#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 1.29 -4.67 2.89 7.99 -1.26 -3.75 117.00 119.49 1ily n LEU 23 Ca 0.00 1.14 -0.39 0.00 -0.01 0.00 0.00 56.01 56.76 1ily n LEU 23 Cb 0.00 -1.01 -0.07 0.00 -0.11 0.00 0.00 43.42 42.23 1ily n LEU 23 CO 0.00 -1.02 0.17 -0.60 -1.51 0.00 0.00 177.39 174.43 1ily s ARG 24 N 2.02 4.21 0.14 3.23 3.52 0.17 0.33 118.95 132.58 1ily s ARG 24 Ca 0.97 0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 56.74 1ily s ARG 24 Cb -1.25 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 28.54 1ily s ARG 24 CO 0.66 -0.06 0.58 -1.17 -0.81 0.00 0.00 175.30 174.50 1ily s LEU 25 N 1.35 4.37 -0.22 -0.88 0.20 0.83 -0.95 118.68 123.37 1ily s LEU 25 Ca 0.22 1.16 -0.03 0.00 0.69 0.00 0.00 54.13 56.16 1ily s LEU 25 Cb -0.15 -3.25 0.10 0.00 -0.43 0.00 0.00 46.19 42.46 1ily s LEU 25 CO 0.09 0.12 0.24 -0.44 -0.29 0.00 0.00 176.35 176.07 1ily s SER 26 N -1.60 1.37 -0.24 3.68 0.01 0.22 -3.06 113.70 114.07 1ily s SER 26 Ca 0.37 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.23 1ily s SER 26 Cb -0.16 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1ily s SER 26 CO 0.19 -0.33 0.24 0.54 0.41 0.00 0.00 173.24 174.29 1ily s VAL 27 N 2.34 5.29 0.00 3.43 0.11 -1.26 0.51 120.40 130.83 1ily s VAL 27 Ca 0.08 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1ily s VAL 27 Cb -0.15 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1ily s VAL 27 CO -0.16 0.28 0.02 0.12 -3.33 0.00 0.00 175.10 172.04 1ily s PHE 28 N 1.38 3.13 -0.18 1.54 5.36 0.20 -4.92 117.98 124.49 1ily s PHE 28 Ca 0.11 0.11 -0.06 0.00 -0.96 0.00 0.00 56.93 56.13 1ily s PHE 28 Cb -0.15 -1.68 0.09 0.00 -0.34 0.00 0.00 43.02 40.94 1ily s PHE 28 CO 0.07 0.49 0.36 1.03 -1.46 0.00 0.00 175.22 175.71 1ily s ARG 29 N -1.66 0.26 -0.01 10.12 1.81 -1.26 -0.17 118.95 128.05 1ily s ARG 29 Ca 0.21 0.90 -0.00 0.00 -1.72 0.00 0.00 55.73 55.11 1ily s ARG 29 Cb -0.12 0.14 -0.00 0.00 -0.45 0.00 0.00 34.95 34.52 1ily s ARG 29 CO 0.12 -0.29 -0.01 1.03 -0.68 0.00 0.00 175.30 175.46 1ily h SER 30 N 8.21 0.00 0.00 0.23 0.87 -1.94 -3.49 113.55 117.43 1ily h SER 30 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ily h SER 30 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ily h SER 30 CO 0.14 0.04 0.00 0.18 -0.53 0.00 0.00 176.83 176.66 1ily n LEU 31 N -2.38 -1.67 -0.04 2.23 4.77 -1.26 -4.92 117.00 113.74 1ily n LEU 31 Ca -0.00 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1ily n LEU 31 Cb 0.01 1.70 0.01 0.00 -2.33 0.00 0.00 43.42 42.81 1ily n LEU 31 CO 0.01 -0.37 0.37 0.29 -1.33 0.00 0.00 177.39 176.35 1ily n LYS 32 N -3.42 0.80 -3.80 3.23 5.02 -1.26 -4.97 118.16 113.76 1ily n LYS 32 Ca 0.00 -0.98 -0.37 0.00 -2.02 0.00 0.00 58.31 54.95 1ily n LYS 32 Cb 0.00 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.47 3.11 -0.19 2.13 3.76 -1.26 -4.84 115.29 117.53 1ily s HIS 33 Ca 0.01 -0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 