#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 1.18 -4.64 6.15 7.99 -1.26 -3.81 117.00 122.60 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 -0.08 0.00 -0.11 0.00 0.00 43.42 42.22 1ily n LEU 23 CO 0.00 -1.12 0.09 -0.60 -1.51 0.00 0.00 177.39 174.25 1ily s ARG 24 N 1.70 4.10 0.13 3.23 3.52 0.18 0.23 118.95 132.04 1ily s ARG 24 Ca 0.95 0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 56.52 1ily s ARG 24 Cb -1.23 -3.59 -0.07 0.00 -1.56 0.00 0.00 34.95 28.50 1ily s ARG 24 CO 0.64 -0.16 0.57 -1.17 -0.81 0.00 0.00 175.30 174.38 1ily s LEU 25 N 1.69 4.41 -0.22 -0.88 0.20 0.96 -1.06 118.68 123.79 1ily s LEU 25 Ca 0.17 1.18 -0.03 0.00 0.69 0.00 0.00 54.13 56.14 1ily s LEU 25 Cb -0.15 -3.16 0.10 0.00 -0.43 0.00 0.00 46.19 42.55 1ily s LEU 25 CO 0.09 0.16 0.25 -0.44 -0.29 0.00 0.00 176.35 176.12 1ily s SER 26 N -1.48 1.29 -0.28 3.68 0.01 0.11 -2.69 113.70 114.33 1ily s SER 26 Ca 0.35 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 1ily s SER 26 Cb -0.17 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 1ily s SER 26 CO 0.19 -0.33 0.32 0.54 0.41 0.00 0.00 173.24 174.37 1ily s VAL 27 N 2.36 5.21 -0.08 3.43 0.11 -1.26 0.73 120.40 130.90 1ily s VAL 27 Ca 0.08 0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1ily s VAL 27 Cb -0.15 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1ily s VAL 27 CO -0.16 0.14 0.03 0.12 -3.33 0.00 0.00 175.10 171.90 1ily s PHE 28 N 1.98 3.24 -0.16 1.54 5.36 0.20 -4.90 117.98 125.23 1ily s PHE 28 Ca 0.12 0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 56.26 1ily s PHE 28 Cb -0.16 -1.80 0.07 0.00 -0.34 0.00 0.00 43.02 40.79 1ily s PHE 28 CO 0.10 0.52 0.37 -0.98 -1.46 0.00 0.00 175.22 173.78 1ily s ARG 29 N -1.04 0.32 0.00 10.12 1.70 -1.26 0.33 118.95 129.12 1ily s ARG 29 Ca 0.15 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.22 1ily s ARG 29 Cb -0.11 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 1ily s ARG 29 CO 0.04 -0.20 0.00 0.45 -1.08 0.00 0.00 175.30 174.51 1ily n SER 30 N 4.67 0.00 0.08 -2.89 2.88 -1.23 -5.00 113.62 112.13 1ily n SER 30 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1ily n SER 30 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1ily n SER 30 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ily n LEU 31 N -0.41 0.39 -0.20 2.46 4.77 -1.26 -4.87 117.00 117.87 1ily n LEU 31 Ca 0.00 0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1ily n LEU 31 Cb 0.00 0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1ily n LEU 31 CO 0.00 -0.69 0.59 1.17 -1.33 0.00 0.00 177.39 177.13 1ily n LYS 32 N -3.37 1.67 -4.42 3.23 4.81 -1.26 -5.02 118.16 113.79 1ily n LYS 32 Ca 0.00 -2.55 -0.25 0.00 -0.87 0.00 0.00 58.31 54.64 1ily n LYS 32 Cb 0.04 -1.52 -0.11 0.00 0.02 0.00 0.00 35.03 33.47 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 -2.73 2.35 -0.05 5.64 3.76 -1.26 -4.98 115.29 118.02 1ily s HIS 33 Ca 0.32 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1ily s HIS 33 Cb 0.27 -1.10 0.03 0.00 1.11 0.00 0.00 32.58 32.89 1ily s HIS 33 CO 0.04 0.60 0.11 -1.50 -0.85 0.00 0.00 174.74 173.14 1ily s ILE 34 N -2.05 -0.04 -0.01 0.60 1.10 -1.26 -3.54 121.20 115.99 1ily s ILE 34 Ca 0.26 0.14 -0.15 0.00 -0.51 0.00 0.00 60.65 60.38 1ily s ILE 34 Cb -0.07 -0.19 0.02 0.00 0.15 0.00 0.00 42.46 42.38 1ily s ILE 34 CO 0.13 0.06 0.31 -0.31 -2.11 0.00 0.00 174.94 173.01 1ily s TYR 35 N 0.84 -0.18 -0.05 3.50 1.51 0.15 -3.44 117.35 119.68 1ily s TYR 35 Ca -0.07 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 1ily s TYR 35 Cb -0.09 0.10 0.02 0.00 -0.11 0.00 0.00 41.96 41.88 1ily s TYR 35 CO -0.04 -0.39 -0.05 0.00 -1.11 0.00 0.00 175.55 173.96 1ily s ALA 36 N -1.33 0.76 -0.25 3.71 0.00 -0.64 0.59 121.76 124.60 1ily s ALA 36 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1ily s ALA 36 Cb -0.05 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.62 1ily s ALA 36 CO 0.04 -0.06 -0.08 -1.14 0.00 0.00 0.00 175.76 174.52 1ily s GLN 37 N 1.02 2.60 -0.56 0.00 0.74 0.22 -2.04 119.66 121.63 1ily s GLN 37 Ca -0.09 -1.13 -0.16 0.00 0.05 0.00 0.00 55.36 54.03 1ily s GLN 37 Cb -0.14 -2.94 0.13 0.00 1.10 0.00 0.00 33.01 31.17 1ily s GLN 37 CO -0.00 -0.47 0.54 0.42 -0.55 0.00 0.00 175.29 175.22 1ily s ILE 38 N 1.24 5.20 0.25 -2.34 -1.09 0.74 0.10 121.20 125.30 1ily s ILE 38 Ca -0.03 -1.52 0.07 0.00 -2.23 0.00 0.00 60.65 56.93 1ily s ILE 38 Cb -0.18 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.31 1ily s ILE 38 CO -0.05 -0.90 0.24 -0.63 -1.23 0.00 0.00 174.94 172.37 1ily s ILE 39 N 1.59 4.65 -0.36 2.92 1.09 -0.22 -2.01 121.20 128.86 1ily s ILE 39 Ca 0.05 -1.30 -0.20 0.00 -1.10 0.00 0.00 60.65 58.10 1ily s ILE 39 Cb -0.28 -3.52 0.00 0.00 -1.06 0.00 0.00 42.46 37.60 1ily s ILE 39 CO 0.02 -0.34 0.62 -0.62 -0.10 0.00 0.00 174.94 174.52 1ily s ASP 40 N -3.88 6.40 -0.14 3.58 -1.08 0.22 0.51 116.67 122.28 1ily s ASP 40 Ca 0.33 0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.48 1ily s ASP 40 Cb -0.08 -2.32 0.37 0.00 -1.46 0.00 0.00 42.92 39.44 1ily s ASP 40 CO 0.26 -0.60 1.19 -0.67 0.52 0.00 0.00 175.17 175.87 1ily n ASP 41 N 6.02 3.30 -0.09 -0.34 2.03 -1.25 -2.49 116.55 123.73 1ily n ASP 41 Ca -0.02 -2.53 -0.19 0.00 0.52 0.00 0.00 54.79 52.57 1ily n ASP 41 Cb 0.49 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.40 -3.85 -0.67 2.13 -1.26 -4.90 120.64 112.63 1ily n GLU 42 Ca 0.17 0.17 -0.26 0.00 0.66 0.00 0.00 57.16 57.90 1ily n GLU 42 Cb 0.80 -1.18 -0.17 0.00 0.27 0.00 0.00 31.44 31.16 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 -2.34 1.16 -0.94 5.31 3.01 -1.24 -5.04 119.74 119.65 1ily s LYS 43 Ca -0.26 -0.22 -0.14 0.00 -1.01 0.00 0.00 55.97 54.34 1ily