#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ily s LEU 23 N 0.00 2.03 -0.21 2.89 1.02 -1.26 0.13 118.68 123.27 1ily s LEU 23 Ca 0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 1ily s LEU 23 Cb 0.00 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.86 1ily s LEU 23 CO 0.00 0.18 0.10 -0.60 0.02 0.00 0.00 176.35 176.04 1ily s ARG 24 N 0.18 3.97 0.20 1.70 3.52 0.15 0.48 118.95 129.14 1ily s ARG 24 Ca -0.12 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 1ily s ARG 24 Cb -0.16 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 1ily s ARG 24 CO 0.06 0.14 0.58 -1.17 -0.81 0.00 0.00 175.30 174.10 1ily s LEU 25 N 0.78 4.25 0.05 -0.88 0.20 0.52 -0.70 118.68 122.91 1ily s LEU 25 Ca 0.05 1.06 -0.00 0.00 0.69 0.00 0.00 54.13 55.93 1ily s LEU 25 Cb -0.13 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1ily s LEU 25 CO 0.02 0.01 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.61 1ily s SER 26 N -1.99 0.59 -0.10 3.68 0.01 0.16 -2.89 113.70 113.16 1ily s SER 26 Ca 0.43 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 1ily s SER 26 Cb -0.13 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1ily s SER 26 CO 0.20 -0.53 0.23 0.54 0.41 0.00 0.00 173.24 174.09 1ily s VAL 27 N -3.52 -0.13 -0.11 3.43 0.11 -1.26 0.54 120.40 119.47 1ily s VAL 27 Ca 0.05 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1ily s VAL 27 Cb 0.05 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1ily s VAL 27 CO -0.08 0.08 -0.10 0.12 -3.33 0.00 0.00 175.10 171.79 1ily s PHE 28 N 1.54 1.57 -0.09 1.54 5.36 0.18 -4.93 117.98 123.15 1ily s PHE 28 Ca -0.07 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1ily s PHE 28 Cb -0.11 -1.24 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1ily s PHE 28 CO -0.08 -0.48 -0.07 -0.98 -1.46 0.00 0.00 175.22 172.15 1ily s ARG 29 N 1.42 1.35 0.00 10.12 1.70 -1.26 0.70 118.95 132.97 1ily s ARG 29 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1ily s ARG 29 Cb -0.13 -1.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.88 1ily s ARG 29 CO -0.06 -0.18 0.00 0.43 -1.08 0.00 0.00 175.30 174.41 1ily n SER 30 N 4.59 0.00 -0.01 -2.89 7.64 -1.23 -4.95 113.62 116.77 1ily n SER 30 Ca -0.16 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.70 1ily n SER 30 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1ily n SER 30 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ily n LEU 31 N 0.00 0.79 -0.57 -3.43 0.00 -1.26 -4.80 117.00 107.73 1ily n LEU 31 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 56.01 56.19 1ily n LEU 31 Cb 0.00 -0.39 0.20 0.00 0.00 0.00 0.00 43.42 43.22 1ily n LEU 31 CO 0.00 -0.51 0.44 1.17 0.00 0.00 0.00 177.39 178.49 1ily n LYS 32 N -3.27 1.58 -4.49 1.96 0.00 -1.26 -5.03 118.16 107.66 1ily n LYS 32 Ca -0.04 -3.16 -0.25 0.00 0.00 0.00 0.00 58.31 54.87 1ily n LYS 32 Cb 0.13 -1.62 -0.10 0.00 0.00 0.00 0.00 35.03 33.44 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1ily s HIS 33 N -3.17 2.35 -0.14 5.64 