#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 3.98 -0.24 2.89 1.02 -1.26 0.11 118.68 125.18 1ily s LEU 23 Ca 0.00 0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.29 1ily s LEU 23 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1ily s LEU 23 CO 0.00 0.28 0.11 -0.60 0.02 0.00 0.00 176.35 176.17 1ily s ARG 24 N -0.28 3.88 0.15 1.70 3.52 0.14 0.27 118.95 128.33 1ily s ARG 24 Ca 0.09 -0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.16 1ily s ARG 24 Cb -0.12 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 1ily s ARG 24 CO 0.01 -0.03 0.59 -1.17 -0.81 0.00 0.00 175.30 173.89 1ily s LEU 25 N 1.25 4.38 -0.22 -0.88 0.20 0.13 -1.06 118.68 122.48 1ily s LEU 25 Ca 0.06 1.18 -0.03 0.00 0.69 0.00 0.00 54.13 56.03 1ily s LEU 25 Cb -0.14 -3.25 0.11 0.00 -0.43 0.00 0.00 46.19 42.47 1ily s LEU 25 CO 0.05 0.13 0.26 -0.44 -0.29 0.00 0.00 176.35 176.06 1ily s SER 26 N -1.57 1.17 -0.31 3.68 0.01 0.66 -2.56 113.70 114.78 1ily s SER 26 Ca 0.37 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.33 1ily s SER 26 Cb -0.16 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 1ily s SER 26 CO 0.19 -0.33 0.18 0.54 0.41 0.00 0.00 173.24 174.23 1ily s VAL 27 N 2.38 4.90 -0.07 3.43 0.11 -1.26 0.41 120.40 130.29 1ily s VAL 27 Ca 0.08 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 1ily s VAL 27 Cb -0.15 -3.45 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1ily s VAL 27 CO -0.15 0.10 0.34 0.12 -3.33 0.00 0.00 175.10 172.18 1ily s PHE 28 N 1.67 3.61 -0.10 1.54 5.36 0.21 -4.88 117.98 125.39 1ily s PHE 28 Ca 0.06 0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 1ily s PHE 28 Cb -0.17 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1ily s PHE 28 CO 0.08 0.50 -0.03 1.03 -1.46 0.00 0.00 175.22 175.34 1ily s ARG 29 N -0.47 1.00 0.00 10.12 0.52 -1.26 -0.95 118.95 127.91 1ily s ARG 29 Ca 0.21 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1ily s ARG 29 Cb -0.15 -1.37 0.00 0.00 0.52 0.00 0.00 34.95 33.95 1ily s ARG 29 CO 0.09 -0.33 0.00 0.43 0.02 0.00 0.00 175.30 175.51 1ily n SER 30 N 5.05 0.00 0.14 0.23 7.64 -1.26 -5.03 113.62 120.38 1ily n SER 30 Ca -0.09 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ily n SER 30 Cb 0.50 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.21 -1.47 -0.16 -3.43 0.00 -1.26 -4.93 117.00 103.55 1ily n LEU 31 Ca 0.00 0.50 0.10 0.00 0.00 0.00 0.00 56.01 56.60 1ily n LEU 31 Cb 0.00 1.52 0.15 0.00 0.00 0.00 0.00 43.42 45.09 1ily n LEU 31 CO 0.00 -0.35 0.58 0.29 0.00 0.00 0.00 177.39 177.91 1ily n LYS 32 N -3.20 1.44 -4.41 1.96 5.02 -1.26 -5.04 118.16 112.67 1ily n LYS 32 Ca 0.00 -2.62 -0.29 0.00 -2.02 0.00 0.00 58.31 53.38 1ily n LYS 32 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.88 2.05 -0.30 2.13 3.76 -1.26 -5.01 115.29 113.78 1ily s HIS 33 Ca 0.33 -0.82 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 1ily s HIS 33 Cb 0.29 -1.77 0.12 0.00 1.11 0.00 0.00 32.58 32.32 1ily s HIS 33 CO 0.03 0.09 0.66 -1.50 -0.85 0.00 0.00 174.74 173.17 1ily s ILE 34 N -2.78 -0.79 -0.16 0.60 1.10 -1.26 -4.27 121.20 113.64 1ily s ILE 34 Ca 0.23 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.34 1ily s ILE 34 Cb 0.02 -1.00 0.06 0.00 0.15 0.00 0.00 42.46 41.69 1ily s ILE 34 CO 0.13 0.00 0.06 -0.31 -2.11 0.00 0.00 174.94 172.71 1ily s TYR 35 N 2.64 0.50 -0.22 3.50 