#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 3.33 -0.22 6.15 1.43 -1.26 -0.87 118.68 127.24 1ily s LEU 23 Ca 0.00 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1ily s LEU 23 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1ily s LEU 23 CO 0.00 0.25 0.10 -0.60 0.23 0.00 0.00 176.35 176.33 1ily s ARG 24 N -0.12 3.97 0.13 1.70 3.52 0.18 -0.34 118.95 128.00 1ily s ARG 24 Ca 0.03 -0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.13 1ily s ARG 24 Cb -0.13 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 1ily s ARG 24 CO 0.02 0.11 0.57 -1.17 -0.81 0.00 0.00 175.30 174.03 1ily s LEU 25 N 0.86 4.39 -0.17 -0.88 0.20 0.40 -1.46 118.68 122.01 1ily s LEU 25 Ca 0.05 1.16 -0.04 0.00 0.69 0.00 0.00 54.13 55.99 1ily s LEU 25 Cb -0.13 -3.19 0.07 0.00 -0.43 0.00 0.00 46.19 42.51 1ily s LEU 25 CO 0.03 0.14 0.17 -0.44 -0.29 0.00 0.00 176.35 175.96 1ily s SER 26 N -1.54 1.54 0.16 3.68 0.01 -0.23 -2.99 113.70 114.32 1ily s SER 26 Ca 0.36 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1ily s SER 26 Cb -0.16 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1ily s SER 26 CO 0.19 -0.32 0.33 0.54 0.41 0.00 0.00 173.24 174.39 1ily s VAL 27 N 2.26 5.27 -0.21 3.43 0.11 -1.26 0.39 120.40 130.40 1ily s VAL 27 Ca 0.05 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1ily s VAL 27 Cb -0.15 -3.71 0.10 0.00 -1.53 0.00 0.00 36.38 31.09 1ily s VAL 27 CO -0.10 -0.08 0.35 0.12 -3.33 0.00 0.00 175.10 172.07 1ily s PHE 28 N -1.75 -0.69 -0.13 1.54 5.36 0.18 -4.84 117.98 117.64 1ily s PHE 28 Ca 0.37 1.01 -0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1ily s PHE 28 Cb -0.11 0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1ily s PHE 28 CO 0.28 -0.57 -0.07 0.50 -1.46 0.00 0.00 175.22 173.90 1ily s ARG 29 N 2.52 1.53 -0.06 10.12 3.52 -1.24 0.55 118.95 135.90 1ily s ARG 29 Ca 0.06 -0.32 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 1ily s ARG 29 Cb -0.14 -1.70 -0.24 0.00 -1.56 0.00 0.00 34.95 31.31 1ily s ARG 29 CO -0.13 -0.30 0.62 1.03 -0.81 0.00 0.00 175.30 175.70 1ily h SER 30 N 8.16 0.14 0.00 -2.12 0.87 -1.96 -3.48 113.55 115.15 1ily h SER 30 Ca -0.29 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1ily h SER 30 Cb 1.13 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ily h SER 30 CO 0.41 1.26 0.00 -0.11 -0.53 0.00 0.00 176.83 177.86 1ily n LEU 31 N -3.20 -0.07 -0.05 2.23 7.94 -1.26 -4.93 117.00 117.67 1ily n LEU 31 Ca -0.20 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1ily n LEU 31 Cb 1.05 0.47 0.01 0.00 0.53 0.00 0.00 43.42 45.48 1ily n LEU 31 CO 0.45 0.00 0.50 1.17 -1.11 0.00 0.00 177.39 178.40 1ily n LYS 32 N -2.76 2.85 -3.97 1.96 0.00 -1.26 -4.93 118.16 110.05 1ily n LYS 32 Ca 0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 58.31 56.50 1ily n LYS 32 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 35.03 33.86 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 -0.97 3.42 -0.31 5.64 0.09 -1.26 -4.52 115.29 117.40 1ily s HIS 33 Ca 0.02 -2.79 -0.13 0.00 -0.00 0.00 0.00 55.06 52.16 1ily s HIS 33 Cb 0.01 -2.72 -0.03 0.00 -0.00 0.00 0.00 32.58 29.83 1ily s HIS 33 CO 0.01 -0.94 0.25 -1.50 -0.00 0.00 0.00 174.74 172.56 1ily s ILE 34 N 1.02 5.27 -0.18 0.60 1.10 -1.25 -2.79 121.20 124.97 1ily s ILE 34 Ca 0.11 0.07 -0.01 0.00 -0.51 0.00 0.00 60.65 60.31 1ily s ILE 34 Cb -0.19 -3.64 0.05 0.00 0.15 0.00 0.00 42.46 38.83 1ily s ILE 34 CO -0.11 0.11 -0.01 -0.31 -2.11 0.00 0.00 174.94 172.52 1ily s TYR 35 N 1.81 1.41 -0.25 3.50 1.51 0.19 -2.29 117.35 123.24 1ily s TYR 35 Ca 0.08 -0.99 -0.09 0.00 -1.01 0.00 0.00 57.07 55.06 1ily s TYR 35 Cb -0.16 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1ily s TYR 35 CO 0.11 -0.61 0.12 0.00 -1.11 0.00 0.00 175.55 174.06 1ily s ALA 36 N 1.73 3.39 -0.28 3.71 0.00 -0.52 0.49 121.76 130.28 1ily s ALA 36 Ca -0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1ily s ALA 36 Cb -0.16 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1ily s ALA 36 CO -0.07 -0.34 -0.01 -1.14 0.00 0.00 0.00 175.76 174.20 1ily s GLN 37 N 1.35 2.73 -0.61 0.00 2.00 0.16 -2.03 119.66 123.27 1ily s GLN 37 Ca 0.06 -1.07 -0.19 0.00 -2.00 0.00 0.00 55.36 52.17 1ily s GLN 37 Cb -0.15 -3.14 0.11 0.00 0.80 0.00 0.00 33.01 30.63 1ily s GLN 37 CO 0.06 -0.50 0.71 0.42 -0.50 0.00 0.00 175.29 175.48 1ily s ILE 38 N 1.34 4.86 0.31 -2.34 -1.09 0.15 -1.07 121.20 123.35 1ily s ILE 38 Ca -0.01 -1.08 0.07 0.00 -2.23 0.00 0.00 60.65 57.39 1ily s ILE 38 Cb -0.18 -4.50 -0.02 0.00 -1.58 0.00 0.00 42.46 36.18 1ily s ILE 38 CO -0.02 -1.13 0.37 -0.63 -1.23 0.00 0.00 174.94 172.30 1ily s ILE 39 N 2.56 4.15 -0.40 2.92 1.09 -0.54 -1.80 121.20 129.18 1ily s ILE 39 Ca 0.12 -1.15 -0.18 0.00 -1.10 0.00 0.00 60.65 58.34 1ily s ILE 39 Cb -0.23 -3.42 0.01 0.00 -1.06 0.00 0.00 42.46 37.76 1ily s ILE 39 CO 0.05 -0.21 0.51 -0.62 -0.10 0.00 0.00 174.94 174.57 1ily s ASP 40 N -4.05 6.26 -0.13 3.58 -1.08 0.27 0.50 116.67 122.01 1ily s ASP 40 Ca 0.41 -0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.09 1ily s ASP 40 Cb -0.08 -2.26 0.31 0.00 -1.46 0.00 0.00 42.92 39.42 1ily s ASP 40 CO 0.29 -0.60 1.17 -0.90 0.52 0.00 0.00 175.17 175.65 1ily n ASP 41 N 5.81 3.10 -0.06 -0.34 5.68 -0.05 -2.51 116.55 128.18 1ily n ASP 41 Ca -0.05 -2.50 -0.11 0.00 -0.50 0.00 0.00 54.79 51.63 1ily n ASP 41 Cb 0.48 -0.60 -0.05 0.00 -1.14 0.00 0.00 41.12 39.81 1ily n ASP 41 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1ily n GLU 42 N 0.07 0.27 -3.82 0.11 0.28 -1.19 -4.82 120.64 111.54 1ily n GLU 42 Ca 0.17 0.09 -0.25 0.00 -0.16 0.00 0.00 57.16 57.01 1ily n GLU 42 Cb 0.79 -1.08 -0.17 0.00 1.43 0.00 0.00 31.44 32.41 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ily s LYS 43 N -2.23 1.00 -0.73 3.44 -0.14 -1.22 -5.04 119.74 114.82 1ily s LYS 43 Ca -0.16 -0.13 -0.13 0.00 -1.36 0.00 0.00 55.97 54.18 1ily s LYS 43 Cb 0.05 -1.41 -0.20 0.00 -1.68 0.00 