3.76 -1.26 -4.96 115.29 117.50 1ily s HIS 33 Ca 0.38 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.83 1ily s HIS 33 Cb 0.36 -1.15 0.06 0.00 1.11 0.00 0.00 32.58 32.96 1ily s HIS 33 CO -0.04 0.66 0.34 -1.50 -0.85 0.00 0.00 174.74 173.35 1ily s ILE 34 N -2.54 -0.12 0.07 0.60 1.10 -1.26 -3.53 121.20 115.52 1ily s ILE 34 Ca 0.31 0.14 -0.05 0.00 -0.51 0.00 0.00 60.65 60.53 1ily s ILE 34 Cb -0.02 -0.52 -0.02 0.00 0.15 0.00 0.00 42.46 42.05 1ily s ILE 34 CO 0.16 0.06 0.10 -0.31 -2.11 0.00 0.00 174.94 172.83 1ily s TYR 35 N 1.55 0.32 -0.10 3.50 1.51 0.22 -3.26 117.35 121.08 1ily s TYR 35 Ca -0.08 -0.79 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 1ily s TYR 35 Cb -0.10 -0.20 0.05 0.00 -0.11 0.00 0.00 41.96 41.60 1ily s TYR 35 CO -0.11 -0.48 0.22 0.00 -1.11 0.00 0.00 175.55 174.08 1ily s ALA 36 N -3.89 -0.47 -0.27 3.71 0.00 -0.54 0.47 121.76 120.78 1ily s ALA 36 Ca 0.06 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1ily s ALA 36 Cb 0.06 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1ily s ALA 36 CO -0.10 -0.32 -0.04 -1.14 0.00 0.00 0.00 175.76 174.15 1ily s GLN 37 N 1.59 2.67 -0.80 0.00 0.74 0.19 -2.10 119.66 121.94 1ily s GLN 37 Ca -0.06 -1.09 -0.16 0.00 0.05 0.00 0.00 55.36 54.09 1ily s GLN 37 Cb -0.11 -3.04 0.17 0.00 1.10 0.00 0.00 33.01 31.13 1ily s GLN 37 CO -0.08 -0.48 0.84 0.42 -0.55 0.00 0.00 175.29 175.44 1ily s ILE 38 N 1.29 5.21 0.34 -2.34 -1.09 0.12 0.41 121.20 125.14 1ily s ILE 38 Ca -0.02 -1.92 0.03 0.00 -2.23 0.00 0.00 60.65 56.51 1ily s ILE 38 Cb -0.18 -4.55 -0.02 0.00 -1.58 0.00 0.00 42.46 36.13 1ily s ILE 38 CO -0.03 -1.17 0.51 -0.63 -1.23 0.00 0.00 174.94 172.39 1ily s ILE 39 N 1.38 4.72 -0.34 2.92 1.09 0.12 -1.78 121.20 129.31 1ily s ILE 39 Ca 0.20 -0.70 -0.17 0.00 -1.10 0.00 0.00 60.65 58.88 1ily s ILE 39 Cb -0.12 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1ily s ILE 39 CO -0.06 -0.38 0.47 -0.62 -0.10 0.00 0.00 174.94 174.25 1ily s ASP 40 N -4.09 6.29 -0.26 3.58 -1.08 0.25 0.31 116.67 121.67 1ily s ASP 40 Ca 0.41 -0.04 0.03 0.00 -0.52 0.00 0.00 52.55 52.43 1ily s ASP 40 Cb -0.09 -2.25 0.43 0.00 -1.46 0.00 0.00 42.92 39.54 1ily s ASP 40 CO 0.34 -0.43 1.53 -0.67 0.52 0.00 0.00 175.17 176.47 1ily n ASP 41 N 5.63 3.53 -0.07 -0.34 -0.08 0.34 -2.55 116.55 123.02 1ily n ASP 41 Ca -0.06 -2.94 -0.13 0.00 -1.51 0.00 0.00 54.79 50.15 1ily n ASP 41 Cb 0.49 -0.70 -0.05 0.00 2.34 0.00 0.00 41.12 43.20 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ily n GLU 42 N -0.40 0.29 -3.73 -0.67 2.13 -1.05 -4.28 120.64 112.93 1ily n GLU 42 Ca 0.35 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 58.05 1ily n GLU 42 Cb 1.18 -1.04 -0.18 0.00 0.27 0.00 0.00 31.44 31.68 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ily s LYS 43 N -2.24 0.41 -0.91 5.31 3.01 -1.25 -5.00 119.74 119.08 1ily s LYS 43 Ca -0.18 0.10 -0.09 0.00 -1.01 0.00 0.00 55.97 54.79 1ily s LYS 43 Cb 0.07 -1.04 -0.30 0.00 -1.01 0.00 0.00 37.83 35.54 1ily s LYS 43 CO 