33 0.00 0.00 0.00 178.15 178.53 1ik0 h GLU 15 N -0.13 1.26 -0.34 2.37 5.08 -1.28 -1.75 114.58 119.78 1ik0 h GLU 15 Ca -0.00 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1ik0 h GLU 15 Cb 0.13 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1ik0 h GLU 15 CO 0.00 0.86 -0.40 1.49 -1.00 0.00 0.00 179.01 179.95 1ik0 h GLU 16 N 1.29 0.88 -0.38 2.33 4.81 -1.37 -2.47 114.58 119.67 1ik0 h GLU 16 Ca 0.34 -0.49 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1ik0 h GLU 16 Cb -0.10 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1ik0 h GLU 16 CO -0.07 1.13 0.23 -0.07 -0.73 0.00 0.00 179.01 179.50 1ik0 h LEU 17 N 0.68 0.46 -0.46 1.64 3.38 -0.95 -2.57 115.31 117.49 1ik0 h LEU 17 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ik0 h LEU 17 Cb 1.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1ik0 h LEU 17 CO 0.10 0.38 0.24 0.58 0.09 0.00 0.00 178.44 179.83 1ik0 h VAL 18 N 0.49 1.17 -0.59 1.22 2.07 -1.29 -2.45 116.25 116.87 1ik0 h VAL 18 Ca 0.14 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ik0 h VAL 18 Cb 0.01 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1ik0 h VAL 18 CO -0.02 0.18 0.39 -1.13 0.02 0.00 0.00 177.57 177.00 1ik0 h ASN 19 N 0.60 0.66 1.61 0.57 -1.24 -1.24 -1.03 115.58 115.51 1ik0 h ASN 19 Ca 0.16 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1ik0 h ASN 19 Cb 0.07 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1ik0 h ASN 19 CO -0.02 0.47 0.00 0.16 -1.29 0.00 0.00 177.43 176.75 1ik0 h ILE 20 N 0.78 0.00 0.00 2.57 3.07 -1.36 -3.28 117.51 119.29 1ik0 h ILE 20 Ca 0.22 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1ik0 h ILE 20 Cb -0.07 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1ik0 h ILE 20 CO -0.06 0.00 -1.57 0.35 -1.05 0.00 0.00 178.15 175.82 1ik0 n THR 21 N -3.04 0.02 0.07 0.16 -2.24 -0.93 -3.84 114.28 104.48 1ik0 n THR 21 Ca 0.03 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1ik0 n THR 21 Cb 0.44 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.00 -0.02 -0.78 4.20 -1.25 -3.24 115.11 114.02 1ik0 h GLN 22 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ik0 h GLN 22 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1ik0 h GLN 22 CO 0.00 0.93 -0.17 0.09 -0.67 0.00 0.00 178.83 179.02 1ik0 n ASN 23 N -3.42 1.99 -4.73 1.46 5.03 -1.25 -4.90 115.26 109.44 1ik0 n ASN 23 Ca -0.00 -1.53 -0.40 0.00 0.87 0.00 0.00 54.58 53.51 1ik0 n ASN 23 Cb 0.88 0.14 -0.04 0.00 -1.02 0.00 0.00 39.78 39.74 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 -2.21 4.49 0.00 3.52 -2.07 -1.22 -4.99 119.66 117.17 1ik0 s GLN 24 Ca 0.28 1.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.90 1ik0 s GLN 24 Cb 0.20 -3.42 0.00 0.00 -1.09 0.00 0.00 33.01 28.70 1ik0 s GLN 24 CO 0.42 0.12 0.00 1.17 -1.32 0.00 0.00 175.29 175.68 1ik0 n LYS 25 N 3.44 0.00 -2.04 9.60 3.00 -1.26 -4.94 118.16 125.96 1ik0 n LYS 25 Ca 0.00 0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.02 1ik0 n LYS 25 Cb 0.51 -0.34 -0.00 0.00 0.00 0.00 0.00 35.03 35.19 1ik0 n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ik0 s ALA 26 N -4.29 3.05 0.49 3.14 0.00 -1.26 -4.97 121.76 117.91 1ik0 s ALA 26 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 