#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 1.40 -4.68 6.15 7.99 -1.26 -3.75 117.00 122.85 1ily n LEU 23 Ca 0.00 1.13 -0.38 0.00 -0.01 0.00 0.00 56.01 56.75 1ily n LEU 23 Cb 0.00 -1.06 -0.08 0.00 -0.11 0.00 0.00 43.42 42.18 1ily n LEU 23 CO 0.00 -1.02 0.04 -0.60 -1.51 0.00 0.00 177.39 174.30 1ily s ARG 24 N 1.72 4.18 0.12 3.23 3.52 0.15 0.28 118.95 132.15 1ily s ARG 24 Ca 0.94 0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 56.49 1ily s ARG 24 Cb -1.16 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 28.65 1ily s ARG 24 CO 0.61 0.03 0.57 -1.17 -0.81 0.00 0.00 175.30 174.53 1ily s LEU 25 N 1.10 4.42 -0.20 -0.88 0.20 0.13 -0.98 118.68 122.47 1ily s LEU 25 Ca 0.17 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 56.13 1ily s LEU 25 Cb -0.14 -3.13 0.08 0.00 -0.43 0.00 0.00 46.19 42.57 1ily s LEU 25 CO 0.07 0.17 0.16 -0.44 -0.29 0.00 0.00 176.35 176.02 1ily s SER 26 N -1.45 1.96 -0.23 3.68 0.01 0.50 -2.85 113.70 115.33 1ily s SER 26 Ca 0.34 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 56.99 1ily s SER 26 Cb -0.17 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1ily s SER 26 CO 0.19 -0.35 0.23 0.54 0.41 0.00 0.00 173.24 174.26 1ily s VAL 27 N 2.23 5.31 -0.01 3.43 0.11 -1.26 0.50 120.40 130.71 1ily s VAL 27 Ca 0.05 0.34 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1ily s VAL 27 Cb -0.16 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1ily s VAL 27 CO -0.14 0.32 -0.07 0.12 -3.33 0.00 0.00 175.10 172.01 1ily s PHE 28 N 1.11 2.90 -0.18 1.54 5.36 0.18 -4.91 117.98 123.97 1ily s PHE 28 Ca 0.11 -0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.00 1ily s PHE 28 Cb -0.14 -1.63 0.09 0.00 -0.34 0.00 0.00 43.02 40.99 1ily s PHE 28 CO 0.05 0.36 0.36 0.50 -1.46 0.00 0.00 175.22 175.04 1ily s ARG 29 N -1.27 0.26 -0.15 10.12 6.06 -1.26 0.07 118.95 132.78 1ily s ARG 29 Ca 0.16 0.88 -0.13 0.00 -2.50 0.00 0.00 55.73 54.14 1ily s ARG 29 Cb -0.11 0.12 -0.24 0.00 0.06 0.00 0.00 34.95 34.78 1ily s ARG 29 CO 0.06 -0.30 0.32 0.77 -2.50 0.00 0.00 175.30 173.65 1ily h SER 30 N 8.21 0.26 0.00 -2.12 0.02 -1.93 -3.49 113.55 114.51 1ily h SER 30 Ca -0.15 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1ily h SER 30 Cb 1.11 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1ily h SER 30 CO 0.14 1.71 0.00 0.00 -1.14 0.00 0.00 176.83 177.54 1ily n LEU 31 N -3.88 0.00 -0.05 5.07 -0.00 -1.26 -4.93 117.00 111.96 1ily n LEU 31 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 1ily n LEU 31 Cb 0.90 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.33 1ily n LEU 31 CO 0.34 0.00 0.45 1.17 -0.00 0.00 0.00 177.39 179.35 1ily n LYS 32 N 0.00 2.05 -4.80 1.47 4.81 -1.26 -5.00 118.16 115.43 1ily n LYS 32 Ca 0.00 -1.30 -0.27 0.00 -0.87 0.00 0.00 58.31 55.87 1ily n LYS 32 Cb 0.00 -1.02 -0.17 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 1.17 0.00 0.00 177.40 177.56 1ily s HIS 33 N -0.77 