#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 3.58 -0.22 6.15 1.43 -1.26 0.30 118.68 128.66 1ily s LEU 23 Ca 0.00 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1ily s LEU 23 Cb 0.00 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1ily s LEU 23 CO 0.00 0.33 0.13 -0.60 0.23 0.00 0.00 176.35 176.44 1ily s ARG 24 N -0.59 4.04 0.11 1.70 3.52 0.16 -0.49 118.95 127.40 1ily s ARG 24 Ca 0.10 -0.29 -0.17 0.00 -0.13 0.00 0.00 55.73 55.24 1ily s ARG 24 Cb -0.12 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.77 1ily s ARG 24 CO 0.02 0.13 0.56 -1.17 -0.81 0.00 0.00 175.30 174.03 1ily s LEU 25 N 0.84 4.43 -0.22 -0.88 0.20 0.13 -0.55 118.68 122.62 1ily s LEU 25 Ca 0.06 1.17 -0.03 0.00 0.69 0.00 0.00 54.13 56.03 1ily s LEU 25 Cb -0.13 -3.09 0.11 0.00 -0.43 0.00 0.00 46.19 42.64 1ily s LEU 25 CO 0.02 0.18 0.26 -0.44 -0.29 0.00 0.00 176.35 176.09 1ily s SER 26 N -1.42 1.23 -0.31 3.68 0.01 0.69 -2.42 113.70 115.15 1ily s SER 26 Ca 0.34 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.23 1ily s SER 26 Cb -0.17 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 1ily s SER 26 CO 0.19 -0.33 0.36 0.54 0.41 0.00 0.00 173.24 174.41 1ily s VAL 27 N 2.37 5.17 -0.14 3.43 0.11 -1.26 0.54 120.40 130.62 1ily s VAL 27 Ca 0.08 0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1ily s VAL 27 Cb -0.15 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1ily s VAL 27 CO -0.16 0.01 0.14 0.12 -3.33 0.00 0.00 175.10 171.88 1ily s PHE 28 N 2.03 3.55 -0.10 1.54 5.36 0.22 -4.90 117.98 125.69 1ily s PHE 28 Ca 0.13 0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 56.54 1ily s PHE 28 Cb -0.16 -2.00 0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1ily s PHE 28 CO 0.11 0.61 0.16 0.50 -1.46 0.00 0.00 175.22 175.15 1ily s ARG 29 N -0.64 0.04 0.00 10.12 3.00 -1.26 0.17 118.95 130.38 1ily s ARG 29 Ca 0.13 0.51 0.00 0.00 -1.00 0.00 0.00 55.73 55.37 1ily s ARG 29 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 34.95 34.42 1ily s ARG 29 CO 0.02 -0.35 0.00 0.45 0.00 0.00 0.00 175.30 175.42 1ily n SER 30 N 5.32 0.00 0.04 -2.12 2.88 -1.11 -5.00 113.62 113.64 1ily n SER 30 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1ily n SER 30 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1ily n SER 30 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ily n LEU 31 N -0.91 0.29 -0.12 2.46 -0.00 -1.26 -4.89 117.00 112.58 1ily n LEU 31 Ca 0.00 0.13 0.07 0.00 -0.00 0.00 0.00 56.01 56.21 1ily n LEU 31 Cb 0.00 -0.03 0.12 0.00 -0.00 0.00 0.00 43.42 43.51 1ily n LEU 31 CO 0.00 -0.63 0.56 0.29 -0.00 0.00 0.00 177.39 177.62 1ily n LYS 32 N -2.96 1.82 -5.07 1.96 5.02 -1.26 -5.02 118.16 112.66 1ily n LYS 32 Ca 0.00 -2.34 -0.32 0.00 -2.02 0.00 0.00 58.31 53.64 1ily n LYS 32 Cb 0.00 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.40 2.52 -0.07 2.13 3.76 -1.26 -4.93 115.29 115.03 1ily s