1.51 -0.12 -2.80 117.35 122.37 1ily s TYR 35 Ca -0.07 -0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 55.42 1ily s TYR 35 Cb -0.11 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1ily s TYR 35 CO -0.19 -0.51 0.28 0.00 -1.11 0.00 0.00 175.55 174.02 1ily s ALA 36 N 2.03 3.59 -0.25 3.71 0.00 -0.20 0.65 121.76 131.29 1ily s ALA 36 Ca 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ily s ALA 36 Cb -0.16 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1ily s ALA 36 CO -0.08 -0.22 -0.10 -1.14 0.00 0.00 0.00 175.76 174.22 1ily s GLN 37 N 1.13 2.56 -0.55 0.00 2.00 0.17 -1.87 119.66 123.09 1ily s GLN 37 Ca 0.14 -1.15 -0.17 0.00 -2.00 0.00 0.00 55.36 52.18 1ily s GLN 37 Cb -0.14 -2.88 0.11 0.00 0.80 0.00 0.00 33.01 30.90 1ily s GLN 37 CO 0.06 -0.46 0.57 0.42 -0.50 0.00 0.00 175.29 175.38 1ily s ILE 38 N 1.21 5.05 0.25 -2.34 -1.09 0.14 -0.25 121.20 124.17 1ily s ILE 38 Ca -0.04 -1.21 0.06 0.00 -2.23 0.00 0.00 60.65 57.24 1ily s ILE 38 Cb -0.18 -4.37 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 1ily s ILE 38 CO -0.06 -0.92 0.29 -0.63 -1.23 0.00 0.00 174.94 172.38 1ily s ILE 39 N 2.06 4.87 -0.31 2.92 1.09 -0.22 -1.95 121.20 129.65 1ily s ILE 39 Ca 0.07 -1.17 -0.19 0.00 -1.10 0.00 0.00 60.65 58.26 1ily s ILE 39 Cb -0.27 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1ily s ILE 39 CO 0.05 -0.33 0.56 -0.62 -0.10 0.00 0.00 174.94 174.49 1ily s ASP 40 N -3.92 6.40 -0.27 3.58 2.15 0.25 0.29 116.67 125.14 1ily s ASP 40 Ca 0.34 0.26 0.04 0.00 0.43 0.00 0.00 52.55 53.62 1ily s ASP 40 Cb -0.08 -2.29 0.47 0.00 -0.30 0.00 0.00 42.92 40.71 1ily s ASP 40 CO 0.27 -0.44 1.56 -0.67 -0.17 0.00 0.00 175.17 175.73 1ily n ASP 41 N 5.76 3.63 -0.07 -0.34 2.03 0.30 -2.52 116.55 125.34 1ily n ASP 41 Ca -0.03 -2.99 -0.14 0.00 0.52 0.00 0.00 54.79 52.15 1ily n ASP 41 Cb 0.49 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.41 0.31 -3.74 -0.67 2.13 -1.16 -4.05 120.64 113.06 1ily n GLU 42 Ca 0.36 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 58.07 1ily n GLU 42 Cb 1.21 -1.07 -0.17 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 -2.26 0.46 -0.98 5.31 1.02 -1.25 -5.05 119.74 117.00 1ily s LYS 43 Ca -0.19 0.08 -0.12 0.00 0.02 0.00 0.00 55.97 55.76 1ily s LYS 43 Cb 0.07 -1.08 -0.31 0.00 -0.52 0.00 0.00 37.83 35.98 1ily s LYS 43 CO 0.27 -0.37 2.21 0.41 -0.92 0.00 0.00 175.35 176.94 1ily n GLY 44 N 5.17 -0.46 2.63 -3.33 0.00 -1.23 -4.52 105.19 103.45 1ily n GLY 44 Ca -0.07 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 2.02 -0.05 -0.18 1.61 1.01 -1.05 -4.96 120.40 118.80 1ily s VAL 45 Ca 1.28 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 1ily s VAL 45 Cb -0.80 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1ily s VAL 45 CO 0.52 -0.16 1.14 -0.89 0.00 0.00 0.00 175.10 175.70 1ily s THR 46 N 2.13 4.50 -0.13 3.92 2.01 -1.26 0.87 115.64 127.68 1ily s THR 46 Ca 0.03 1.