1.79 -0.09 5.64 3.76 -1.26 -4.86 115.29 119.49 1ily s HIS 33 Ca 0.02 -0.66 0.04 0.00 -0.15 0.00 0.00 55.06 54.31 1ily s HIS 33 Cb 0.01 -1.25 -0.01 0.00 1.11 0.00 0.00 32.58 32.44 1ily s HIS 33 CO 0.01 -0.29 -0.21 -1.50 -0.85 0.00 0.00 174.74 171.90 1ily s ILE 34 N 0.46 2.35 -0.20 0.60 1.10 -1.26 -2.52 121.20 121.74 1ily s ILE 34 Ca -0.14 -0.93 -0.04 0.00 -0.51 0.00 0.00 60.65 59.03 1ily s ILE 34 Cb -0.16 -1.91 0.09 0.00 0.15 0.00 0.00 42.46 40.64 1ily s ILE 34 CO 0.05 0.56 0.24 -0.31 -2.11 0.00 0.00 174.94 173.36 1ily s TYR 35 N 0.12 -0.34 -0.24 3.50 1.51 0.11 -3.45 117.35 118.57 1ily s TYR 35 Ca -0.11 0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 1ily s TYR 35 Cb -0.16 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1ily s TYR 35 CO 0.06 -0.59 0.33 0.00 -1.11 0.00 0.00 175.55 174.25 1ily s ALA 36 N 2.35 3.57 -0.29 3.71 0.00 -0.70 0.47 121.76 130.88 1ily s ALA 36 Ca 0.07 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1ily s ALA 36 Cb -0.15 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1ily s ALA 36 CO -0.12 -0.44 0.02 -1.14 0.00 0.00 0.00 175.76 174.08 1ily s GLN 37 N 1.59 2.80 -0.63 0.00 2.00 0.18 -2.02 119.66 123.59 1ily s GLN 37 Ca 0.15 -1.03 -0.18 0.00 -2.00 0.00 0.00 55.36 52.30 1ily s GLN 37 Cb -0.15 -3.21 0.13 0.00 0.80 0.00 0.00 33.01 30.57 1ily s GLN 37 CO 0.08 -0.50 0.69 0.42 -0.50 0.00 0.00 175.29 175.48 1ily s ILE 38 N 1.38 5.00 0.30 -2.34 -1.09 0.15 -0.37 121.20 124.22 1ily s ILE 38 Ca -0.00 -1.33 0.05 0.00 -2.23 0.00 0.00 60.65 57.14 1ily s ILE 38 Cb -0.18 -4.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.21 1ily s ILE 38 CO -0.01 -1.08 0.43 -0.63 -1.23 0.00 0.00 174.94 172.43 1ily s ILE 39 N 2.12 4.64 -0.37 2.92 1.09 -0.15 -1.86 121.20 129.60 1ily s ILE 39 Ca 0.11 -0.95 -0.19 0.00 -1.10 0.00 0.00 60.65 58.53 1ily s ILE 39 Cb -0.23 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1ily s ILE 39 CO 0.03 -0.26 0.54 -0.62 -0.10 0.00 0.00 174.94 174.52 1ily s ASP 40 N -4.08 6.32 -0.21 3.58 -1.08 0.25 0.32 116.67 121.77 1ily s ASP 40 Ca 0.40 -0.09 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 1ily s ASP 40 Cb -0.09 -2.28 0.43 0.00 -1.46 0.00 0.00 42.92 39.52 1ily s ASP 40 CO 0.31 -0.53 1.42 -0.67 0.52 0.00 0.00 175.17 176.21 1ily n ASP 41 N 5.82 3.59 -0.07 -0.34 2.03 -1.25 -2.52 116.55 123.81 1ily n ASP 41 Ca -0.04 -2.79 -0.15 0.00 0.52 0.00 0.00 54.79 52.33 1ily n ASP 41 Cb 0.49 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.13 0.32 -3.80 -0.67 2.13 -1.26 -4.88 120.64 112.34 1ily n GLU 42 Ca 0.28 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.98 1ily n GLU 42 Cb 1.04 -1.07 -0.17 0.00 0.27 0.00 0.00 31.44 31.51 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 -2.27 0.85 -0.94 5.31 3.01 -1.24 -5.04 119.74 119.41 1ily s LYS 43 Ca -0.20 -0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.56 1ily s LYS 43 Cb 0.07 -1.33 -0.30 0.00 -1.01 0.00 0.00 