HIS 33 Ca 0.25 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 1ily s HIS 33 Cb 0.22 -1.56 0.01 0.00 1.11 0.00 0.00 32.58 32.36 1ily s HIS 33 CO 0.03 0.09 -0.13 -1.50 -0.85 0.00 0.00 174.74 172.38 1ily s ILE 34 N -0.69 1.21 -0.18 0.60 1.10 -1.26 -2.74 121.20 119.25 1ily s ILE 34 Ca 0.11 -0.52 -0.04 0.00 -0.51 0.00 0.00 60.65 59.69 1ily s ILE 34 Cb -0.10 -1.11 0.08 0.00 0.15 0.00 0.00 42.46 41.48 1ily s ILE 34 CO 0.00 0.37 0.21 -0.31 -2.11 0.00 0.00 174.94 173.11 1ily s TYR 35 N 0.69 -0.26 -0.25 3.50 1.51 0.13 -3.23 117.35 119.44 1ily s TYR 35 Ca -0.14 0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 56.07 1ily s TYR 35 Cb -0.16 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.33 1ily s TYR 35 CO 0.04 -0.54 0.47 0.00 -1.11 0.00 0.00 175.55 174.41 1ily s ALA 36 N 2.32 3.58 -0.30 3.71 0.00 -0.59 0.73 121.76 131.21 1ily s ALA 36 Ca 0.06 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1ily s ALA 36 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1ily s ALA 36 CO -0.11 -0.65 0.05 -1.14 0.00 0.00 0.00 175.76 173.91 1ily s GLN 37 N 2.09 2.83 -0.54 0.00 2.00 0.19 -2.10 119.66 124.14 1ily s GLN 37 Ca 0.20 -1.02 -0.18 0.00 -2.00 0.00 0.00 55.36 52.36 1ily s GLN 37 Cb -0.16 -3.29 0.09 0.00 0.80 0.00 0.00 33.01 30.45 1ily s GLN 37 CO 0.09 -0.52 0.58 0.42 -0.50 0.00 0.00 175.29 175.37 1ily s ILE 38 N 1.41 4.99 0.28 -2.34 -1.09 0.16 -0.22 121.20 124.39 1ily s ILE 38 Ca -0.00 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.47 1ily s ILE 38 Cb -0.18 -4.34 -0.02 0.00 -1.58 0.00 0.00 42.46 36.33 1ily s ILE 38 CO 0.01 -0.89 0.42 -0.63 -1.23 0.00 0.00 174.94 172.61 1ily s ILE 39 N 2.24 4.92 -0.30 2.92 1.09 0.28 -1.69 121.20 130.67 1ily s ILE 39 Ca 0.09 -0.92 -0.18 0.00 -1.10 0.00 0.00 60.65 58.54 1ily s ILE 39 Cb -0.24 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1ily s ILE 39 CO 0.07 -0.31 0.54 -0.62 -0.10 0.00 0.00 174.94 174.52 1ily s ASP 40 N -4.04 6.41 -0.18 3.58 -1.08 0.25 0.36 116.67 121.97 1ily s ASP 40 Ca 0.38 0.33 0.07 0.00 -0.52 0.00 0.00 52.55 52.80 1ily s ASP 40 Cb -0.09 -2.29 0.47 0.00 -1.46 0.00 0.00 42.92 39.55 1ily s ASP 40 CO 0.31 -0.39 1.33 -0.67 0.52 0.00 0.00 175.17 176.27 1ily n ASP 41 N 5.68 3.75 -0.09 -0.34 2.03 0.15 -2.52 116.55 125.21 1ily n ASP 41 Ca -0.04 -2.67 -0.17 0.00 0.52 0.00 0.00 54.79 52.43 1ily n ASP 41 Cb 0.49 -0.64 -0.07 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 0.14 0.39 -3.75 -0.67 2.13 -1.17 -4.59 120.64 113.12 1ily n GLU 42 Ca 0.22 0.15 -0.23 0.00 0.66 0.00 0.00 57.16 57.95 1ily n GLU 42 Cb 0.93 -1.18 -0.17 0.00 0.27 0.00 0.00 31.44 31.28 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 -2.33 0.52 -0.96 5.31 3.01 -1.24 -5.05 119.74 119.01 1ily s LYS 43 Ca -0.24 0.05 -0.13 0.00 -1.01 0.00 0.00 55.97 54.64 1ily s LYS 43 Cb 0.09 -1.13 -0.30 0.00 -1.01 0.00 0.00 37.83 35.48 1ily s LYS 43 CO 0.33 -0.37 2.22 