0.00 37.83 34.59 1ily s LYS 43 CO 0.24 -0.34 1.94 0.41 -0.76 0.00 0.00 175.35 176.83 1ily n GLY 44 N 5.04 -0.30 2.74 -3.33 0.00 -1.21 -4.37 105.19 103.76 1ily n GLY 44 Ca -0.09 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 5.52 0.46 -0.16 1.61 1.01 -1.05 -4.94 120.40 122.85 1ily s VAL 45 Ca 0.86 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1ily s VAL 45 Cb -0.39 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1ily s VAL 45 CO 0.28 -0.10 1.22 -0.89 0.00 0.00 0.00 175.10 175.61 1ily s THR 46 N 1.90 4.34 -0.12 3.92 2.01 -1.26 0.96 115.64 127.39 1ily s THR 46 Ca 0.01 1.63 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 1ily s THR 46 Cb -0.16 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1ily s THR 46 CO -0.07 -0.12 -0.24 0.18 -0.69 0.00 0.00 174.62 173.68 1ily n LEU 47 N 6.34 1.41 -4.30 4.42 4.32 -0.74 -4.94 117.00 123.50 1ily n LEU 47 Ca 0.13 0.24 -0.28 0.00 -0.02 0.00 0.00 56.01 56.07 1ily n LEU 47 Cb 0.45 -0.64 -0.15 0.00 -1.62 0.00 0.00 43.42 41.46 1ily n LEU 47 CO 0.55 -0.36 -0.55 -0.69 -1.22 0.00 0.00 177.39 175.12 1ily s VAL 48 N -2.38 1.91 -0.20 4.08 1.01 -0.97 -5.01 120.40 118.83 1ily s VAL 48 Ca -0.20 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1ily s VAL 48 Cb 0.03 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.88 1ily s VAL 48 CO 0.29 0.34 0.36 -0.94 0.00 0.00 0.00 175.10 175.15 1ily s SER 49 N -1.09 0.20 0.05 3.32 1.04 -1.26 0.34 113.70 116.29 1ily s SER 49 Ca 0.10 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.09 1ily s SER 49 Cb -0.09 1.05 -0.02 0.00 0.10 0.00 0.00 66.02 67.06 1ily s SER 49 CO 0.01 -0.27 -0.18 0.00 0.98 0.00 0.00 173.24 173.78 1ily s ALA 50 N 2.53 1.56 -0.15 5.32 0.00 -0.86 -4.99 121.76 125.17 1ily s ALA 50 Ca 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1ily s ALA 50 Cb -0.14 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1ily s ALA 50 CO -0.13 0.33 0.37 -1.54 0.00 0.00 0.00 175.76 174.79 1ily s SER 51 N -1.20 -0.42 0.33 0.00 1.04 -1.26 -1.44 113.70 110.75 1ily s SER 51 Ca 0.05 0.77 0.08 0.00 0.48 0.00 0.00 55.95 57.33 1ily s SER 51 Cb -0.09 0.71 0.78 0.00 0.10 0.00 0.00 66.02 67.53 1ily s SER 51 CO 0.02 -0.16 1.82 -1.28 0.98 0.00 0.00 173.24 174.62 1ily h SER 52 N 6.36 0.72 0.21 7.02 0.87 -1.83 0.13 113.55 127.03 1ily h SER 52 Ca -0.32 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1ily h SER 52 Cb 1.18 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ily h SER 52 CO 0.30 0.31 -0.10 0.25 -0.53 0.00 0.00 176.83 177.06 1ily h LEU 53 N 0.73 -0.24 -1.96 2.23 7.12 -1.79 -0.88 115.31 120.52 1ily h LEU 53 Ca 0.52 -0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.49 1ily h LEU 53 Cb 0.83 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1ily h LEU 53 CO -0.28 -0.08 0.09 0.00 -0.13 0.00 0.00 178.44 178.03 1ily h ALA 54 N 0.37 2.06 -0.25 1.25 0.00 -1.58 0.41 119.26 121.53 1ily h ALA 54 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ily