#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ily n LEU 23 N 0.00 0.87 -4.68 6.15 4.32 -1.26 -4.04 117.00 118.36 1ily n LEU 23 Ca 0.00 1.14 -0.38 0.00 -0.02 0.00 0.00 56.01 56.75 1ily n LEU 23 Cb 0.00 -1.03 -0.07 0.00 -1.62 0.00 0.00 43.42 40.70 1ily n LEU 23 CO 0.00 -1.39 0.07 -0.60 -1.22 0.00 0.00 177.39 174.26 1ily s ARG 24 N 0.75 4.19 0.13 3.23 3.52 0.14 -0.07 118.95 130.84 1ily s ARG 24 Ca 0.91 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 56.52 1ily s ARG 24 Cb -1.17 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 28.64 1ily s ARG 24 CO 0.57 0.02 0.58 -1.17 -0.81 0.00 0.00 175.30 174.49 1ily s LEU 25 N 1.12 4.41 -0.21 -0.88 0.20 0.12 -0.78 118.68 122.66 1ily s LEU 25 Ca 0.19 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 56.16 1ily s LEU 25 Cb -0.14 -3.16 0.10 0.00 -0.43 0.00 0.00 46.19 42.55 1ily s LEU 25 CO 0.07 0.16 0.22 -0.44 -0.29 0.00 0.00 176.35 176.08 1ily s SER 26 N -1.47 1.49 -0.20 3.68 0.01 0.53 -2.90 113.70 114.84 1ily s SER 26 Ca 0.35 -0.31 -0.13 0.00 1.31 0.00 0.00 55.95 57.16 1ily s SER 26 Cb -0.17 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 1ily s SER 26 CO 0.19 -0.34 0.27 0.54 0.41 0.00 0.00 173.24 174.32 1ily s VAL 27 N 2.32 5.30 0.03 3.43 0.11 -1.26 0.60 120.40 130.92 1ily s VAL 27 Ca 0.07 0.46 0.04 0.00 -2.93 0.00 0.00 61.98 59.62 1ily s VAL 27 Cb -0.16 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1ily s VAL 27 CO -0.15 0.33 -0.05 0.12 -3.33 0.00 0.00 175.10 172.02 1ily s PHE 28 N 0.92 2.91 -0.17 1.54 5.36 0.19 -4.84 117.98 123.89 1ily s PHE 28 Ca 0.14 -0.04 -0.06 0.00 -0.96 0.00 0.00 56.93 56.01 1ily s PHE 28 Cb -0.14 -1.59 0.08 0.00 -0.34 0.00 0.00 43.02 41.04 1ily s PHE 28 CO 0.05 0.40 0.36 1.03 -1.46 0.00 0.00 175.22 175.60 1ily s ARG 29 N -1.65 0.26 0.00 10.12 0.52 -1.26 -0.29 118.95 126.65 1ily s ARG 29 Ca 0.19 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1ily s ARG 29 Cb -0.11 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.53 1ily s ARG 29 CO 0.10 -0.26 0.00 0.43 0.02 0.00 0.00 175.30 175.59 1ily n SER 30 N 5.30 0.00 0.09 0.23 7.64 -1.26 -5.01 113.62 120.62 1ily n SER 30 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1ily n SER 30 Cb 0.50 0.00 0.00 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 -0.88 -0.11 -0.14 -3.43 7.94 -1.26 -4.89 117.00 114.23 1ily n LEU 31 Ca 0.00 0.31 0.09 0.00 -1.11 0.00 0.00 56.01 55.30 1ily n LEU 31 Cb 0.00 0.26 0.13 0.00 0.53 0.00 0.00 43.42 44.34 1ily n LEU 31 CO 0.00 -0.68 0.57 0.29 -1.11 0.00 0.00 177.39 176.46 1ily n LYS 32 N -3.11 1.64 -4.42 1.96 5.02 -1.26 -5.03 118.16 112.95 1ily n LYS 32 Ca 0.00 -2.47 -0.26 0.00 -2.02 0.00 0.00 58.31 53.56 1ily n LYS 32 Cb 0.00 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ily s HIS 33 N -2.64 2.53 -0.19 2.13 3.76 -1.26 -4.97 115.29 114.65 1ily s HIS 33 Ca 0.29 -0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 