#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ilh s LYS 6 N 0.00 0.25 -0.03 2.89 -0.14 -1.26 -4.98 119.74 116.48 3ilh s LYS 6 Ca 0.00 0.30 0.06 0.00 -1.36 0.00 0.00 55.97 54.97 3ilh s LYS 6 Cb 0.00 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 3ilh s LYS 6 CO 0.00 -2.80 -0.21 0.42 -0.76 0.00 0.00 175.35 172.00 3ilh s ILE 7 N -3.09 1.68 0.06 2.17 -1.09 0.69 -4.96 121.20 116.66 3ilh s ILE 7 Ca 0.66 -0.89 -0.32 0.00 -2.23 0.00 0.00 60.65 57.87 3ilh s ILE 7 Cb -0.16 -1.41 -0.18 0.00 -1.58 0.00 0.00 42.46 39.13 3ilh s ILE 7 CO 0.56 0.48 1.57 0.44 -1.23 0.00 0.00 174.94 176.76 3ilh h ASP 8 N 5.78 -0.72 -5.02 3.58 5.19 -1.95 2.06 116.42 125.34 3ilh h ASP 8 Ca -0.37 0.01 0.20 0.00 -0.62 0.00 0.00 57.03 56.24 3ilh h ASP 8 Cb 1.15 0.18 -0.13 0.00 0.18 0.00 0.00 39.33 40.71 3ilh h ASP 8 CO 0.48 -0.48 0.60 -0.94 -3.12 0.00 0.00 179.24 175.78 3ilh s SER 9 N -4.48 -0.21 -0.01 6.45 1.04 -1.26 -2.44 113.70 112.79 3ilh s SER 9 Ca -0.17 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.12 3ilh s SER 9 Cb 0.03 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.49 3ilh s SER 9 CO 0.60 -0.59 -0.08 0.68 0.98 0.00 0.00 173.24 174.84 3ilh s VAL 10 N -2.93 0.63 -0.20 5.02 -7.23 -1.08 -1.49 120.40 113.13 3ilh s VAL 10 Ca 0.10 -0.31 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 3ilh s VAL 10 Cb -0.00 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 3ilh s VAL 10 CO -0.04 0.19 0.04 -0.22 -0.31 0.00 0.00 175.10 174.77 3ilh s LEU 11 N 0.02 3.59 -0.10 1.32 2.96 0.73 -1.97 118.68 125.23 3ilh s LEU 11 Ca 0.00 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3ilh s LEU 11 Cb -0.05 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3ilh s LEU 11 CO -0.00 0.11 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.34 3ilh s LEU 12 N 0.72 3.31 -0.24 -0.68 1.43 0.15 -1.57 118.68 121.80 3ilh s LEU 12 Ca 0.02 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3ilh s LEU 12 Cb -0.14 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.39 3ilh s LEU 12 CO 0.02 0.30 -0.05 -0.63 0.23 0.00 0.00 176.35 176.21 3ilh s ILE 13 N -0.42 1.57 -0.06 -0.59 1.01 0.23 0.39 121.20 123.32 3ilh s ILE 13 Ca 0.07 -1.25 -0.25 0.00 0.00 0.00 0.00 60.65 59.22 3ilh s ILE 13 Cb -0.12 -1.83 0.05 0.00 0.01 0.00 0.00 42.46 40.57 3ilh s ILE 13 CO 0.02 -0.11 0.56 -0.62 0.00 0.00 0.00 174.94 174.79 3ilh s ASP 14 N 1.38 -0.51 0.00 3.58 -1.08 -0.91 -1.13 116.67 117.99 3ilh s ASP 14 Ca -0.06 0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.82 3ilh s ASP 14 Cb -0.19 0.56 0.49 0.00 -1.46 0.00 0.00 42.92 42.33 3ilh s ASP 14 CO -0.06 -0.51 1.40 -0.90 0.52 0.00 0.00 175.17 175.62 3ilh n ASP 15 N 1.27 0.82 -4.47 -0.34 5.68 -1.26 -3.89 116.55 114.37 3ilh n ASP 15 Ca -0.19 -0.62 -0.43 0.00 -0.50 0.00 0.00 54.79 53.04 3ilh n ASP 15 Cb 0.57 0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.79 3ilh n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ilh s ASP 16 N -2.79 6.26 0.22 -1.12 -1.08 -1.26 -4.96 116.67 111.94 3ilh s ASP 16 Ca 0.16 -0.74 -0.09 0.00 -0.52 0.00 0.00 52.55 51.36 3ilh s ASP 16 Cb 0.18 -2.36 0.18 0.00 -1.46 0.00 0.00 42.92 39.46 3ilh s ASP 16 CO 0.65 -1.09 1.89 0.44 0.52 0.00 0.00 175.17 177.57 3ilh h ASP 17 N 9.19 0.95 -0.96 -0.34 5.19 -1.99 -1.44 116.42 127.01 3ilh h ASP 17 Ca -0.27 -0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.20 3ilh h ASP 17 Cb 1.08 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.28 3ilh h ASP 17 CO 1.04 0.70 0.62 0.40 -3.12 0.00 0.00 179.24 178.88 3ilh h ILE 18 N 1.11 0.98 -0.31 0.35 1.08 -1.98 0.29 117.51 119.04 3ilh h ILE 18 Ca 0.30 -0.34 -0.07 0.00 -0.39 0.00 0.00 64.86 64.35 3ilh h ILE 18 Cb -0.11 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.52 3ilh h ILE 18 CO -0.06 0.18 -0.10 0.58 -0.69 0.00 0.00 178.15 178.06 3ilh h VAL 19 N 1.01 1.28 -0.95 1.67 2.07 -1.78 0.27 116.25 119.82 3ilh h VAL 19 Ca 0.45 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3ilh h VAL 19 Cb 0.38 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3ilh h VAL 19 CO -0.21 0.37 0.61 0.78 0.02 0.00 0.00 177.57 179.14 3ilh h ASN 20 N 0.37 0.97 -0.61 0.57 -0.26 -0.10 0.23 115.58 116.75 3ilh h ASN 20 Ca 0.07 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3ilh h ASN 20 Cb 0.60 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 3ilh h ASN 20 CO 0.03 0.63 0.23 0.15 -1.06 0.00 0.00 177.43 177.41 3ilh h PHE 21 N 1.11 0.95 -0.36 1.19 3.57 -0.17 -0.78 116.94 122.45 3ilh h PHE 21 Ca 0.41 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3ilh h PHE 21 Cb 0.15 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3ilh