#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 3.50 -0.23 6.15 1.43 -1.26 -0.54 118.68 127.73 1ily s LEU 23 Ca 0.00 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1ily s LEU 23 Cb 0.00 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1ily s LEU 23 CO 0.00 0.27 0.15 -0.60 0.23 0.00 0.00 176.35 176.40 1ily s ARG 24 N -0.26 4.05 0.10 1.70 3.52 0.22 0.44 118.95 128.72 1ily s ARG 24 Ca 0.06 -0.28 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1ily s ARG 24 Cb -0.12 -3.50 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1ily s ARG 24 CO 0.02 0.08 0.56 -1.17 -0.81 0.00 0.00 175.30 173.98 1ily s LEU 25 N 1.00 4.47 -0.24 -0.88 0.20 0.23 -0.73 118.68 122.73 1ily s LEU 25 Ca 0.07 1.21 -0.02 0.00 0.69 0.00 0.00 54.13 56.08 1ily s LEU 25 Cb -0.13 -3.01 0.13 0.00 -0.43 0.00 0.00 46.19 42.75 1ily s LEU 25 CO 0.04 0.22 0.36 -0.44 -0.29 0.00 0.00 176.35 176.24 1ily s SER 26 N -1.29 0.46 -0.26 3.68 0.01 0.25 -1.67 113.70 114.88 1ily s SER 26 Ca 0.32 0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 1ily s SER 26 Cb -0.18 0.99 -0.04 0.00 0.21 0.00 0.00 66.02 67.00 1ily s SER 26 CO 0.19 -0.31 0.14 0.54 0.41 0.00 0.00 173.24 174.21 1ily s VAL 27 N 2.51 4.91 0.01 3.43 0.11 -1.26 0.49 120.40 130.60 1ily s VAL 27 Ca 0.12 0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1ily s VAL 27 Cb -0.15 -3.32 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 1ily s VAL 27 CO -0.17 0.29 0.27 0.12 -3.33 0.00 0.00 175.10 172.29 1ily s PHE 28 N 1.64 3.58 -0.19 1.54 5.36 0.26 -4.88 117.98 125.30 1ily s PHE 28 Ca 0.07 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.57 1ily s PHE 28 Cb -0.15 -2.00 0.09 0.00 -0.34 0.00 0.00 43.02 40.62 1ily s PHE 28 CO 0.08 0.61 0.37 1.03 -1.46 0.00 0.00 175.22 175.85 1ily s ARG 29 N -1.73 0.28 -0.13 10.12 0.52 -1.25 0.36 118.95 127.11 1ily s ARG 29 Ca 0.27 0.89 0.04 0.00 -0.52 0.00 0.00 55.73 56.40 1ily s ARG 29 Cb -0.13 0.11 -0.24 0.00 0.52 0.00 0.00 34.95 35.21 1ily s ARG 29 CO 0.16 -0.32 0.31 0.43 0.02 0.00 0.00 175.30 175.90 1ily n SER 30 N 5.38 1.47 0.00 0.23 7.64 -1.14 -4.99 113.62 122.20 1ily n SER 30 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1ily n SER 30 Cb 0.50 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -3.22 0.00 -0.04 -3.43 7.94 -1.26 -4.93 117.00 112.05 1ily n LEU 31 Ca -0.30 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1ily n LEU 31 Cb 1.05 0.00 0.01 0.00 0.53 0.00 0.00 43.42 45.01 1ily n LEU 31 CO 0.41 0.00 0.43 0.29 -1.11 0.00 0.00 177.39 177.40 1ily n LYS 32 N 0.00 1.67 -3.90 1.96 4.76 -1.26 -4.94 118.16 116.45 1ily n LYS 32 Ca 0.00 -1.20 -0.34 0.00 -2.87 0.00 0.00 58.31 53.90 1ily n LYS 32 Cb 0.00 -1.02 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ily s HIS 33 N -0.68 3.54 -0.16 2.13 3.76 -1.26 -4.74 115.29 117.88 1ily s HIS 33 Ca 0.01 -2.44 -0.10 0.00 -0.15 0.00 0.00 55.06 52.39 1ily s HIS 33 Cb 0.01 -2.78 -0.05 0.00 1.11 0.00 