37.83 35.26 1ily s LYS 43 CO 0.27 -0.36 2.18 0.41 0.51 0.00 0.00 175.35 178.36 1ily n GLY 44 N 5.08 -0.42 2.65 -3.33 0.00 -1.22 -4.47 105.19 103.48 1ily n GLY 44 Ca -0.09 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 2.85 0.03 -0.10 1.61 1.01 -1.05 -4.95 120.40 119.80 1ily s VAL 45 Ca 1.22 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1ily s VAL 45 Cb -0.69 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ily s VAL 45 CO 0.47 -0.15 1.26 -0.89 0.00 0.00 0.00 175.10 175.79 1ily s THR 46 N 2.09 4.21 -0.07 3.92 2.01 -1.26 0.88 115.64 127.43 1ily s THR 46 Ca 0.02 1.51 -0.08 0.00 0.31 0.00 0.00 61.69 63.45 1ily s THR 46 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1ily s THR 46 CO -0.07 -0.07 -0.16 0.18 -0.69 0.00 0.00 174.62 173.81 1ily n LEU 47 N 5.94 1.02 -4.41 4.42 4.32 -0.78 -4.93 117.00 122.58 1ily n LEU 47 Ca 0.13 0.17 -0.31 0.00 -0.02 0.00 0.00 56.01 55.98 1ily n LEU 47 Cb 0.45 -0.54 -0.13 0.00 -1.62 0.00 0.00 43.42 41.58 1ily n LEU 47 CO 0.56 -0.43 -0.52 -0.69 -1.22 0.00 0.00 177.39 175.09 1ily s VAL 48 N -1.99 2.56 -0.16 4.08 1.01 -0.96 -5.00 120.40 119.93 1ily s VAL 48 Ca -0.13 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 1ily s VAL 48 Cb 0.02 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.42 1ily s VAL 48 CO 0.19 0.37 0.36 -0.94 0.00 0.00 0.00 175.10 175.09 1ily s SER 49 N -1.30 -0.25 0.17 3.32 1.04 -1.26 0.31 113.70 115.73 1ily s SER 49 Ca 0.13 0.82 0.05 0.00 0.48 0.00 0.00 55.95 57.43 1ily s SER 49 Cb -0.10 0.88 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 1ily s SER 49 CO 0.04 -0.21 -0.09 0.00 0.98 0.00 0.00 173.24 173.96 1ily s ALA 50 N 1.94 1.56 -0.11 5.32 0.00 -0.85 -4.99 121.76 124.62 1ily s ALA 50 Ca -0.05 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 1ily s ALA 50 Cb -0.10 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1ily s ALA 50 CO -0.11 -0.11 0.24 -1.54 0.00 0.00 0.00 175.76 174.24 1ily s SER 51 N -3.20 -0.01 0.11 0.00 1.04 -1.26 -1.72 113.70 108.66 1ily s SER 51 Ca 0.19 0.52 -0.23 0.00 0.48 0.00 0.00 55.95 56.91 1ily s SER 51 Cb 0.03 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.52 1ily s SER 51 CO 0.02 -0.19 1.70 -1.28 0.98 0.00 0.00 173.24 174.47 1ily h SER 52 N 7.60 -0.26 0.05 7.02 0.87 -1.93 -0.88 113.55 126.03 1ily h SER 52 Ca -0.31 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1ily h SER 52 Cb 1.14 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1ily h SER 52 CO 0.29 -0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 1ily n LEU 53 N -5.21 0.03 -0.09 2.23 -0.00 -1.26 -2.45 117.00 110.24 1ily n LEU 53 Ca -0.06 0.51 -0.17 0.00 -0.00 0.00 0.00 56.01 56.29 1ily n LEU 53 Cb 0.14 -0.51 -0.11 0.00 -0.00 0.00 0.00 43.42 42.93 1ily n LEU 53 CO 0.29 -0.49 -0.08 0.00 -0.00 0.00 0.00 177.39 177.11 1ily h ALA 54 N 2.05 0.12 -0.97 1.47 0.00 -1.35 -3.35 119.26 117.23 1ily h ALA 54 Ca 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 