h PHE 21 CO -0.01 0.76 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.69 3ilh h LEU 22 N 0.86 0.69 -0.96 0.59 4.07 0.34 -1.42 115.31 119.48 3ilh h LEU 22 Ca 0.20 -0.35 -0.09 0.00 0.08 0.00 0.00 57.88 57.72 3ilh h LEU 22 Cb 0.23 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 3ilh h LEU 22 CO -0.01 0.88 -0.18 0.78 -1.08 0.00 0.00 178.44 178.83 3ilh h ASN 23 N 0.49 0.54 0.78 -0.43 2.35 -0.29 -1.59 115.58 117.43 3ilh h ASN 23 Ca 0.09 -0.16 -0.22 0.00 -0.55 0.00 0.00 56.30 55.46 3ilh h ASN 23 Cb 0.57 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 3ilh h ASN 23 CO 0.03 0.74 -1.00 0.00 -1.65 0.00 0.00 177.43 175.54 3ilh h THR 24 N 0.50 1.59 -0.51 2.81 1.03 -0.95 -0.69 112.91 116.69 3ilh h THR 24 Ca 0.08 -3.06 0.05 0.00 -0.01 0.00 0.00 66.41 63.48 3ilh h THR 24 Cb 0.59 2.73 -0.05 0.00 -1.07 0.00 0.00 68.15 70.36 3ilh h THR 24 CO 0.04 0.88 0.23 0.74 -0.01 0.00 0.00 175.52 177.40 3ilh h THR 25 N 0.05 0.91 -0.07 0.00 2.02 -1.01 0.43 112.91 115.24 3ilh h THR 25 Ca -0.05 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 3ilh h THR 25 Cb 1.71 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3ilh h THR 25 CO 0.15 0.08 -0.63 0.40 0.37 0.00 0.00 175.52 175.89 3ilh h ILE 26 N 0.45 1.39 -0.34 3.11 2.04 -1.00 0.71 117.51 123.87 3ilh h ILE 26 Ca 0.23 -2.02 -0.08 0.00 1.00 0.00 0.00 64.86 63.99 3ilh h ILE 26 Cb 0.18 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3ilh h ILE 26 CO -0.19 0.60 -0.09 0.40 0.00 0.00 0.00 178.15 178.88 3ilh h ILE 27 N 0.20 1.28 0.10 -0.67 2.04 -0.98 -3.09 117.51 116.39 3ilh h ILE 27 Ca -0.01 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3ilh h ILE 27 Cb 1.15 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 3ilh h ILE 27 CO 0.10 0.37 -0.53 0.03 0.00 0.00 0.00 178.15 178.12 3ilh h ARG 28 N 0.44 -0.72 0.00 2.37 3.08 0.15 -0.54 114.38 119.16 3ilh h ARG 28 Ca 0.08 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3ilh h ARG 28 Cb 0.59 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3ilh h ARG 28 CO 0.03 -0.48 0.67 -1.33 -1.07 0.00 0.00 179.97 177.80 3ilh n MET 29 N -5.46 0.02 0.03 0.04 2.81 0.24 -0.42 117.12 114.39 3ilh n MET 29 Ca -0.08 0.46 0.11 0.00 -1.81 0.00 0.00 57.70 56.38 3ilh n MET 29 Cb 0.41 -2.24 0.03 0.00 -0.71 0.00 0.00 33.22 30.72 3ilh n MET 29 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3ilh n THR 30 N -1.75 0.21 -0.73 2.03 5.66 -0.21 -4.95 114.28 114.54 3ilh n THR 30 Ca -0.00 -0.27 -0.02 0.00 -3.05 0.00 0.00 64.05 60.71 3ilh n THR 30 Cb 0.67 0.13 -0.01 0.00 -1.55 0.00 0.00 70.33 69.57 3ilh n THR 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3ilh n HIS 31 N -2.03 -0.07 0.22 1.09 -0.00 0.44 -4.81 115.22 110.06 3ilh n HIS 31 Ca 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.83 3ilh n HIS 31 Cb 0.45 -1.59 0.17 0.00 -0.00 0.00 0.00 29.99 29.02 3ilh n HIS 31 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3ilh n ARG 32 N 0.15 2.24 -4.90 -0.41 3.00 -1.26 -4.99 116.66 110.48 3ilh n ARG 32 Ca -0.02 -2.05 -0.27 0.00 -0.00 0.00 0.00 57.85 55.51 3ilh n ARG 32 Cb 0.32 -1.41 -0.16 0.00 0.00 0.00 0.00 32.46 31.20 3ilh n ARG 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ilh s VAL 33 N -1.28 1.52 0.00 5.15 1.01 -1.26 -0.22 120.40 125.32 3ilh s VAL 33 Ca 0.31 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 3ilh s VAL 33 Cb 0.18 -1.30 -0.18 0.00 0.00 0.00 0.00 36.38 35.08 3ilh s VAL 33 CO 0.25 0.43 1.27 -0.33 0.00 0.00 0.00 175.10 176.73 3ilh h GLU 34 N 6.19 0.20 -3.57 2.72 4.39 0.33 -3.46 114.58 121.37 3ilh h GLU 34 Ca -0.33 -0.12 -0.21 0.00 0.34 0.00 0.00 59.36 59.05 3ilh h GLU 34 Cb 1.17 0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 29.56 3ilh h GLU 34 CO 0.48 0.67 -0.63 -2.00 -1.16 0.00 0.00 179.01 176.37 3ilh s GLU 35 N -4.13 0.12 -0.10 2.33 2.12 -1.02 -5.01 118.70 113.00 3ilh s GLU 35 Ca -0.15 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3ilh s GLU 35 Cb 0.03 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.49 3ilh s GLU 35 CO 0.72 -0.02 -0.18 0.42 -0.54 0.00 0.00 175.26 175.67 3ilh s ILE 36 N -0.10 1.66 0.34 -3.70 1.01 -1.26 -2.64 121.20 116.51 3ilh s ILE 36 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3ilh s ILE 36 Cb -0.01 -1.48 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 3ilh s ILE 36 CO 0.00 0.47 0.05 -1.10 0.00 0.00 0.00 174.94 174.36 3ilh s GLN 37 N 0.73 1.71 -0.05 2.79 -0.21 -0.83 -5.01 119.66 118.79 3ilh s GLN 37 Ca -0.11 -1.95 -0.02 0.00 0.02 0.00 0.00 55.36 53.29 3ilh s GLN 37 Cb -0.16 -1.02 0.03 0.00 1.00 0.00 0.00 33.01 32.86 3ilh s GLN 37 CO 0.02 -0.16 0.11 0.45 -2.12 0.00 0.00 