0.00 32.58 30.87 1ily s HIS 33 CO 0.01 -0.92 0.16 -1.50 -0.85 0.00 0.00 174.74 171.64 1ily s ILE 34 N 1.10 5.42 -0.22 0.60 2.07 -1.26 -2.88 121.20 126.03 1ily s ILE 34 Ca 0.04 0.26 -0.04 0.00 -1.41 0.00 0.00 60.65 59.51 1ily s ILE 34 Cb -0.21 -3.47 0.11 0.00 0.13 0.00 0.00 42.46 39.02 1ily s ILE 34 CO -0.05 0.50 0.28 -0.31 -1.91 0.00 0.00 174.94 173.45 1ily s TYR 35 N -0.17 -0.47 -0.25 3.50 1.51 0.16 -3.45 117.35 118.18 1ily s TYR 35 Ca 0.12 0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 56.45 1ily s TYR 35 Cb -0.12 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 1ily s TYR 35 CO 0.01 -0.64 0.48 0.00 -1.11 0.00 0.00 175.55 174.30 1ily s ALA 36 N 2.40 3.58 -0.29 3.71 0.00 0.12 0.93 121.76 132.21 1ily s ALA 36 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1ily s ALA 36 Cb -0.16 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1ily s ALA 36 CO -0.13 -0.66 0.02 -1.14 0.00 0.00 0.00 175.76 173.85 1ily s GLN 37 N 2.11 2.77 -0.62 0.00 2.00 0.18 -0.91 119.66 125.19 1ily s GLN 37 Ca 0.20 -1.05 -0.18 0.00 -2.00 0.00 0.00 55.36 52.34 1ily s GLN 37 Cb -0.16 -3.21 0.12 0.00 0.80 0.00 0.00 33.01 30.57 1ily s GLN 37 CO 0.09 -0.51 0.69 0.42 -0.50 0.00 0.00 175.29 175.49 1ily s ILE 38 N 1.36 4.94 0.35 -2.34 -1.09 0.15 -0.58 121.20 124.00 1ily s ILE 38 Ca -0.01 -1.23 0.07 0.00 -2.23 0.00 0.00 60.65 57.25 1ily s ILE 38 Cb -0.18 -4.48 -0.01 0.00 -1.58 0.00 0.00 42.46 36.22 1ily s ILE 38 CO -0.01 -1.09 0.47 -0.63 -1.23 0.00 0.00 174.94 172.45 1ily s ILE 39 N 2.30 3.82 -0.39 2.92 1.09 0.09 -1.99 121.20 129.05 1ily s ILE 39 Ca 0.11 -1.03 -0.15 0.00 -1.10 0.00 0.00 60.65 58.48 1ily s ILE 39 Cb -0.23 -3.31 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 1ily s ILE 39 CO 0.04 -0.13 0.31 -0.62 -0.10 0.00 0.00 174.94 174.43 1ily s ASP 40 N -4.19 6.11 -0.18 3.58 -1.08 0.25 0.73 116.67 121.89 1ily s ASP 40 Ca 0.46 -0.68 0.04 0.00 -0.52 0.00 0.00 52.55 51.85 1ily s ASP 40 Cb -0.09 -2.17 0.35 0.00 -1.46 0.00 0.00 42.92 39.56 1ily s ASP 40 CO 0.31 -0.40 1.33 -0.90 0.52 0.00 0.00 175.17 176.04 1ily n ASP 41 N 5.22 3.36 -0.07 -0.34 5.68 0.30 -2.52 116.55 128.18 1ily n ASP 41 Ca -0.11 -2.67 -0.13 0.00 -0.50 0.00 0.00 54.79 51.37 1ily n ASP 41 Cb 0.48 -0.64 -0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1ily n GLU 42 N -0.09 0.30 -3.77 0.11 2.13 -1.15 -4.68 120.64 113.49 1ily n GLU 42 Ca 0.24 0.12 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 1ily n GLU 42 Cb 0.95 -1.06 -0.17 0.00 0.27 0.00 0.00 31.44 31.43 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 -2.26 0.66 -0.97 5.31 1.02 -1.23 -5.04 119.74 117.23 1ily s LYS 43 Ca -0.19 -0.