54.91 54.26 1ily h ALA 54 Cb 0.03 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 54 CO 0.00 0.35 0.61 -0.07 0.00 0.00 0.00 179.25 180.14 1ily h LEU 55 N -1.00 0.73 0.00 0.00 4.07 -1.26 -3.43 115.31 114.42 1ily h LEU 55 Ca -0.16 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1ily h LEU 55 Cb 1.09 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1ily h LEU 55 CO -0.10 0.32 0.00 2.29 -1.08 0.00 0.00 178.44 179.87 1ily n LYS 56 N -4.65 0.00 -1.54 1.13 2.85 -1.22 -5.14 118.16 109.59 1ily n LYS 56 Ca 0.21 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 57.02 1ily n LYS 56 Cb 0.53 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.89 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 1.08 0.00 -5.58 4.77 -1.14 -4.90 117.00 111.23 1ily n LEU 57 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1ily n LEU 57 Cb 0.00 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1ily n LEU 57 CO 0.00 -1.82 -0.20 2.29 -1.33 0.00 0.00 177.39 176.33 1ily n LYS 58 N 0.75 0.00 -0.05 3.23 2.85 -1.26 -4.22 118.16 119.46 1ily n LYS 58 Ca 0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.28 1ily n LYS 58 Cb 0.31 -0.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.99 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ily n GLY 59 N 2.28 -0.15 3.08 2.58 0.00 -1.26 -5.06 105.19 106.66 1ily n GLY 59 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.29 -3.09 0.03 1.61 4.13 -1.26 -5.01 115.26 108.39 1ily n ASN 60 Ca -0.18 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1ily n ASN 60 Cb 0.64 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1ily n ASN 60 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1ily n LYS 61 N -2.38 0.00 -0.77 3.52 2.85 -1.26 -4.92 118.16 115.20 1ily n LYS 61 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 1ily n LYS 61 Cb 0.42 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 34.95 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 -2.68 2.33 -0.11 0.58 -2.24 -1.26 -3.81 114.28 107.09 1ily n THR 62 Ca 0.00 -1.19 -0.19 0.00 -2.27 0.00 0.00 64.05 60.40 1ily n THR 62 Cb 0.00 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 1ily n THR 62 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ily n GLU 63 N -0.38 0.54 0.02 -0.78 2.13 -1.26 -4.53 120.64 116.39 1ily n GLU 63 Ca 0.35 0.43 0.11 0.00 0.66 0.00 0.00 57.16 58.72 1ily n GLU 63 Cb 1.20 -1.62 0.03 0.00 0.27 0.00 0.00 31.44 31.31 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ily n VAL 64 N -4.42 0.16 -0.17 6.31 0.31 -1.26 -4.50 118.33 114.76 1ily n VAL 64 Ca -0.31 -0.23 0.11 0.00 -0.01 0.00 0.00 64.34 63.90 1ily n VAL 64 Cb 0.63 0.23 0.20 0.00 -0.91 0.00 0.00 33.84 34.00 1ily n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ily n ALA 65 N -1.80 0.35 0.33 3.52 0.00 -1.25 0.14 120.51 121.80 1ily n ALA 65 Ca 0.02 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 