0.41 0.51 0.00 0.00 175.35 178.45 1ily n GLY 44 N 5.16 -0.43 2.67 -3.33 0.00 -1.20 -4.42 105.19 103.65 1ily n GLY 44 Ca -0.07 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 3.29 0.14 -0.22 1.61 1.01 -1.05 -4.93 120.40 120.25 1ily s VAL 45 Ca 1.24 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 1ily s VAL 45 Cb -0.72 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1ily s VAL 45 CO 0.47 -0.13 1.40 -0.89 0.00 0.00 0.00 175.10 175.95 1ily s THR 46 N 2.04 4.02 -0.19 3.92 2.01 -1.26 0.87 115.64 127.05 1ily s THR 46 Ca 0.02 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.03 1ily s THR 46 Cb -0.15 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1ily s THR 46 CO -0.07 -0.31 -0.34 0.18 -0.69 0.00 0.00 174.62 173.39 1ily n LEU 47 N 7.52 1.94 -4.33 4.42 4.32 -0.68 -4.95 117.00 125.24 1ily n LEU 47 Ca 0.16 0.34 -0.31 0.00 -0.02 0.00 0.00 56.01 56.18 1ily n LEU 47 Cb 0.45 -0.76 -0.15 0.00 -1.62 0.00 0.00 43.42 41.35 1ily n LEU 47 CO 0.61 -0.15 -0.57 -0.69 -1.22 0.00 0.00 177.39 175.38 1ily s VAL 48 N -2.83 2.13 -0.21 4.08 1.01 -0.97 -5.00 120.40 118.62 1ily s VAL 48 Ca -0.30 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 1ily s VAL 48 Cb 0.06 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.75 1ily s VAL 48 CO 0.43 0.46 0.35 -0.94 0.00 0.00 0.00 175.10 175.41 1ily s SER 49 N -0.97 0.22 0.24 3.32 1.04 -1.26 0.35 113.70 116.64 1ily s SER 49 Ca 0.11 0.49 0.08 0.00 0.48 0.00 0.00 55.95 57.11 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 0.01 -0.27 -0.12 0.00 0.98 0.00 0.00 173.24 173.84 1ily s ALA 50 N 2.52 2.25 -0.06 5.32 0.00 -0.89 -4.97 121.76 125.93 1ily s ALA 50 Ca 0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.19 1ily s ALA 50 Cb -0.14 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ily s ALA 50 CO -0.13 0.04 0.14 -1.54 0.00 0.00 0.00 175.76 174.27 1ily s SER 51 N -3.39 -0.14 0.42 0.00 1.04 -1.26 -1.54 113.70 108.83 1ily s SER 51 Ca 0.26 0.28 0.08 0.00 0.48 0.00 0.00 55.95 57.06 1ily s SER 51 Cb 0.00 0.26 0.89 0.00 0.10 0.00 0.00 66.02 67.27 1ily s SER 51 CO 0.10 -0.07 2.05 0.77 0.98 0.00 0.00 173.24 177.07 1ily h SER 52 N 6.26 0.45 0.49 7.02 4.64 -1.90 0.58 113.55 131.09 1ily h SER 52 Ca -0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ily h SER 52 Cb 1.19 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ily h SER 52 CO 0.42 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1ily n LEU 53 N -4.48 0.00 -0.05 5.97 -0.00 -1.26 -1.98 117.00 115.20 1ily n LEU 53 Ca 0.04 0.39 -0.01 0.00 -0.00 0.00 0.00 56.01 56.43 1ily n LEU 53 Cb 0.10 -0.39 -0.00 0.00 -0.00 0.00 0.00 43.42 43.13 1ily n LEU 53 CO 0.35 -0.14 -0.05 0.00 -0.00 0.00 0.00 177.39 177.55 1ily h ALA 54 N 2.78 0.00 -0.91 1.47 0.00 -1.10 -3.38 119.26 118.12 1ily h ALA 54 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1ily h ALA 54 Cb 0.25 