53.90 1ily s HIS 33 Cb 0.01 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1ily s HIS 33 CO 0.01 -0.56 0.06 -1.50 -0.85 0.00 0.00 174.74 171.90 1ily s ILE 34 N 1.50 4.72 0.02 0.60 1.10 -1.26 -2.63 121.20 125.24 1ily s ILE 34 Ca 0.03 -0.06 -0.05 0.00 -0.51 0.00 0.00 60.65 60.07 1ily s ILE 34 Cb -0.16 -3.13 -0.01 0.00 0.15 0.00 0.00 42.46 39.31 1ily s ILE 34 CO 0.01 0.45 0.08 -0.31 -2.11 0.00 0.00 174.94 173.06 1ily s TYR 35 N 0.48 0.14 -0.05 3.50 1.51 0.76 -3.25 117.35 120.44 1ily s TYR 35 Ca 0.03 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1ily s TYR 35 Cb -0.13 -0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1ily s TYR 35 CO 0.01 -0.28 0.02 0.00 -1.11 0.00 0.00 175.55 174.19 1ily s ALA 36 N -1.72 0.44 -0.28 3.71 0.00 -0.33 0.58 121.76 124.16 1ily s ALA 36 Ca -0.13 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1ily s ALA 36 Cb -0.07 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1ily s ALA 36 CO -0.01 -0.37 0.01 -1.14 0.00 0.00 0.00 175.76 174.25 1ily s GLN 37 N 1.79 2.78 -0.56 0.00 2.00 0.18 -1.75 119.66 124.11 1ily s GLN 37 Ca 0.01 -1.04 -0.18 0.00 -2.00 0.00 0.00 55.36 52.16 1ily s GLN 37 Cb -0.12 -3.19 0.11 0.00 0.80 0.00 0.00 33.01 30.61 1ily s GLN 37 CO -0.04 -0.49 0.61 0.42 -0.50 0.00 0.00 175.29 175.29 1ily s ILE 38 N 1.36 4.99 0.30 -2.34 -1.09 0.14 -0.61 121.20 123.96 1ily s ILE 38 Ca -0.01 -1.18 0.06 0.00 -2.23 0.00 0.00 60.65 57.30 1ily s ILE 38 Cb -0.18 -4.41 -0.02 0.00 -1.58 0.00 0.00 42.46 36.27 1ily s ILE 38 CO -0.01 -0.99 0.37 -0.63 -1.23 0.00 0.00 174.94 172.45 1ily s ILE 39 N 2.21 4.32 -0.36 2.92 1.09 -0.13 -1.98 121.20 129.27 1ily s ILE 39 Ca 0.08 -1.12 -0.18 0.00 -1.10 0.00 0.00 60.65 58.32 1ily s ILE 39 Cb -0.26 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1ily s ILE 39 CO 0.05 -0.23 0.52 -0.62 -0.10 0.00 0.00 174.94 174.57 1ily s ASP 40 N -4.04 6.31 -0.19 3.58 -1.08 0.26 0.46 116.67 121.96 1ily s ASP 40 Ca 0.40 -0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.36 1ily s ASP 40 Cb -0.08 -2.27 0.37 0.00 -1.46 0.00 0.00 42.92 39.48 1ily s ASP 40 CO 0.29 -0.52 1.36 -0.67 0.52 0.00 0.00 175.17 176.15 1ily n ASP 41 N 5.79 3.41 -0.06 -0.34 2.03 -1.25 -2.55 116.55 123.59 1ily n ASP 41 Ca -0.04 -2.71 -0.13 0.00 0.52 0.00 0.00 54.79 52.43 1ily n ASP 41 Cb 0.49 -0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.12 0.28 -3.79 -0.67 2.13 -1.26 -4.89 120.64 112.32 1ily n GLU 42 Ca 0.25 0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 1ily n GLU 42 Cb 0.98 -1.03 -0.17 0.00 0.27 0.00 0.00 31.44 31.49 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ily s LYS 43 N -2.24 0.78 -0.90 5.31 1.02 -1.24 -5.04 119.74 117.42 1ily s LYS 43 Ca -0.18 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 1ily s LYS 43 Cb 0.06 -1.28 -0.28 0.00 -0.52 0.00 0.00 37.83 35.81 1ily s LYS 43 CO 0.24 -0.36 2.13 0.41 -0.92 0.00 0.00 175.35 176.85 1ily