175.29 173.59 3ilh s SER 38 N -3.53 -0.07 0.18 5.90 0.15 -1.26 0.32 113.70 115.39 3ilh s SER 38 Ca 0.36 0.22 0.07 0.00 0.70 0.00 0.00 55.95 57.29 3ilh s SER 38 Cb 0.09 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 3ilh s SER 38 CO 0.16 -0.11 -0.13 0.68 1.20 0.00 0.00 173.24 175.04 3ilh s VAL 39 N 0.79 1.54 -0.18 4.45 -7.23 0.16 -4.92 120.40 115.01 3ilh s VAL 39 Ca -0.06 -2.12 0.16 0.00 -1.81 0.00 0.00 61.98 58.15 3ilh s VAL 39 Cb -0.08 -1.94 0.49 0.00 0.56 0.00 0.00 36.38 35.41 3ilh s VAL 39 CO -0.03 -0.62 1.39 0.35 -0.31 0.00 0.00 175.10 175.87 3ilh n THR 40 N -0.24 2.26 -3.77 5.32 -2.24 -1.25 -2.14 114.28 112.22 3ilh n THR 40 Ca -0.09 -2.04 -0.04 0.00 -2.27 0.00 0.00 64.05 59.61 3ilh n THR 40 Cb 0.60 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3ilh n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ilh s SER 41 N -2.15 -0.16 0.08 3.42 1.04 -1.26 -4.10 113.70 110.57 3ilh s SER 41 Ca 0.41 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 3ilh s SER 41 Cb 0.34 0.50 -0.13 0.00 0.10 0.00 0.00 66.02 66.83 3ilh s SER 41 CO 0.07 -0.94 1.33 1.23 0.98 0.00 0.00 173.24 175.91 3ilh h GLY 42 N 2.00 0.74 0.48 7.32 0.00 -1.86 0.78 103.07 112.53 3ilh h GLY 42 Ca -0.24 -0.92 -0.04 0.00 0.00 0.00 0.00 47.33 46.13 3ilh h GLY 42 CO 0.26 0.83 -0.13 -0.57 0.00 0.00 0.00 176.54 176.93 3ilh h ASN 43 N 0.37 0.17 -1.00 0.19 -1.24 -1.95 -1.91 115.58 110.21 3ilh h ASN 43 Ca -0.01 -0.66 0.24 0.00 0.71 0.00 0.00 56.30 56.59 3ilh h ASN 43 Cb 1.11 -0.05 -0.12 0.00 0.73 0.00 0.00 38.32 39.98 3ilh h ASN 43 CO 0.11 0.80 0.58 0.00 -1.29 0.00 0.00 177.43 177.62 3ilh h ALA 44 N 0.38 1.76 0.66 1.57 0.00 -1.93 -0.99 119.26 120.70 3ilh h ALA 44 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ilh h ALA 44 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ilh h ALA 44 CO 0.03 -0.26 -0.48 0.00 0.00 0.00 0.00 179.25 178.54 3ilh h ALA 45 N 1.72 -1.17 -0.80 0.00 0.00 0.12 -1.56 119.26 117.57 3ilh h ALA 45 Ca 0.63 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.41 3ilh h ALA 45 Cb 1.19 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.50 3ilh h ALA 45 CO -0.47 -1.18 -0.43 -0.89 0.00 0.00 0.00 179.25 176.27 3ilh n ILE 46 N -5.59 -0.51 -0.29 0.00 2.08 -0.78 -0.29 119.36 113.99 3ilh n ILE 46 Ca -0.14 1.93 -0.04 0.00 0.56 0.00 0.00 62.75 65.07 3ilh n ILE 46 Cb 0.47 -2.43 0.08 0.00 -0.75 0.00 0.00 39.64 37.01 3ilh n ILE 46 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3ilh h ASN 47 N 0.00 0.88 -0.10 4.38 -0.26 -0.97 0.39 115.58 119.90 3ilh h ASN 47 Ca 0.17 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3ilh h ASN 47 Cb 0.37 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3ilh h ASN 47 CO -0.77 0.63 -0.10 0.50 -1.06 0.00 0.00 177.43 176.63 3ilh h LYS 48 N 1.04 0.25 -0.82 0.81 3.64 -0.75 -0.83 116.57 119.91 3ilh h LYS 48 Ca 0.30 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3ilh h LYS 48 Cb -0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3ilh h LYS 48 CO -0.08 0.66 0.54 -0.07 -2.27 0.00 0.00 179.45 178.24 3ilh h LEU 49 N -0.15 0.90 0.31 5.20 3.38 -0.50 0.63 115.31 125.07 3ilh h LEU 49 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ilh h LEU 49 Cb 0.61 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ilh h LEU 49 CO 0.02 0.63 -0.15 0.78 0.09 0.00 0.00 178.44 179.82 3ilh h ASN 50 N 1.05 -0.35 -0.50 -0.43 2.35 -0.96 0.75 115.58 117.50 3ilh h ASN 50 Ca 0.31 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 3ilh h ASN 50 Cb -0.03 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3ilh h ASN 50 CO -0.08 -0.21 0.33 -0.08 -1.65 0.00 0.00 177.43 175.74 3ilh h GLU 51 N -0.46 0.61 -0.25 0.81 4.81 -0.62 -1.94 114.58 117.53 3ilh h GLU 51 Ca -0.04 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 3ilh h GLU 51 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3ilh h GLU 51 CO 0.07 0.40 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.29 3ilh h LEU 52 N 0.62 0.62 -1.27 1.64 4.07 -0.00 -3.25 115.31 117.75 3ilh h LEU 52 Ca 0.19 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 3ilh h LEU 52 Cb 0.00 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 3ilh h LEU 52 CO -0.05 0.94 0.28 1.88 -1.08 0.00 0.00 178.44 180.42 3ilh h TYR 53 N 0.49 0.77 0.00 1.13 -1.99 0.13 -0.19 116.97 117.31 3ilh h TYR 53 Ca 0.04 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3ilh h TYR 53 Cb 0.89 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.37 3ilh h TYR 53 CO 0.04 0.56 0.01 0.00 -0.00 0.00 0.00 178.16 178.77 3ilh n ALA 54 N -2.45 1.07 -2.41 3.88 0.00 -1.17 -4.54 120.51 114.89 3ilh n ALA 54 