0.25 -0.37 2.08 0.41 0.51 0.00 0.00 175.35 178.22 1ily n GLY 44 N 5.18 -0.44 2.68 -3.33 0.00 -1.23 -4.54 105.19 103.52 1ily n GLY 44 Ca -0.06 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1ily n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ily s VAL 45 N 1.04 0.19 -0.18 1.61 1.01 -1.05 -4.96 120.40 118.06 1ily s VAL 45 Ca 1.19 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1ily s VAL 45 Cb -0.73 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ily s VAL 45 CO 0.49 -0.12 1.29 -0.89 0.00 0.00 0.00 175.10 175.87 1ily s THR 46 N 2.02 4.22 -0.11 3.92 2.01 -1.26 0.87 115.64 127.31 1ily s THR 46 Ca 0.02 1.46 -0.10 0.00 0.31 0.00 0.00 61.69 63.38 1ily s THR 46 Cb -0.15 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1ily s THR 46 CO -0.07 -0.18 -0.20 0.18 -0.69 0.00 0.00 174.62 173.65 1ily n LEU 47 N 6.80 1.22 -4.37 4.42 4.32 -0.74 -4.94 117.00 123.73 1ily n LEU 47 Ca 0.14 0.26 -0.29 0.00 -0.02 0.00 0.00 56.01 56.10 1ily n LEU 47 Cb 0.45 -0.67 -0.14 0.00 -1.62 0.00 0.00 43.42 41.44 1ily n LEU 47 CO 0.57 -0.38 -0.57 -0.69 -1.22 0.00 0.00 177.39 175.11 1ily s VAL 48 N -2.14 2.18 -0.15 4.08 1.01 -0.93 -5.00 120.40 119.45 1ily s VAL 48 Ca -0.17 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.14 1ily s VAL 48 Cb 0.02 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1ily s VAL 48 CO 0.25 0.21 0.37 -0.94 0.00 0.00 0.00 175.10 174.98 1ily s SER 49 N -1.69 -0.43 0.05 3.32 1.04 -1.26 0.16 113.70 114.89 1ily s SER 49 Ca 0.13 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.33 1ily s SER 49 Cb -0.10 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1ily s SER 49 CO 0.04 -0.19 0.03 0.00 0.98 0.00 0.00 173.24 174.10 1ily s ALA 50 N 1.43 0.24 -0.16 5.32 0.00 -0.89 -4.99 121.76 122.71 1ily s ALA 50 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1ily s ALA 50 Cb -0.09 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.37 1ily s ALA 50 CO -0.12 -0.35 0.37 -1.54 0.00 0.00 0.00 175.76 174.12 1ily s SER 51 N -2.55 -0.43 0.60 0.00 1.04 -1.26 -1.46 113.70 109.64 1ily s SER 51 Ca 0.01 0.81 0.29 0.00 0.48 0.00 0.00 55.95 57.54 1ily s SER 51 Cb 0.03 0.72 1.55 0.00 0.10 0.00 0.00 66.02 68.43 1ily s SER 51 CO -0.08 -0.19 1.96 0.28 0.98 0.00 0.00 173.24 176.19 1ily h SER 52 N 7.23 0.00 0.14 7.02 0.02 -1.92 -1.31 113.55 124.73 1ily h SER 52 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1ily h SER 52 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ily h SER 52 CO 0.30 0.00 -0.07 0.25 -1.14 0.00 0.00 176.83 176.17 1ily h LEU 53 N 0.00 -0.16 -2.15 5.07 7.12 -1.93 -2.40 115.31 120.84 1ily h LEU 53 Ca 0.15 -0.38 0.01 0.00 0.13 0.00 0.00 57.88 57.79 1ily h LEU 53 Cb 0.90 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1ily h LEU 53 CO -0.00 0.35 0.02 0.00 -0.13 0.00 0.00 178.44 178.68 1ily h ALA 54 N -0.08 1.86 -0.42 1.25 0.00 -1.63 0.21 119.26 120.45 1ily h ALA 54 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 54 