1ik0 s ALA 26 Cb 0.00 -3.10 -0.13 0.00 0.00 0.00 0.00 23.12 19.89 1ik0 s ALA 26 CO 0.00 -0.57 0.23 -2.30 0.00 0.00 0.00 175.76 173.13 1ik0 n PRO 27 N -2.34 0.26 0.05 0.00 -0.02 -1.26 -4.86 135.00 126.82 1ik0 n PRO 27 Ca 0.06 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1ik0 n PRO 27 Cb 0.54 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.65 1ik0 n PRO 27 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ik0 h LEU 28 N 0.29 -0.04-10.65 2.45 3.38 -1.97 -3.44 115.31 105.33 1ik0 h LEU 28 Ca -0.41 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.05 1ik0 h LEU 28 Cb 1.42 0.01 0.10 0.00 0.09 0.00 0.00 40.66 42.28 1ik0 h LEU 28 CO 0.46 0.02 0.28 0.00 0.09 0.00 0.00 178.44 179.30 1ik0 n ASN 30 N -3.15 3.62 -0.67 0.00 5.15 -1.26 -4.16 115.26 114.79 1ik0 n ASN 30 Ca 0.10 -2.16 -0.08 0.00 -0.60 0.00 0.00 54.58 51.84 1ik0 n ASN 30 Cb 0.60 -0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 1ik0 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ik0 n GLY 31 N 3.39 0.91 3.76 8.20 0.00 -1.26 -4.96 105.19 115.23 1ik0 n GLY 31 Ca 0.32 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.88 5.71 0.26 1.61 0.01 -1.26 -4.87 113.70 112.28 1ik0 s SER 32 Ca 0.00 2.92 0.10 0.00 1.31 0.00 0.00 55.95 60.28 1ik0 s SER 32 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1ik0 s SER 32 CO 0.00 -1.29 -0.05 -0.04 0.41 0.00 0.00 173.24 172.27 1ik0 s MET 33 N -2.56 2.15 0.20 12.44 -1.94 -1.26 -2.58 119.30 125.75 1ik0 s MET 33 Ca 0.63 -1.48 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 1ik0 s MET 33 Cb -0.44 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1ik0 s MET 33 CO 0.55 0.36 -0.05 0.14 -0.01 0.00 0.00 175.02 176.01 1ik0 s VAL 34 N -2.33 1.14 0.13 -6.03 -7.23 0.12 -4.84 120.40 101.36 1ik0 s VAL 34 Ca 0.31 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 1ik0 s VAL 34 Cb -0.06 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 1ik0 s VAL 34 CO 0.19 -0.51 1.22 0.26 -0.31 0.00 0.00 175.10 175.95 1ik0 s TRP 35 N -3.35 3.41 0.39 2.82 0.52 -1.26 0.13 118.94 121.59 1ik0 s TRP 35 Ca 0.23 1.32 -0.26 0.00 0.02 0.00 0.00 56.10 57.41 1ik0 s TRP 35 Cb 0.04 -3.46 -0.09 0.00 -1.15 0.00 0.00 33.47 28.81 1ik0 s TRP 35 CO 0.05 -1.38 1.16 0.45 0.02 0.00 0.00 176.95 177.25 1ik0 s SER 36 N 0.62 6.63 0.26 2.95 0.15 -1.14 -4.87 113.70 118.30 1ik0 s SER 36 Ca 0.57 2.32 0.02 0.00 0.70 0.00 0.00 55.95 59.55 1ik0 s SER 36 Cb -0.32 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.32 1ik0 s SER 36 CO 0.33 -0.60 0.07 0.27 1.20 0.00 0.00 173.24 174.51 1ik0 s ILE 37 N -1.41 0.71 -0.23 6.45 -4.36 -1.26 -4.88 121.20 116.22 1ik0 s ILE 37 Ca 0.56 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.73 1ik0 s ILE 37 Cb -0.30 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1ik0 s ILE 37 CO 0.38 -0.08 0.69 0.21 0.24 0.00 0.00 174.94 176.39 1ik0 s ASN 38 N -3.32 6.70 -0.23 4.36 2.47 -1.26 -5.01 114.94 118.64 1ik0 s ASN 38 Ca 0.35 0.86 -0.29 0.00 0.42 0.00 0.00 52.86 54.21 1ik0 s ASN 38 Cb 0.08 -2.37 0.01 0.00 -1.45 0.00 0.00 41.25 37.51 1ik0 s ASN 38 CO 0.13 -0.38 1.02 -0.76 -3.72 0.00 0.00 177.10 173.39 1ik0 s LEU 39 N 2.39 4.09 0.00 3.21 2.01 -1.26 -4.87 118.68 124.25 1ik0 s LEU 39 