1ily s HIS 33 Cb 0.25 -1.67 0.06 0.00 1.11 0.00 0.00 32.58 32.33 1ily s HIS 33 CO 0.03 0.42 0.47 -1.50 -0.85 0.00 0.00 174.74 173.32 1ily s ILE 34 N -2.61 -0.02 0.01 0.60 1.10 -1.26 -4.00 121.20 115.02 1ily s ILE 34 Ca 0.36 0.07 -0.15 0.00 -0.51 0.00 0.00 60.65 60.42 1ily s ILE 34 Cb 0.05 -0.69 0.02 0.00 0.15 0.00 0.00 42.46 41.99 1ily s ILE 34 CO 0.19 0.03 0.32 -0.31 -2.11 0.00 0.00 174.94 173.05 1ily s TYR 35 N 1.34 -0.16 -0.06 3.50 1.51 0.60 -3.52 117.35 120.55 1ily s TYR 35 Ca -0.09 0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1ily s TYR 35 Cb -0.07 0.10 0.03 0.00 -0.11 0.00 0.00 41.96 41.91 1ily s TYR 35 CO -0.13 -0.45 0.02 0.00 -1.11 0.00 0.00 175.55 173.88 1ily s ALA 36 N -1.87 0.55 -0.28 3.71 0.00 -0.47 0.54 121.76 123.93 1ily s ALA 36 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1ily s ALA 36 Cb -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1ily s ALA 36 CO 0.01 -0.43 0.01 -1.14 0.00 0.00 0.00 175.76 174.21 1ily s GLN 37 N 1.93 2.77 -0.62 0.00 2.00 0.20 -2.01 119.66 123.93 1ily s GLN 37 Ca 0.04 -1.04 -0.18 0.00 -2.00 0.00 0.00 55.36 52.17 1ily s GLN 37 Cb -0.12 -3.18 0.12 0.00 0.80 0.00 0.00 33.01 30.62 1ily s GLN 37 CO -0.04 -0.49 0.70 0.42 -0.50 0.00 0.00 175.29 175.37 1ily s ILE 38 N 1.36 4.93 0.28 -2.34 -1.09 0.12 -0.35 121.20 124.12 1ily s ILE 38 Ca -0.01 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.25 1ily s ILE 38 Cb -0.18 -4.48 -0.03 0.00 -1.58 0.00 0.00 42.46 36.20 1ily s ILE 38 CO -0.01 -1.10 0.42 -0.63 -1.23 0.00 0.00 174.94 172.39 1ily s ILE 39 N 2.34 5.01 -0.34 2.92 1.09 0.04 -1.44 121.20 130.82 1ily s ILE 39 Ca 0.11 -0.88 -0.18 0.00 -1.10 0.00 0.00 60.65 58.60 1ily s ILE 39 Cb -0.23 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.38 1ily s ILE 39 CO 0.04 -0.34 0.53 -0.62 -0.10 0.00 0.00 174.94 174.45 1ily s ASP 40 N -4.03 6.35 -0.20 3.58 -1.08 0.26 0.29 116.67 121.84 1ily s ASP 40 Ca 0.37 0.08 0.04 0.00 -0.52 0.00 0.00 52.55 52.52 1ily s ASP 40 Cb -0.09 -2.28 0.39 0.00 -1.46 0.00 0.00 42.92 39.48 1ily s ASP 40 CO 0.31 -0.47 1.37 -0.67 0.52 0.00 0.00 175.17 176.23 1ily n ASP 41 N 5.76 3.47 -0.08 -0.34 2.03 -1.26 -2.53 116.55 123.59 1ily n ASP 41 Ca -0.04 -2.73 -0.16 0.00 0.52 0.00 0.00 54.79 52.38 1ily n ASP 41 Cb 0.49 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ily n GLU 42 N -0.11 0.35 -3.74 -0.67 2.13 -1.26 -4.90 120.64 112.44 1ily n GLU 42 Ca 0.26 0.14 -0.23 0.00 0.66 0.00 0.00 57.16 57.98 1ily n GLU 42 Cb 0.99 -1.12 -0.17 0.00 0.27 0.00 0.00 31.44 31.41 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 -2.30 0.47 -0.98 5.31 3.01 -1.24 -5.05 119.74 118.97 1ily s LYS 43 Ca -0.22 0.07 -0.11 0.00 -1.01 0.00 0.00 55.97 54.70 1ily s LYS 43 Cb 0.08 -1.11 -0.32 0.00 -1.01 0.00 0.00 37.83 35.47 1ily s LYS 43 CO 0.30 -0.38 2.18 0.41 0.51 0.00 0.00 175.35 178.37 1ily n GLY 44 N 5.17 -0.47 2.68 -3.33 0.00 -1.22 -4.49 105.19 103.53 1ily n GLY 44 Ca -0.07 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 1.53 0.16 -0.15 1.61 1.01 -1.05 -4.95 120.40 118.56 1ily s VAL 45 Ca 1.28 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1ily s VAL 45 Cb -0.78 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1ily s VAL 45 CO 0.52 -0.13 1.33 -0.89 0.00 0.00 0.00 175.10 175.93 1ily s THR 46 N 2.03 4.16 -0.19 3.92 2.01 -1.26 0.89 115.64 127.20 1ily s THR 46 Ca 0.02 1.40 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 1ily s THR 46 Cb -0.15 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 1ily s THR 46 CO -0.07 -0.14 -0.32 0.18 -0.69 0.00 0.00 174.62 173.57 1ily n LEU 47 N 6.76 1.93 -4.28 4.42 4.32 -0.52 -4.94 117.00 124.69 1ily n LEU 47 Ca 0.15 0.36 -0.25 0.00 -0.02 0.00 0.00 56.01 56.25 1ily n LEU 47 Cb 0.45 -0.77 -0.13 0.00 -1.62 0.00 0.00 43.42 41.34 1ily n LEU 47 CO 0.57 -0.15 -0.52 -0.69 -1.22 0.00 0.00 177.39 175.38 1ily s VAL 48 N -2.77 1.74 -0.21 4.08 1.01 -0.97 -5.00 120.40 118.28 1ily s VAL 48 Ca -0.29 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1ily s VAL 48 Cb 0.06 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 35.00 1ily s VAL 48 CO 0.42 0.09 0.36 -0.94 0.00 0.00 0.00 175.10 175.03 1ily s SER 49 N -1.54 0.19 0.10 3.32 1.04 -1.26 0.15 113.70 115.71 1ily s SER 49 Ca 0.08 0.51 0.07 0.00 0.48 0.00 0.00 55.95 57.08 1ily s SER 49 Cb -0.09 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.05 1ily s SER 49 CO 0.03 -0.27 -0.18 0.00 0.98 0.00 0.00 173.24 173.80 1ily s ALA 50 N 2.53 1.59 -0.12 5.32 0.00 -0.85 -4.97 121.76 125.26 1ily s ALA 50 Ca 0.06 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 1ily s ALA 50 Cb -0.14 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ily s ALA 50 CO -0.13 0.27 0.37 0.45 0.00 0.00 0.00 175.76 176.72 1ily s SER 51 N -1.95 -0.36 0.25 0.00 0.15 -1.26 -1.37 113.70 109.16 1ily s SER 51 Ca 0.05 0.64 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 1ily s SER 51 Cb -0.09 0.68 0.35 0.00 -1.71 0.00 0.00 66.02 65.25 1ily s SER 51 CO 0.04 -0.20 1.88 0.28 1.20 0.00 0.00 173.24 176.44 1ily h SER 52 N 5.21 0.98 -0.26 5.45 0.02 -1.94 -1.88 113.55 121.12 1ily h SER 52 Ca -0.27 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1ily h SER 52 Cb 1.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1ily h SER 52 CO 0.29 0.64 0.07 0.17 -1.14 0.00 0.00 176.83 176.87 1ily h LEU 53 N 1.12 0.39 -1.92 5.07 8.10 -1.94 -1.15 115.31 124.99 1ily h LEU 53 Ca 0.40 -0.22 0.10 0.00 0.11 0.00 0.00 57.88 58.27 1ily h LEU 53 Cb 0.11 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.21 1ily h LEU 53 CO -0.16 0.50 0.27 0.00 -4.11 0.00 0.00 178.44 174.95 1ily h ALA 54 N 0.90 2.25 -0.43 0.17 0.00 -1.81 0.89 119.26 121.23 1ily h ALA 54 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ily h ALA 54 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ily