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 1ily s LYS 43 Cb 0.07 -1.21 -0.31 0.00 -0.52 0.00 0.00 37.83 35.85 1ily s LYS 43 CO 0.26 -0.37 2.19 0.41 -0.92 0.00 0.00 175.35 176.93 1ily n GLY 44 N 5.12 -0.44 2.67 -3.33 0.00 -1.21 -4.46 105.19 103.54 1ily n GLY 44 Ca -0.08 0.04 -0.25 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 2.40 0.14 -0.22 1.61 1.01 -1.05 -4.95 120.40 119.34 1ily s VAL 45 Ca 1.26 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1ily s VAL 45 Cb -0.74 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1ily s VAL 45 CO 0.49 -0.13 1.12 -0.89 0.00 0.00 0.00 175.10 175.69 1ily s THR 46 N 2.04 4.53 -0.15 3.92 2.01 -1.26 0.84 115.64 127.57 1ily s THR 46 Ca 0.02 1.84 -0.15 0.00 0.31 0.00 0.00 61.69 63.71 1ily s THR 46 Cb -0.15 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 1ily s THR 46 CO -0.07 -0.19 -0.30 0.18 -0.69 0.00 0.00 174.62 173.54 1ily n LEU 47 N 6.48 1.80 -4.35 4.42 4.32 -0.84 -4.96 117.00 123.87 1ily n LEU 47 Ca 0.13 0.30 -0.29 0.00 -0.02 0.00 0.00 56.01 56.13 1ily n LEU 47 Cb 0.46 -0.68 -0.14 0.00 -1.62 0.00 0.00 43.42 41.43 1ily n LEU 47 CO 0.54 -0.22 -0.56 -0.69 -1.22 0.00 0.00 177.39 175.23 1ily s VAL 48 N -2.73 2.13 -0.21 4.08 1.01 -0.96 -5.00 120.40 118.72 1ily s VAL 48 Ca -0.26 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.15 1ily s VAL 48 Cb 0.05 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.68 1ily s VAL 48 CO 0.37 0.23 0.35 -0.94 0.00 0.00 0.00 175.10 175.12 1ily s SER 49 N -1.57 0.23 0.21 3.32 1.04 -1.26 0.31 113.70 115.98 1ily s SER 49 Ca 0.12 0.47 0.10 0.00 0.48 0.00 0.00 55.95 57.13 1ily s SER 49 Cb -0.10 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.01 1ily s SER 49 CO 0.04 -0.27 -0.21 0.00 0.98 0.00 0.00 173.24 173.78 1ily s ALA 50 N 2.52 2.40 -0.16 5.32 0.00 -0.09 -4.96 121.76 126.80 1ily s ALA 50 Ca 0.06 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.28 1ily s ALA 50 Cb -0.14 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1ily s ALA 50 CO -0.13 0.31 0.36 -1.54 0.00 0.00 0.00 175.76 174.76 1ily s SER 51 N -2.93 -0.31 0.09 0.00 1.04 -1.26 0.11 113.70 110.43 1ily s SER 51 Ca 0.22 0.81 -0.33 0.00 0.48 0.00 0.00 55.95 57.12 1ily s SER 51 Cb -0.06 0.81 -0.16 0.00 0.10 0.00 0.00 66.02 66.72 1ily s SER 51 CO 0.10 -0.20 1.60 0.77 0.98 0.00 0.00 173.24 176.49 1ily h SER 52 N 7.49 -1.05 -0.02 7.02 4.64 -1.93 -0.49 113.55 129.22 1ily h SER 52 Ca -0.30 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1ily h SER 52 Cb 1.15 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1ily h SER 52 CO 0.26 -0.57 0.06 0.25 -0.87 0.00 0.00 176.83 175.95 1ily h LEU 53 N -0.88 0.00 0.08 5.97 7.12 -1.81 -2.03 115.31 123.76 1ily h LEU 53 Ca -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1ily h LEU 53 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1ily h LEU 53 CO -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 178.44 178.26 1ily h ALA 54 N 1.89 -0.11 -0.37 1.25 0.00 -1.54 -3.36 119.26 117.02 1ily h ALA 54 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ily h ALA 54 Cb 0.13 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1ily h ALA 54 CO -0.00 -0.13 -0.11 -0.07 0.00 0.00 0.00 179.25 