n GLY 44 N 5.09 -0.41 2.66 -3.33 0.00 -1.22 -4.45 105.19 103.54 1ily n GLY 44 Ca -0.08 0.05 -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 2.89 0.10 -0.20 1.61 1.01 -1.06 -4.95 120.40 119.80 1ily s VAL 45 Ca 1.16 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 1ily s VAL 45 Cb -0.66 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ily s VAL 45 CO 0.44 -0.15 1.19 -0.89 0.00 0.00 0.00 175.10 175.70 1ily s THR 46 N 2.06 4.40 -0.17 3.92 2.01 -1.26 0.92 115.64 127.51 1ily s THR 46 Ca 0.02 1.67 -0.15 0.00 0.31 0.00 0.00 61.69 63.54 1ily s THR 46 Cb -0.15 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.17 1ily s THR 46 CO -0.08 -0.20 -0.31 0.18 -0.69 0.00 0.00 174.62 173.53 1ily n LEU 47 N 6.64 1.82 -4.30 4.42 4.32 -0.84 -4.95 117.00 124.11 1ily n LEU 47 Ca 0.13 0.31 -0.27 0.00 -0.02 0.00 0.00 56.01 56.16 1ily n LEU 47 Cb 0.45 -0.70 -0.14 0.00 -1.62 0.00 0.00 43.42 41.41 1ily n LEU 47 CO 0.56 -0.12 -0.54 -0.69 -1.22 0.00 0.00 177.39 175.37 1ily s VAL 48 N -2.72 1.89 -0.20 4.08 1.01 -0.98 -5.02 120.40 118.47 1ily s VAL 48 Ca -0.28 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1ily s VAL 48 Cb 0.06 -1.65 0.10 0.00 0.00 0.00 0.00 36.38 34.89 1ily s VAL 48 CO 0.39 0.20 0.35 -0.94 0.00 0.00 0.00 175.10 175.11 1ily s SER 49 N -1.42 0.22 0.10 3.32 1.04 -1.26 0.26 113.70 115.96 1ily s SER 49 Ca 0.09 0.49 0.10 0.00 0.48 0.00 0.00 55.95 57.11 1ily s SER 49 Cb -0.09 1.04 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 1ily s SER 49 CO 0.03 -0.27 -0.26 0.00 0.98 0.00 0.00 173.24 173.72 1ily s ALA 50 N 2.52 2.23 -0.15 5.32 0.00 -0.72 -4.97 121.76 126.01 1ily s ALA 50 Ca 0.06 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1ily s ALA 50 Cb -0.14 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.64 1ily s ALA 50 CO -0.13 0.51 0.37 -1.54 0.00 0.00 0.00 175.76 174.97 1ily s SER 51 N -1.80 -0.41 0.06 0.00 1.04 -1.26 -1.19 113.70 110.14 1ily s SER 51 Ca 0.12 0.77 -0.34 0.00 0.48 0.00 0.00 55.95 56.99 1ily s SER 51 Cb -0.10 0.74 -0.19 0.00 0.10 0.00 0.00 66.02 66.57 1ily s SER 51 CO 0.05 -0.15 1.59 0.28 0.98 0.00 0.00 173.24 175.98 1ily h SER 52 N 6.06 -0.85 0.31 7.02 0.02 -1.84 -2.12 113.55 122.15 1ily h SER 52 Ca -0.30 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ily h SER 52 Cb 1.18 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1ily h SER 52 CO 0.28 -0.60 0.00 0.25 -1.14 0.00 0.00 176.83 175.63 1ily h LEU 53 N -1.03 0.00 0.14 5.07 7.12 -1.65 -2.84 115.31 122.12 1ily h LEU 53 Ca -0.10 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.90 1ily h LEU 53 Cb 0.78 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1ily h LEU 53 CO 0.17 0.00 -0.07 0.00 -0.13 0.00 0.00 178.44 178.41 1ily h ALA 54 N 2.09 -0.22 -0.25 1.25 0.00 -1.65 -3.38 119.26 117.11 1ily h ALA 54 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ily h ALA 54 Cb 0.16 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1ily