h ALA 54 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ily h ALA 54 CO 0.05 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1ily n LEU 55 N -4.51 1.68 -0.50 0.00 4.32 0.34 -4.92 117.00 113.42 1ily n LEU 55 Ca -0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 56.01 55.14 1ily n LEU 55 Cb 0.18 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1ily n LEU 55 CO 0.35 0.36 0.00 1.17 -1.22 0.00 0.00 177.39 178.05 1ily n LYS 56 N 0.26 -0.10 -1.97 3.23 4.81 0.15 -4.79 118.16 119.74 1ily n LYS 56 Ca 0.09 -0.05 -0.29 0.00 -0.87 0.00 0.00 58.31 57.19 1ily n LYS 56 Cb 0.30 0.09 0.16 0.00 0.02 0.00 0.00 35.03 35.60 1ily n LYS 56 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1ily s LEU 57 N -0.59 2.69 -0.70 3.14 2.34 -1.24 -4.98 118.68 119.34 1ily s LEU 57 Ca 0.00 0.34 -0.02 0.00 0.06 0.00 0.00 54.13 54.51 1ily s LEU 57 Cb 0.00 -2.50 0.40 0.00 -0.56 0.00 0.00 46.19 43.53 1ily s LEU 57 CO 0.00 -2.49 2.05 0.29 -1.06 0.00 0.00 176.35 175.14 1ily n LYS 58 N -3.61 2.66 0.00 1.48 4.76 -1.26 -4.92 118.16 117.28 1ily n LYS 58 Ca 0.14 -3.26 0.00 0.00 -2.87 0.00 0.00 58.31 52.31 1ily n LYS 58 Cb 0.60 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ily n GLY 59 N -0.71 2.18 1.27 0.72 0.00 -1.26 -5.12 105.19 102.26 1ily n GLY 59 Ca 0.59 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 5.15 -1.26 -5.09 115.26 115.67 1ily n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ily n ASN 60 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ily n LYS 61 N -2.45 0.00 0.00 1.20 5.02 -1.26 -4.95 118.16 115.72 1ily n LYS 61 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1ily n LYS 61 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.47 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ily n THR 62 N -0.61 0.00 -0.15 -0.18 -2.24 -1.26 -3.54 114.28 106.31 1ily n THR 62 Ca 0.00 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1ily n THR 62 Cb 0.00 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1ily n THR 62 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ily h GLU 63 N 1.14 0.63 0.00 -0.78 4.81 -1.93 -2.92 114.58 115.53 1ily h GLU 63 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1ily h GLU 63 Cb 0.46 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ily h GLU 63 CO 0.00 0.55 -0.99 0.28 -0.73 0.00 0.00 179.01 178.12 1ily n VAL 64 N -4.65 0.29 -0.20 0.32 0.31 -1.26 -4.40 118.33 108.75 1ily n VAL 64 Ca 0.01 -0.33 0.17 0.00 -0.01 0.00 0.00 64.34 64.17 1ily n VAL 64 Cb 0.12 0.01 0.31 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.93 0.55 0.33 3.52 0.00 -1.10 0.15 120.51 122.03 1ily n ALA 65 Ca 0.01 0.62 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 1ily n ALA 65 Cb 0.47 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.84 -0.47 0.00 2.43 -1.60 0.44 114.38 114.34 1ily h ARG 66 Ca 0.48 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.84 1ily h ARG 66 Cb 