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ily h ALA 54 CO 0.03 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1ily n LEU 55 N -4.30 2.36 -0.27 0.00 4.32 -0.69 -4.94 117.00 113.48 1ily n LEU 55 Ca -0.03 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 1ily n LEU 55 Cb 0.11 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1ily n LEU 55 CO 0.32 0.56 0.00 1.17 -1.22 0.00 0.00 177.39 178.21 1ily n LYS 56 N 0.71 -0.06 -1.86 3.23 3.00 0.74 -4.80 118.16 119.12 1ily n LYS 56 Ca 0.14 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 58.13 1ily n LYS 56 Cb 0.39 0.05 0.17 0.00 0.00 0.00 0.00 35.03 35.64 1ily n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ily s LEU 57 N -0.33 2.53 -1.21 3.14 1.43 -1.25 -4.97 118.68 118.02 1ily s LEU 57 Ca 0.00 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1ily s LEU 57 Cb 0.00 -2.55 0.22 0.00 0.03 0.00 0.00 46.19 43.89 1ily s LEU 57 CO 0.00 -2.63 1.76 0.29 0.23 0.00 0.00 176.35 175.99 1ily n LYS 58 N -3.73 3.94 0.00 1.70 5.02 -1.26 -4.85 118.16 118.98 1ily n LYS 58 Ca 0.13 -3.88 0.00 0.00 -2.02 0.00 0.00 58.31 52.55 1ily n LYS 58 Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ily n GLY 59 N 2.25 4.43 0.00 0.72 0.00 -1.26 -5.07 105.19 106.26 1ily n GLY 59 Ca 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ily n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ily n ASN 60 N 0.00 0.00 0.00 1.61 4.05 -1.26 -4.95 115.26 114.71 1ily n ASN 60 Ca 0.00 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1ily n ASN 60 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ily n LYS 61 N 0.00 0.00 0.17 1.20 4.01 -1.26 -2.50 118.16 119.78 1ily n LYS 61 Ca 0.00 0.12 0.05 0.00 -0.51 0.00 0.00 58.31 57.97 1ily n LYS 61 Cb 0.00 -1.10 0.21 0.00 -0.51 0.00 0.00 35.03 33.63 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1ily h THR 62 N 0.00 0.81 -0.97 -0.18 1.35 -1.97 -2.60 112.91 109.34 1ily h THR 62 Ca 0.00 -1.78 0.09 0.00 -0.55 0.00 0.00 66.41 64.18 1ily h THR 62 Cb 0.00 2.13 -0.08 0.00 -1.73 0.00 0.00 68.15 68.48 1ily h THR 62 CO 0.00 0.40 0.61 -0.33 -0.25 0.00 0.00 175.52 175.95 1ily h GLU 63 N 0.00 1.01 0.00 4.72 5.08 -1.96 -2.46 114.58 120.96 1ily h GLU 63 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ily h GLU 63 Cb 1.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ily h GLU 63 CO 0.05 0.67 -1.59 0.28 -1.00 0.00 0.00 179.01 177.43 1ily n VAL 64 N -4.59 0.73 -0.20 3.13 0.31 -1.04 -4.41 118.33 112.26 1ily n VAL 64 Ca 0.17 -0.62 0.17 0.00 -0.01 0.00 0.00 64.34 64.04 1ily n VAL 64 Cb 0.27 -0.39 0.32 0.00 -0.91 0.00 0.00 33.84 33.12 1ily n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ily n ALA 65 N -2.34 0.55 0.33 3.52 0.00 -0.93 0.15 120.51 121.80 1ily n ALA 65 Ca -0.08 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 1ily n ALA 65 Cb 0.73 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1ily n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ily h ARG 66 N 0.00 -0.85 -0.73 0.00 2.43 -1.59 -0.03 114.38 