s LYS 43 Cb 0.10 -1.55 -0.28 0.00 -1.01 0.00 0.00 37.83 35.08 1ily s LYS 43 CO 0.33 -0.35 2.24 0.41 0.51 0.00 0.00 175.35 178.50 1ily n GLY 44 N 5.00 -0.41 2.71 -3.33 0.00 -1.21 -4.43 105.19 103.53 1ily n GLY 44 Ca -0.10 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 4.11 0.34 -0.24 1.61 1.01 -1.04 -4.95 120.40 121.25 1ily s VAL 45 Ca 1.22 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 1ily s VAL 45 Cb -0.68 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1ily s VAL 45 CO 0.45 -0.11 1.16 -0.89 0.00 0.00 0.00 175.10 175.71 1ily s THR 46 N 1.95 4.44 -0.22 3.92 2.01 -1.26 0.70 115.64 127.17 1ily s THR 46 Ca 0.01 1.70 -0.12 0.00 0.31 0.00 0.00 61.69 63.60 1ily s THR 46 Cb -0.16 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 1ily s THR 46 CO -0.07 -0.28 -0.29 0.18 -0.69 0.00 0.00 174.62 173.47 1ily n LEU 47 N 6.73 1.62 -4.18 4.42 4.32 -0.85 -4.96 117.00 124.09 1ily n LEU 47 Ca 0.13 0.28 -0.24 0.00 -0.02 0.00 0.00 56.01 56.16 1ily n LEU 47 Cb 0.46 -0.67 -0.15 0.00 -1.62 0.00 0.00 43.42 41.44 1ily n LEU 47 CO 0.56 0.40 -0.50 -0.69 -1.22 0.00 0.00 177.39 175.95 1ily s VAL 48 N -2.44 1.39 -0.20 4.08 1.01 -0.98 -5.01 120.40 118.24 1ily s VAL 48 Ca -0.31 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1ily s VAL 48 Cb 0.11 -1.19 0.10 0.00 0.00 0.00 0.00 36.38 35.40 1ily s VAL 48 CO 0.40 0.25 0.35 -0.94 0.00 0.00 0.00 175.10 175.16 1ily s SER 49 N -0.78 0.22 0.24 3.32 1.04 -1.26 -0.19 113.70 116.30 1ily s SER 49 Ca 0.06 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.05 1ily s SER 49 Cb -0.07 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 67.03 1ily s SER 49 CO 0.00 -0.27 -0.11 0.00 0.98 0.00 0.00 173.24 173.84 1ily s ALA 50 N 2.52 2.17 -0.16 5.32 0.00 -0.87 -4.97 121.76 125.77 1ily s ALA 50 Ca 0.06 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.18 1ily s ALA 50 Cb -0.14 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1ily s ALA 50 CO -0.13 0.02 0.37 -1.54 0.00 0.00 0.00 175.76 174.48 1ily s SER 51 N -3.37 -0.33 0.57 0.00 1.04 -1.26 -1.61 113.70 108.73 1ily s SER 51 Ca 0.25 0.82 0.26 0.00 0.48 0.00 0.00 55.95 57.77 1ily s SER 51 Cb 0.01 0.81 1.57 0.00 0.10 0.00 0.00 66.02 68.51 1ily s SER 51 CO 0.09 -0.20 2.10 0.28 0.98 0.00 0.00 173.24 176.48 1ily h SER 52 N 7.46 0.00 -0.01 7.02 0.02 -1.93 -1.17 113.55 124.94 1ily h SER 52 Ca -0.31 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.39 1ily h SER 52 Cb 1.16 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.71 1ily h SER 52 CO 0.26 0.00 -0.95 0.17 -1.14 0.00 0.00 176.83 175.17 1ily h LEU 53 N 0.00 0.89 -1.95 5.07 8.10 -1.94 -2.99 115.31 122.49 1ily h LEU 53 Ca 0.10 -0.67 0.00 0.00 0.11 0.00 0.00 57.88 57.42 1ily h LEU 53 Cb 0.50 -0.27 -0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1ily h LEU 53 CO -0.00 1.47 0.04 0.00 -4.11 0.00 0.00 178.44 175.84 1ily h ALA 54 N 0.49 1.96 -0.44 0.17 0.00 -1.57 0.22 119.26 120.08 1ily h ALA 54 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ily h ALA 54 Cb 1.