1.21 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 1ily h ARG 66 CO -0.49 -0.56 0.59 1.96 -1.51 0.00 0.00 179.97 179.97 1ily h GLN 67 N -1.13 0.00 0.04 0.20 4.20 0.12 1.75 115.11 120.29 1ily h GLN 67 Ca -0.09 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.40 1ily h GLN 67 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1ily h GLN 67 CO 0.15 0.00 -1.03 -0.24 -0.67 0.00 0.00 178.83 177.03 1ily h VAL 68 N 0.00 1.58 0.00 -0.54 3.04 0.64 -2.33 116.25 118.64 1ily h VAL 68 Ca 0.23 -3.06 -0.09 0.00 -1.01 0.00 0.00 66.70 62.76 1ily h VAL 68 Cb 1.41 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 33.43 1ily h VAL 68 CO -0.00 0.88 -0.43 1.23 -1.01 0.00 0.00 177.57 178.24 1ily h GLY 69 N 2.21 0.00 1.43 3.17 0.00 0.47 -1.76 103.07 108.60 1ily h GLY 69 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.98 1ily h GLY 69 CO 0.15 0.00 -1.25 0.07 0.00 0.00 0.00 176.54 175.52 1ily h ARG 70 N 0.00 0.45 -0.43 4.80 -0.00 -0.44 0.99 114.38 119.76 1ily h ARG 70 Ca -0.00 -0.66 -0.13 0.00 -0.00 0.00 0.00 59.98 59.18 1ily h ARG 70 Cb 1.16 0.23 -0.01 0.00 -0.00 0.00 0.00 29.97 31.35 1ily h ARG 70 CO 0.06 1.29 -0.25 0.00 -0.00 0.00 0.00 179.97 181.07 1ily h ALA 71 N 0.44 0.74 -0.07 0.08 0.00 -1.41 0.52 119.26 119.57 1ily h ALA 71 Ca -0.17 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1ily h ALA 71 Cb 1.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ily h ALA 71 CO 0.22 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 181.13 1ily h LEU 72 N 0.77 0.34 -2.17 0.00 6.46 -1.31 0.57 115.31 119.96 1ily h LEU 72 Ca 0.09 -0.63 -0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1ily h LEU 72 Cb 0.81 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1ily h LEU 72 CO 0.07 0.91 -0.07 0.00 -0.62 0.00 0.00 178.44 178.73 1ily h ALA 73 N 0.44 1.39 0.00 1.25 0.00 0.11 0.63 119.26 123.08 1ily h ALA 73 Ca -0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1ily h ALA 73 Cb 0.89 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ily h ALA 73 CO 0.05 0.08 -0.99 0.93 0.00 0.00 0.00 179.25 179.33 1ily h GLU 74 N 0.00 0.00 0.05 0.00 5.08 0.29 -1.68 114.58 118.32 1ily h GLU 74 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ily h GLU 74 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ily h GLU 74 CO 0.01 0.99 -0.02 0.87 -1.00 0.00 0.00 179.01 179.85 1ily h LYS 75 N 0.00 -0.06 -0.89 2.33 1.57 0.20 -2.35 116.57 117.37 1ily h LYS 75 Ca -0.01 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.01 1ily h LYS 75 Cb 1.75 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.92 1ily h LYS 75 CO 0.13 -0.04 0.19 0.00 -0.57 0.00 0.00 179.45 179.16 1ily h ALA 76 N -1.93 1.25 -0.97 3.86 0.00 -0.10 1.15 119.26 122.52 1ily h ALA 76 Ca -0.01 0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1ily h ALA 76 Cb 0.05 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1ily h ALA 76 CO 0.01 -0.50 0.61 -0.07 0.00 0.00 0.00 179.25 179.31 1ily h LEU 77 N 0.16 0.84 -2.08 0.00 3.38 -1.36 0.15 115.31 116.41 1ily h LEU 77 Ca 0.56 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.65 1ily h LEU 77 Cb 1.