1ily n ALA 65 Cb 0.43 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.85 -0.69 0.00 2.43 -1.72 0.24 114.38 113.78 1ily h ARG 66 Ca 0.35 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.77 1ily h ARG 66 Cb 0.81 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1ily h ARG 66 CO -0.44 -0.57 0.74 1.96 -1.51 0.00 0.00 179.97 180.16 1ily h GLN 67 N -1.14 0.00 0.04 0.20 7.50 0.92 2.22 115.11 124.85 1ily h GLN 67 Ca -0.09 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.81 1ily h GLN 67 Cb 0.68 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.21 1ily h GLN 67 CO 0.15 0.00 -1.04 -0.24 -1.50 0.00 0.00 178.83 176.20 1ily h VAL 68 N 0.00 1.40 0.00 -0.54 3.04 0.64 -2.27 116.25 118.52 1ily h VAL 68 Ca 0.33 -2.54 -0.12 0.00 -1.01 0.00 0.00 66.70 63.35 1ily h VAL 68 Cb 1.80 2.54 -0.02 0.00 -2.01 0.00 0.00 31.29 33.61 1ily h VAL 68 CO -0.00 0.76 -0.57 1.23 -1.01 0.00 0.00 177.57 177.98 1ily h GLY 69 N 1.13 0.00 1.44 3.17 0.00 0.55 0.12 103.07 109.48 1ily h GLY 69 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1ily h GLY 69 CO 0.18 0.00 -0.45 0.07 0.00 0.00 0.00 176.54 176.35 1ily h ARG 70 N 0.00 0.61 -0.18 4.80 0.11 -0.10 0.93 114.38 120.56 1ily h ARG 70 Ca -0.01 -0.33 -0.19 0.00 0.10 0.00 0.00 59.98 59.55 1ily h ARG 70 Cb 1.13 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1ily h ARG 70 CO 0.07 0.93 -0.65 0.00 0.10 0.00 0.00 179.97 180.43 1ily h ALA 71 N 1.02 0.52 -0.24 0.08 0.00 -1.14 0.63 119.26 120.13 1ily h ALA 71 Ca 0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1ily h ALA 71 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ily h ALA 71 CO 0.09 0.70 -0.04 -0.07 0.00 0.00 0.00 179.25 179.93 1ily h LEU 72 N 0.48 0.45 -0.85 0.00 3.38 -0.44 0.47 115.31 118.81 1ily h LEU 72 Ca -0.02 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1ily h LEU 72 Cb 1.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1ily h LEU 72 CO 0.13 0.70 -0.48 0.00 0.09 0.00 0.00 178.44 178.88 1ily h ALA 73 N 0.77 0.99 0.00 1.53 0.00 0.86 0.42 119.26 123.83 1ily h ALA 73 Ca 0.06 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1ily h ALA 73 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ily h ALA 73 CO 0.02 0.60 -0.89 0.93 0.00 0.00 0.00 179.25 179.91 1ily h GLU 74 N 0.00 0.00 0.03 0.00 5.08 0.50 -1.63 114.58 118.56 1ily h GLU 74 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ily h GLU 74 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ily h GLU 74 CO 0.06 0.89 -0.01 0.87 -1.00 0.00 0.00 179.01 179.82 1ily h LYS 75 N 0.00 -0.04 -0.91 2.33 1.57 0.42 -2.81 116.57 117.14 1ily h LYS 75 Ca -0.01 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.02 1ily h LYS 75 Cb 1.61 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.79 1ily h LYS 75 CO 0.12 -0.02 0.32 0.00 -0.57 0.00 0.00 179.45 179.29 1ily h ALA 76 N -1.93 1.42 -0.99 3.86 0.00 -0.30 0.85 119.26 122.17 1ily h ALA 76 Ca -0.00 