178.93 1ily h LEU 55 N -0.95 -0.40 0.00 0.00 4.07 -0.82 -3.45 115.31 113.76 1ily h LEU 55 Ca -0.01 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1ily h LEU 55 Cb 0.50 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1ily h LEU 55 CO 0.02 -0.14 0.00 2.29 -1.08 0.00 0.00 178.44 179.52 1ily n LYS 56 N -5.31 0.00 -1.41 1.13 2.85 -1.10 -5.13 118.16 109.20 1ily n LYS 56 Ca 0.02 0.00 -0.55 0.00 -1.05 0.00 0.00 58.31 56.73 1ily n LYS 56 Cb 0.22 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.52 1ily n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ily n LEU 57 N 0.00 0.54 0.00 -5.58 0.00 -0.79 -4.84 117.00 106.33 1ily n LEU 57 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 56.01 57.03 1ily n LEU 57 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 43.42 42.64 1ily n LEU 57 CO 0.00 -1.17 0.03 1.17 0.00 0.00 0.00 177.39 177.43 1ily n LYS 58 N 2.43 1.83 0.00 1.96 4.81 -1.26 -3.94 118.16 123.98 1ily n LYS 58 Ca 0.22 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1ily n LYS 58 Cb 0.01 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 34.70 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 0.28 1.79 3.54 3.14 0.00 -1.26 -5.02 105.19 107.66 1ily n GLY 59 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1ily n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ily n ASN 60 N 0.00 2.53 -0.04 1.61 3.02 -1.26 -4.82 115.26 116.30 1ily n ASN 60 Ca 0.00 0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.43 1ily n ASN 60 Cb 0.00 -1.45 -0.13 0.00 -0.61 0.00 0.00 39.78 37.59 1ily n ASN 60 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ily h LYS 61 N 15.48 0.11 -0.46 3.52 3.64 -1.98 -3.29 116.57 133.58 1ily h LYS 61 Ca -0.31 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1ily h LYS 61 Cb 1.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1ily h LYS 61 CO 1.05 1.09 -0.12 1.79 -2.27 0.00 0.00 179.45 181.00 1ily h THR 62 N -0.74 1.26 -0.64 1.00 1.35 -1.88 1.03 112.91 114.29 1ily h THR 62 Ca -0.15 -1.21 0.09 0.00 -0.55 0.00 0.00 66.41 64.59 1ily h THR 62 Cb 1.33 1.03 -0.07 0.00 -1.73 0.00 0.00 68.15 68.70 1ily h THR 62 CO 0.00 0.42 0.27 -0.08 -0.25 0.00 0.00 175.52 175.88 1ily h GLU 63 N 0.77 0.46 0.00 4.72 4.81 -1.96 -2.48 114.58 120.90 1ily h GLU 63 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1ily h GLU 63 Cb 0.62 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ily h GLU 63 CO 0.04 0.31 -1.46 0.28 -0.73 0.00 0.00 179.01 177.44 1ily n VAL 64 N -4.95 0.46 -0.20 0.32 0.31 -1.14 -4.43 118.33 108.70 1ily n VAL 64 Ca 0.09 -0.55 0.14 0.00 -0.01 0.00 0.00 64.34 64.01 1ily n VAL 64 Cb 0.27 -0.25 0.26 0.00 -0.91 0.00 0.00 33.84 33.21 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 -2.25 0.45 0.34 3.52 0.00 0.35 0.16 120.51 123.09 1ily n ALA 65 Ca -0.03 0.64 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1ily n ALA 65 Cb 0.60 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.87 -0.35 0.00 1.12 -1.66 -0.95 114.38 111.67 1ily h ARG 66 Ca 0.44 0.06 0.10 0.00 -1.11 0.00 0.00 59.98 59.47 1ily h ARG 66 Cb 1.04 0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 1ily h ARG 66 CO -0.53 -0.55 0.56 1.96 -3.11 0.00 0.00 179.97 178.30 1ily h GLN 67 N -1.18 0.00 0.04 0.20 4.20 0.12 1.70 115.11 120.20 1ily h GLN 67 Ca -0.09 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.39 1ily h GLN 67 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1ily h GLN 67 CO 0.15 0.00 -1.04 -0.24 -0.67 0.00 0.00 178.83 177.04 1ily h VAL 68 N 0.00 1.57 0.00 -0.54 3.04 0.73 -2.31 116.25 118.74 1ily h VAL 68 Ca 0.17 -3.03 -0.19 0.00 -1.01 0.00 0.00 66.70 62.64 1ily h VAL 68 Cb 1.29 2.75 -0.03 0.00 -2.01 0.00 0.00 31.29 33.29 1ily h VAL 68 CO -0.00 0.88 -0.89 1.23 -1.01 0.00 0.00 177.57 177.77 1ily h GLY 69 N 2.14 0.00 1.14 3.17 0.00 0.37 -2.02 103.07 107.87 1ily h GLY 69 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 1ily h GLY 69 CO 0.16 0.00 -0.53 0.07 0.00 0.00 0.00 176.54 176.24 1ily h ARG 70 N 0.00 0.89 -0.59 4.80 -0.00 -0.22 0.85 114.38 120.10 1ily h ARG 70 Ca -0.01 -0.55 -0.10 0.00 -0.00 0.00 0.00 59.98 59.32 1ily h ARG 70 Cb 1.59 0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 31.60 1ily h ARG 70 CO 0.12 1.19 -0.00 0.00 -0.00 0.00 0.00 179.97 181.27 1ily h ALA 71 N 0.69 0.80 0.45 0.08 0.00 -1.43 0.42 119.26 120.26 1ily h ALA 71 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ily h ALA 71 Cb 1.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ily h ALA 71 CO 0.12 0.64 -0.22 1.25 0.00 0.00 0.00 179.25 181.05 1ily h LEU 72 N 0.95 -0.51 -2.13 0.00 5.85 -1.19 -1.44 115.31 116.83 1ily h LEU 72 Ca 0.17 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1ily h LEU 72 Cb 0.56 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ily h LEU 72 CO 0.03 -0.23 0.30 0.00 -0.34 0.00 0.00 178.44 178.20 1ily h ALA 73 N -0.33 1.85 -0.22 1.25 0.00 0.78 0.79 119.26 123.38 1ily h ALA 73 Ca -0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 73 Cb 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ily h ALA 73 CO 0.10 -0.42 -0.56 1.49 0.00 0.00 0.00 179.25 179.86 1ily h GLU 74 N 0.00 0.67 0.23 0.00 4.81 0.70 -0.87 114.58 120.12 1ily h GLU 74 Ca 0.11 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1ily h GLU 74 Cb 0.71 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1ily h GLU 74 CO -0.00 1.05 -0.11 0.87 -0.73 0.00 0.00 179.01 180.08 1ily h LYS 75 N 0.51 -0.30 -0.98 1.92 1.57 0.15 -2.40 116.57 117.04 1ily h LYS 75 Ca 0.01 0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.11 1ily h LYS 75 Cb 1.13 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 1ily h LYS 75 CO 0.11 -0.20 0.50 0.00 -0.57 0.00 0.00 179.45 179.29 1ily h ALA 76 N -1.54 1.80 -0.99 3.86 0.00 -0.93 1.26 119.26 122.72 1ily h ALA 76 Ca -0.03 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ily h ALA 76 Cb 0.24 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ily h ALA 76 CO 0.05 -0.54 0.66 -0.07 0.00 0.00 0.00 179.25 179.35 1ily h LEU 77 N 0.31 1.13 -1.91 0.00 3.38 -1.19 -1.31 115.31 115.72 1ily h LEU 77 Ca 0.69 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.73 1ily h LEU 77 Cb 1.