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ily h LEU 77 CO -0.70 0.44 0.34 0.00 0.09 0.00 0.00 178.44 178.62 1ily h ALA 78 N 1.56 1.85 0.00 1.53 0.00 0.19 0.95 119.26 125.34 1ily h ALA 78 Ca 0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 1ily h ALA 78 Cb 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ily h ALA 78 CO -0.24 -0.48 -1.39 -0.07 0.00 0.00 0.00 179.25 177.07 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.69 -3.48 115.31 114.52 1ily h LEU 79 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ily h LEU 79 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ily h LEU 79 CO -0.00 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.75 1ily n GLY 80 N 1.40 1.32 3.56 0.83 0.00 0.33 -5.06 105.19 107.58 1ily n GLY 80 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 3.64 -0.09 -0.61 1.09 -0.93 -4.76 121.20 117.54 1ily s ILE 81 Ca 0.00 0.47 0.16 0.00 -1.10 0.00 0.00 60.65 60.18 1ily s ILE 81 Cb 0.00 -4.39 -0.23 0.00 -1.06 0.00 0.00 42.46 36.78 1ily s ILE 81 CO 0.00 -1.24 0.22 2.29 -0.10 0.00 0.00 174.94 176.11 1ily n LYS 82 N 8.97 0.95 -4.74 2.79 0.00 -1.26 -4.01 118.16 120.86 1ily n LYS 82 Ca 0.13 -0.09 -0.25 0.00 -0.00 0.00 0.00 58.31 58.11 1ily n LYS 82 Cb 0.50 -1.40 -0.16 0.00 -0.00 0.00 0.00 35.03 33.97 1ily n LYS 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ily s GLN 83 N -2.80 1.53 0.14 -1.58 -0.44 -1.26 0.33 119.66 115.58 1ily s GLN 83 Ca -0.07 -0.55 0.01 0.00 -2.50 0.00 0.00 55.36 52.25 1ily s GLN 83 Cb 0.08 -1.37 -0.04 0.00 -1.64 0.00 0.00 33.01 30.04 1ily s GLN 83 CO 0.68 0.24 0.00 0.08 0.50 0.00 0.00 175.29 176.80 1ily s VAL 84 N -0.02 0.50 -0.57 1.34 1.01 0.17 -4.33 120.40 118.49 1ily s VAL 84 Ca -0.01 -1.94 -0.14 0.00 0.00 0.00 0.00 61.98 59.88 1ily s VAL 84 Cb -0.10 -2.00 0.14 0.00 0.00 0.00 0.00 36.38 34.42 1ily s VAL 84 CO 0.01 -0.56 0.51 0.00 0.00 0.00 0.00 175.10 175.05 1ily s ALA 85 N -3.77 3.66 -0.43 5.51 0.00 0.54 -3.86 121.76 123.40 1ily s ALA 85 Ca 0.21 -2.66 -0.28 0.00 0.00 0.00 0.00 51.96 49.23 1ily s ALA 85 Cb 0.06 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1ily s ALA 85 CO 0.01 -2.03 1.08 0.12 0.00 0.00 0.00 175.76 174.94 1ily s PHE 86 N 1.33 2.92 -0.42 0.00 5.36 -1.26 -0.46 117.98 125.45 1ily s PHE 86 Ca 0.06 0.78 0.09 0.00 -0.96 0.00 0.00 56.93 56.90 1ily s PHE 86 Cb -0.26 -4.17 0.32 0.00 -0.34 0.00 0.00 43.02 38.57 1ily s PHE 86 CO 0.01 -1.11 0.90 -0.25 -1.46 0.00 0.00 175.22 173.30 1ily n ASP 87 N 7.48 -0.85 -0.19 6.13 9.92 -1.16 -4.96 116.55 132.92 1ily n ASP 87 Ca 0.11 -3.32 0.30 0.00 -0.53 0.00 0.00 54.79 51.35 1ily n ASP 87 Cb 0.48 0.67 0.71 0.00 -0.64 0.00 0.00 41.12 42.34 1ily n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1ily h ARG 88 N 3.12 0.00 0.00 -1.24 -0.00 -1.89 -3.47 114.38 110.90 1ily h ARG 88 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1ily h ARG 88 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.00 1ily h ARG 88 CO 0.32 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.70 1ily n GLY 89 N -1.69 0.47 1.84 0.04 0.00 -1.26 -4.75 105.19 99.85 1ily n GLY 89 Ca 0.20 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 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 1.78 -3.82 1.61 -0.04 -1.26 -4.92 135.00 128.34 1ily n PRO 90 Ca 0.00 -1.57 -0.34 0.00 -0.04 0.00 0.00 63.50 61.54 1ily n PRO 90 Cb 0.00 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.81 3.57 0.10 0.54 1.51 -1.26 -5.11 117.35 114.88 1ily s TYR 91 Ca 0.31 0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.90 1ily s TYR 91 Cb 0.25 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1ily s TYR 91 CO 0.01 0.63 -0.11 0.21 -1.11 0.00 0.00 175.55 175.18 1ily s LYS 92 N -1.78 0.88 -0.82 -0.62 2.47 -1.26 -4.98 119.74 113.61 1ily s LYS 92 Ca 0.27 -1.16 -0.35 0.00 -1.56 0.00 0.00 55.97 53.16 1ily s LYS 92 Cb -0.13 -0.61 -0.21 0.00 -1.46 0.00 0.00 37.83 35.42 1ily s LYS 92 CO 0.16 0.10 2.49 0.98 0.16 0.00 0.00 175.35 179.24 1ily n TYR 93 N 0.58 0.76 0.00 4.03 9.36 -1.26 -4.79 117.16 125.84 1ily n TYR 93 Ca -0.16 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.57 1ily n TYR 93 Cb 0.57 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 1ily n TYR 93 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ily n HIS 94 N 9.40 0.00 0.00 2.98 -0.00 -1.26 -5.07 115.22 121.27 1ily n HIS 94 Ca 0.62 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1ily n HIS 94 Cb 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 1ily n HIS 94 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ily n GLY 95 N 5.00 0.28 0.00 1.57 0.00 -1.26 -4.89 105.19 105.89 1ily n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ily n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ily n ARG 96 N -0.59 0.00 -0.28 1.61 3.00 -1.26 -4.37 116.66 114.76 1ily n ARG 96 Ca 0.00 0.10 0.25 0.00 -0.01 0.00 0.00 57.85 58.19 1ily n ARG 96 Cb 0.00 -0.56 0.43 0.00 0.00 0.00 0.00 32.46 32.33 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ily n VAL 97 N -2.26 -0.19 0.00 1.55 0.31 -1.26 -0.75 118.33 115.73 1ily n VAL 97 Ca 0.00 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.54 1ily n VAL 97 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1ily n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ily n LYS 98 N -4.10 0.00 -0.31 5.55 0.00 -1.26 0.60 118.16 118.64 1ily n LYS 98 Ca 0.26 0.06 0.15 0.00 -0.00 0.00 0.00 58.31 58.78 1ily n LYS 98 Cb 0.98 -0.94 0.33 0.00 -0.00 0.00 0.00 35.03 35.40 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ily h ALA 99 N -2.00 1.48 -0.23 0.58 0.00 -1.53 0.22 119.26 117.78 1ily h ALA 99 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ily h ALA 99 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ily