113.61 1ily h ARG 66 Ca 0.49 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.93 1ily h ARG 66 Cb 1.23 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 1ily h ARG 66 CO -0.50 -0.57 0.75 1.96 -1.51 0.00 0.00 179.97 180.11 1ily h GLN 67 N -1.16 0.00 0.05 0.20 4.20 0.12 2.09 115.11 120.61 1ily h GLN 67 Ca -0.09 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1ily h GLN 67 CO 0.15 0.00 -1.04 -0.24 -0.67 0.00 0.00 178.83 177.03 1ily h VAL 68 N 0.00 1.46 0.01 -0.54 3.04 0.62 -2.14 116.25 118.69 1ily h VAL 68 Ca 0.35 -2.72 -0.19 0.00 -1.01 0.00 0.00 66.70 63.13 1ily h VAL 68 Cb 1.85 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 33.74 1ily h VAL 68 CO -0.00 0.80 -0.86 1.23 -1.01 0.00 0.00 177.57 177.72 1ily h GLY 69 N 1.49 0.10 1.56 3.17 0.00 0.50 0.22 103.07 110.11 1ily h GLY 69 Ca -0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1ily h GLY 69 CO 0.17 0.17 -0.29 0.07 0.00 0.00 0.00 176.54 176.66 1ily h ARG 70 N 0.05 0.51 -0.18 4.80 -0.00 0.30 0.91 114.38 120.76 1ily h ARG 70 Ca -0.03 -0.21 -0.18 0.00 -0.00 0.00 0.00 59.98 59.57 1ily h ARG 70 Cb 1.50 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 31.46 1ily h ARG 70 CO 0.12 0.75 -0.58 0.00 -0.00 0.00 0.00 179.97 180.26 1ily h ALA 71 N 1.25 0.32 -0.28 0.08 0.00 -1.24 0.45 119.26 119.83 1ily h ALA 71 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1ily h ALA 71 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ily h ALA 71 CO 0.06 0.55 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 1ily h LEU 72 N 0.42 0.41 -1.33 0.00 3.38 -0.56 -1.35 115.31 116.27 1ily h LEU 72 Ca -0.02 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1ily h LEU 72 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1ily h LEU 72 CO 0.12 0.48 -0.30 0.00 0.09 0.00 0.00 178.44 178.84 1ily h ALA 73 N 0.94 1.23 -0.39 1.53 0.00 0.79 0.44 119.26 123.79 1ily h ALA 73 Ca 0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1ily h ALA 73 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ily h ALA 73 CO -0.01 0.37 -0.20 1.49 0.00 0.00 0.00 179.25 180.91 1ily h GLU 74 N 0.00 0.74 0.00 0.00 4.81 0.57 -1.02 114.58 119.69 1ily h GLU 74 Ca -0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1ily h GLU 74 Cb 0.65 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1ily h GLU 74 CO 0.04 0.89 -0.04 0.87 -0.73 0.00 0.00 179.01 180.04 1ily h LYS 75 N 0.66 0.00 -0.99 1.92 1.57 -0.68 -3.15 116.57 115.90 1ily h LYS 75 Ca 0.10 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.22 1ily h LYS 75 Cb 0.69 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.83 1ily h LYS 75 CO 0.05 0.00 0.36 0.00 -0.57 0.00 0.00 179.45 179.30 1ily h ALA 76 N -1.40 1.77 -0.91 3.86 0.00 -0.24 1.68 119.26 124.02 1ily h ALA 76 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ily h ALA 76 Cb 0.04 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ily h ALA 76 CO 0.00 -0.75 0.53 -0.07 0.00 0.00 0.00 179.25 178.96 1ily h LEU 77 N 0.06 1.11 -1.95 