Ca 0.30 1.34 0.00 0.00 0.01 0.00 0.00 54.13 55.78 1ik0 s LEU 39 Cb -0.16 -3.51 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1ik0 s LEU 39 CO 0.09 -0.66 0.00 0.35 1.01 0.00 0.00 176.35 177.14 1ik0 n THR 40 N 5.33 0.00 -0.00 5.49 -2.24 -1.26 -5.07 114.28 116.53 1ik0 n THR 40 Ca 0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1ik0 n THR 40 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.23 0.05 6.98 0.00 -1.26 -4.62 120.51 120.89 1ik0 n ALA 41 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ik0 n ALA 41 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 2.75 1.07 0.34 0.00 0.00 -1.26 -4.13 105.19 103.96 1ik0 n GLY 42 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 2.16 1.14 -0.05 1.61 0.00 -1.90 -1.29 114.93 116.60 1ik0 h MET 43 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 59.70 59.51 1ik0 h MET 43 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 31.60 31.79 1ik0 h MET 43 CO 0.00 0.92 -0.01 1.88 0.00 0.00 0.00 176.91 179.69 1ik0 h TYR 44 N 1.11 -0.03 -0.17 -0.22 0.05 -1.90 0.37 116.97 116.18 1ik0 h TYR 44 Ca 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.97 1ik0 h TYR 44 Cb 0.20 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1ik0 h TYR 44 CO 0.02 -0.02 -0.16 0.00 -1.05 0.00 0.00 178.16 176.95 1ik0 h ALA 46 N 0.63 0.17 -0.79 0.00 0.00 -1.10 -2.08 119.26 116.09 1ik0 h ALA 46 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ik0 h ALA 46 Cb 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ik0 h ALA 46 CO 0.04 -0.35 0.44 0.00 0.00 0.00 0.00 179.25 179.38 1ik0 h ALA 47 N 1.05 1.28 -0.02 0.00 0.00 -0.28 -2.85 119.26 118.44 1ik0 h ALA 47 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ik0 h ALA 47 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1ik0 h ALA 47 CO -0.02 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.08 1ik0 h LEU 48 N 1.10 0.02 -1.25 0.00 5.85 -0.66 -0.81 115.31 119.57 1ik0 h LEU 48 Ca 0.28 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1ik0 h LEU 48 Cb 0.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1ik0 h LEU 48 CO -0.05 0.02 0.52 1.05 -0.34 0.00 0.00 178.44 179.64 1ik0 h GLU 49 N 0.03 0.97 -0.54 1.25 4.11 -1.22 0.21 114.58 119.39 1ik0 h GLU 49 Ca 0.01 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1ik0 h GLU 49 Cb -0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1ik0 h GLU 49 CO -0.00 0.64 -0.00 0.66 0.07 0.00 0.00 179.01 180.38 1ik0 h SER 50 N 1.00 0.93 0.48 3.06 4.64 -1.22 -2.75 113.55 119.70 1ik0 h SER 50 Ca 0.30 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1ik0 h SER 50 Cb -0.02 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1ik0 h SER 50 CO -0.08 1.01 -0.54 -0.07 -0.87 0.00 0.00 176.83 176.28 1ik0 h LEU 51 N 0.83 0.07 -2.41 5.97 3.38 -0.22 -2.77 115.31 120.17 1ik0 h LEU 51 Ca 0.15 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ik0 h LEU 51 Cb 0.54 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ik0 h LEU 51 CO 0.03 0.60 0.19 0.40 0.09 0.00 0.00 178.44 179.75 1ik0 h ILE 52 N 0.05 0.12 0.00 1.22 1.08 -0.30 0.62 117.51 120.30 1ik0 h ILE 52 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ik0 h ILE 52 Cb 0.98 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1ik0 