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1ily h ALA 76 Cb 0.03 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1ily h ALA 76 CO 0.01 -0.47 0.63 -0.07 0.00 0.00 0.00 179.25 179.35 1ily h LEU 77 N 0.25 0.96 -1.96 0.00 3.38 -1.39 0.66 115.31 117.21 1ily h LEU 77 Ca 0.59 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ily h LEU 77 CO -0.63 0.55 0.43 0.00 0.09 0.00 0.00 178.44 178.88 1ily h ALA 78 N 1.51 1.95 0.00 1.53 0.00 0.10 0.95 119.26 125.30 1ily h ALA 78 Ca 0.46 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.09 1ily h ALA 78 Cb 0.36 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1ily h ALA 78 CO -0.22 -0.59 -1.63 -0.07 0.00 0.00 0.00 179.25 176.73 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.88 -3.48 115.31 114.33 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 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ily h LEU 79 CO -0.00 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1ily n GLY 80 N 1.52 1.53 3.58 0.83 0.00 0.33 -5.07 105.19 107.92 1ily n GLY 80 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 3.84 -0.25 -0.61 1.09 -0.96 -4.83 121.20 117.48 1ily s ILE 81 Ca 0.00 0.78 -0.14 0.00 -1.10 0.00 0.00 60.65 60.19 1ily s ILE 81 Cb 0.00 -4.36 -0.15 0.00 -1.06 0.00 0.00 42.46 36.89 1ily s ILE 81 CO 0.00 -1.02 -0.17 1.17 -0.10 0.00 0.00 174.94 174.82 1ily n LYS 82 N 8.43 0.60 -4.96 2.79 4.81 -1.26 -4.14 118.16 124.42 1ily n LYS 82 Ca 0.14 0.33 -0.32 0.00 -0.87 0.00 0.00 58.31 57.58 1ily n LYS 82 Cb 0.49 -1.57 -0.16 0.00 0.02 0.00 0.00 35.03 33.81 1ily n LYS 82 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ily s GLN 83 N -2.48 3.21 0.32 1.64 0.74 -1.26 0.11 119.66 121.95 1ily s GLN 83 Ca -0.35 -0.78 0.10 0.00 0.05 0.00 0.00 55.36 54.37 1ily s GLN 83 Cb 0.12 -2.47 -0.05 0.00 1.10 0.00 0.00 33.01 31.70 1ily s GLN 83 CO 0.54 0.18 -0.04 0.08 -0.55 0.00 0.00 175.29 175.50 1ily s VAL 84 N 0.39 2.63 -0.39 1.34 1.01 -0.35 -3.97 120.40 121.05 1ily s VAL 84 Ca -0.14 -2.07 -0.08 0.00 0.00 0.00 0.00 61.98 59.69 1ily s VAL 84 Cb -0.17 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1ily s VAL 84 CO 0.07 -0.25 0.20 0.00 0.00 0.00 0.00 175.10 175.12 1ily s ALA 85 N -2.51 3.19 -0.39 5.51 0.00 0.14 -3.90 121.76 123.81 1ily s ALA 85 Ca 0.33 -2.06 -0.28 0.00 0.00 0.00 0.00 51.96 49.95 1ily s ALA 85 Cb -0.01 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1ily s ALA 85 CO 0.18 -1.56 1.04 0.12 0.00 0.00 0.00 175.76 175.54 1ily s PHE 86 N 1.39 3.02 -0.30 0.00 5.36 -1.26 0.20 117.98 126.38 1ily s PHE 86 Ca 0.02 0.89 0.17 0.00 -0.96 0.00 0.00 56.93 57.05 1ily s PHE 86 Cb -0.22 -3.91 0.48 0.00 -0.34 0.00 0.00 43.02 39.03 1ily s PHE 86 CO 0.02 -0.95 1.07 -3.47 -1.46 0.00 0.00 175.22 170.43 1ily n ASP 87 N 7.13 2.41 -0.34 6.13 -0.08 -1.13 -4.93 116.55 125.74 1ily n ASP 87 Ca 0.10 -2.71 0.10 0.00 -1.51 0.00 0.00 54.79 50.78 1ily n ASP 87 Cb 0.48 -0.47 0.22 0.00 2.34 0.00 