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1ily h ALA 54 CO 0.00 0.07 0.51 -0.07 0.00 0.00 0.00 179.25 179.76 1ily h LEU 55 N -0.97 0.67 0.00 0.00 -0.00 -1.61 -3.44 115.31 109.96 1ily h LEU 55 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1ily h LEU 55 Cb 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1ily h LEU 55 CO 0.00 0.30 0.00 2.29 -0.00 0.00 0.00 178.44 181.03 1ily n LYS 56 N -4.79 0.00 -1.37 1.13 2.85 -1.23 -5.15 118.16 109.60 1ily n LYS 56 Ca 0.19 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 57.02 1ily n LYS 56 Cb 0.44 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.82 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 -1.55 0.04 -5.58 0.00 -0.84 -4.93 117.00 104.14 1ily n LEU 57 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 56.01 56.91 1ily n LEU 57 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1ily n LEU 57 CO 0.00 -3.52 -0.13 1.17 0.00 0.00 0.00 177.39 174.91 1ily n LYS 58 N 1.01 0.00 0.00 1.96 3.00 -1.26 -4.20 118.16 118.67 1ily n LYS 58 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1ily n LYS 58 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 2.16 0.00 3.26 3.14 0.00 -1.26 -5.02 105.19 107.47 1ily n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.58 -2.42 0.00 1.61 4.13 -1.26 -5.02 115.26 110.71 1ily n ASN 60 Ca 0.00 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1ily n ASN 60 Cb 0.09 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ily n LYS 61 N -1.73 0.00 -0.87 3.52 5.02 -1.26 -4.89 118.16 117.95 1ily n LYS 61 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 1ily n LYS 61 Cb 0.63 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.75 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ily n THR 62 N -0.51 2.61 -0.10 -0.18 -2.24 -1.26 -4.02 114.28 108.58 1ily n THR 62 Ca 0.00 -1.46 -0.16 0.00 -2.27 0.00 0.00 64.05 60.16 1ily n THR 62 Cb 0.00 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.50 0.53 0.05 -0.78 0.00 -1.26 -4.60 120.64 114.08 1ily n GLU 63 Ca 0.40 0.42 0.11 0.00 0.00 0.00 0.00 57.16 58.10 1ily n GLU 63 Cb 1.14 -1.62 -0.05 0.00 0.00 0.00 0.00 31.44 30.92 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ily n VAL 64 N -4.46 0.31 -0.30 6.31 0.31 -1.26 -4.40 118.33 114.84 1ily n VAL 64 Ca -0.25 -0.45 0.28 0.00 -0.01 0.00 0.00 64.34 63.90 1ily n VAL 64 Cb 0.56 -0.09 0.49 0.00 -0.91 0.00 0.00 33.84 33.89 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 -2.11 0.92 0.22 3.52 0.00 -1.26 0.13 120.51 121.93 1ily n ALA 65 Ca -0.01 0.75 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 1ily n ALA 65 Cb 0.53 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.59 -0.30 0.00 2.43 -1.68 -1.18 114.38 113.07 1ily h ARG 66 Ca 0.68 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.97 1ily h ARG 66 Cb 1.97 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 1ily h ARG 66 CO -0.50 -0.32 