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 3ilh n ALA 54 Cb 0.12 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 3ilh n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ilh s ALA 55 N -2.75 2.22 0.47 0.00 0.00 -0.08 -4.98 121.76 116.64 3ilh s ALA 55 Ca 0.00 -1.89 0.27 0.00 0.00 0.00 0.00 51.96 50.34 3ilh s ALA 55 Cb 0.00 0.32 1.32 0.00 0.00 0.00 0.00 23.12 24.76 3ilh s ALA 55 CO 0.00 -0.15 1.81 0.78 0.00 0.00 0.00 175.76 178.20 3ilh h GLY 56 N 2.30 0.59 -5.50 0.00 0.00 -1.80 -3.43 103.07 95.23 3ilh h GLY 56 Ca -0.40 -0.10 -0.70 0.00 0.00 0.00 0.00 47.33 46.13 3ilh h GLY 56 CO 0.67 -0.06 0.27 0.54 0.00 0.00 0.00 176.54 177.96 3ilh n ARG 57 N -4.41 0.79 -3.67 4.80 1.74 -1.25 -4.99 116.66 109.67 3ilh n ARG 57 Ca 0.24 0.28 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 3ilh n ARG 57 Cb 1.01 -1.83 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 3ilh n ARG 57 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ilh s TRP 58 N 0.16 -0.81 0.21 -1.55 -0.00 -1.26 -3.70 118.94 111.98 3ilh s TRP 58 Ca 0.83 1.64 -0.32 0.00 -0.00 0.00 0.00 56.10 58.25 3ilh s TRP 58 Cb -1.02 0.42 -0.13 0.00 -0.00 0.00 0.00 33.47 32.74 3ilh s TRP 58 CO 0.51 -0.44 1.65 -0.35 -0.00 0.00 0.00 176.95 178.33 3ilh n PRO 59 N 4.49 2.57 -0.26 5.86 -0.04 -1.26 -4.88 135.00 141.49 3ilh n PRO 59 Ca -0.20 0.93 0.07 0.00 -0.04 0.00 0.00 63.50 64.25 3ilh n PRO 59 Cb 0.55 -2.73 0.20 0.00 -0.04 0.00 0.00 33.50 31.48 3ilh n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ilh h SER 60 N 6.14 0.04 -4.29 3.54 0.87 -1.75 -3.42 113.55 114.67 3ilh h SER 60 Ca -0.44 0.15 -0.40 0.00 -1.23 0.00 0.00 61.79 59.87 3ilh h SER 60 Cb 1.22 0.20 -0.26 0.00 -0.44 0.00 0.00 62.40 63.12 3ilh h SER 60 CO 0.91 -0.04 -0.78 -0.63 -0.53 0.00 0.00 176.83 175.75 3ilh s ILE 61 N -6.03 0.90 -0.12 2.23 1.01 -0.55 -3.29 121.20 115.36 3ilh s ILE 61 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3ilh s ILE 61 Cb 0.22 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3ilh s ILE 61 CO 0.76 0.01 -0.18 -0.63 0.00 0.00 0.00 174.94 174.90 3ilh s ILE 62 N -0.72 1.72 -0.04 2.92 1.01 0.27 -0.19 121.20 126.17 3ilh s ILE 62 Ca 0.01 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3ilh s ILE 62 Cb -0.07 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3ilh s ILE 62 CO 0.01 0.48 -0.16 0.00 0.00 0.00 0.00 174.94 175.27 3ilh s ILE 64 N -0.72 -0.15 0.03 0.00 1.01 -0.67 0.75 121.20 121.46 3ilh s ILE 64 Ca 0.11 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 3ilh s ILE 64 Cb -0.11 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 3ilh s ILE 64 CO 0.00 0.13 1.31 -0.62 0.00 0.00 0.00 174.94 175.77 3ilh s ASP 65 N 1.85 6.94 0.08 3.58 2.15 -0.29 -1.35 116.67 129.63 3ilh s ASP 65 Ca -0.01 2.08 -0.31 0.00 0.43 0.00 0.00 52.55 54.74 3ilh s ASP 65 Cb -0.12 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 39.75 3ilh s ASP 65 CO -0.05 -0.61 1.64 0.40 -0.17 0.00 0.00 175.17 176.38 3ilh h ILE 66 N 4.68 0.41 -3.35 4.11 2.04 -1.64 -3.32 117.51 120.44 3ilh h ILE 66 Ca -0.39 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 64.88 3ilh h ILE 66 Cb 1.19 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3ilh h ILE 66 CO 0.86 0.00 0.56 0.20 0.00 0.00 0.00 178.15 179.78 3ilh s ASN 67 N -4.52 6.79 -0.13 1.72 0.01 -1.26 -1.69 114.94 115.85 3ilh s ASN 67 Ca -0.17 0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 52.69 3ilh s ASN 67 Cb 0.04 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.28 3ilh s ASN 67 CO 0.63 -0.68 0.43 -0.04 -1.51 0.00 0.00 177.10 175.94 3ilh s MET 68 N 3.15 0.57 0.25 -0.60 -1.94 -1.26 -4.79 119.30 114.68 3ilh s MET 68 Ca 0.37 0.46 -0.30 0.00 -1.71 0.00 0.00 55.69 54.51 3ilh s MET 68 Cb -0.14 0.27 -0.10 0.00 2.01 0.00 0.00 34.83 36.87 3ilh s MET 68 CO 0.12 -0.10 1.50 -2.14 -0.01 0.00 0.00 175.02 174.39 3ilh s PRO 69 N -0.11 4.22 1.31 2.03 0.02 -1.26 -4.39 135.00 136.81 3ilh s PRO 69 Ca -0.03 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3ilh s PRO 69 Cb -0.03 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3ilh s PRO 69 CO 0.02 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3ilh n GLY 70 N 2.42 -1.49 3.71 0.52 0.00 -1.26 -4.78 105.19 104.32 3ilh n GLY 70 Ca 0.08 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3ilh n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ilh n ILE 71 N 0.00 1.90 -1.67 -0.61 -5.35 -1.26 -5.00 119.36 107.37 3ilh n ILE 71 Ca 0.00 -0.48 -0.04 0.00 -0.27 0.00 0.00 62.75 61.96 3ilh n ILE 71 Cb 0.00 -1.64 0.03 0.00 -1.74 0.00 0.00 39.64 36.29 3ilh n ILE 71 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3ilh n ASN 