h ALA 54 CO 0.00 -0.21 -0.18 -0.07 0.00 0.00 0.00 179.25 178.79 1ily h LEU 55 N -0.85 -0.60 0.00 0.00 4.07 -1.38 -3.46 115.31 113.09 1ily h LEU 55 Ca -0.02 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ily h LEU 55 Cb 0.14 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1ily h LEU 55 CO 0.03 -0.22 0.00 2.29 -1.08 0.00 0.00 178.44 179.46 1ily n LYS 56 N -5.34 0.00 -1.59 1.13 2.85 -1.19 -5.11 118.16 108.90 1ily n LYS 56 Ca -0.01 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.74 1ily n LYS 56 Cb 0.25 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.57 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ily n LEU 57 N 0.00 2.65 -0.37 -5.58 4.77 -1.08 -4.83 117.00 112.57 1ily n LEU 57 Ca 0.00 0.74 0.08 0.00 -0.03 0.00 0.00 56.01 56.80 1ily n LEU 57 Cb 0.00 -1.28 0.16 0.00 -2.33 0.00 0.00 43.42 39.97 1ily n LEU 57 CO 0.00 -0.44 0.45 1.17 -1.33 0.00 0.00 177.39 177.24 1ily n LYS 58 N 7.06 1.32 0.00 3.23 0.00 -1.26 -2.10 118.16 126.40 1ily n LYS 58 Ca 0.31 -2.82 0.00 0.00 0.00 0.00 0.00 58.31 55.81 1ily n LYS 58 Cb 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ily n GLY 59 N -1.18 1.14 3.86 3.14 0.00 -1.26 -5.04 105.19 105.85 1ily n GLY 59 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.00 2.62 -0.15 1.61 -0.87 -1.26 -5.04 114.94 110.86 1ily s ASN 60 Ca 0.00 0.34 0.02 0.00 -1.57 0.00 0.00 52.86 51.66 1ily s ASN 60 Cb 0.00 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.25 40.70 1ily s ASN 60 CO 0.00 -3.04 -0.11 2.29 -2.57 0.00 0.00 177.10 173.66 1ily n LYS 61 N -3.99 0.59 -0.02 -0.60 0.00 -1.26 -4.52 118.16 108.36 1ily n LYS 61 Ca 0.15 0.08 -0.05 0.00 -0.00 0.00 0.00 58.31 58.48 1ily n LYS 61 Cb 0.59 -1.30 -0.13 0.00 -0.00 0.00 0.00 35.03 34.19 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ily n THR 62 N -2.88 1.33 0.19 0.58 -2.24 -1.26 -2.57 114.28 107.43 1ily n THR 62 Ca -0.26 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.62 1ily n THR 62 Cb 0.80 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.49 0.00 -0.78 4.81 -1.98 -3.00 114.58 113.14 1ily h GLU 63 Ca -0.29 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1ily h GLU 63 Cb 1.88 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.36 1ily h GLU 63 CO 0.05 -0.33 -0.73 0.28 -0.73 0.00 0.00 179.01 177.56 1ily h VAL 64 N -0.51 0.17 -0.53 0.32 2.07 -1.79 -3.38 116.25 112.60 1ily h VAL 64 Ca -0.02 -1.29 0.18 0.00 0.82 0.00 0.00 66.70 66.38 1ily h VAL 64 Cb 0.45 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.95 1ily h VAL 64 CO -0.00 0.10 0.12 0.00 0.02 0.00 0.00 177.57 177.81 1ily n ALA 65 N -2.20 0.38 0.38 1.67 0.00 -1.06 0.16 120.51 119.84 1ily n ALA 65 Ca -0.00 0.56 -0.15 0.00 0.00 0.00 0.00 53.44 53.85 1ily n ALA 65 Cb 0.61 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 1ily n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ily h ARG 66 N 0.00 -0.95 -0.61 0.00 