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ily h ALA 54 CO 0.19 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.75 1ily n LEU 55 N -4.53 2.63 -0.38 0.00 4.32 -1.08 -4.94 117.00 113.01 1ily n LEU 55 Ca -0.02 -1.32 0.00 0.00 -0.02 0.00 0.00 56.01 54.65 1ily n LEU 55 Cb 0.09 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1ily n LEU 55 CO 0.34 0.59 0.00 1.17 -1.22 0.00 0.00 177.39 178.27 1ily n LYS 56 N 0.77 -0.08 -1.85 3.23 3.00 0.77 -4.79 118.16 119.21 1ily n LYS 56 Ca 0.15 -0.04 -0.30 0.00 -0.00 0.00 0.00 58.31 58.13 1ily n LYS 56 Cb 0.44 0.07 0.17 0.00 0.00 0.00 0.00 35.03 35.71 1ily n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ily s LEU 57 N -0.46 2.50 -1.57 3.14 1.43 -1.26 -4.92 118.68 117.55 1ily s LEU 57 Ca 0.00 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1ily s LEU 57 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1ily s LEU 57 CO 0.00 -2.66 2.78 0.29 0.23 0.00 0.00 176.35 176.98 1ily n LYS 58 N -3.75 3.65 -0.04 1.70 4.01 -1.26 -4.83 118.16 117.64 1ily n LYS 58 Ca 0.13 -2.40 0.00 0.00 -0.51 0.00 0.00 58.31 55.53 1ily n LYS 58 Cb 0.60 -2.87 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ily n GLY 59 N 3.48 5.89 0.85 0.72 0.00 -1.26 -5.08 105.19 109.79 1ily n GLY 59 Ca 0.72 -1.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ily n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ily n ASN 60 N -0.05 0.04 0.00 1.61 2.85 -1.26 -5.06 115.26 113.39 1ily n ASN 60 Ca 0.00 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1ily n ASN 60 Cb 0.00 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 40.93 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ily n LYS 61 N -2.54 0.00 0.21 1.20 4.01 -1.26 -4.94 118.16 114.84 1ily n LYS 61 Ca -0.00 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.89 1ily n LYS 61 Cb 0.00 0.00 0.37 0.00 -0.51 0.00 0.00 35.03 34.90 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1ily h THR 62 N 0.00 0.59 -0.91 -0.18 1.35 -1.97 -2.70 112.91 109.08 1ily h THR 62 Ca 0.00 -1.30 0.09 0.00 -0.55 0.00 0.00 66.41 64.64 1ily h THR 62 Cb 0.00 1.89 -0.06 0.00 -1.73 0.00 0.00 68.15 68.24 1ily h THR 62 CO 0.00 0.26 0.59 -0.08 -0.25 0.00 0.00 175.52 176.04 1ily h GLU 63 N 0.00 0.93 0.00 4.72 4.22 -1.95 -2.40 114.58 120.09 1ily h GLU 63 Ca -0.00 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 59.24 1ily h GLU 63 Cb 0.86 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1ily h GLU 63 CO 0.03 0.62 -1.65 0.28 -2.18 0.00 0.00 179.01 176.11 1ily n VAL 64 N -4.52 0.87 -0.20 0.32 0.31 -1.19 -4.40 118.33 109.52 1ily n VAL 64 Ca 0.15 -0.66 0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1ily