h ALA 54 CO -0.00 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1ily n LEU 55 N -4.45 2.93 -0.61 0.00 4.32 -0.75 -4.94 117.00 113.51 1ily n LEU 55 Ca 0.06 -1.47 0.00 0.00 -0.02 0.00 0.00 56.01 54.58 1ily n LEU 55 Cb 0.40 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ily n LEU 55 CO 0.35 0.58 0.00 0.29 -1.22 0.00 0.00 177.39 177.39 1ily n LYS 56 N 0.71 -0.13 -0.68 3.23 5.02 0.31 -4.77 118.16 121.84 1ily n LYS 56 Ca 0.16 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 1ily n LYS 56 Cb 0.53 0.12 0.26 0.00 -0.02 0.00 0.00 35.03 35.92 1ily n LYS 56 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1ily s LEU 57 N -0.74 -0.03 -0.42 -0.35 2.34 -1.24 -4.98 118.68 113.26 1ily s LEU 57 Ca 0.00 0.93 0.05 0.00 0.06 0.00 0.00 54.13 55.17 1ily s LEU 57 Cb 0.00 -2.58 0.43 0.00 -0.56 0.00 0.00 46.19 43.48 1ily s LEU 57 CO 0.00 -4.63 1.19 1.17 -1.06 0.00 0.00 176.35 173.02 1ily n LYS 58 N -5.15 3.44 0.00 1.48 4.81 -1.26 -4.99 118.16 116.50 1ily n LYS 58 Ca 0.10 -4.34 0.00 0.00 -0.87 0.00 0.00 58.31 53.20 1ily n LYS 58 Cb 0.59 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ily n GLY 59 N -0.56 4.23 0.26 3.14 0.00 -1.26 -5.18 105.19 105.83 1ily n GLY 59 Ca 0.42 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.93 -0.10 1.61 2.85 -1.26 -5.06 115.26 114.24 1ily n ASN 60 Ca 0.00 -1.13 -0.23 0.00 -0.11 0.00 0.00 54.58 53.11 1ily n ASN 60 Cb 0.00 -0.01 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 1ily n ASN 60 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1ily n LYS 61 N -0.68 0.60 0.00 1.20 2.85 -1.26 -4.24 118.16 116.63 1ily n LYS 61 Ca 0.00 0.45 -0.01 0.00 -1.05 0.00 0.00 58.31 57.70 1ily n LYS 61 Cb 0.04 -1.68 -0.11 0.00 -0.65 0.00 0.00 35.03 32.64 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ily n THR 62 N -4.22 1.09 -0.30 0.58 -2.24 -1.26 -3.16 114.28 104.77 1ily n THR 62 Ca -0.38 -0.70 -0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1ily n THR 62 Cb 0.79 -0.61 0.12 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.00 0.93 0.00 -0.78 4.81 -1.97 -2.58 114.58 114.99 1ily h GLU 63 Ca -0.22 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ily h GLU 63 Cb 1.64 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1ily h GLU 63 CO 0.04 0.62 -1.22 0.28 -0.73 0.00 0.00 179.01 178.00 1ily n VAL 64 N -4.62 0.27 -0.26 0.32 0.31 -1.26 -4.38 118.33 108.71 1ily n VAL 64 Ca 0.11 -0.39 0.25 0.00 -0.01 0.00 0.00 64.34 64.30 1ily n VAL 64 Cb 0.15 -0.00 0.45 0.00 -0.91 0.00 0.00 33.84 33.53 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 -2.02 0.82 0.30 3.52 0.00 -0.97 0.15 120.51 122.31 1ily n ALA 65 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 1ily n ALA 65 Cb 0.50 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.78 -0.27 0.00 2.43 -1.64 -0.41 114.38 113.72 1ily h ARG 66 Ca 0.64 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.94 