2.43 -1.56 0.16 114.38 113.85 1ily h ARG 66 Ca 0.37 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.78 1ily h ARG 66 Cb 0.87 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1ily h ARG 66 CO -0.46 -0.63 0.71 1.96 -1.51 0.00 0.00 179.97 180.04 1ily h GLN 67 N -1.17 0.00 0.08 0.20 4.20 0.13 2.20 115.11 120.75 1ily h GLN 67 Ca -0.10 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.36 1ily h GLN 67 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1ily h GLN 67 CO 0.17 0.00 -1.16 -0.24 -0.67 0.00 0.00 178.83 176.92 1ily h VAL 68 N 0.00 1.57 0.00 -0.54 3.04 0.79 -2.39 116.25 118.72 1ily h VAL 68 Ca 0.29 -3.19 -0.15 0.00 -1.01 0.00 0.00 66.70 62.64 1ily h VAL 68 Cb 1.71 2.91 -0.02 0.00 -2.01 0.00 0.00 31.29 33.88 1ily h VAL 68 CO -0.00 0.92 -0.69 1.23 -1.01 0.00 0.00 177.57 178.02 1ily h GLY 69 N 2.11 0.00 1.31 3.17 0.00 0.63 -1.15 103.07 109.13 1ily h GLY 69 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1ily h GLY 69 CO 0.18 0.00 -0.90 0.07 0.00 0.00 0.00 176.54 175.89 1ily h ARG 70 N 0.00 0.65 -0.18 4.80 -0.00 -0.04 0.83 114.38 120.44 1ily h ARG 70 Ca -0.01 -0.62 -0.14 0.00 -0.00 0.00 0.00 59.98 59.22 1ily h ARG 70 Cb 1.41 0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 31.52 1ily h ARG 70 CO 0.09 1.22 -0.48 0.00 -0.00 0.00 0.00 179.97 180.81 1ily h ALA 71 N 0.58 0.85 0.24 0.08 0.00 -1.43 0.57 119.26 120.15 1ily h ALA 71 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ily h ALA 71 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ily h ALA 71 CO 0.17 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.22 1ily h LEU 72 N 0.37 -0.27 -2.23 0.00 5.85 -1.09 0.22 115.31 118.16 1ily h LEU 72 Ca 0.02 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1ily h LEU 72 Cb 0.97 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ily h LEU 72 CO 0.09 0.16 -0.05 0.00 -0.34 0.00 0.00 178.44 178.29 1ily h ALA 73 N -0.20 1.45 0.00 1.25 0.00 0.61 0.64 119.26 123.01 1ily h ALA 73 Ca -0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1ily h ALA 73 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ily h ALA 73 CO 0.05 0.06 -0.90 0.93 0.00 0.00 0.00 179.25 179.40 1ily h GLU 74 N 0.00 0.01 0.03 0.00 5.08 0.39 -1.71 114.58 118.38 1ily h GLU 74 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ily h GLU 74 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ily h GLU 74 CO 0.01 0.90 -0.01 0.87 -1.00 0.00 0.00 179.01 179.78 1ily h LYS 75 N 0.01 -0.03 -0.94 2.33 1.57 0.30 -2.93 116.57 116.87 1ily h LYS 75 Ca -0.01 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.05 1ily h LYS 75 Cb 1.59 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.76 1ily h LYS 75 CO 0.12 -0.02 0.38 0.00 -0.57 0.00 0.00 179.45 179.35 1ily h ALA 76 N -1.94 1.59 -0.95 3.86 0.00 -0.08 1.05 119.26 122.79 1ily h ALA 76 Ca -0.00 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1ily h ALA 76 Cb 0.03 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1ily h ALA 76 CO 0.01 -0.53 0.61 -0.07 0.00 0.00 0.00 179.25 179.27 1ily h LEU 77 N 0.24 0.90 -2.04 0.00 3.38 -1.40 0.78 115.31 117.16 1ily h LEU 77 Ca 0.64 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.71 1ily h LEU 77 Cb 1.