0.00 3.38 -1.31 -1.59 115.31 115.01 1ily h LEU 77 Ca 0.73 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1ily h LEU 77 CO -0.78 0.86 0.40 0.00 0.09 0.00 0.00 178.44 179.00 1ily h ALA 78 N 1.29 1.69 0.00 1.53 0.00 0.26 1.30 119.26 125.33 1ily h ALA 78 Ca 0.32 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 1ily h ALA 78 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ily h ALA 78 CO -0.06 -0.49 -1.43 -0.07 0.00 0.00 0.00 179.25 177.21 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.21 -3.48 115.31 114.00 1ily h LEU 79 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ily h LEU 79 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ily h LEU 79 CO -0.00 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1ily n GLY 80 N 1.43 1.36 3.57 0.83 0.00 0.45 -5.05 105.19 107.77 1ily n GLY 80 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1ily n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ily s ILE 81 N -2.00 3.49 -0.23 -0.61 1.09 -0.89 -4.79 121.20 117.25 1ily s ILE 81 Ca 0.00 0.39 -0.12 0.00 -1.10 0.00 0.00 60.65 59.82 1ily s ILE 81 Cb 0.00 -3.98 -0.17 0.00 -1.06 0.00 0.00 42.46 37.26 1ily s ILE 81 CO 0.00 -0.83 -0.07 1.17 -0.10 0.00 0.00 174.94 175.11 1ily n LYS 82 N 8.85 0.62 -5.14 2.79 4.81 -1.26 -4.12 118.16 124.71 1ily n LYS 82 Ca 0.19 0.33 -0.29 0.00 -0.87 0.00 0.00 58.31 57.67 1ily n LYS 82 Cb 0.50 -1.60 -0.16 0.00 0.02 0.00 0.00 35.03 33.79 1ily n LYS 82 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ily s GLN 83 N -2.48 1.90 0.29 1.64 -0.21 -1.26 0.17 119.66 119.71 1ily s GLN 83 Ca -0.33 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 54.21 1ily s GLN 83 Cb 0.10 -1.87 -0.06 0.00 1.00 0.00 0.00 33.01 32.18 1ily s GLN 83 CO 0.58 0.51 0.01 0.08 -2.12 0.00 0.00 175.29 174.35 1ily s VAL 84 N -0.59 1.31 -0.44 1.09 1.01 0.10 -4.37 120.40 118.51 1ily s VAL 84 Ca 0.09 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 59.91 1ily s VAL 84 Cb -0.09 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.77 1ily s VAL 84 CO -0.01 -0.16 0.32 0.00 0.00 0.00 0.00 175.10 175.25 1ily s ALA 85 N -3.23 3.41 -0.57 5.51 0.00 0.18 -4.22 121.76 122.83 1ily s ALA 85 Ca 0.33 -2.12 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 1ily s ALA 85 Cb 0.07 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1ily s ALA 85 CO 0.13 -1.68 1.17 0.12 0.00 0.00 0.00 175.76 175.50 1ily s PHE 86 N 1.52 2.63 -0.23 0.00 5.36 -1.26 -0.35 117.98 125.65 1ily s PHE 86 Ca 0.03 0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 56.35 1ily s PHE 86 Cb -0.23 -4.47 0.08 0.00 -0.34 0.00 0.00 43.02 38.06 1ily s PHE 86 CO 0.04 -1.55 0.09 -0.51 -1.46 0.00 0.00 175.22 171.83 1ily s ASP 87 N 2.93 3.11 -0.19 6.13 1.01 -1.14 -5.00 116.67 123.51 1ily s ASP 87 Ca 0.42 -1.03 -0.18 0.00 0.71 0.00 0.00 52.55 52.47 1ily s ASP 87 Cb -0.08 -0.46 -0.20 0.00 1.01 0.00 0.00 42.92 43.19 1ily s ASP 87 CO 0.25 -0.38 0.22 -2.11 0.21 0.00 0.00 175.17 173.36 1ily n ARG 88 N 5.15 0.60 