1ily h ARG 66 Cb 1.77 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 1ily h ARG 66 CO -0.53 -0.49 0.51 1.96 -1.51 0.00 0.00 179.97 179.91 1ily h GLN 67 N -1.17 0.00 0.04 0.20 4.20 0.11 1.81 115.11 120.30 1ily h GLN 67 Ca -0.08 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 1ily h GLN 67 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1ily h GLN 67 CO 0.14 0.00 -1.12 -0.24 -0.67 0.00 0.00 178.83 176.93 1ily h VAL 68 N 0.00 1.60 0.01 -0.54 3.04 0.71 -2.22 116.25 118.85 1ily h VAL 68 Ca 0.13 -3.27 -0.20 0.00 -1.01 0.00 0.00 66.70 62.35 1ily h VAL 68 Cb 1.14 2.86 -0.02 0.00 -2.01 0.00 0.00 31.29 33.26 1ily h VAL 68 CO -0.00 0.93 -0.92 1.23 -1.01 0.00 0.00 177.57 177.80 1ily h GLY 69 N 2.53 0.06 1.29 3.17 0.00 0.42 -1.70 103.07 108.84 1ily h GLY 69 Ca -0.07 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 1ily h GLY 69 CO 0.15 0.11 -0.65 0.07 0.00 0.00 0.00 176.54 176.23 1ily h ARG 70 N 0.02 0.72 -0.56 4.80 -0.00 0.04 0.89 114.38 120.29 1ily h ARG 70 Ca -0.02 -0.51 -0.10 0.00 -0.00 0.00 0.00 59.98 59.34 1ily h ARG 70 Cb 1.60 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.63 1ily h ARG 70 CO 0.13 1.13 -0.06 0.00 -0.00 0.00 0.00 179.97 181.17 1ily h ALA 71 N 0.74 0.84 0.37 0.08 0.00 -1.40 0.48 119.26 120.37 1ily h ALA 71 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1ily h ALA 71 Cb 1.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ily h ALA 71 CO 0.13 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 181.12 1ily h LEU 72 N 0.91 -0.42 -2.17 0.00 5.85 -1.12 -1.12 115.31 117.25 1ily h LEU 72 Ca 0.15 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1ily h LEU 72 Cb 0.61 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1ily h LEU 72 CO 0.04 -0.09 0.27 0.00 -0.34 0.00 0.00 178.44 178.32 1ily h ALA 73 N -0.27 1.82 -0.10 1.25 0.00 0.86 1.02 119.26 123.84 1ily h ALA 73 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 73 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ily h ALA 73 CO 0.08 -0.38 -0.71 1.49 0.00 0.00 0.00 179.25 179.73 1ily h GLU 74 N 0.00 0.46 0.11 0.00 4.81 0.61 -1.23 114.58 119.34 1ily h GLU 74 Ca 0.11 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1ily h GLU 74 Cb 0.64 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1ily h GLU 74 CO -0.00 0.99 -0.05 0.87 -0.73 0.00 0.00 179.01 180.09 1ily h LYS 75 N 0.32 -0.14 -0.98 1.92 1.57 0.21 -2.52 116.57 116.95 1ily h LYS 75 Ca -0.03 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.08 1ily h LYS 75 Cb 1.29 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 1ily h LYS 75 CO 0.13 -0.10 0.47 0.00 -0.57 0.00 0.00 179.45 179.38 1ily h ALA 76 N -1.78 1.81 -0.99 3.86 0.00 -0.67 1.41 119.26 122.90 1ily h ALA 76 Ca -0.02 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ily h ALA 76 Cb 0.12 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 76 CO 0.03 -0.61 0.65 -0.07 0.00 0.00 0.00 179.25 179.24 1ily h LEU 77 N 0.23 1.08 -1.92 0.00 3.38 -1.27 -0.93 115.31 115.88 1ily h LEU 77 Ca 0.71 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.75 1ily h LEU 77 Cb 1.