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ily h LEU 77 CO -0.61 0.81 0.46 0.00 0.09 0.00 0.00 178.44 179.18 1ily h ALA 78 N 1.37 1.95 0.00 1.53 0.00 0.21 1.16 119.26 125.49 1ily h ALA 78 Ca 0.37 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 1ily h ALA 78 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1ily h ALA 78 CO -0.09 -0.63 -1.51 -0.07 0.00 0.00 0.00 179.25 176.96 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.20 -3.48 115.31 114.01 1ily h LEU 79 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ily h LEU 79 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ily h LEU 79 CO -0.00 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1ily n GLY 80 N 1.47 1.33 3.60 0.83 0.00 0.40 -5.05 105.19 107.76 1ily n GLY 80 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.33 -0.18 -0.61 1.09 -0.87 -4.83 121.20 117.12 1ily s ILE 81 Ca 0.00 0.33 -0.15 0.00 -1.10 0.00 0.00 60.65 59.73 1ily s ILE 81 Cb 0.00 -3.46 -0.09 0.00 -1.06 0.00 0.00 42.46 37.85 1ily s ILE 81 CO 0.00 -0.30 -0.15 1.17 -0.10 0.00 0.00 174.94 175.56 1ily n LYS 82 N 8.56 0.51 -4.23 2.79 4.81 -1.26 -4.24 118.16 125.10 1ily n LYS 82 Ca 0.25 0.44 -0.29 0.00 -0.87 0.00 0.00 58.31 57.84 1ily n LYS 82 Cb 0.47 -1.62 -0.10 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.45 2.14 0.13 1.64 -1.52 -1.26 0.18 119.66 118.51 1ily s GLN 83 Ca -0.25 -1.07 0.02 0.00 -1.95 0.00 0.00 55.36 52.11 1ily s GLN 83 Cb 0.05 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.51 1ily s GLN 83 CO 0.39 0.49 -0.04 0.08 -0.25 0.00 0.00 175.29 175.96 1ily s VAL 84 N -1.34 0.70 -0.81 1.09 1.01 0.12 -4.27 120.40 116.90 1ily s VAL 84 Ca 0.23 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.16 1ily s VAL 84 Cb -0.11 -1.84 0.21 0.00 0.00 0.00 0.00 36.38 34.64 1ily s VAL 84 CO 0.14 -0.73 0.72 0.00 0.00 0.00 0.00 175.10 175.23 1ily s ALA 85 N -3.63 4.04 -0.52 5.51 0.00 0.17 -4.07 121.76 123.27 1ily s ALA 85 Ca 0.16 -3.44 -0.28 0.00 0.00 0.00 0.00 51.96 48.40 1ily s ALA 85 Cb 0.05 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1ily s ALA 85 CO -0.01 -2.21 1.13 0.12 0.00 0.00 0.00 175.76 174.79 1ily s PHE 86 N -0.27 2.74 -0.30 0.00 2.19 -1.25 -0.60 117.98 120.49 1ily s PHE 86 Ca 0.20 0.54 0.02 0.00 0.33 0.00 0.00 56.93 58.02 1ily s PHE 86 Cb -0.13 -4.42 0.16 0.00 -1.31 0.00 0.00 43.02 37.32 1ily s PHE 86 CO -0.08 -1.39 0.40 -0.51 1.83 0.00 0.00 175.22 175.48 1ily s ASP 87 N 2.66 0.57 -0.02 6.13 1.11 -0.67 -4.94 116.67 121.50 1ily s ASP 87 Ca 0.44 -0.58 0.11 0.00 0.18 0.00 0.00 52.55 52.70 1ily s ASP 87 Cb -0.08 1.00 0.36 0.00 1.07 0.00 0.00 42.92 45.27 1ily