h ILE 52 CO 0.07 0.00 -0.11 0.59 -0.69 0.00 0.00 178.15 178.01 1ik0 n ASN 53 N -3.18 0.53 -4.62 1.72 3.02 -1.04 -4.70 115.26 106.98 1ik0 n ASN 53 Ca -0.01 0.44 -0.40 0.00 -0.03 0.00 0.00 54.58 54.57 1ik0 n ASN 53 Cb 0.26 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 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 -3.07 5.01 0.09 2.41 1.01 0.22 -5.05 120.40 121.02 1ik0 s VAL 54 Ca 0.11 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.22 1ik0 s VAL 54 Cb 0.15 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ik0 s VAL 54 CO 0.60 0.04 -0.16 -0.44 0.00 0.00 0.00 175.10 175.15 1ik0 s SER 55 N 1.48 1.97 0.00 3.32 0.01 -1.26 -4.80 113.70 114.42 1ik0 s SER 55 Ca 0.25 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1ik0 s SER 55 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1ik0 s SER 55 CO 0.09 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1ik0 n GLY 56 N 0.99 1.05 2.48 3.44 0.00 -1.26 -5.05 105.19 106.84 1ik0 n GLY 56 Ca -0.19 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 7.14 0.59 -0.48 0.00 0.87 -1.98 -2.83 113.55 116.85 1ik0 h SER 58 Ca 0.03 -0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.58 1ik0 h SER 58 Cb 0.97 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1ik0 h SER 58 CO 0.29 0.70 0.54 0.00 -0.53 0.00 0.00 176.83 177.84 1ik0 h ALA 59 N 1.36 2.20 -0.01 6.23 0.00 -1.98 -0.21 119.26 126.86 1ik0 h ALA 59 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ik0 h ALA 59 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ik0 h ALA 59 CO 0.02 -0.79 -0.29 0.44 0.00 0.00 0.00 179.25 178.64 1ik0 n ILE 60 N -3.62 0.00 -0.35 0.00 -5.35 -1.08 -4.51 119.36 104.45 1ik0 n ILE 60 Ca 0.09 -0.35 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 1ik0 n ILE 60 Cb 0.73 1.14 0.10 0.00 -1.74 0.00 0.00 39.64 39.87 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 1.29 1.22 -0.88 6.28 4.39 -0.96 -0.74 114.58 125.17 1ik0 h GLU 61 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ik0 h GLU 61 Cb 0.42 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1ik0 h GLU 61 CO 0.00 0.81 0.46 0.87 -1.16 0.00 0.00 179.01 179.99 1ik0 h LYS 62 N 1.26 1.24 -0.97 2.33 1.57 -1.79 -1.74 116.57 118.47 1ik0 h LYS 62 Ca 0.35 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1ik0 h LYS 62 Cb -0.13 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 31.90 1ik0 h LYS 62 CO -0.08 0.92 0.65 1.15 -0.57 0.00 0.00 179.45 181.52 1ik0 h THR 63 N 1.24 1.25 -0.78 -0.16 2.02 -1.44 -1.12 112.91 113.92 1ik0 h THR 63 Ca 0.31 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ik0 h THR 63 Cb 0.06 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.25 1ik0 h THR 63 CO -0.05 0.24 0.44 1.56 0.37 0.00 0.00 175.52 178.09 1ik0 h GLN 64 N 1.32 1.08 -0.11 6.66 4.20 -0.39 0.11 115.11 127.98 1ik0 h GLN 64 Ca 0.36 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ik0 h GLN 64 Cb -0.15 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.41 1ik0 h GLN 64 CO -0.08 0.79 0.07 -0.09 -0.67 0.00 0.00 178.83 178.85 1ik0 h ARG 65 N 1.08 0.15 -0.81 1.46 2.43 -0.63 0.36 114.38 118.42 1ik0 h ARG 65 Ca 0.28 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1ik0 