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1ily h LEU 77 CO -0.66 0.74 0.44 0.00 0.09 0.00 0.00 178.44 179.05 1ily h ALA 78 N 1.40 1.90 0.00 1.53 0.00 0.24 1.18 119.26 125.51 1ily h ALA 78 Ca 0.39 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.07 1ily h ALA 78 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ily h ALA 78 CO -0.12 -0.59 -1.49 -0.07 0.00 0.00 0.00 179.25 176.97 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.15 -3.48 115.31 114.07 1ily h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ily h LEU 79 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ily h LEU 79 CO -0.00 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1ily n GLY 80 N 1.46 1.39 3.58 0.83 0.00 0.41 -5.05 105.19 107.80 1ily n GLY 80 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.62 -0.16 -0.61 1.09 -0.92 -4.84 121.20 117.38 1ily s ILE 81 Ca 0.00 0.57 -0.12 0.00 -1.10 0.00 0.00 60.65 60.00 1ily s ILE 81 Cb 0.00 -4.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.34 1ily s ILE 81 CO 0.00 -0.75 -0.13 1.17 -0.10 0.00 0.00 174.94 175.13 1ily n LYS 82 N 8.55 0.48 -4.33 2.79 4.81 -1.26 -4.20 118.16 125.00 1ily n LYS 82 Ca 0.19 0.51 -0.31 0.00 -0.87 0.00 0.00 58.31 57.83 1ily n LYS 82 Cb 0.49 -1.68 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.32 2.33 0.13 1.64 1.11 -1.26 0.21 119.66 121.50 1ily s GLN 83 Ca -0.19 -0.89 0.03 0.00 0.01 0.00 0.00 55.36 54.32 1ily s GLN 83 Cb 0.03 -2.40 -0.04 0.00 -1.01 0.00 0.00 33.01 29.59 1ily s GLN 83 CO 0.30 0.55 -0.06 0.08 0.01 0.00 0.00 175.29 176.17 1ily s VAL 84 N -1.13 0.83 -0.52 1.09 1.01 -0.16 -4.08 120.40 117.44 1ily s VAL 84 Ca 0.20 -1.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.02 1ily s VAL 84 Cb -0.11 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.50 1ily s VAL 84 CO 0.12 -0.73 0.57 0.00 0.00 0.00 0.00 175.10 175.05 1ily s ALA 85 N -3.55 3.46 -0.57 5.51 0.00 0.89 -4.03 121.76 123.48 1ily s ALA 85 Ca 0.16 -2.03 -0.28 0.00 0.00 0.00 0.00 51.96 49.82 1ily s ALA 85 Cb 0.05 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ily s ALA 85 CO -0.01 -2.01 1.14 0.12 0.00 0.00 0.00 175.76 175.00 1ily s PHE 86 N 2.28 2.65 -0.41 0.00 5.36 -1.26 0.10 117.98 126.70 1ily s PHE 86 Ca 0.10 0.36 0.07 0.00 -0.96 0.00 0.00 56.93 56.50 1ily s PHE 86 Cb -0.23 -4.43 0.23 0.00 -0.34 0.00 0.00 43.02 38.26 1ily s PHE 86 CO 0.08 -1.52 0.55 -3.47 -1.46 0.00 0.00 175.22 169.40 1ily n ASP 87 N 8.23 -0.55 -0.29 6.13 -0.08 -1.14 -4.99 116.55 123.86 1ily n ASP 87 Ca 0.07 -2.73 0.07 0.00 -1.51 0.00 0.00 54.79 50.69 1ily n ASP 87 Cb 0.49 -0.16 0.21 0.00 2.34 0.00 0.00 41.12 44.00 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1ily