0.00 41.12 43.69 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 2.66 0.01 0.00 -0.67 0.11 -1.90 -3.47 114.38 111.12 1ily h ARG 88 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ily h ARG 88 Cb 1.24 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1ily h ARG 88 CO 0.45 0.01 0.00 0.41 0.10 0.00 0.00 179.97 180.94 1ily n GLY 89 N -1.54 0.87 0.01 0.08 0.00 -1.26 -4.64 105.19 98.71 1ily n GLY 89 Ca 0.20 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 0.04 -1.70 1.61 -0.04 -1.26 -4.88 135.00 128.77 1ily n PRO 90 Ca 0.00 0.03 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 1ily n PRO 90 Cb 0.00 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 1ily n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ily n TYR 91 N -1.60 2.50 -4.38 0.54 4.02 -1.26 -5.00 117.16 111.97 1ily n TYR 91 Ca 0.07 0.26 -0.27 0.00 -0.01 0.00 0.00 57.90 57.95 1ily n TYR 91 Cb 0.35 -2.56 -0.11 0.00 -0.02 0.00 0.00 39.34 37.00 1ily n TYR 91 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ily s LYS 92 N 0.23 1.72 -0.48 -0.72 2.47 -1.26 -4.99 119.74 116.72 1ily s LYS 92 Ca 0.71 -1.46 -0.39 0.00 -1.56 0.00 0.00 55.97 53.28 1ily s LYS 92 Cb -0.59 -1.95 -0.16 0.00 -1.46 0.00 0.00 37.83 33.68 1ily s LYS 92 CO 0.43 0.40 2.22 0.98 0.16 0.00 0.00 175.35 179.54 1ily n TYR 93 N 0.09 1.30 0.00 4.03 9.36 -1.26 -4.84 117.16 125.84 1ily n TYR 93 Ca -0.11 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1ily n TYR 93 Cb 0.56 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 1ily n TYR 93 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ily n HIS 94 N 9.03 0.00 0.00 2.98 -0.00 -1.26 -5.08 115.22 120.89 1ily n HIS 94 Ca 0.50 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1ily n HIS 94 Cb 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 1ily n HIS 94 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ily n GLY 95 N 5.00 0.78 0.01 1.57 0.00 -1.26 -4.78 105.19 106.50 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 -1.51 1.61 2.47 -1.96 -3.38 114.38 111.61 1ily h ARG 96 Ca 0.00 0.00 0.44 0.00 -1.26 0.00 0.00 59.98 59.16 1ily h ARG 96 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 1ily h ARG 96 CO 0.00 0.00 1.27 0.28 0.56 0.00 0.00 179.97 182.08 1ily n VAL 97 N -2.48 0.00 0.00 2.04 0.31 -1.26 -1.69 118.33 115.24 1ily n VAL 97 Ca -0.01 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 1ily n VAL 97 Cb 0.03 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.70 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 -3.53 0.00 -0.35 5.55 4.01 -1.26 0.79 118.16 123.37 1ily n LYS 98 Ca 0.34 0.00 0.24 0.00 -0.51 0.00 0.00 58.31 58.38 1ily n LYS 98 Cb 1.72 -0.73 0.48 0.00 -0.51 0.00 0.00 35.03 36.00 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 -2.00 2.06 -0.17 7.82 0.00 -1.64 0.37 119.26 125.70 1ily h ALA 99 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ily h ALA 99 