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.68 1ily s THR 46 Cb -0.15 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1ily s THR 46 CO -0.08 -0.13 -0.29 0.18 -0.69 0.00 0.00 174.62 173.62 1ily n LEU 47 N 6.18 1.79 -4.43 4.42 4.32 -0.82 -4.95 117.00 123.51 1ily n LEU 47 Ca 0.12 0.30 -0.32 0.00 -0.02 0.00 0.00 56.01 56.09 1ily n LEU 47 Cb 0.46 -0.67 -0.14 0.00 -1.62 0.00 0.00 43.42 41.45 1ily n LEU 47 CO 0.54 -0.36 -0.49 -0.69 -1.22 0.00 0.00 177.39 175.17 1ily s VAL 48 N -2.75 2.78 -0.21 4.08 1.01 -0.96 -5.00 120.40 119.35 1ily s VAL 48 Ca -0.24 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1ily s VAL 48 Cb 0.03 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.45 1ily s VAL 48 CO 0.35 0.57 0.36 -0.94 0.00 0.00 0.00 175.10 175.44 1ily s SER 49 N -0.75 0.20 0.07 3.32 1.04 -1.26 0.27 113.70 116.58 1ily s SER 49 Ca 0.11 0.50 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1ily s SER 49 Cb -0.10 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1ily s SER 49 CO 0.00 -0.27 -0.10 0.00 0.98 0.00 0.00 173.24 173.85 1ily s ALA 50 N 2.53 0.91 -0.14 5.32 0.00 -0.78 -5.00 121.76 124.59 1ily s ALA 50 Ca 0.06 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1ily s ALA 50 Cb -0.14 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.01 1ily s ALA 50 CO -0.13 0.04 0.38 -1.54 0.00 0.00 0.00 175.76 174.50 1ily s SER 51 N -1.86 -0.40 0.56 0.00 1.04 -1.26 -1.04 113.70 110.74 1ily s SER 51 Ca -0.03 0.77 0.36 0.00 0.48 0.00 0.00 55.95 57.53 1ily s SER 51 Cb -0.08 0.77 1.52 0.00 0.10 0.00 0.00 66.02 68.33 1ily s SER 51 CO 0.01 -0.13 1.75 0.28 0.98 0.00 0.00 173.24 176.13 1ily h SER 52 N 5.61 0.00 0.08 7.02 0.02 -1.91 0.17 113.55 124.54 1ily h SER 52 Ca -0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ily h SER 52 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ily h SER 52 CO 0.27 0.00 -0.04 0.25 -1.14 0.00 0.00 176.83 176.17 1ily h LEU 53 N 0.00 -0.09 -2.41 5.07 7.12 -1.95 -1.80 115.31 121.25 1ily h LEU 53 Ca 0.55 -0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.52 1ily h LEU 53 Cb 2.34 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 42.49 1ily h LEU 53 CO -0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 178.44 178.32 1ily h ALA 54 N 0.75 1.60 -0.31 1.25 0.00 -1.04 0.22 119.26 121.73 1ily h ALA 54 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ily h ALA 54 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ily h ALA 54 CO 0.02 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1ily n LEU 55 N -3.91 1.86 -0.28 0.00 4.32 -0.71 -4.93 117.00 113.35 1ily n LEU 55 Ca -0.03 -0.93 0.00 0.00 -0.02 0.00 0.00 56.01 55.03 1ily n LEU 55 Cb 0.10 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1ily n LEU 55 CO 0.28 0.42 0.00 0.29 -1.22 0.00 0.00 177.39 177.16 1ily n LYS 56 N 0.41 -0.06 -0.43 3.23 5.02 0.79 -4.77 118.16 122.35 1ily n LYS 56 Ca 0.11 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1ily n LYS 56 Cb 0.32 0.05 0.28 0.00 -0.02 0.00 0.00 35.03 35.66 1ily n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ily s LEU 57 N -0.34 -0.56 0.21 -0.35 1.43 -1.26 -4.93 118.68 112.87 1ily s LEU 57 Ca 0.00 1.04 0.09 0.00 -1.03 0.00 0.00 54.13 54.23 1ily s LEU 57 Cb 0.00 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.72 1ily s LEU 57 CO 0.00 -5.05 1.46 0.50 0.23 0.00 0.00 176.35 173.49 1ily h LYS 58 N -3.20 0.00 0.00 1.70 1.63 -1.99 -3.44 116.57 111.26 1ily h LYS 58 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1ily h LYS 58 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1ily h LYS 58 CO 0.35 0.78 0.00 0.41 -3.45 0.00 0.00 179.45 177.54 1ily n GLY 59 N 0.79 -1.79 2.84 5.01 0.00 -1.26 -5.15 105.19 105.63 1ily n GLY 59 Ca -0.00 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 1ily