h ARG 88 N 4.33 0.58 0.00 -0.67 -0.00 -1.88 -3.46 114.38 113.27 1ily h ARG 88 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.02 1ily h ARG 88 Cb 0.92 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.76 1ily h ARG 88 CO 0.41 0.38 0.00 0.41 -0.00 0.00 0.00 179.97 181.17 1ily n GLY 89 N -1.32 0.56 1.81 0.08 0.00 -1.26 -4.68 105.19 100.38 1ily n GLY 89 Ca 0.16 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.75 1.61 -0.04 -1.26 -4.93 135.00 128.42 1ily n PRO 90 Ca 0.00 -1.64 -0.20 0.00 -0.04 0.00 0.00 63.50 61.61 1ily n PRO 90 Cb 0.00 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.87 3.25 0.08 0.54 1.51 -1.26 -5.13 117.35 114.47 1ily s TYR 91 Ca 0.32 -0.13 0.07 0.00 -1.01 0.00 0.00 57.07 56.32 1ily s TYR 91 Cb 0.26 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1ily s TYR 91 CO 0.02 0.23 -0.18 0.21 -1.11 0.00 0.00 175.55 174.72 1ily s LYS 92 N -4.06 1.04 -0.68 -0.62 2.20 -1.26 -5.04 119.74 111.31 1ily s LYS 92 Ca 0.39 -1.03 -0.33 0.00 -0.36 0.00 0.00 55.97 54.65 1ily s LYS 92 Cb -0.09 -1.18 -0.16 0.00 -1.51 0.00 0.00 37.83 34.89 1ily s LYS 92 CO 0.30 0.28 2.46 0.98 -0.36 0.00 0.00 175.35 179.00 1ily n TYR 93 N 1.32 1.05 -4.50 4.03 9.36 -1.26 -4.89 117.16 122.27 1ily n TYR 93 Ca -0.20 0.35 -0.24 0.00 3.32 0.00 0.00 57.90 61.13 1ily n TYR 93 Cb 0.54 -2.46 -0.10 0.00 -0.63 0.00 0.00 39.34 36.69 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 8.98 2.23 0.31 2.98 2.46 -1.26 -5.03 115.29 125.95 1ily s HIS 94 Ca 1.20 -0.59 0.07 0.00 0.47 0.00 0.00 55.06 56.21 1ily s HIS 94 Cb -0.97 -1.30 0.85 0.00 -0.13 0.00 0.00 32.58 31.03 1ily s HIS 94 CO 0.46 0.45 1.67 0.78 -2.47 0.00 0.00 174.74 175.63 1ily h GLY 95 N 2.11 1.65 0.00 1.59 0.00 -2.00 -2.33 103.07 104.09 1ily h GLY 95 Ca -0.41 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ily h GLY 95 CO 0.70 -0.38 0.00 0.54 0.00 0.00 0.00 176.54 177.39 1ily n ARG 96 N -5.12 0.00 -0.32 4.80 5.12 -1.26 -2.25 116.66 117.63 1ily n ARG 96 Ca 0.25 0.56 0.22 0.00 -1.93 0.00 0.00 57.85 56.94 1ily n ARG 96 Cb 0.78 -1.45 0.41 0.00 -1.16 0.00 0.00 32.46 31.04 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 -2.05 -0.40 0.00 1.55 0.31 -0.99 0.10 118.33 116.86 1ily n VAL 97 Ca 0.00 2.01 0.00 0.00 -0.01 0.00 0.00 64.34 66.34 1ily n VAL 97 Cb 0.00 -3.08 0.00 0.00 -0.91 0.00 0.00 33.84 29.85 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 -5.28 0.00 -0.38 5.55 5.02 -0.91 0.72 118.16 122.88 1ily n LYS 98 Ca 0.29 0.33 -0.01 0.00 -2.02 0.00 0.00 58.31 56.90 1ily n LYS 98 Cb 0.95 -1.23 0.13 0.00 -0.02 0.00 0.00 35.03 34.86 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 -1.91 1.31 -0.19 7.82 0.00 -0.92 -1.93 119.26 123.45 1ily h ALA 99 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ily h ALA 99 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1ily h ALA 99 CO 0.00 0.61 0.03 1.25 0.00 0.00 0.00 179.25 181.14 1ily