h ARG 65 Cb 0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1ik0 h ARG 65 CO -0.05 0.16 0.39 0.52 -1.51 0.00 0.00 179.97 179.48 1ik0 h MET 66 N 0.10 1.17 -0.72 0.20 2.86 -0.87 -1.86 114.93 115.82 1ik0 h MET 66 Ca 0.04 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1ik0 h MET 66 Cb 0.05 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1ik0 h MET 66 CO -0.01 0.91 0.23 -0.07 1.06 0.00 0.00 176.91 179.03 1ik0 h LEU 67 N 1.16 1.02 -1.12 1.22 3.38 -0.32 -2.05 115.31 118.59 1ik0 h LEU 67 Ca 0.28 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1ik0 h LEU 67 Cb 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1ik0 h LEU 67 CO -0.03 0.94 0.60 0.28 0.09 0.00 0.00 178.44 180.32 1ik0 h SER 68 N 1.06 0.96 -0.68 -0.43 0.02 0.47 -0.09 113.55 114.87 1ik0 h SER 68 Ca 0.23 -0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.37 1ik0 h SER 68 Cb 0.28 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1ik0 h SER 68 CO -0.01 0.64 0.49 1.23 -1.14 0.00 0.00 176.83 178.04 1ik0 h GLY 69 N 1.11 0.01 -1.51 -3.77 0.00 -0.66 0.78 103.07 99.02 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 -0.12 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.11 1ik0 n PHE 70 N -4.34 0.15 -3.56 5.60 3.72 -0.08 -4.57 117.46 114.38 1ik0 n PHE 70 Ca 0.13 -0.08 -0.27 0.00 -0.05 0.00 0.00 57.45 57.18 1ik0 n PHE 70 Cb 0.74 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.18 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 2.38 0.00 -3.76 0.00 -0.02 -1.24 -4.19 135.00 128.17 1ik0 n PRO 72 Ca 0.26 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 1ik0 n PRO 72 Cb 0.43 -0.99 -0.17 0.00 -0.02 0.00 0.00 33.50 32.76 1ik0 n PRO 72 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ik0 s HIS 73 N -1.30 1.11 0.37 6.00 -3.43 -1.26 -5.13 115.29 111.66 1ik0 s HIS 73 Ca 0.00 -0.85 -0.24 0.00 -0.80 0.00 0.00 55.06 53.17 1ik0 s HIS 73 Cb 0.00 -1.05 -0.10 0.00 -1.43 0.00 0.00 32.58 30.00 1ik0 s HIS 73 CO 0.00 -0.59 0.98 0.15 -2.00 0.00 0.00 174.74 173.28 1ik0 s LYS 74 N 1.83 4.36 -0.15 -0.38 1.02 -1.26 -5.04 119.74 120.12 1ik0 s LYS 74 Ca -0.00 1.33 -0.03 0.00 0.02 0.00 0.00 55.97 57.29 1ik0 s LYS 74 Cb -0.17 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1ik0 s LYS 74 CO -0.08 0.07 -0.06 0.08 -0.92 0.00 0.00 175.35 174.44 1ik0 s VAL 75 N -1.77 3.70 0.49 3.17 1.01 -1.26 -5.11 120.40 120.62 1ik0 s VAL 75 Ca 0.56 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1ik0 s VAL 75 Cb -0.17 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1ik0 s VAL 75 CO 0.22 0.50 0.75 -0.94 0.00 0.00 0.00 175.10 175.64 1ik0 s SER 76 N 0.35 5.96 0.00 3.32 1.04 -1.26 -4.93 113.70 118.18 1ik0 s SER 76 Ca -0.06 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.02 1ik0 s SER 76 Cb -0.15 -1.86 0.13 0.00 0.10 0.00 0.00 66.02 64.24 1ik0 s SER 76 CO 0.04 -0.71 1.09 0.00 0.98 0.00 0.00 173.24 174.64 1ik0 n ALA 77 N -2.24 1.15 -0.08 5.32 0.00 -1.26 -2.08 120.51 121.32 1ik0 n ALA 77 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1ik0 n ALA 77 Cb 0.57 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.18 -0.45 3.71 0.00 0.00 -1.26 -4.88 105.19 101.13 1ik0 n GLY 78 Ca 0.01 