h ALA 99 CO 0.00 -0.44 -0.06 1.25 0.00 0.00 0.00 179.25 180.00 1ily h LEU 100 N 0.31 0.45 -1.27 0.00 6.46 -0.99 -2.21 115.31 118.05 1ily h LEU 100 Ca 0.59 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1ily h LEU 100 Cb 1.21 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1ily h LEU 100 CO -0.60 0.72 0.22 0.00 -0.62 0.00 0.00 178.44 178.15 1ily h ALA 101 N 0.75 1.43 -0.01 1.25 0.00 0.31 0.36 119.26 123.34 1ily h ALA 101 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ily h ALA 101 Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ily h ALA 101 CO 0.02 0.44 0.00 0.93 0.00 0.00 0.00 179.25 180.65 1ily h GLU 102 N 0.72 0.01 -0.59 0.00 5.08 -0.67 0.51 114.58 119.64 1ily h GLU 102 Ca 0.18 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1ily h GLU 102 Cb 0.12 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 1ily h GLU 102 CO -0.02 0.18 -0.42 0.78 -1.00 0.00 0.00 179.01 178.53 1ily h GLY 103 N -0.16 -0.41 0.65 -3.84 0.00 -0.93 5.50 103.07 103.88 1ily h GLY 103 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 47.33 47.93 1ily h GLY 103 CO -0.00 -0.17 0.17 0.00 0.00 0.00 0.00 176.54 176.54 1ily h ALA 104 N 0.68 0.52 0.05 3.60 0.00 0.53 0.86 119.26 125.50 1ily h ALA 104 Ca 0.19 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1ily h ALA 104 Cb 0.56 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ily h ALA 104 CO -0.69 -0.22 -0.37 0.00 0.00 0.00 0.00 179.25 177.97 1ily h ARG 105 N 0.35 0.16 -0.85 0.00 2.47 0.16 0.43 114.38 117.10 1ily h ARG 105 Ca 0.20 -0.24 0.17 0.00 -1.26 0.00 0.00 59.98 58.84 1ily h ARG 105 Cb 0.17 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 1ily h ARG 105 CO -0.19 1.07 0.56 1.05 0.56 0.00 0.00 179.97 183.02 1ily h GLU 106 N -0.63 0.48 -0.01 0.04 4.11 1.12 -1.44 114.58 118.26 1ily h GLU 106 Ca -0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1ily h GLU 106 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ily h GLU 106 CO 0.07 0.32 -0.07 0.78 0.07 0.00 0.00 179.01 180.18 1ily h GLY 107 N 0.50 0.07 0.00 1.06 0.00 0.72 -3.48 103.07 101.94 1ily h GLY 107 Ca 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ily h GLY 107 CO -0.17 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1ily n GLY 108 N 0.83 0.05 3.77 4.60 0.00 -0.54 -4.75 105.19 109.15 1ily n GLY 108 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 4.05 -0.36 0.99 1.02 0.14 -4.46 118.68 120.06 1ily s LEU 109 Ca 0.00 2.24 0.01 0.00 0.02 0.00 0.00 54.13 56.40 1ily s LEU 109 Cb 0.00 -4.22 0.11 0.00 0.02 0.00 0.00 46.19 42.10 1ily s LEU 109 CO 0.00 -0.80 0.13 -1.61 0.02 0.00 0.00 176.35 174.09 1ily s GLU 110 N -2.63 1.13 0.00 1.70 2.02 0.98 -3.66 118.70 118.23 1ily s GLU 110 Ca 0.62 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1ily s GLU 110 Cb -0.27 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1ily s GLU 110 CO 0.33 -1.02 0.18 1.97 0.02 0.00 0.00 175.26 176.74