n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ily s ASN 60 N 0.00 0.85 0.00 1.61 0.01 -1.26 -5.03 114.94 111.12 1ily s ASN 60 Ca 0.00 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1ily s ASN 60 Cb 0.00 0.81 0.00 0.00 0.41 0.00 0.00 41.25 42.47 1ily s ASN 60 CO 0.00 -0.33 0.00 0.29 -1.51 0.00 0.00 177.10 175.55 1ily n LYS 61 N 5.34 0.00 0.09 -0.60 5.02 -1.26 -4.16 118.16 122.59 1ily n LYS 61 Ca -0.03 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.66 1ily n LYS 61 Cb 0.49 -0.87 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ily h THR 62 N 0.00 0.51 -0.54 -0.18 1.35 -1.96 -2.80 112.91 109.28 1ily h THR 62 Ca 0.00 -1.84 0.06 0.00 -0.55 0.00 0.00 66.41 64.07 1ily h THR 62 Cb 0.00 2.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 1ily h THR 62 CO 0.00 0.29 0.26 -0.08 -0.25 0.00 0.00 175.52 175.74 1ily h GLU 63 N 0.00 0.49 0.00 4.72 4.57 -1.95 -2.82 114.58 119.59 1ily h GLU 63 Ca -0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1ily h GLU 63 Cb 1.38 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1ily h GLU 63 CO 0.04 0.32 -1.41 0.28 -1.18 0.00 0.00 179.01 177.06 1ily n VAL 64 N -4.90 0.37 -0.29 0.32 0.31 -1.26 -4.37 118.33 108.52 1ily n VAL 64 Ca 0.06 -0.53 0.27 0.00 -0.01 0.00 0.00 64.34 64.13 1ily n VAL 64 Cb 0.16 -0.20 0.48 0.00 -0.91 0.00 0.00 33.84 33.38 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 -2.21 0.89 0.29 3.52 0.00 -1.06 0.15 120.51 122.09 1ily n ALA 65 Ca -0.02 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 54.04 1ily n ALA 65 Cb 0.56 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.75 -0.39 0.00 2.43 -1.69 -0.99 114.38 112.99 1ily h ARG 66 Ca 0.67 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 60.00 1ily h ARG 66 Cb 1.91 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.61 1ily h ARG 66 CO -0.51 -0.47 0.54 1.96 -1.51 0.00 0.00 179.97 179.98 1ily h GLN 67 N -1.16 0.00 0.03 0.20 4.20 0.11 1.67 115.11 120.17 1ily h GLN 67 Ca -0.08 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 1ily h GLN 67 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1ily h GLN 67 CO 0.13 0.00 -0.99 -0.24 -0.67 0.00 0.00 178.83 177.06 1ily h VAL 68 N 0.00 1.52 0.04 -0.54 3.04 0.61 -2.13 116.25 118.79 1ily h VAL 68 Ca 0.19 -2.82 -0.22 0.00 -1.01 0.00 0.00 66.70 62.83 1ily h VAL 68 Cb 1.27 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 33.17 1ily h VAL 68 CO -0.00 0.82 -1.01 1.23 -1.01 0.00 0.00 177.57 177.60 1ily h GLY 69 N 1.88 0.16 1.38 3.17 0.00 0.35 -1.94 103.07 108.08 1ily h GLY 69 Ca -0.06 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1ily h GLY 69 CO 0.15 0.32 -0.14 0.07 0.00 0.00 0.00 176.54 176.94 1ily h ARG 70 N 0.06 0.73 -0.26 4.80 -0.00 0.56 0.88 114.38 121.14 1ily h ARG 70 Ca -0.06 -0.25 -0.05 0.00 -0.00 0.00 0.00 59.98 59.63 1ily h ARG 70 Cb 1.71 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 31.62 1ily h ARG 70 CO 0.15 0.83 -0.02 0.00 -0.00 0.00 0.00 179.97 180.94 1ily h ALA 71 N 1.19 0.35 0.00 0.08 0.00 -1.33 0.39 119.26 119.94 1ily h ALA 71 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ily h ALA 71 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ily h ALA 71 CO 0.04 0.11 -0.00 -0.07 0.00 0.00 0.00 179.25 179.33 1ily h LEU 72 N 0.24 -0.00 -2.36 0.00 3.38 -0.98 -1.21 115.31 114.38 1ily h LEU 72 Ca 0.07 