s ASP 87 CO 0.28 -0.34 1.27 -1.14 1.18 0.00 0.00 175.17 176.42 1ily n ARG 88 N 5.19 2.09 0.00 8.23 3.00 -1.26 -4.78 116.66 129.14 1ily n ARG 88 Ca 0.02 -1.44 0.00 0.00 -0.00 0.00 0.00 57.85 56.42 1ily n ARG 88 Cb 0.49 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.55 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 0.99 1.54 1.80 5.14 0.00 -1.26 -4.32 105.19 109.08 1ily n GLY 89 Ca 0.13 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 3.03 1.58 -4.67 1.61 -0.05 -1.26 -4.85 135.00 130.38 1ily n PRO 90 Ca 0.00 -0.67 -0.33 0.00 -0.05 0.00 0.00 63.50 62.45 1ily n PRO 90 Cb 0.00 -1.55 -0.13 0.00 -0.05 0.00 0.00 33.50 31.77 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 1ily s TYR 91 N 0.27 2.87 0.11 0.54 1.51 -1.26 -5.12 117.35 116.27 1ily s TYR 91 Ca 0.36 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.09 1ily s TYR 91 Cb 0.18 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1ily s TYR 91 CO -0.01 -0.01 -0.12 0.21 -1.11 0.00 0.00 175.55 174.51 1ily s LYS 92 N -0.01 0.91 -0.65 -0.62 2.36 -1.26 -4.87 119.74 115.61 1ily s LYS 92 Ca -0.02 -1.19 -0.13 0.00 -2.55 0.00 0.00 55.97 52.09 1ily s LYS 92 Cb -0.14 -0.68 -0.19 0.00 -1.05 0.00 0.00 37.83 35.78 1ily s LYS 92 CO 0.04 0.12 1.57 0.98 1.55 0.00 0.00 175.35 179.60 1ily n TYR 93 N 0.55 0.17 -2.82 4.03 9.36 -1.26 -4.84 117.16 122.35 1ily n TYR 93 Ca -0.16 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1ily n TYR 93 Cb 0.57 -0.90 0.00 0.00 -0.63 0.00 0.00 39.34 38.38 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 5.12 -1.54 0.41 2.98 -0.00 -1.26 -5.01 115.22 115.91 1ily n HIS 94 Ca 0.44 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.75 1ily n HIS 94 Cb 0.06 0.00 0.41 0.00 -0.12 0.00 0.00 29.99 30.34 1ily n HIS 94 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1ily h GLY 95 N 0.00 0.00 0.00 1.57 0.00 -2.05 -3.39 103.07 99.21 1ily h GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ily h GLY 95 CO 0.00 0.00 -0.49 0.54 0.00 0.00 0.00 176.54 176.59 1ily n ARG 96 N -2.64 0.28 0.00 4.80 5.12 -1.26 -4.79 116.66 118.17 1ily n ARG 96 Ca 0.04 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1ily n ARG 96 Cb 0.39 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 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 -3.56 0.00 -0.20 1.55 0.31 -1.26 -1.63 118.33 113.54 1ily n VAL 97 Ca -0.07 0.65 -0.05 0.00 -0.01 0.00 0.00 64.34 64.86 1ily n VAL 97 Cb 0.25 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.34 -0.20 -0.05 5.55 0.00 -1.26 0.11 118.16 119.97 1ily n LYS 98 Ca 0.00 0.71 -0.13 0.00 -0.00 0.00 0.00 58.31 58.89 1ily n LYS 98 Cb 0.00 -1.04 -0.08 0.00 -0.00 0.00 0.00 35.03 33.91 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 0.22 0.17 -0.21 0.58 0.00 -1.61 -2.05 119.26 116.36 1ily h ALA 99 Ca 0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ily h ALA 99 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ily