72 N 0.85 0.11 0.08 7.28 0.23 -1.26 -4.63 115.26 117.91 3ilh n ASN 72 Ca 0.05 -1.13 -0.06 0.00 -0.53 0.00 0.00 54.58 52.91 3ilh n ASN 72 Cb 0.36 -0.14 0.08 0.00 -2.08 0.00 0.00 39.78 38.00 3ilh n ASN 72 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3ilh h GLY 73 N -0.20 0.25 0.92 4.83 0.00 -1.42 0.48 103.07 107.93 3ilh h GLY 73 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3ilh h GLY 73 CO 0.05 0.31 -0.12 1.49 0.00 0.00 0.00 176.54 178.28 3ilh h TRP 74 N 0.16 -0.30 -0.90 5.60 4.06 -1.90 0.42 115.95 123.09 3ilh h TRP 74 Ca -0.02 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.04 3ilh h TRP 74 Cb 1.23 0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 29.42 3ilh h TRP 74 CO 0.02 -0.12 0.58 0.93 -3.56 0.00 0.00 178.44 176.29 3ilh h GLU 75 N -0.41 0.80 -0.62 0.49 5.08 -1.90 0.13 114.58 118.16 3ilh h GLU 75 Ca -0.03 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3ilh h GLU 75 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3ilh h GLU 75 CO 0.05 0.53 0.10 1.25 -1.00 0.00 0.00 179.01 179.95 3ilh h LEU 76 N 0.83 0.99 -0.31 1.33 5.85 -0.49 -1.36 115.31 122.14 3ilh h LEU 76 Ca 0.43 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ilh h LEU 76 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3ilh h LEU 76 CO -0.19 1.00 0.14 0.40 -0.34 0.00 0.00 178.44 179.45 3ilh h ILE 77 N 0.94 1.16 -1.03 4.05 2.04 -0.16 0.23 117.51 124.74 3ilh h ILE 77 Ca 0.19 -0.48 0.30 0.00 1.00 0.00 0.00 64.86 65.87 3ilh h ILE 77 Cb 0.43 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3ilh h ILE 77 CO 0.01 0.17 0.74 0.44 0.00 0.00 0.00 178.15 179.51 3ilh h ASP 78 N 0.36 0.02 0.39 1.72 3.45 -0.52 0.20 116.42 122.04 3ilh h ASP 78 Ca 0.11 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.25 3ilh h ASP 78 Cb 0.14 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3ilh h ASP 78 CO -0.01 0.01 -1.57 -0.07 -1.57 0.00 0.00 179.24 176.02 3ilh h LEU 79 N 0.02 0.47 -0.64 1.55 3.38 0.46 -3.14 115.31 117.42 3ilh h LEU 79 Ca 0.50 -0.65 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3ilh h LEU 79 Cb 1.95 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 3ilh h LEU 79 CO -0.02 1.54 0.24 -0.26 0.09 0.00 0.00 178.44 180.03 3ilh h PHE 80 N 0.08 0.42 0.00 1.13 -1.00 0.19 -0.25 116.94 117.50 3ilh h PHE 80 Ca -0.26 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.55 3ilh h PHE 80 Cb 2.04 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 41.51 3ilh h PHE 80 CO 0.08 0.10 0.09 1.63 -1.61 0.00 0.00 178.31 178.59 3ilh n LYS 81 N -5.00 0.00 0.00 1.51 5.02 0.43 -0.14 118.16 119.98 3ilh n LYS 81 Ca 0.10 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3ilh n LYS 81 Cb 0.30 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3ilh n LYS 81 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3ilh n GLN 82 N -1.32 1.10 0.00 1.97 -0.06 -0.24 -4.64 117.38 114.19 3ilh n GLN 82 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 3ilh n GLN 82 Cb 0.09 -0.34 0.00 0.00 -4.06 0.00 0.00 30.24 25.92 3ilh n GLN 82 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 3ilh n HIS 83 N -0.17 0.00 -1.25 3.69 -0.00 -0.40 -4.84 115.22 112.24 3ilh n HIS 83 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 3ilh n HIS 83 Cb 0.07 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.06 3ilh n HIS 83 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3ilh n PHE 84 N -2.04 0.00 0.04 1.57 0.99 0.80 -4.79 117.46 114.02 3ilh n PHE 84 Ca 0.00 -0.83 0.19 0.00 -0.00 0.00 0.00 57.45 56.82 3ilh n PHE 84 Cb 0.40 -0.13 0.71 0.00 -1.00 0.00 0.00 39.48 39.46 3ilh n PHE 84 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3ilh h GLN 85 N 0.02 0.00 -0.57 -1.08 1.08 -1.80 -0.41 115.11 112.35 3ilh h GLN 85 Ca -0.00 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 3ilh h GLN 85 Cb 1.08 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.40 3ilh h GLN 85 CO 0.00 0.00 -0.16 -2.30 -0.95 0.00 0.00 178.83 175.42 3ilh n PRO 86 N -4.25 -0.07 -0.40 1.46 -0.02 -1.26 -1.33 135.00 129.13 3ilh n PRO 86 Ca 0.08 0.89 0.06 0.00 -2.02 0.00 0.00 63.50 62.51 3ilh n PRO 86 Cb 0.56 -1.33 0.23 0.00 -0.02 0.00 0.00 33.50 32.94 3ilh n PRO 86 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ilh n MET 87 N -4.91 2.74 -0.35 -0.52 2.81 -0.16 -4.41 117.12 112.33 3ilh n MET 87 Ca 0.08 -1.81 0.04 0.00 -1.81 0.00 0.00 57.70 54.20 3ilh n MET 87 Cb 0.27 -1.66 0.19 0.00 -0.71 0.00 0.00 33.22 31.31 3ilh n MET 87 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3ilh h LYS 88 N 2.60 1.00 -0.42 0.03 3.64 -1.30 -2.13 116.57 119.98 3ilh h LYS 88 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ilh