n VAL 64 Cb 0.27 -0.47 0.33 0.00 -0.91 0.00 0.00 33.84 33.07 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 -2.39 0.58 0.32 3.52 0.00 -0.90 0.15 120.51 121.78 1ily n ALA 65 Ca -0.11 0.63 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1ily n ALA 65 Cb 0.79 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.82 -0.80 0.00 2.43 -1.57 -0.88 114.38 112.74 1ily h ARG 66 Ca 0.50 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.95 1ily h ARG 66 Cb 1.28 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 1ily h ARG 66 CO -0.48 -0.55 0.74 1.96 -1.51 0.00 0.00 179.97 180.13 1ily h GLN 67 N -1.20 0.00 -0.05 0.20 4.20 0.11 1.90 115.11 120.28 1ily h GLN 67 Ca -0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 1ily h GLN 67 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1ily h GLN 67 CO 0.14 0.00 -0.84 -0.24 -0.67 0.00 0.00 178.83 177.23 1ily h VAL 68 N 0.00 1.38 -0.02 -0.54 3.04 0.42 -2.29 116.25 118.24 1ily h VAL 68 Ca 0.38 -2.26 -0.23 0.00 -1.01 0.00 0.00 66.70 63.58 1ily h VAL 68 Cb 1.86 2.24 0.01 0.00 -2.01 0.00 0.00 31.29 33.39 1ily h VAL 68 CO -0.00 0.68 -0.92 1.23 -1.01 0.00 0.00 177.57 177.55 1ily h GLY 69 N 1.17 0.56 1.45 3.17 0.00 0.41 -2.16 103.07 107.67 1ily h GLY 69 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 1ily h GLY 69 CO 0.15 0.83 0.21 0.07 0.00 0.00 0.00 176.54 177.80 1ily h ARG 70 N 0.30 0.71 -0.22 4.80 -0.00 0.27 0.86 114.38 121.10 1ily h ARG 70 Ca -0.08 -0.10 -0.05 0.00 -0.00 0.00 0.00 59.98 59.75 1ily h ARG 70 Cb 1.55 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 31.38 1ily h ARG 70 CO 0.17 0.58 -0.05 0.00 -0.00 0.00 0.00 179.97 180.67 1ily h ALA 71 N 1.52 0.31 0.33 0.08 0.00 -1.32 0.41 119.26 120.59 1ily h ALA 71 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 71 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ily h ALA 71 CO -0.02 0.09 -0.16 -0.07 0.00 0.00 0.00 179.25 179.09 1ily h LEU 72 N 0.16 -0.38 -2.29 0.00 3.38 -0.71 -0.02 115.31 115.46 1ily h LEU 72 Ca 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ily h LEU 72 Cb 0.50 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ily h LEU 72 CO 0.02 -0.13 0.13 0.00 0.09 0.00 0.00 178.44 178.55 1ily h ALA 73 N -0.02 1.73 0.00 1.53 0.00 0.72 0.96 119.26 124.19 1ily h ALA 73 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1ily h ALA 73 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ily h ALA 73 CO 0.07 -0.19 -0.58 0.93 0.00 0.00 0.00 179.25 179.49 1ily h GLU 74 N 0.00 0.00 0.00 0.00 3.07 0.64 -1.89 114.58 116.40 1ily h GLU 74 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1ily h GLU 74 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1ily h GLU 74 CO -0.00 0.58 -0.10 0.87 -1.40 0.00 0.00 179.01 178.95 1ily h LYS 75 N 0.00 0.00 -0.93 2.33 1.57 0.25 -3.23 