0.55 1.96 -1.51 0.00 0.00 179.97 180.15 1ily h GLN 67 N -1.09 0.00 0.12 0.20 4.20 0.74 1.61 115.11 120.88 1ily h GLN 67 Ca -0.06 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ily h GLN 67 CO 0.10 0.00 -1.22 -0.24 -0.67 0.00 0.00 178.83 176.80 1ily h VAL 68 N 0.00 1.52 0.01 -0.54 3.04 0.51 -2.27 116.25 118.52 1ily h VAL 68 Ca 0.14 -3.10 -0.21 0.00 -1.01 0.00 0.00 66.70 62.52 1ily h VAL 68 Cb 1.24 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 33.45 1ily h VAL 68 CO -0.00 0.90 -0.92 1.23 -1.01 0.00 0.00 177.57 177.77 1ily h GLY 69 N 1.71 0.25 0.99 3.17 0.00 0.33 -1.64 103.07 107.88 1ily h GLY 69 Ca -0.12 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 1ily h GLY 69 CO 0.20 0.41 -0.46 0.07 0.00 0.00 0.00 176.54 176.76 1ily h ARG 70 N 0.12 0.68 -0.48 4.80 -0.00 0.36 0.97 114.38 120.82 1ily h ARG 70 Ca -0.06 -0.45 -0.07 0.00 -0.00 0.00 0.00 59.98 59.41 1ily h ARG 70 Cb 1.57 0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 31.58 1ily h ARG 70 CO 0.14 1.07 0.03 0.00 -0.00 0.00 0.00 179.97 181.22 1ily h ALA 71 N 0.60 0.64 0.13 0.08 0.00 -1.46 0.36 119.26 119.61 1ily h ALA 71 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ily h ALA 71 Cb 1.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ily h ALA 71 CO 0.10 0.41 -0.06 1.25 0.00 0.00 0.00 179.25 180.94 1ily h LEU 72 N 0.68 -0.15 -2.15 0.00 5.85 -1.24 -1.15 115.31 117.15 1ily h LEU 72 Ca 0.14 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1ily h LEU 72 Cb 0.46 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ily h LEU 72 CO 0.02 0.13 0.26 0.00 -0.34 0.00 0.00 178.44 178.50 1ily h ALA 73 N 0.40 1.94 -0.15 1.25 0.00 0.10 1.05 119.26 123.85 1ily h ALA 73 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1ily h ALA 73 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ily h ALA 73 CO 0.03 -0.39 -0.61 1.49 0.00 0.00 0.00 179.25 179.77 1ily h GLU 74 N 0.00 0.52 0.22 0.00 4.81 0.59 -0.74 114.58 119.97 1ily h GLU 74 Ca 0.12 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1ily h GLU 74 Cb 0.64 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ily h GLU 74 CO -0.00 0.97 -0.11 0.87 -0.73 0.00 0.00 179.01 180.01 1ily h LYS 75 N 0.38 -0.29 -0.95 1.92 1.57 0.21 -2.01 116.57 117.40 1ily h LYS 75 Ca -0.00 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.08 1ily h LYS 75 Cb 1.16 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 1ily h LYS 75 CO 0.11 -0.19 0.42 0.00 -0.57 0.00 0.00 179.45 179.22 1ily h ALA 76 N -1.44 1.67 -0.87 3.86 0.00 -0.41 1.21 119.26 123.28 1ily h ALA 76 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ily h ALA 76 Cb 0.23 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ily h ALA 76 CO 0.05 -0.53 0.54 -0.07 0.00 0.00 0.00 179.25 179.24 1ily h LEU 77 N 0.27 1.03 -1.87 0.00 3.38 -1.17 -1.49 115.31 115.46 1ily h LEU 77 Ca 0.66 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.73 1ily h LEU 77 Cb 1.