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1ily h LEU 77 CO -0.65 0.52 0.37 0.00 0.09 0.00 0.00 178.44 178.76 1ily h ALA 78 N 1.53 1.82 0.00 1.53 0.00 0.14 0.95 119.26 125.22 1ily h ALA 78 Ca 0.45 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 78 Cb 0.38 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ily h ALA 78 CO -0.20 -0.49 -1.50 -0.07 0.00 0.00 0.00 179.25 176.98 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.86 -3.48 115.31 114.35 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 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 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 1.38 3.59 0.83 0.00 0.33 -5.06 105.19 107.72 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 3.58 -0.22 -0.61 1.09 -0.97 -4.82 121.20 117.25 1ily s ILE 81 Ca 0.00 0.54 -0.17 0.00 -1.10 0.00 0.00 60.65 59.92 1ily s ILE 81 Cb 0.00 -3.92 -0.13 0.00 -1.06 0.00 0.00 42.46 37.35 1ily s ILE 81 CO 0.00 -0.68 -0.10 1.17 -0.10 0.00 0.00 174.94 175.23 1ily n LYS 82 N 8.54 0.55 -4.77 2.79 4.81 -1.26 -4.22 118.16 124.61 1ily n LYS 82 Ca 0.20 0.42 -0.32 0.00 -0.87 0.00 0.00 58.31 57.74 1ily n LYS 82 Cb 0.48 -1.62 -0.13 0.00 0.02 0.00 0.00 35.03 33.79 1ily n LYS 82 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ily s GLN 83 N -2.46 2.31 0.21 1.64 1.11 -1.26 0.17 119.66 121.39 1ily s GLN 83 Ca -0.30 -0.83 0.06 0.00 0.01 0.00 0.00 55.36 54.30 1ily s GLN 83 Cb 0.08 -2.30 -0.05 0.00 -1.01 0.00 0.00 33.01 29.74 1ily s GLN 83 CO 0.49 0.58 -0.10 0.08 0.01 0.00 0.00 175.29 176.35 1ily s VAL 84 N -0.84 1.52 -0.51 1.09 1.01 0.13 -4.21 120.40 118.59 1ily s VAL 84 Ca 0.13 -2.14 -0.14 0.00 0.00 0.00 0.00 61.98 59.83 1ily s VAL 84 Cb -0.11 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.28 1ily s VAL 84 CO 0.03 -0.54 0.44 0.00 0.00 0.00 0.00 175.10 175.03 1ily s ALA 85 N -3.11 3.56 -0.57 5.51 0.00 0.15 -4.01 121.76 123.29 1ily s ALA 85 Ca 0.23 -2.47 -0.28 0.00 0.00 0.00 0.00 51.96 49.45 1ily s ALA 85 Cb 0.02 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1ily s ALA 85 CO 0.07 -1.94 1.15 0.12 0.00 0.00 0.00 175.76 175.16 1ily s PHE 86 N 1.54 2.64 -0.29 0.00 5.36 -1.26 -0.12 117.98 125.85 1ily s PHE 86 Ca 0.04 0.36 0.19 0.00 -0.96 0.00 0.00 56.93 56.56 1ily s PHE 86 Cb -0.28 -4.44 0.49 0.00 -0.34 0.00 0.00 43.02 38.45 1ily s PHE 86 CO 0.02 -1.54 1.07 -0.25 -1.46 0.00 0.00 175.22 173.07 1ily n ASP 87 N 8.26 2.00 -0.31 6.13 9.92 -1.17 -4.93 116.55 136.44 1ily n ASP 87 Ca 0.08 -2.45 0.30 0.00 -0.53 0.00 0.00 54.79 52.18 1ily n ASP 87 Cb 0.49 -0.48 0.54 0.00 -0.64 0.00 0.00 41.12 41.03 1ily n ASP 87 