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ily h LEU 72 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ily h LEU 72 CO 0.02 0.13 0.03 0.00 0.09 0.00 0.00 178.44 178.70 1ily h ALA 73 N 0.86 1.64 -0.11 1.53 0.00 0.83 0.53 119.26 124.55 1ily h ALA 73 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ily h ALA 73 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ily h ALA 73 CO 0.00 -0.04 -0.62 1.49 0.00 0.00 0.00 179.25 180.08 1ily h GLU 74 N 0.00 0.40 0.09 0.00 4.81 0.82 -1.25 114.58 119.45 1ily h GLU 74 Ca 0.01 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ily h GLU 74 Cb 0.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ily h GLU 74 CO -0.00 0.89 -0.04 0.87 -0.73 0.00 0.00 179.01 180.00 1ily h LYS 75 N 0.30 -0.11 -0.95 1.92 1.57 0.60 -2.91 116.57 116.98 1ily h LYS 75 Ca -0.01 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1ily h LYS 75 Cb 1.15 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.33 1ily h LYS 75 CO 0.11 -0.08 0.37 0.00 -0.57 0.00 0.00 179.45 179.28 1ily h ALA 76 N -1.44 1.61 -0.96 3.86 0.00 -0.24 1.19 119.26 123.27 1ily h ALA 76 Ca -0.01 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ily h ALA 76 Cb 0.09 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1ily h ALA 76 CO 0.02 -0.58 0.63 -0.07 0.00 0.00 0.00 179.25 179.25 1ily h LEU 77 N 0.20 1.05 -1.87 0.00 3.38 -1.32 -1.26 115.31 115.49 1ily h LEU 77 Ca 0.66 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.75 1ily h LEU 77 Cb 1.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ily h LEU 77 CO -0.68 0.72 0.52 0.00 0.09 0.00 0.00 178.44 179.09 1ily h ALA 78 N 1.39 2.14 0.00 1.53 0.00 0.17 1.24 119.26 125.73 1ily h ALA 78 Ca 0.38 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1ily h ALA 78 Cb -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ily h ALA 78 CO -0.12 -0.74 -1.41 -0.07 0.00 0.00 0.00 179.25 176.91 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 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ily h LEU 79 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ily h LEU 79 CO -0.00 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1ily n GLY 80 N 1.41 1.35 3.56 0.83 0.00 0.43 -5.05 105.19 107.72 1ily n GLY 80 Ca -0.10 0.00 -0.40 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 3.48 -0.13 -0.61 1.09 -0.83 -4.76 121.20 117.45 1ily s ILE 81 Ca 0.00 0.35 0.15 0.00 -1.10 0.00 0.00 60.65 60.06 1ily s ILE 81 Cb 0.00 -4.05 -0.22 0.00 -1.06 0.00 0.00 42.46 37.13 1ily s ILE 81 CO 0.00 -0.94 0.13 2.29 -0.10 0.00 0.00 174.94 176.32 1ily n LYS 82 N 8.97 1.16 -4.84 2.79 0.00 -1.26 -4.09 118.16 120.89 1ily n LYS 82 Ca 0.18 -0.04 -0.25 0.00 -0.00 0.00 0.00 58.31 58.20 1ily n LYS 82 Cb 0.50 -1.42 -0.15 0.00 -0.00 0.00 0.00 35.03 33.96 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 -2.57 1.45 0.17 -1.58 -0.44 -1.26 0.35 119.66 115.78 1ily s GLN 83 Ca -0.08 -0.67 0.02 0.00 -2.50 0.00 0.00 55.36 52.13 1ily s GLN 83 Cb 0.06 -1.41 -0.05 0.00 -1.64 0.00 0.00 33.01 29.98 1ily s GLN 83 CO 0.68 0.38 0.01 0.08 0.50 0.00 0.00 175.29 176.94 1ily s VAL 84 N -0.46 0.63 -0.43 1.34 1.01 0.46 -4.34 120.40 118.61 1ily s VAL 84 Ca 0.07 -1.97 -0.09 0.00 0.00 0.00 0.00 61.98 59.98 1ily s VAL 84 Cb -0.07 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1ily s VAL 84 CO -0.00 -0.47 0.28 0.00 0.00 