h LEU 100 N 1.32 0.29 -1.11 0.00 6.46 0.69 -1.89 115.31 121.07 1ily h LEU 100 Ca 0.39 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ily h LEU 100 Cb -0.07 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1ily h LEU 100 CO -0.11 0.47 0.42 0.00 -0.62 0.00 0.00 178.44 178.61 1ily h ALA 101 N 0.83 1.32 -0.56 1.25 0.00 0.58 -0.48 119.26 122.20 1ily h ALA 101 Ca 0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1ily h ALA 101 Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ily h ALA 101 CO 0.00 0.56 -0.07 1.05 0.00 0.00 0.00 179.25 180.79 1ily h GLU 102 N 1.05 1.04 0.22 0.00 4.11 -1.24 0.45 114.58 120.20 1ily h GLU 102 Ca 0.27 -0.36 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1ily h GLU 102 Cb 0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1ily h GLU 102 CO -0.04 1.05 -0.50 0.78 0.07 0.00 0.00 179.01 180.37 1ily h GLY 103 N 0.96 -1.11 2.00 1.06 0.00 -0.48 8.43 103.07 113.93 1ily h GLY 103 Ca 0.15 0.60 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 1ily h GLY 103 CO 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 176.54 176.24 1ily h ALA 104 N -0.53 1.81 0.01 3.60 0.00 0.59 1.45 119.26 126.17 1ily h ALA 104 Ca -0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1ily h ALA 104 Cb 0.77 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1ily h ALA 104 CO -0.22 0.06 -1.65 0.00 0.00 0.00 0.00 179.25 177.44 1ily h ARG 105 N 0.00 0.01 0.13 0.00 2.47 0.16 0.46 114.38 117.61 1ily h ARG 105 Ca -0.00 -0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1ily h ARG 105 Cb 0.09 0.01 0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1ily h ARG 105 CO 0.01 0.58 -1.23 1.05 0.56 0.00 0.00 179.97 180.93 1ily h GLU 106 N 0.00 0.41 -0.21 0.04 4.11 1.88 -3.32 114.58 117.49 1ily h GLU 106 Ca -0.26 -0.61 -0.04 0.00 0.07 0.00 0.00 59.36 58.51 1ily h GLU 106 Cb 1.99 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.45 1ily h GLU 106 CO 0.09 1.27 -0.02 0.78 0.07 0.00 0.00 179.01 181.20 1ily h GLY 107 N 1.03 0.42 0.00 1.06 0.00 0.18 -3.47 103.07 102.29 1ily h GLY 107 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ily h GLY 107 CO 0.22 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1ily n GLY 108 N -0.25 0.09 3.78 4.60 0.00 -1.17 -4.72 105.19 107.52 1ily n GLY 108 Ca -0.04 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 3.99 -0.43 0.99 1.02 0.16 -4.64 118.68 119.77 1ily s LEU 109 Ca 0.00 2.20 0.02 0.00 0.02 0.00 0.00 54.13 56.37 1ily s LEU 109 Cb 0.00 -4.30 0.13 0.00 0.02 0.00 0.00 46.19 42.04 1ily s LEU 109 CO 0.00 -0.86 0.21 -1.61 0.02 0.00 0.00 176.35 174.12 1ily s GLU 110 N -2.77 1.31 0.00 1.70 8.01 0.55 -3.49 118.70 124.01 1ily s GLU 110 Ca 0.64 -1.96 0.02 0.00 0.01 0.00 0.00 54.97 53.68 1ily s GLU 110 Cb -0.26 -2.46 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 1ily s GLU 110 CO 0.31 -1.12 0.57 1.97 0.01 0.00 0.00 175.26 177.00