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 4.38 0.05 1.61 -1.52 -0.89 -5.06 119.66 115.70 1ik0 s GLN 79 Ca -0.30 0.67 0.05 0.00 -1.95 0.00 0.00 55.36 53.83 1ik0 s GLN 79 Cb 0.08 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.39 1ik0 s GLN 79 CO 0.66 0.08 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.57 1ik0 s PHE 80 N 0.81 1.32 0.00 0.91 0.08 -1.26 -4.08 117.98 115.76 1ik0 s PHE 80 Ca 0.32 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1ik0 s PHE 80 Cb -0.16 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 1ik0 s PHE 80 CO 0.14 0.06 0.00 0.43 -0.10 0.00 0.00 175.22 175.75 1ik0 n SER 81 N 1.70 1.10 -0.54 1.36 7.64 -1.26 -4.81 113.62 118.81 1ik0 n SER 81 Ca -0.19 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.81 1ik0 n SER 81 Cb 0.54 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.95 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 -2.80 1.91 -1.16 6.43 2.88 -1.26 -4.19 113.62 115.43 1ik0 n SER 82 Ca 0.00 -1.47 -0.03 0.00 -1.33 0.00 0.00 58.87 56.04 1ik0 n SER 82 Cb 0.46 0.20 0.08 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.17 3.37 0.02 2.46 4.77 -1.26 -4.04 117.00 122.49 1ik0 n LEU 83 Ca 0.13 -1.73 -0.19 0.00 -0.03 0.00 0.00 56.01 54.19 1ik0 n LEU 83 Cb 0.45 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1ik0 n LEU 83 CO 0.23 0.54 0.15 0.45 -1.33 0.00 0.00 177.39 177.42 1ik0 h HIS 84 N 0.62 1.06 -3.98 -1.77 3.86 -1.94 -3.44 115.15 109.55 1ik0 h HIS 84 Ca 0.11 -0.53 -0.48 0.00 -1.16 0.00 0.00 60.37 58.30 1ik0 h HIS 84 Cb 1.28 -0.14 0.02 0.00 1.06 0.00 0.00 27.41 29.63 1ik0 h HIS 84 CO 0.39 1.37 0.40 0.14 0.86 0.00 0.00 177.93 181.10 1ik0 s VAL 85 N -3.49 3.77 -1.24 2.45 -7.23 -1.26 -4.94 120.40 108.47 1ik0 s VAL 85 Ca -0.10 1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 61.31 1ik0 s VAL 85 Cb 0.08 -3.64 0.19 0.00 0.56 0.00 0.00 36.38 33.56 1ik0 s VAL 85 CO 0.92 -0.05 2.02 0.54 -0.31 0.00 0.00 175.10 178.22 1ik0 n ARG 86 N -0.25 4.37 -2.14 4.82 1.74 -1.26 -4.98 116.66 118.96 1ik0 n ARG 86 Ca 0.06 -3.79 -0.26 0.00 -0.77 0.00 0.00 57.85 53.09 1ik0 n ARG 86 Cb 0.50 -2.69 0.08 0.00 -1.02 0.00 0.00 32.46 29.33 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 0.01 4.71 0.45 0.55 1.01 -1.26 -5.07 116.67 117.07 1ik0 s ASP 87 Ca 0.44 0.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.17 1ik0 s ASP 87 Cb 0.14 -1.11 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 1ik0 s ASP 87 CO -0.04 -1.69 0.73 0.42 0.21 0.00 0.00 175.17 174.81 1ik0 s THR 88 N -3.33 4.95 0.47 -1.27 -4.23 -1.26 -4.84 115.64 106.13 1ik0 s THR 88 Ca 0.61 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1ik0 s THR 88 Cb -0.11 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1ik0 s THR 88 CO 0.46 -0.78 0.80 -0.54 -0.54 0.00 0.00 174.62 174.02 1ik0 s LYS 89 N -4.63 3.61 0.17 3.99 1.02 -1.26 -2.86 119.74 119.78 1ik0 s LYS 89 Ca 0.46 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1ik0 s LYS 89 Cb -0.10 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1ik0 s LYS 89 CO 0.43 -0.19 -0.01 0.96 -0.92 0.00 0.00 175.35 175.62 1ik0 s ILE 90 N -2.67 0.73 0.36 2.17 -4.36 0.12 -4.86 121.20 112.68 1ik0 s ILE 90 Ca 0.49 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.61 