116.57 116.56 1ily h LYS 75 Ca -0.01 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 1ily h LYS 75 Cb 1.28 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1ily h LYS 75 CO 0.07 0.00 0.38 0.00 -0.57 0.00 0.00 179.45 179.33 1ily h ALA 76 N -1.30 1.55 -1.00 3.86 0.00 -0.08 0.96 119.26 123.25 1ily h ALA 76 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1ily h ALA 76 Cb 0.10 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1ily h ALA 76 CO 0.00 -0.48 0.63 -0.07 0.00 0.00 0.00 179.25 179.33 1ily h LEU 77 N 0.28 0.97 -1.95 0.00 3.38 -1.49 0.32 115.31 116.82 1ily h LEU 77 Ca 0.62 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.73 1ily h LEU 77 Cb 1.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1ily h LEU 77 CO -0.62 0.56 0.45 0.00 0.09 0.00 0.00 178.44 178.92 1ily h ALA 78 N 1.50 2.03 0.00 1.53 0.00 0.95 1.00 119.26 126.27 1ily h ALA 78 Ca 0.46 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 78 Cb 0.34 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ily h ALA 78 CO -0.22 -0.64 -1.54 -0.07 0.00 0.00 0.00 179.25 176.78 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.94 -3.48 115.31 114.27 1ily h LEU 79 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ily h LEU 79 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ily h LEU 79 CO -0.00 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1ily n GLY 80 N 1.48 1.40 3.58 0.83 0.00 0.35 -5.05 105.19 107.77 1ily n GLY 80 Ca -0.13 0.00 -0.41 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 3.33 -0.17 -0.61 1.09 -0.93 -4.82 121.20 117.09 1ily s ILE 81 Ca 0.00 0.30 -0.13 0.00 -1.10 0.00 0.00 60.65 59.71 1ily s ILE 81 Cb 0.00 -3.56 -0.08 0.00 -1.06 0.00 0.00 42.46 37.76 1ily s ILE 81 CO 0.00 -0.44 -0.09 1.17 -0.10 0.00 0.00 174.94 175.49 1ily n LYS 82 N 8.73 0.49 -4.57 2.79 4.81 -1.26 -4.19 118.16 124.96 1ily n LYS 82 Ca 0.25 0.51 -0.31 0.00 -0.87 0.00 0.00 58.31 57.89 1ily n LYS 82 Cb 0.49 -1.68 -0.12 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.33 2.30 0.21 1.64 -1.52 -1.26 0.13 119.66 118.83 1ily s GLN 83 Ca -0.21 -0.86 0.06 0.00 -1.95 0.00 0.00 55.36 52.40 1ily s GLN 83 Cb 0.04 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.45 1ily s GLN 83 CO 0.35 0.57 -0.10 0.08 -0.25 0.00 0.00 175.29 175.94 1ily s VAL 84 N -0.96 1.49 -0.45 1.09 1.01 0.31 -4.03 120.40 118.87 1ily s VAL 84 Ca 0.16 -2.14 -0.11 0.00 0.00 0.00 0.00 61.98 59.89 1ily s VAL 84 Cb -0.11 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.24 1ily s VAL 84 CO 0.06 -0.54 0.33 0.00 0.00 0.00 0.00 175.10 174.96 1ily s ALA 85 N -3.12 3.40 -0.51 5.51 0.00 0.14 -4.10 121.76 123.07 1ily s ALA 85 Ca 0.23 -2.27 -0.28 0.00 0.00 0.00 0.00 51.96 49.64 1ily s ALA 85 Cb 0.02 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1ily s ALA 85 CO 0.07 -1.76 1.10 0.12 0.00 