h LYS 88 Cb 1.02 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3ilh h LYS 88 CO 0.15 0.66 0.00 0.27 -2.27 0.00 0.00 179.45 178.26 3ilh n ASN 89 N -4.59 3.45 -0.41 4.20 2.04 -1.26 -4.08 115.26 114.61 3ilh n ASN 89 Ca 0.16 -2.22 0.13 0.00 -0.44 0.00 0.00 54.58 52.21 3ilh n ASN 89 Cb 0.26 -0.36 0.34 0.00 -2.53 0.00 0.00 39.78 37.49 3ilh n ASN 89 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 3ilh n LYS 90 N 0.58 1.26 -4.41 -3.83 3.00 -0.81 -4.91 118.16 109.03 3ilh n LYS 90 Ca 0.17 -0.83 -0.26 0.00 -0.00 0.00 0.00 58.31 57.38 3ilh n LYS 90 Cb 0.59 -1.48 -0.12 0.00 0.00 0.00 0.00 35.03 34.02 3ilh n LYS 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3ilh s SER 91 N -2.31 3.36 -0.23 3.14 1.04 -1.18 -4.84 113.70 112.69 3ilh s SER 91 Ca 0.28 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 3ilh s SER 91 Cb 0.20 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 3ilh s SER 91 CO 0.45 0.11 -0.04 -0.63 0.98 0.00 0.00 173.24 174.11 3ilh s ILE 92 N -1.69 3.33 -0.22 -1.02 -1.09 -1.21 -4.99 121.20 114.32 3ilh s ILE 92 Ca 0.20 -0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 58.04 3ilh s ILE 92 Cb -0.08 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 3ilh s ILE 92 CO 0.09 0.38 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.41 3ilh s VAL 93 N 1.46 2.88 -0.16 2.92 1.01 -1.26 -0.56 120.40 126.69 3ilh s VAL 93 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3ilh s VAL 93 Cb -0.15 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3ilh s VAL 93 CO -0.03 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.37 3ilh s LEU 95 N 0.64 4.27 0.09 0.00 1.02 -0.56 -1.67 118.68 122.47 3ilh s LEU 95 Ca -0.05 0.34 0.05 0.00 0.02 0.00 0.00 54.13 54.49 3ilh s LEU 95 Cb -0.15 -2.37 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 3ilh s LEU 95 CO 0.03 0.31 -0.14 -0.76 0.02 0.00 0.00 176.35 175.81 3ilh s LEU 96 N -1.59 2.33 -0.18 1.79 1.02 -0.45 -1.29 118.68 120.30 3ilh s LEU 96 Ca 0.22 -0.70 -0.12 0.00 0.02 0.00 0.00 54.13 53.55 3ilh s LEU 96 Cb -0.12 -0.51 0.06 0.00 0.02 0.00 0.00 46.19 45.64 3ilh s LEU 96 CO 0.13 -0.12 0.45 -0.55 0.02 0.00 0.00 176.35 176.28 3ilh s SER 97 N -2.06 -0.56 0.17 2.29 0.15 -0.47 -1.54 113.70 111.68 3ilh s SER 97 Ca 0.03 0.97 -0.22 0.00 0.70 0.00 0.00 55.95 57.43 3ilh s SER 97 Cb -0.07 0.88 0.07 0.00 -1.71 0.00 0.00 66.02 65.19 3ilh s SER 97 CO 0.02 -0.19 1.61 0.28 1.20 0.00 0.00 173.24 176.16 3ilh h SER 98 N 6.71 -0.99 -3.20 5.45 0.02 -1.92 -3.28 113.55 116.34 3ilh h SER 98 Ca -0.34 0.18 -0.63 0.00 -0.84 0.00 0.00 61.79 60.17 3ilh h SER 98 Cb 1.19 0.48 -0.14 0.00 0.14 0.00 0.00 62.40 64.07 3ilh h SER 98 CO 0.26 -0.30 -0.54 -0.55 -1.14 0.00 0.00 176.83 174.56 3ilh s SER 99 N -5.08 5.80 0.07 3.07 0.15 -1.26 -4.35 113.70 112.10 3ilh s SER 99 Ca -0.15 0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.44 3ilh s SER 99 Cb 0.14 -1.96 -0.06 0.00 -1.71 0.00 0.00 66.02 62.43 3ilh s SER 99 CO 0.68 0.23 0.72 -0.22 1.20 0.00 0.00 173.24 175.85 3ilh s LEU 100 N 0.05 4.49 -0.01 3.45 2.96 -1.26 -5.04 118.68 123.32 3ilh s LEU 100 Ca 0.07 1.43 0.04 0.00 -0.22 0.00 0.00 54.13 55.44 3ilh s LEU 100 Cb -0.12 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 3ilh s LEU 100 CO 0.00 0.11 -0.12 1.51 -1.32 0.00 0.00 176.35 176.53 3ilh s ASP 101 N -0.47 1.38 0.24 3.68 1.47 -1.26 -5.04 116.67 116.67 3ilh s ASP 101 Ca 0.36 -0.21 -0.05 0.00 1.18 0.00 0.00 52.55 53.82 3ilh s ASP 101 Cb -0.21 -0.15 0.44 0.00 -0.34 0.00 0.00 42.92 42.66 3ilh s ASP 101 CO 0.22 0.14 1.70 -0.65 0.68 0.00 0.00 175.17 177.27 3ilh h PRO 102 N 5.84 0.32 -0.10 2.11 0.11 -1.99 -1.35 132.00 136.95 3ilh h PRO 102 Ca -0.33 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.79 3ilh h PRO 102 Cb 1.17 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3ilh h PRO 102 CO 0.49 0.21 -0.37 0.00 -0.21 0.00 0.00 178.00 178.12 3ilh h ARG 103 N 0.33 -0.38 -0.78 1.05 -0.00 -2.00 -0.90 114.38 111.71 3ilh h ARG 103 Ca 0.40 0.03 0.09 0.00 -0.50 0.00 0.00 59.98 60.00 3ilh h ARG 103 Cb 0.65 0.09 -0.05 0.00 0.00 0.00 0.00 29.97 30.66 3ilh h ARG 103 CO -0.46 -0.25 0.51 -0.44 0.00 0.00 0.00 179.97 179.33 3ilh h ASP 104 N -0.40 0.66 -0.42 7.04 3.32 -1.94 -1.54 116.42 123.15 3ilh h ASP 104 Ca 0.02 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ilh h ASP 104 Cb 0.46 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3ilh h ASP 104 CO -0.30 0.40 0.25 -0.61 -1.72 0.00 0.00 179.24 177.26 3ilh h GLN 105 N 0.74 0.57 -0.58 3.56 4.15 -0.41 -1.76 115.11 121.37 3ilh h GLN 105 Ca 0.36 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.75 