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1ily h LEU 77 CO -0.64 0.78 0.56 0.00 0.09 0.00 0.00 178.44 179.23 1ily h ALA 78 N 1.29 2.27 0.00 1.53 0.00 0.23 1.21 119.26 125.79 1ily h ALA 78 Ca 0.31 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1ily h ALA 78 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ily h ALA 78 CO -0.06 -0.82 -1.46 -0.07 0.00 0.00 0.00 179.25 176.84 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.23 -3.48 115.31 113.98 1ily h LEU 79 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ily h LEU 79 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1ily h LEU 79 CO -0.00 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1ily n GLY 80 N 1.44 1.30 3.57 0.83 0.00 0.42 -5.05 105.19 107.69 1ily n GLY 80 Ca -0.11 0.00 -0.39 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 3.22 -0.19 -0.61 1.09 -0.64 -4.79 121.20 117.28 1ily s ILE 81 Ca 0.00 0.17 -0.15 0.00 -1.10 0.00 0.00 60.65 59.57 1ily s ILE 81 Cb 0.00 -3.47 -0.10 0.00 -1.06 0.00 0.00 42.46 37.84 1ily s ILE 81 CO 0.00 -0.41 -0.10 1.17 -0.10 0.00 0.00 174.94 175.50 1ily n LYS 82 N 8.94 0.52 -4.66 2.79 4.81 -1.26 -4.19 118.16 125.10 1ily n LYS 82 Ca 0.27 0.46 -0.34 0.00 -0.87 0.00 0.00 58.31 57.84 1ily n LYS 82 Cb 0.51 -1.65 -0.12 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 -2.41 2.78 0.26 1.64 -0.21 -1.26 0.18 119.66 120.63 1ily s GLN 83 Ca -0.25 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 54.63 1ily s GLN 83 Cb 0.05 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 1ily s GLN 83 CO 0.40 0.62 -0.07 0.08 -2.12 0.00 0.00 175.29 174.20 1ily s VAL 84 N -0.70 1.59 -0.41 1.09 1.01 0.43 -4.30 120.40 119.11 1ily s VAL 84 Ca 0.11 -2.13 -0.09 0.00 0.00 0.00 0.00 61.98 59.87 1ily s VAL 84 Cb -0.11 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1ily s VAL 84 CO 0.01 -0.37 0.25 0.00 0.00 0.00 0.00 175.10 174.99 1ily s ALA 85 N -3.05 3.27 -0.39 5.51 0.00 0.35 -4.01 121.76 123.44 1ily s ALA 85 Ca 0.28 -2.14 -0.28 0.00 0.00 0.00 0.00 51.96 49.82 1ily s ALA 85 Cb 0.03 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1ily s ALA 85 CO 0.10 -1.64 1.04 0.12 0.00 0.00 0.00 175.76 175.39 1ily s PHE 86 N 1.41 3.01 -0.29 0.00 5.36 -1.26 0.23 117.98 126.44 1ily s PHE 86 Ca 0.03 0.88 0.19 0.00 -0.96 0.00 0.00 56.93 57.06 1ily s PHE 86 Cb -0.23 -3.93 0.48 0.00 -0.34 0.00 0.00 43.02 39.01 1ily s PHE 86 CO 0.02 -0.96 1.06 -3.47 -1.46 0.00 0.00 175.22 170.40 1ily n ASP 87 N 7.16 1.96 -0.62 6.13 2.03 -1.02 -4.93 116.55 127.28 1ily n ASP 87 Ca 0.10 -2.50 0.48 0.00 0.52 0.00 0.00 54.79 53.39 1ily n ASP 87 Cb 0.48 -0.49 0.77 0.00 -0.72 0.00 0.00 41.12 41.17 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1ily h ARG 88 N 2.72 0.01 0.00 -0.67 0.11 -1.90 -3.47 114.38 111.18 1ily h ARG 88 Ca -0.06 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 