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ily n ARG 88 N -0.46 -0.05 0.00 -1.24 1.85 -1.26 -4.88 116.66 110.62 1ily n ARG 88 Ca 0.13 1.20 0.00 0.00 -1.00 0.00 0.00 57.85 58.18 1ily n ARG 88 Cb 0.82 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ily n GLY 89 N -1.28 0.89 2.03 2.89 0.00 -1.26 -4.61 105.19 103.85 1ily n GLY 89 Ca 0.34 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 2.11 -3.95 1.61 -0.05 -1.26 -4.77 135.00 128.69 1ily n PRO 90 Ca 0.00 -1.09 -0.31 0.00 -0.05 0.00 0.00 63.50 62.05 1ily n PRO 90 Cb 0.00 -2.05 -0.15 0.00 -0.05 0.00 0.00 33.50 31.25 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 1.03 3.12 0.29 0.54 1.51 -1.26 -5.10 117.35 117.47 1ily s TYR 91 Ca 0.67 -2.52 -0.29 0.00 -1.01 0.00 0.00 57.07 53.92 1ily s TYR 91 Cb 0.31 -2.41 -0.10 0.00 -0.11 0.00 0.00 41.96 39.66 1ily s TYR 91 CO -0.01 -0.91 1.19 0.21 -1.11 0.00 0.00 175.55 174.92 1ily s LYS 92 N 1.13 4.52 -0.84 -0.62 2.47 -1.26 -4.83 119.74 120.31 1ily s LYS 92 Ca 0.07 1.96 -0.19 0.00 -1.56 0.00 0.00 55.97 56.25 1ily s LYS 92 Cb -0.19 -3.15 -0.21 0.00 -1.46 0.00 0.00 37.83 32.82 1ily s LYS 92 CO -0.11 0.03 2.23 0.98 0.16 0.00 0.00 175.35 178.64 1ily n TYR 93 N 1.24 0.69 -2.70 4.03 9.36 -1.26 -4.84 117.16 123.67 1ily n TYR 93 Ca 0.00 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1ily n TYR 93 Cb 0.44 -1.79 0.00 0.00 -0.63 0.00 0.00 39.34 37.36 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 13.62 -1.25 0.14 2.98 -0.00 -1.26 -5.00 115.22 124.45 1ily n HIS 94 Ca 0.51 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.58 1ily n HIS 94 Cb 0.34 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.14 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 -0.42 0.00 1.57 0.00 -1.99 -2.96 103.07 99.26 1ily h GLY 95 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ily h GLY 95 CO 0.00 -0.15 0.00 0.54 0.00 0.00 0.00 176.54 176.93 1ily n ARG 96 N -5.08 0.00 -0.53 4.80 5.12 -1.26 -0.39 116.66 119.32 1ily n ARG 96 Ca -0.09 0.79 0.43 0.00 -1.93 0.00 0.00 57.85 57.06 1ily n ARG 96 Cb 0.26 -1.44 0.74 0.00 -1.16 0.00 0.00 32.46 30.87 1ily n ARG 96 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 1ily h VAL 97 N 0.00 0.14 0.00 1.55 3.04 -1.93 0.19 116.25 119.23 1ily h VAL 97 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1ily h VAL 97 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 1ily h VAL 97 CO 0.00 0.01 0.00 1.17 -1.01 0.00 0.00 177.57 177.74 1ily n LYS 98 N -4.27 0.00 -0.35 4.17 4.81 0.48 0.28 118.16 123.28 1ily n LYS 98 Ca 0.38 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 58.09 1ily n LYS 98 Cb 1.64 -0.83 0.56 0.00 0.02 0.00 0.00 35.03 36.41 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ily h ALA 99 N -2.00 2.41 -0.32 3.14 0.00 -0.82 0.83 119.26 122.50 1ily h ALA 99 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1ily h ALA 99 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ily h