0.00 8.23 0.00 -1.26 -4.55 116.66 124.83 1ily n ARG 88 Ca -0.06 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1ily n ARG 88 Cb 0.45 -1.73 0.00 0.00 -0.00 0.00 0.00 32.46 31.18 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ily n GLY 89 N 1.54 1.03 1.50 2.89 0.00 -1.26 -4.65 105.19 106.23 1ily n GLY 89 Ca -0.33 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 1ily n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ily n PRO 90 N 0.00 2.07 -3.70 1.61 -0.04 -1.26 -4.92 135.00 128.76 1ily n PRO 90 Ca 0.00 -1.56 -0.20 0.00 -0.04 0.00 0.00 63.50 61.70 1ily n PRO 90 Cb 0.00 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ily s TYR 91 N -1.75 3.29 0.05 0.54 1.51 -1.26 -5.13 117.35 114.60 1ily s TYR 91 Ca 0.29 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.29 1ily s TYR 91 Cb 0.23 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1ily s TYR 91 CO 0.06 0.20 -0.12 0.21 -1.11 0.00 0.00 175.55 174.79 1ily s LYS 92 N -4.09 0.76 -0.72 -0.62 2.47 -1.26 -5.02 119.74 111.25 1ily s LYS 92 Ca 0.40 -0.80 -0.34 0.00 -1.56 0.00 0.00 55.97 53.67 1ily s LYS 92 Cb -0.09 -0.72 -0.18 0.00 -1.46 0.00 0.00 37.83 35.38 1ily s LYS 92 CO 0.30 0.16 2.47 0.98 0.16 0.00 0.00 175.35 179.43 1ily n TYR 93 N 1.61 0.97 -4.54 4.03 9.36 -1.26 -4.88 117.16 122.46 1ily n TYR 93 Ca -0.20 0.41 -0.25 0.00 3.32 0.00 0.00 57.90 61.17 1ily n TYR 93 Cb 0.55 -2.42 -0.10 0.00 -0.63 0.00 0.00 39.34 36.74 1ily n TYR 93 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ily s HIS 94 N 8.63 2.00 0.29 2.98 2.46 -1.26 -5.04 115.29 125.35 1ily s HIS 94 Ca 1.23 -0.99 0.04 0.00 0.47 0.00 0.00 55.06 55.81 1ily s HIS 94 Cb -1.09 -1.38 0.72 0.00 -0.13 0.00 0.00 32.58 30.71 1ily s HIS 94 CO 0.49 0.04 1.70 0.78 -2.47 0.00 0.00 174.74 175.28 1ily h GLY 95 N 1.88 1.55 0.00 1.59 0.00 -2.00 -2.46 103.07 103.62 1ily h GLY 95 Ca -0.40 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1ily h GLY 95 CO 0.69 -0.25 0.00 0.54 0.00 0.00 0.00 176.54 177.52 1ily n ARG 96 N -5.02 0.00 -0.32 4.80 5.12 -1.26 -2.09 116.66 117.88 1ily n ARG 96 Ca 0.22 0.54 0.23 0.00 -1.93 0.00 0.00 57.85 56.91 1ily n ARG 96 Cb 0.64 -1.45 0.44 0.00 -1.16 0.00 0.00 32.46 30.93 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ily n VAL 97 N -2.02 -0.41 0.00 1.55 0.31 -1.09 0.12 118.33 116.78 1ily n VAL 97 Ca 0.00 2.05 0.00 0.00 -0.01 0.00 0.00 64.34 66.38 1ily n VAL 97 Cb 0.00 -3.17 0.00 0.00 -0.91 0.00 0.00 33.84 29.76 1ily n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ily n LYS 98 N -5.32 0.00 -0.21 5.55 5.02 -0.95 0.71 118.16 122.96 1ily n LYS 98 Ca 0.30 0.24 0.06 0.00 -2.02 0.00 0.00 58.31 56.90 1ily n LYS 98 Cb 1.02 -1.19 0.33 0.00 -0.02 0.00 0.00 35.03 35.16 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ily h ALA 99 N -1.96 1.67 -0.04 7.82 0.00 -0.83 -1.88 119.26 124.03 1ily h ALA 99 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ily h ALA 99 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ily h ALA 99 CO 