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ily h ALA 99 CO 0.00 -0.62 -0.06 1.25 0.00 0.00 0.00 179.25 179.82 1ily h LEU 100 N 0.36 0.35 -1.33 0.00 6.46 -1.34 -1.86 115.31 117.94 1ily h LEU 100 Ca 0.71 -0.39 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 1ily h LEU 100 Cb 1.67 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.49 1ily h LEU 100 CO -0.51 0.66 -0.06 0.00 -0.62 0.00 0.00 178.44 177.91 1ily h ALA 101 N 0.70 1.45 -0.24 1.25 0.00 0.42 -0.89 119.26 121.96 1ily h ALA 101 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ily h ALA 101 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ily h ALA 101 CO 0.02 0.38 -0.06 0.93 0.00 0.00 0.00 179.25 180.53 1ily h GLU 102 N 0.36 0.46 -0.30 0.00 5.08 -0.58 0.51 114.58 120.11 1ily h GLU 102 Ca 0.08 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1ily h GLU 102 Cb 0.33 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1ily h GLU 102 CO 0.01 0.69 -0.42 0.78 -1.00 0.00 0.00 179.01 179.07 1ily h GLY 103 N 0.19 -0.60 1.58 -3.84 0.00 -0.64 8.76 103.07 108.51 1ily h GLY 103 Ca 0.06 0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 1ily h GLY 103 CO 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.45 1ily h ALA 104 N 0.32 1.47 0.00 3.60 0.00 0.31 0.90 119.26 125.86 1ily h ALA 104 Ca 0.11 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ily h ALA 104 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ily h ALA 104 CO -0.50 0.39 -1.46 -2.13 0.00 0.00 0.00 179.25 175.56 1ily n ARG 105 N -4.34 0.62 0.08 0.00 3.00 0.18 0.37 116.66 116.58 1ily n ARG 105 Ca 0.02 0.24 -0.09 0.00 -0.00 0.00 0.00 57.85 58.02 1ily n ARG 105 Cb 0.19 -1.81 -0.06 0.00 0.00 0.00 0.00 32.46 30.78 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 0.13 -0.02 -0.14 4.11 1.91 -3.31 114.58 117.27 1ily h GLU 106 Ca -0.18 -0.18 -0.12 0.00 0.07 0.00 0.00 59.36 58.95 1ily h GLU 106 Cb 1.65 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.97 1ily h GLU 106 CO 0.05 1.01 -0.45 0.78 0.07 0.00 0.00 179.01 180.47 1ily h GLY 107 N 2.20 0.37 0.00 1.06 0.00 0.73 -3.48 103.07 103.95 1ily h GLY 107 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1ily h GLY 107 CO 0.14 0.55 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1ily n GLY 108 N 0.99 0.02 3.77 4.60 0.00 -1.10 -4.75 105.19 108.73 1ily n GLY 108 Ca -0.10 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 4.06 -0.41 0.99 1.02 0.16 -4.60 118.68 119.90 1ily s LEU 109 Ca 0.00 2.23 0.02 0.00 0.02 0.00 0.00 54.13 56.40 1ily s LEU 109 Cb 0.00 -4.21 0.12 0.00 0.02 0.00 0.00 46.19 42.12 1ily s LEU 109 CO 0.00 -0.78 0.19 -1.61 0.02 0.00 0.00 176.35 174.17 1ily s GLU 110 N -2.62 1.25 0.00 1.70 8.01 0.31 -3.41 118.70 123.94 1ily s GLU 110 Ca 0.62 -1.84 0.02 0.00 0.01 0.00 0.00 54.97 53.77 1ily s GLU 110 Cb -0.27 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.12 1ily s GLU 110 CO 0.33 -1.09 0.55 1.97 0.01 0.00 0.00 175.26 177.03