3ilh h GLN 105 Cb 0.41 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3ilh h GLN 105 CO -0.13 0.43 0.36 0.00 -1.93 0.00 0.00 178.83 177.56 3ilh h ALA 106 N 1.10 0.75 -0.33 3.38 0.00 -0.36 -1.89 119.26 121.92 3ilh h ALA 106 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ilh h ALA 106 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ilh h ALA 106 CO -0.03 0.09 0.14 0.87 0.00 0.00 0.00 179.25 180.32 3ilh h LYS 107 N 0.70 0.48 -0.52 0.00 1.57 -0.87 0.05 116.57 117.98 3ilh h LYS 107 Ca 0.23 -0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3ilh h LYS 107 Cb 0.02 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.14 3ilh h LYS 107 CO -0.10 0.48 -0.20 0.00 -0.57 0.00 0.00 179.45 179.07 3ilh h ALA 108 N 0.98 0.22 -0.18 3.86 0.00 -1.19 0.68 119.26 123.63 3ilh h ALA 108 Ca 0.11 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3ilh h ALA 108 Cb 0.17 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ilh h ALA 108 CO -0.01 -0.52 0.09 0.93 0.00 0.00 0.00 179.25 179.75 3ilh h GLU 109 N -0.07 0.19 0.00 0.00 5.08 -1.14 -3.09 114.58 115.55 3ilh h GLU 109 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ilh h GLU 109 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ilh h GLU 109 CO -0.58 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 177.56 3ilh n ALA 110 N -2.18 -0.15 -1.59 3.43 0.00 -0.02 -4.71 120.51 115.29 3ilh n ALA 110 Ca -0.03 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.94 3ilh n ALA 110 Cb 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3ilh n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ilh n SER 111 N -1.88 1.48 -0.31 0.00 2.88 0.23 -4.86 113.62 111.16 3ilh n SER 111 Ca 0.00 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 3ilh n SER 111 Cb 0.00 -1.26 0.37 0.00 -0.75 0.00 0.00 64.21 62.57 3ilh n SER 111 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3ilh n ASP 112 N 1.76 1.18 0.01 -3.46 8.00 -1.26 -3.34 116.55 119.43 3ilh n ASP 112 Ca 0.13 -1.03 -0.04 0.00 0.71 0.00 0.00 54.79 54.55 3ilh n ASP 112 Cb 0.28 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.40 3ilh n ASP 112 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 3ilh h TRP 113 N 1.50 0.00 -3.53 1.24 4.06 -1.89 -3.47 115.95 113.86 3ilh h TRP 113 Ca 0.00 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.29 3ilh h TRP 113 Cb 0.53 0.00 -0.26 0.00 -1.00 0.00 0.00 29.16 28.43 3ilh h TRP 113 CO 0.00 0.80 -0.67 0.54 -3.56 0.00 0.00 178.44 175.55 3ilh s VAL 114 N -2.75 3.83 -1.88 1.49 0.11 -1.21 -4.34 120.40 115.63 3ilh s VAL 114 Ca -0.04 -0.42 0.26 0.00 -2.93 0.00 0.00 61.98 58.85 3ilh s VAL 114 Cb 0.08 -2.81 0.28 0.00 -1.53 0.00 0.00 36.38 32.40 3ilh s VAL 114 CO 0.82 0.32 1.55 0.47 -3.33 0.00 0.00 175.10 174.93 3ilh n ASP 115 N 4.86 1.18 -3.64 3.54 8.00 0.21 -4.55 116.55 126.15 3ilh n ASP 115 Ca -0.17 -1.03 -0.03 0.00 0.71 0.00 0.00 54.79 54.28 3ilh n ASP 115 Cb 0.50 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 3ilh n ASP 115 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ilh s TYR 116 N -2.43 -0.04 -0.18 1.24 5.04 -0.96 -4.96 117.35 115.06 3ilh s TYR 116 Ca 0.26 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.88 3ilh s TYR 116 Cb 0.19 0.50 0.09 0.00 0.35 0.00 0.00 41.96 43.09 3ilh s TYR 116 CO 0.50 -0.06 0.28 -0.47 -1.34 0.00 0.00 175.55 174.46 3ilh s TYR 117 N -1.87 -0.46 0.33 4.97 5.04 -1.26 -1.50 117.35 122.60 3ilh s TYR 117 Ca 0.11 0.70 0.04 0.00 -2.44 0.00 0.00 57.07 55.48 3ilh s TYR 117 Cb -0.01 -0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.14 3ilh s TYR 117 CO -0.04 -0.52 0.18 0.14 -1.34 0.00 0.00 175.55 173.97 3ilh s VAL 118 N 2.42 0.31 0.66 3.14 -7.23 -0.41 -4.97 120.40 114.32 3ilh s VAL 118 Ca 0.05 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 3ilh s VAL 118 Cb -0.14 -2.47 0.15 0.00 0.56 0.00 0.00 36.38 34.48 3ilh s VAL 118 CO -0.11 0.00 0.89 -0.24 -0.31 0.00 0.00 175.10 175.33 3ilh n SER 119 N -1.15 0.02 -4.46 4.85 2.88 -1.26 -1.37 113.62 113.13 3ilh n SER 119 Ca 0.01 -1.31 -0.29 0.00 -1.33 0.00 0.00 58.87 55.94 3ilh n SER 119 Cb 0.64 -0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 63.30 3ilh n SER 119 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3ilh s LYS 120 N -4.95 1.72 0.90 -1.46 1.02 -1.24 -4.42 119.74 111.32 3ilh s LYS 120 Ca 0.51 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 3ilh s LYS 120 Cb -0.01 -2.07 0.14 0.00 -0.52 0.00 0.00 37.83 35.36 3ilh s LYS 120 CO 0.36 0.48 1.21 -1.25 -0.92 0.00 0.00 175.35 175.22 3ilh s PRO 121 N -2.07 1.24 0.20 -1.68 0.04 -1.26 -5.00 135.00 126.48 3ilh s PRO 121 Ca 0.17 -0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.93 3ilh s PRO 121 Cb -0.10 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.40 3ilh s PRO 121 CO 0.09 -2.07 0.45 1.28 0.04 0.00 0.00 177.00 176.79 3ilh n LEU 122 N -3.61 -1.30 -4.86 -3.56 4.77 -1.26 -5.05 117.00 102.13 3ilh n LEU 122 Ca 0.10 1.03 -0.23 0.00 -0.03 0.00 0.00 56.01 56.89 3ilh n LEU 122 Cb 0.60 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3ilh n LEU 122 CO 0.53 -2.89 -0.01 0.42 -1.33 0.00 0.00 177.39 174.11 3ilh s THR 123 N -0.99 2.30 0.22 -5.08 -4.23 -1.26 -5.00 115.64 101.61 3ilh s THR 123 Ca 0.60 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3ilh s THR 123 Cb -0.85 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3ilh s THR 123 CO 0.53 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 176.15 3ilh h ALA 124 N 1.01 0.80 -0.19 3.99 0.00 -1.96 -1.77 119.26 121.15 3ilh h ALA 124 Ca -0.40 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 3ilh h ALA 124 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ilh h ALA 124 CO 0.59 0.71 0.10 -0.97 0.00 0.00 0.00 179.25 179.68 3ilh h ASN 125 N 0.26 0.23 -0.64 0.00 -1.24 -1.99 -1.48 115.58 110.73 3ilh h ASN 125 Ca -0.00 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.87 3ilh h ASN 125 Cb 1.09 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.06 3ilh h ASN 125 CO 0.10 0.25 0.19 0.00 -1.29 0.00 0.00 177.43 176.68 3ilh h ALA 126 N 0.99 0.84 -0.04 1.57 0.00 -1.93 0.42 119.26 121.11 3ilh h ALA 126 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ilh h ALA 126 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ilh h ALA 126 CO -0.01 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.55 3ilh h LEU 127 N 0.92 0.05 -0.34 0.00 3.38 -1.11 -2.48 115.31 115.73 3ilh h LEU 127 Ca 0.20 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3ilh h LEU 127 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ilh h LEU 127 CO -0.01 0.20 -0.11 0.78 0.09 0.00 0.00 178.44 179.40 3ilh h ASN 128 N 0.06 0.69 -0.50 -0.43 4.21 0.17 0.87 115.58 120.64 3ilh h ASN 128 Ca 0.01 -0.38 -0.05 0.00 1.21 0.00 0.00 56.30 57.10 3ilh h ASN 128 Cb 0.28 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 3ilh h ASN 128 CO 0.02 0.91 0.16 0.78 -1.29 0.00 0.00 177.43 178.00 3ilh h ASN 129 N 0.46 0.77 -0.71 5.81 4.21 -1.43 0.10 115.58 124.80 3ilh h ASN 129 Ca 0.08 -0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 3ilh h ASN 129 Cb 0.62 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 3ilh h ASN 129 CO 0.04 0.74 0.27 -0.07 -1.29 0.00 0.00 177.43 177.12 3ilh h LEU 130 N 0.81 0.99 -0.22 1.61 3.38 -0.92 0.22 115.31 121.18 3ilh h LEU 130 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ilh h LEU 130 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3ilh h LEU 130 CO -0.01 0.90 0.07 1.88 0.09 0.00 0.00 178.44 181.38 3ilh h TYR 131 N 1.02 0.36 -0.10 1.13 0.05 -0.18 -1.77 116.97 117.48 3ilh h TYR 131 Ca 0.24 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.01 3ilh h TYR 131 Cb 0.23 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 3ilh h TYR 131 CO 0.02 0.42 0.09 -0.91 -1.05 0.00 0.00 178.16 176.74 3ilh h ASN 132 N 0.19 0.00 0.17 3.88 2.35 -0.33 -1.22 115.58 120.62 3ilh h ASN 132 Ca 0.07 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.55 3ilh h ASN 132 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.62 3ilh h ASN 132 CO -0.00 0.00 -1.12 0.50 -1.65 0.00 0.00 177.43 175.16 3ilh h LYS 133 N 0.00 0.58 0.00 0.81 1.63 -0.30 -1.94 116.57 117.35 3ilh h LYS 133 Ca 0.05 -0.70 -0.06 0.00 -0.85 0.00 0.00 60.65 59.09 3ilh h LYS 133 Cb 0.24 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3ilh h LYS 133 CO -0.00 1.29 -0.27 0.28 -3.45 0.00 0.00 179.45 177.30 3ilh h VAL 134 N 0.29 0.76 0.02 2.00 2.07 -0.37 -2.73 116.25 118.30 3ilh h VAL 134 Ca -0.14 -1.14 -0.28 0.00 0.82 0.00 0.00 66.70 65.96 3ilh h VAL 134 Cb 1.78 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 3ilh h VAL 134 CO 0.21 0.27 -1.56 -0.07 0.02 0.00 0.00 177.57 176.43 3ilh h LEU 135 N 0.00 0.07 -2.20 2.57 3.38 -1.32 -2.97 115.31 114.84 3ilh h LEU 135 Ca -0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ilh h LEU 135 Cb 0.69 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3ilh h LEU 135 CO 0.04 1.10 0.03 0.59 0.09 0.00 0.00 178.44 180.29 3ilh n ASN 136 N -3.18 3.09 0.00 -0.43 3.02 -0.73 -5.09 115.26 111.94 3ilh n ASN 136 Ca -0.14 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 3ilh n ASN 136 Cb 1.03 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3ilh n ASN 136 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02