0.00 0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.69 1ily h LEU 100 N 0.81 0.09 -1.70 0.00 6.46 0.86 -2.30 115.31 119.53 1ily h LEU 100 Ca 0.34 -0.41 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1ily h LEU 100 Cb 0.27 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1ily h LEU 100 CO -0.12 0.49 0.27 0.00 -0.62 0.00 0.00 178.44 178.45 1ily h ALA 101 N 0.61 1.89 -0.10 1.25 0.00 0.67 -0.38 119.26 123.21 1ily h ALA 101 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ily h ALA 101 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ily h ALA 101 CO 0.01 0.05 -0.06 0.93 0.00 0.00 0.00 179.25 180.18 1ily h GLU 102 N 0.38 0.21 -0.35 0.00 5.08 -1.26 0.30 114.58 118.94 1ily h GLU 102 Ca 0.17 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1ily h GLU 102 Cb 0.18 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 1ily h GLU 102 CO -0.04 0.59 -0.49 0.78 -1.00 0.00 0.00 179.01 178.85 1ily h GLY 103 N -0.16 -0.79 0.84 -3.84 0.00 -0.71 6.80 103.07 105.21 1ily h GLY 103 Ca 0.02 0.62 0.04 0.00 0.00 0.00 0.00 47.33 48.01 1ily h GLY 103 CO 0.02 -0.17 0.49 0.00 0.00 0.00 0.00 176.54 176.88 1ily h ALA 104 N 0.15 1.02 0.01 3.60 0.00 0.56 0.92 119.26 125.51 1ily h ALA 104 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ily h ALA 104 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ily h ALA 104 CO -0.55 0.27 -0.00 -0.09 0.00 0.00 0.00 179.25 178.88 1ily h ARG 105 N 0.94 -0.01 -0.95 0.00 9.65 0.97 0.43 114.38 125.40 1ily h ARG 105 Ca 0.31 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.43 1ily h ARG 105 Cb 0.04 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.50 1ily h ARG 105 CO -0.12 0.60 0.50 1.05 2.80 0.00 0.00 179.97 184.80 1ily h GLU 106 N -0.99 0.49 -0.03 0.20 4.11 1.42 0.14 114.58 119.92 1ily h GLU 106 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ily h GLU 106 Cb 0.62 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ily h GLU 106 CO 0.00 0.32 0.00 0.78 0.07 0.00 0.00 179.01 180.19 1ily h GLY 107 N 0.50 0.05 0.00 1.06 0.00 0.82 -3.47 103.07 102.03 1ily h GLY 107 Ca 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1ily h GLY 107 CO -0.50 0.03 0.00 0.61 0.00 0.00 0.00 176.54 176.68 1ily n GLY 108 N -0.40 0.03 3.78 4.60 0.00 0.04 -4.83 105.19 108.40 1ily n GLY 108 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1ily n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ily s LEU 109 N 0.00 3.95 -0.42 0.99 1.02 0.15 -4.58 118.68 119.78 1ily s LEU 109 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 54.13 56.34 1ily s LEU 109 Cb 0.00 -4.36 0.13 0.00 0.02 0.00 0.00 46.19 41.98 1ily s LEU 109 CO 0.00 -0.89 0.21 -1.61 0.02 0.00 0.00 176.35 174.08 1ily s GLU 110 N -2.88 1.30 0.00 1.70 8.01 0.44 -3.48 118.70 123.79 1ily s GLU 110 Ca 0.65 -1.94 0.00 0.00 0.01 0.00 0.00 54.97 53.70 1ily s GLU 110 Cb -0.24 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 1ily s GLU 110 CO 0.29 -1.12 0.47 1.97 0.01 0.00 0.00 175.26 176.89