h ALA 99 CO -0.44 0.04 0.12 1.25 0.00 0.00 0.00 179.25 180.22 1ily h LEU 100 N -0.11 0.26 -0.98 0.00 6.46 -0.33 -2.28 115.31 118.34 1ily h LEU 100 Ca 0.02 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1ily h LEU 100 Cb 0.66 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1ily h LEU 100 CO 0.03 0.26 0.63 0.00 -0.62 0.00 0.00 178.44 178.74 1ily h ALA 101 N 1.01 1.36 -0.75 1.25 0.00 0.75 0.26 119.26 123.15 1ily h ALA 101 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ily h ALA 101 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ily h ALA 101 CO -0.01 0.40 0.33 1.05 0.00 0.00 0.00 179.25 181.02 1ily h GLU 102 N 1.13 1.09 0.06 0.00 4.11 -1.00 0.50 114.58 120.47 1ily h GLU 102 Ca 0.43 -0.17 0.02 0.00 0.07 0.00 0.00 59.36 59.71 1ily h GLU 102 Cb 0.19 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1ily h GLU 102 CO -0.18 0.86 -0.51 0.78 0.07 0.00 0.00 179.01 180.03 1ily h GLY 103 N 1.12 -1.06 1.90 1.06 0.00 -0.42 8.64 103.07 114.30 1ily h GLY 103 Ca 0.26 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 1ily h GLY 103 CO -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 176.54 176.28 1ily h ALA 104 N -0.39 1.85 0.00 3.60 0.00 0.01 1.45 119.26 125.79 1ily h ALA 104 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 104 Cb 0.73 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ily h ALA 104 CO -0.32 0.12 -1.28 -0.09 0.00 0.00 0.00 179.25 177.68 1ily h ARG 105 N 0.14 0.00 0.19 0.00 9.65 0.19 0.52 114.38 125.06 1ily h ARG 105 Ca 0.03 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.59 1ily h ARG 105 Cb 0.06 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1ily h ARG 105 CO -0.00 0.31 -1.56 1.05 2.80 0.00 0.00 179.97 182.57 1ily h GLU 106 N 0.00 0.40 -0.27 0.20 4.11 1.94 -3.34 114.58 117.62 1ily h GLU 106 Ca -0.14 -0.69 -0.02 0.00 0.07 0.00 0.00 59.36 58.58 1ily h GLU 106 Cb 1.54 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1ily h GLU 106 CO 0.05 1.31 0.07 0.78 0.07 0.00 0.00 179.01 181.29 1ily h GLY 107 N 0.82 0.46 0.00 1.06 0.00 0.18 -3.47 103.07 102.12 1ily h GLY 107 Ca -0.27 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ily h GLY 107 CO 0.21 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1ily n GLY 108 N -0.58 0.10 3.78 4.60 0.00 -1.15 -4.75 105.19 107.18 1ily n GLY 108 Ca -0.03 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 4.03 -0.32 0.99 1.02 0.18 -4.65 118.68 119.93 1ily s LEU 109 Ca 0.00 2.21 0.01 0.00 0.02 0.00 0.00 54.13 56.36 1ily s LEU 109 Cb 0.00 -4.25 0.10 0.00 0.02 0.00 0.00 46.19 42.06 1ily s LEU 109 CO 0.00 -0.80 0.09 -1.61 0.02 0.00 0.00 176.35 174.05 1ily s GLU 110 N -2.68 0.96 0.00 1.70 8.01 0.47 -3.34 118.70 123.81 1ily s GLU 110 Ca 0.62 -1.34 0.00 0.00 0.01 0.00 0.00 54.97 54.26 1ily s GLU 110 Cb -0.26 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 1ily s GLU 110 CO 0.32 -0.98 0.21 1.97 0.01 0.00 0.00 175.26 176.79