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 0.38 0.01 0.00 0.41 0.10 0.00 0.00 179.97 180.86 1ily n GLY 89 N -1.78 0.95 2.23 0.08 0.00 -1.26 -4.59 105.19 100.81 1ily n GLY 89 Ca 0.42 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1ily n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ily n PRO 90 N 0.94 1.82 -4.95 1.61 -0.02 -1.26 -4.84 135.00 128.29 1ily n PRO 90 Ca 0.00 -1.01 -0.31 0.00 -2.02 0.00 0.00 63.50 60.16 1ily n PRO 90 Cb 0.00 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ily s TYR 91 N 1.89 2.49 0.11 6.00 1.51 -1.26 -5.13 117.35 122.96 1ily s TYR 91 Ca 0.50 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 56.34 1ily s TYR 91 Cb 0.21 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1ily s TYR 91 CO -0.01 0.13 -0.15 0.21 -1.11 0.00 0.00 175.55 174.62 1ily s LYS 92 N -0.97 1.92 -0.58 -0.62 2.36 -1.26 -5.03 119.74 115.56 1ily s LYS 92 Ca 0.12 -1.11 -0.34 0.00 -2.55 0.00 0.00 55.97 52.08 1ily s LYS 92 Cb -0.10 -2.19 -0.15 0.00 -1.05 0.00 0.00 37.83 34.34 1ily s LYS 92 CO 0.02 0.49 2.35 0.98 1.55 0.00 0.00 175.35 180.74 1ily n TYR 93 N 0.79 1.20 -4.45 4.03 9.36 -1.26 -4.90 117.16 121.93 1ily n TYR 93 Ca -0.15 0.38 -0.22 0.00 3.32 0.00 0.00 57.90 61.23 1ily n TYR 93 Cb 0.52 -2.46 -0.10 0.00 -0.63 0.00 0.00 39.34 36.67 1ily n TYR 93 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ily s HIS 94 N 8.26 2.07 0.57 2.98 2.46 -1.26 -5.01 115.29 125.36 1ily s HIS 94 Ca 1.17 -0.61 0.34 0.00 0.47 0.00 0.00 55.06 56.44 1ily s HIS 94 Cb -0.99 -1.14 1.43 0.00 -0.13 0.00 0.00 32.58 31.75 1ily s HIS 94 CO 0.49 0.40 1.71 0.78 -2.47 0.00 0.00 174.74 175.65 1ily h GLY 95 N 2.24 0.00 0.00 1.59 0.00 -2.00 -2.27 103.07 102.63 1ily h GLY 95 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ily h GLY 95 CO 0.67 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.75 1ily n ARG 96 N -3.85 0.00 -0.37 4.80 5.12 -1.26 -2.84 116.66 118.26 1ily n ARG 96 Ca 0.22 0.48 0.35 0.00 -1.93 0.00 0.00 57.85 56.97 1ily n ARG 96 Cb 1.22 -1.26 0.61 0.00 -1.16 0.00 0.00 32.46 31.87 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 -1.95 -0.34 0.00 1.55 0.31 -0.89 0.81 118.33 117.81 1ily n VAL 97 Ca 0.00 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.22 1ily n VAL 97 Cb 0.00 -3.08 0.00 0.00 -0.91 0.00 0.00 33.84 29.85 1ily n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ily n LYS 98 N -4.98 0.00 -0.20 5.55 5.02 -0.96 0.68 118.16 123.25 1ily n LYS 98 Ca 0.38 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.88 1ily n LYS 98 Cb 1.37 -1.13 0.35 0.00 -0.02 0.00 0.00 35.03 35.60 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ily h ALA 99 N -2.00 1.72 -0.05 7.82 0.00 -1.23 -1.84 119.26 123.68 1ily h ALA 99 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ily h ALA 99 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ily h ALA 99 CO 0.00 