1ik0 s ILE 90 Cb -0.10 -2.10 -0.11 0.00 1.25 0.00 0.00 42.46 41.40 1ik0 s ILE 90 CO 0.42 -0.50 1.39 -1.61 0.24 0.00 0.00 174.94 174.88 1ik0 s GLU 91 N -3.90 4.23 0.23 0.37 2.02 -1.26 0.10 118.70 120.49 1ik0 s GLU 91 Ca 0.23 2.38 -0.07 0.00 0.02 0.00 0.00 54.97 57.53 1ik0 s GLU 91 Cb 0.06 -3.01 0.26 0.00 0.10 0.00 0.00 34.13 31.54 1ik0 s GLU 91 CO 0.04 -0.36 1.87 0.28 0.02 0.00 0.00 175.26 177.11 1ik0 h VAL 92 N 2.98 1.12 -1.00 2.63 2.07 -1.83 -1.12 116.25 121.10 1ik0 h VAL 92 Ca -0.50 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 66.80 1ik0 h VAL 92 Cb 1.23 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1ik0 h VAL 92 CO 0.65 0.19 0.63 0.00 0.02 0.00 0.00 177.57 179.05 1ik0 h ALA 93 N 1.36 1.57 -0.18 1.67 0.00 -1.90 0.64 119.26 122.42 1ik0 h ALA 93 Ca 0.34 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.09 1ik0 h ALA 93 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ik0 h ALA 93 CO -0.12 0.15 -0.68 1.96 0.00 0.00 0.00 179.25 180.56 1ik0 h GLN 94 N 0.93 0.71 -0.10 0.00 4.20 -1.63 -2.82 115.11 116.40 1ik0 h GLN 94 Ca 0.52 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ik0 h GLN 94 Cb 0.60 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1ik0 h GLN 94 CO -0.29 1.14 0.05 0.35 -0.67 0.00 0.00 178.83 179.41 1ik0 h PHE 95 N 0.51 0.10 -0.14 2.96 3.04 0.19 0.10 116.94 123.70 1ik0 h PHE 95 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ik0 h PHE 95 Cb 1.28 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1ik0 h PHE 95 CO 0.07 0.06 0.09 0.28 -2.02 0.00 0.00 178.31 176.79 1ik0 h VAL 96 N 0.11 1.05 -0.49 1.41 2.07 -0.99 -1.00 116.25 118.41 1ik0 h VAL 96 Ca 0.04 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ik0 h VAL 96 Cb -0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ik0 h VAL 96 CO -0.02 0.05 0.20 0.11 0.02 0.00 0.00 177.57 177.93 1ik0 h LYS 97 N 0.18 0.73 -0.99 1.57 1.57 -1.29 -0.04 116.57 118.30 1ik0 h LYS 97 Ca 0.05 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ik0 h LYS 97 Cb -0.00 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1ik0 h LYS 97 CO -0.01 0.64 0.66 -0.44 -0.57 0.00 0.00 179.45 179.73 1ik0 h ASP 98 N 0.65 1.13 -0.80 0.86 3.32 -0.59 -1.02 116.42 119.96 1ik0 h ASP 98 Ca 0.16 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1ik0 h ASP 98 Cb 0.18 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1ik0 h ASP 98 CO -0.02 0.81 0.33 0.25 -1.72 0.00 0.00 179.24 178.89 1ik0 h LEU 99 N 1.33 1.10 -0.81 1.55 5.85 -0.60 -2.84 115.31 120.90 1ik0 h LEU 99 Ca 0.37 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1ik0 h LEU 99 Cb -0.13 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.53 1ik0 h LEU 99 CO -0.09 0.97 0.43 0.25 -0.34 0.00 0.00 178.44 179.66 1ik0 h LEU 100 N 1.17 0.56 -1.01 2.25 5.85 0.36 -0.39 115.31 124.08 1ik0 h LEU 100 Ca 0.27 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1ik0 h LEU 100 Cb 0.21 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1ik0 h LEU 100 CO -0.02 0.28 0.67 -0.07 -0.34 0.00 0.00 178.44 178.96 1ik0 h LEU 101 N 0.67 1.16 -0.33 2.25 -0.00 -1.29 -2.54 115.31 115.23 1ik0 h LEU 101 Ca 0.41 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 58.09 1ik0 h