ALA 99 CO 0.00 -0.86 -0.38 1.25 0.00 0.00 0.00 179.25 179.26 1ily h LEU 100 N 0.29 0.88 -0.97 0.00 6.46 -0.64 -2.14 115.31 119.20 1ily h LEU 100 Ca 0.65 -0.49 -0.09 0.00 -0.12 0.00 0.00 57.88 57.83 1ily h LEU 100 Cb 1.81 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1ily h LEU 100 CO -0.31 1.19 -0.19 0.00 -0.62 0.00 0.00 178.44 178.51 1ily h ALA 101 N 0.72 1.13 -0.36 1.25 0.00 0.52 -0.85 119.26 121.66 1ily h ALA 101 Ca 0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1ily h ALA 101 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ily h ALA 101 CO 0.09 0.54 -0.00 1.05 0.00 0.00 0.00 179.25 180.93 1ily h GLU 102 N 0.48 0.63 -0.12 0.00 4.11 -0.79 0.54 114.58 119.43 1ily h GLU 102 Ca 0.08 -0.20 0.04 0.00 0.07 0.00 0.00 59.36 59.35 1ily h GLU 102 Cb 0.60 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1ily h GLU 102 CO 0.04 0.75 -0.41 0.78 0.07 0.00 0.00 179.01 180.23 1ily h GLY 103 N 0.44 -0.70 1.71 1.06 0.00 -1.02 6.81 103.07 111.37 1ily h GLY 103 Ca 0.10 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 1ily h GLY 103 CO 0.02 -0.23 0.12 0.00 0.00 0.00 0.00 176.54 176.45 1ily h ALA 104 N 0.12 1.68 0.00 3.60 0.00 0.49 1.31 119.26 126.46 1ily h ALA 104 Ca 0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ily h ALA 104 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ily h ALA 104 CO -0.39 0.26 -1.44 -2.13 0.00 0.00 0.00 179.25 175.55 1ily n ARG 105 N -4.43 0.62 0.08 0.00 3.00 0.19 0.36 116.66 116.49 1ily n ARG 105 Ca 0.01 0.24 -0.13 0.00 -0.00 0.00 0.00 57.85 57.97 1ily n ARG 105 Cb 0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 32.46 30.64 1ily n ARG 105 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1ily h GLU 106 N 0.00 0.18 -0.08 -0.14 4.11 1.47 -3.33 114.58 116.78 1ily h GLU 106 Ca -0.18 -0.30 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 1ily h GLU 106 Cb 1.63 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1ily h GLU 106 CO 0.05 1.12 -0.20 0.78 0.07 0.00 0.00 179.01 180.82 1ily h GLY 107 N 2.10 0.32 0.00 1.06 0.00 0.16 -3.48 103.07 103.23 1ily h GLY 107 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ily h GLY 107 CO 0.17 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1ily n GLY 108 N 0.50 0.08 3.77 4.60 0.00 -1.13 -4.73 105.19 108.27 1ily n GLY 108 Ca -0.08 -0.00 -0.38 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 4.21 -0.38 0.99 1.02 0.16 -4.62 118.68 120.06 1ily s LEU 109 Ca 0.00 2.30 0.02 0.00 0.02 0.00 0.00 54.13 56.47 1ily s LEU 109 Cb 0.00 -4.01 0.12 0.00 0.02 0.00 0.00 46.19 42.32 1ily s LEU 109 CO 0.00 -0.61 0.16 -1.61 0.02 0.00 0.00 176.35 174.31 1ily s GLU 110 N -2.26 1.18 0.00 1.70 8.01 0.45 -3.40 118.70 124.39 1ily s GLU 110 Ca 0.56 -1.72 0.00 0.00 0.01 0.00 0.00 54.97 53.82 1ily s GLU 110 Cb -0.30 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 1ily s GLU 110 CO 0.37 -1.06 0.39 1.97 0.01 0.00 0.00 175.26 176.95