0.14 -0.03 1.25 0.00 0.00 0.00 179.25 180.62 1ily h LEU 100 N 0.76 0.11 -1.90 0.00 6.46 0.36 -2.38 115.31 118.72 1ily h LEU 100 Ca 0.34 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1ily h LEU 100 Cb 0.34 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1ily h LEU 100 CO -0.12 0.51 0.07 0.00 -0.62 0.00 0.00 178.44 178.28 1ily h ALA 101 N 0.61 1.93 -0.16 1.25 0.00 0.68 -0.30 119.26 123.28 1ily h ALA 101 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ily h ALA 101 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ily h ALA 101 CO 0.01 0.06 -0.11 0.93 0.00 0.00 0.00 179.25 180.14 1ily h GLU 102 N 0.14 0.35 -0.24 0.00 5.08 -1.25 0.44 114.58 119.10 1ily h GLU 102 Ca 0.04 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ily h GLU 102 Cb -0.00 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1ily h GLU 102 CO -0.01 0.69 -0.49 0.78 -1.00 0.00 0.00 179.01 178.99 1ily h GLY 103 N 0.00 -0.85 1.23 -3.84 0.00 -0.67 9.14 103.07 108.08 1ily h GLY 103 Ca 0.03 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.97 1ily h GLY 103 CO 0.03 -0.19 0.47 0.00 0.00 0.00 0.00 176.54 176.85 1ily h ALA 104 N 0.02 1.39 0.00 3.60 0.00 0.45 1.07 119.26 125.79 1ily h ALA 104 Ca 0.08 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1ily h ALA 104 Cb 0.63 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1ily h ALA 104 CO -0.48 0.53 -1.39 -0.09 0.00 0.00 0.00 179.25 177.81 1ily h ARG 105 N 1.04 0.00 -0.08 0.00 9.65 0.14 0.43 114.38 125.55 1ily h ARG 105 Ca 0.27 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.94 1ily h ARG 105 Cb -0.06 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1ily h ARG 105 CO -0.05 0.63 -0.82 1.05 2.80 0.00 0.00 179.97 183.58 1ily h GLU 106 N 0.00 0.59 -0.17 0.20 4.11 2.01 -3.23 114.58 118.08 1ily h GLU 106 Ca -0.17 -0.52 -0.03 0.00 0.07 0.00 0.00 59.36 58.71 1ily h GLU 106 Cb 1.86 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1ily h GLU 106 CO 0.09 1.14 -0.00 0.78 0.07 0.00 0.00 179.01 181.09 1ily h GLY 107 N 0.90 0.33 0.00 1.06 0.00 0.11 -3.47 103.07 102.00 1ily h GLY 107 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ily h GLY 107 CO 0.15 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1ily n GLY 108 N -0.30 0.10 3.77 4.60 0.00 -1.08 -4.77 105.19 107.52 1ily n GLY 108 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 4.14 -0.37 0.99 1.02 0.15 -4.65 118.68 119.96 1ily s LEU 109 Ca 0.00 2.26 0.01 0.00 0.02 0.00 0.00 54.13 56.43 1ily s LEU 109 Cb 0.00 -4.10 0.11 0.00 0.02 0.00 0.00 46.19 42.22 1ily s LEU 109 CO 0.00 -0.68 0.15 -1.61 0.02 0.00 0.00 176.35 174.23 1ily s GLU 110 N -2.42 1.13 0.00 1.70 8.01 0.48 -3.40 118.70 124.19 1ily s GLU 110 Ca 0.59 -1.63 0.01 0.00 0.01 0.00 0.00 54.97 53.94 1ily s GLU 110 Cb -0.28 -2.41 0.01 0.00 -4.31 0.00 0.00 34.13 27.13 1ily s GLU 110 CO 0.35 -1.05 0.53 1.97 0.01 0.00 0.00 175.26 177.08