0.00 0.00 175.10 174.91 1ily s ALA 85 N -3.69 3.32 -0.56 5.51 0.00 0.14 -4.17 121.76 122.31 1ily s ALA 85 Ca 0.24 -2.23 -0.27 0.00 0.00 0.00 0.00 51.96 49.70 1ily s ALA 85 Cb 0.06 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1ily s ALA 85 CO 0.04 -1.71 1.12 0.12 0.00 0.00 0.00 175.76 175.33 1ily s PHE 86 N 1.42 2.67 -0.33 0.00 5.36 -1.26 0.21 117.98 126.06 1ily s PHE 86 Ca 0.04 0.32 0.11 0.00 -0.96 0.00 0.00 56.93 56.44 1ily s PHE 86 Cb -0.24 -4.39 0.46 0.00 -0.34 0.00 0.00 43.02 38.51 1ily s PHE 86 CO 0.02 -1.50 1.13 -0.25 -1.46 0.00 0.00 175.22 173.15 1ily n ASP 87 N 8.14 3.84 -0.30 6.13 8.00 -1.06 -4.90 116.55 136.40 1ily n ASP 87 Ca 0.07 -3.29 0.06 0.00 0.71 0.00 0.00 54.79 52.33 1ily n ASP 87 Cb 0.49 -0.42 0.15 0.00 -0.02 0.00 0.00 41.12 41.32 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1ily h ARG 88 N 2.46 0.03 0.00 -1.24 0.11 -1.89 -3.48 114.38 110.36 1ily h ARG 88 Ca 0.20 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1ily h ARG 88 Cb 1.29 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1ily h ARG 88 CO 0.64 0.02 0.00 0.41 0.10 0.00 0.00 179.97 181.14 1ily n GLY 89 N -1.50 0.31 2.35 0.08 0.00 -1.26 -4.82 105.19 100.34 1ily n GLY 89 Ca 0.15 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 2.27 -3.91 1.61 -0.04 -1.26 -4.94 135.00 128.73 1ily n PRO 90 Ca 0.00 -2.13 -0.33 0.00 -0.04 0.00 0.00 63.50 61.00 1ily n PRO 90 Cb 0.00 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 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 -1.59 3.55 0.18 0.54 1.51 -1.26 -5.11 117.35 115.16 1ily s TYR 91 Ca 0.54 0.35 0.10 0.00 -1.01 0.00 0.00 57.07 57.05 1ily s TYR 91 Cb 0.35 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1ily s TYR 91 CO -0.17 0.64 -0.21 0.21 -1.11 0.00 0.00 175.55 174.91 1ily s LYS 92 N -2.01 1.40 -0.53 -0.62 2.47 -1.26 -5.05 119.74 114.13 1ily s LYS 92 Ca 0.28 -1.47 -0.34 0.00 -1.56 0.00 0.00 55.97 52.89 1ily s LYS 92 Cb -0.13 -1.59 -0.14 0.00 -1.46 0.00 0.00 37.83 34.52 1ily s LYS 92 CO 0.20 0.33 2.33 0.98 0.16 0.00 0.00 175.35 179.35 1ily n TYR 93 N 0.27 1.29 0.00 4.03 9.36 -1.26 -4.86 117.16 126.00 1ily n TYR 93 Ca -0.13 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1ily n TYR 93 Cb 0.57 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 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 10.71 0.00 0.00 2.98 -0.00 -1.26 -5.09 115.22 122.56 1ily n HIS 94 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 1ily n HIS 94 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1ily n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ily n GLY 95 N 5.00 0.00 0.00 1.57 0.00 -1.26 -4.80 105.19 105.70 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 3.21 0.00 0.00 0.00 173.32 176.53 1ily h ARG 96 N 0.00 -0.00 -1.40 1.61 2.47 -1.95 -3.35 114.38 111.76 1ily h ARG 96 Ca 0.00 0.00 0.42 0.00 -1.26 0.00 0.00 59.98 59.14 1ily h ARG 96 Cb 0.51 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.76 1ily h ARG 96 CO 0.00 -0.00 0.99 0.28 0.56 0.00 0.00 179.97 181.80 1ily n VAL 97 N -2.10 -0.04 0.00 2.04 0.31 -1.26 -1.48 118.33 115.80 1ily n VAL 97 Ca -0.00 1.18 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 1ily n VAL 97 Cb 0.00 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 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 -3.63 0.00 -0.28 