LEU 101 Cb 0.48 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1ik0 h LEU 101 CO -0.30 0.84 -0.49 0.45 -0.00 0.00 0.00 178.44 178.94 1ik0 h HIS 102 N 1.37 1.12 -0.15 1.13 3.86 -1.14 -2.60 115.15 118.73 1ik0 h HIS 102 Ca 0.37 -0.38 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1ik0 h HIS 102 Cb -0.15 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 1ik0 h HIS 102 CO -0.00 1.21 0.04 -0.07 0.86 0.00 0.00 177.93 179.97 1ik0 h LEU 103 N 0.72 0.02 -1.46 2.43 3.38 -0.79 -1.33 115.31 118.29 1ik0 h LEU 103 Ca 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1ik0 h LEU 103 Cb 1.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ik0 h LEU 103 CO 0.11 0.04 -0.27 0.07 0.09 0.00 0.00 178.44 178.48 1ik0 h LYS 104 N 0.10 0.00 -0.13 1.13 2.10 -1.54 -3.02 116.57 115.21 1ik0 h LYS 104 Ca 0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.69 1ik0 h LYS 104 Cb 0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1ik0 h LYS 104 CO -0.08 0.27 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.39 1ik0 h LYS 105 N 0.00 0.25 -0.29 0.07 3.64 -0.87 -2.89 116.57 116.49 1ik0 h LYS 105 Ca -0.00 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1ik0 h LYS 105 Cb 0.54 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ik0 h LYS 105 CO 0.04 0.54 0.15 -0.07 -2.27 0.00 0.00 179.45 177.84 1ik0 h LEU 106 N -0.06 0.34 -0.99 5.20 -0.00 -1.23 -2.06 115.31 116.51 1ik0 h LEU 106 Ca 0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1ik0 h LEU 106 Cb 0.45 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.97 1ik0 h LEU 106 CO 0.01 0.29 0.66 0.15 -0.00 0.00 0.00 178.44 179.55 1ik0 h PHE 107 N 0.39 1.25 -0.48 1.13 3.57 -1.39 -1.26 116.94 120.16 1ik0 h PHE 107 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ik0 h PHE 107 Cb 0.03 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 1ik0 h PHE 107 CO 0.00 0.78 0.30 0.00 -2.23 0.00 0.00 178.31 177.16 1ik0 h ARG 108 N 1.34 0.64 0.00 1.11 3.08 -1.27 -0.95 114.38 118.34 1ik0 h ARG 108 Ca 0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1ik0 h ARG 108 Cb -0.14 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1ik0 h ARG 108 CO -0.08 0.44 -0.21 0.93 -1.07 0.00 0.00 179.97 179.98 1ik0 h GLU 109 N 0.66 0.00 0.00 0.04 5.08 -1.33 -3.46 114.58 115.57 1ik0 h GLU 109 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ik0 h GLU 109 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ik0 h GLU 109 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1ik0 n GLY 110 N 1.29 0.35 3.41 -3.84 0.00 -0.36 -4.91 105.19 101.13 1ik0 n GLY 110 Ca 0.05 0.00 -0.44 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 -0.76 3.23 0.00 1.61 0.52 -1.24 -5.02 118.95 117.30 1ik0 s ARG 111 Ca 0.00 -1.37 -0.16 0.00 -0.52 0.00 0.00 55.73 53.68 1ik0 s ARG 111 Cb 0.00 -4.42 -0.06 0.00 0.52 0.00 0.00 34.95 30.99 1ik0 s ARG 111 CO 0.00 -1.66 0.44 -0.06 0.02 0.00 0.00 175.30 174.04 1ik0 s PHE 112 N 2.89 3.73 0.00 -0.53 0.08 -1.26 -4.87 117.98 118.02 1ik0 s PHE 112 Ca 0.20 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1ik0 s PHE 112 Cb -0.17 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1ik0 s PHE 112 CO 0.03 0.60 0.00 -1.71 -0.10 0.00 0.00 175.22 174.03