5.55 4.01 -1.26 0.85 118.16 123.41 1ily n LYS 98 Ca 0.33 0.02 0.07 0.00 -0.51 0.00 0.00 58.31 58.22 1ily n LYS 98 Cb 1.45 -0.91 0.21 0.00 -0.51 0.00 0.00 35.03 35.27 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ily h ALA 99 N -2.01 1.20 -0.88 7.82 0.00 -1.55 0.52 119.26 124.36 1ily h ALA 99 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ily h ALA 99 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ily h ALA 99 CO 0.00 -0.14 0.55 1.25 0.00 0.00 0.00 179.25 180.91 1ily h LEU 100 N 0.55 1.04 -0.80 0.00 6.46 -1.20 0.38 115.31 121.74 1ily h LEU 100 Ca 0.45 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 58.05 1ily h LEU 100 Cb 0.65 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1ily h LEU 100 CO -0.38 0.78 -0.28 0.00 -0.62 0.00 0.00 178.44 177.95 1ily h ALA 101 N 1.30 0.98 -0.14 1.25 0.00 0.25 -0.34 119.26 122.56 1ily h ALA 101 Ca 0.32 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ily h ALA 101 Cb -0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ily h ALA 101 CO -0.06 0.60 -0.12 0.93 0.00 0.00 0.00 179.25 180.59 1ily h GLU 102 N 0.51 0.33 -0.50 0.00 5.08 -0.27 0.43 114.58 120.15 1ily h GLU 102 Ca 0.07 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ily h GLU 102 Cb 0.74 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1ily h GLU 102 CO 0.06 0.71 -0.50 0.78 -1.00 0.00 0.00 179.01 179.06 1ily h GLY 103 N -0.05 -0.74 0.96 -3.84 0.00 0.04 8.19 103.07 107.64 1ily h GLY 103 Ca 0.02 0.64 0.01 0.00 0.00 0.00 0.00 47.33 48.01 1ily h GLY 103 CO 0.03 -0.13 0.23 0.00 0.00 0.00 0.00 176.54 176.67 1ily h ALA 104 N 0.29 0.47 0.14 3.60 0.00 0.17 0.98 119.26 124.91 1ily h ALA 104 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ily h ALA 104 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ily h ALA 104 CO -0.65 -0.10 -0.07 0.00 0.00 0.00 0.00 179.25 178.44 1ily h ARG 105 N 0.47 -0.18 -0.83 0.00 3.08 0.13 0.35 114.38 117.40 1ily h ARG 105 Ca 0.14 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.40 1ily h ARG 105 Cb -0.03 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 29.94 1ily h ARG 105 CO -0.05 0.21 0.26 1.05 -1.07 0.00 0.00 179.97 180.38 1ily h GLU 106 N -0.94 0.29 -0.23 0.04 4.11 1.75 0.93 114.58 120.53 1ily h GLU 106 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ily h GLU 106 Cb 0.48 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ily h GLU 106 CO 0.03 0.19 0.13 0.78 0.07 0.00 0.00 179.01 180.21 1ily h GLY 107 N 0.30 0.33 0.00 1.06 0.00 0.96 -3.46 103.07 102.25 1ily h GLY 107 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ily h GLY 107 CO -0.56 0.14 0.00 0.61 0.00 0.00 0.00 176.54 176.73 1ily n GLY 108 N -1.00 0.05 3.78 4.60 0.00 0.31 -4.77 105.19 108.17 1ily n GLY 108 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 3.77 -0.43 0.99 1.02 0.12 -4.41 118.68 119.74 1ily s LEU 109 Ca 0.00 2.09 0.02 0.00 0.02 0.00 0.00 54.13 56.26 1ily s LEU 109 Cb 0.00 -4.57 0.13 0.00 0.02 0.00 0.00 46.19 41.77 1ily s LEU 109 CO 0.00 -1.09 0.22 -1.61 0.02 0.00 0.00 176.35 173.89 1ily s GLU 110 N -3.29 1.31 0.00 1.70 2.02 1.10 -3.64 118.70 117.90 1ily s GLU 110 Ca 0.71 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.73 1ily s GLU 110 Cb -0.21 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1ily s GLU 110 CO 0.25 -1.13 0.27 1.97 0.02 0.00 0.00 175.26 176.64