0.00 0.00 175.76 175.28 1ily s PHE 86 N 1.47 2.77 -0.34 0.00 5.36 -1.26 -0.03 117.98 125.95 1ily s PHE 86 Ca 0.04 0.49 0.12 0.00 -0.96 0.00 0.00 56.93 56.62 1ily s PHE 86 Cb -0.25 -4.35 0.46 0.00 -0.34 0.00 0.00 43.02 38.54 1ily s PHE 86 CO 0.02 -1.35 1.09 -3.47 -1.46 0.00 0.00 175.22 170.05 1ily n ASP 87 N 7.87 3.27 -0.52 6.13 2.03 -1.10 -4.90 116.55 129.34 1ily n ASP 87 Ca 0.09 -3.13 0.42 0.00 0.52 0.00 0.00 54.79 52.69 1ily n ASP 87 Cb 0.49 -0.46 0.71 0.00 -0.72 0.00 0.00 41.12 41.14 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 2.61 0.04 0.00 -0.67 0.11 -1.90 -3.47 114.38 111.11 1ily h ARG 88 Ca 0.12 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1ily h ARG 88 Cb 1.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1ily h ARG 88 CO 0.61 0.03 0.00 0.41 0.10 0.00 0.00 179.97 181.11 1ily n GLY 89 N -1.65 0.82 1.12 0.08 0.00 -1.26 -4.42 105.19 99.88 1ily n GLY 89 Ca 0.39 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 2.72 -2.80 1.61 -0.04 -1.26 -4.92 135.00 130.31 1ily n PRO 90 Ca 0.00 -1.39 -0.40 0.00 -0.04 0.00 0.00 63.50 61.67 1ily n PRO 90 Cb 0.00 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.78 3.93 0.11 0.54 1.51 -1.26 -5.06 117.35 115.34 1ily s TYR 91 Ca 0.24 1.83 0.05 0.00 -1.01 0.00 0.00 57.07 58.18 1ily s TYR 91 Cb 0.18 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1ily s TYR 91 CO 0.07 0.41 0.03 0.21 -1.11 0.00 0.00 175.55 175.17 1ily s LYS 92 N -0.90 2.64 -0.54 -0.62 2.47 -1.26 -5.02 119.74 116.51 1ily s LYS 92 Ca 0.41 -0.85 -0.35 0.00 -1.56 0.00 0.00 55.97 53.62 1ily s LYS 92 Cb -0.25 -2.56 -0.15 0.00 -1.46 0.00 0.00 37.83 33.41 1ily s LYS 92 CO 0.30 0.52 2.32 0.98 0.16 0.00 0.00 175.35 179.64 1ily n TYR 93 N 0.32 1.26 -4.47 4.03 9.36 -1.26 -4.91 117.16 121.49 1ily n TYR 93 Ca -0.10 0.38 -0.23 0.00 3.32 0.00 0.00 57.90 61.27 1ily n TYR 93 Cb 0.53 -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 8.11 2.13 0.31 2.98 2.46 -1.26 -5.03 115.29 124.99 1ily s HIS 94 Ca 1.16 -0.61 0.08 0.00 0.47 0.00 0.00 55.06 56.16 1ily s HIS 94 Cb -0.98 -1.20 0.88 0.00 -0.13 0.00 0.00 32.58 31.15 1ily s HIS 94 CO 0.49 0.41 1.65 0.78 -2.47 0.00 0.00 174.74 175.61 1ily h GLY 95 N 2.19 1.67 0.00 1.59 0.00 -2.01 -2.42 103.07 104.10 1ily h GLY 95 Ca -0.41 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ily h GLY 95 CO 0.68 -0.44 0.00 0.54 0.00 0.00 0.00 176.54 177.32 1ily n ARG 96 N -5.16 0.00 -0.28 4.80 1.74 -1.26 -2.64 116.66 113.86 1ily n ARG 96 Ca 0.26 0.54 0.27 0.00 -0.77 0.00 0.00 57.85 58.15 1ily n ARG 96 Cb 0.83 -1.49 0.50 0.00 -1.02 0.00 0.00 32.46 31.27 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ily n VAL 97 N -2.07 -0.37 0.00 1.55 0.31 -0.95 0.12 118.33 116.93 1ily n VAL 97 Ca 0.00 1.78 0.00 0.00 -0.01 0.00 0.00 64.34 66.11 1ily n VAL 97 Cb 0.00 -2.87 0.00 0.00 -0.91 0.00 0.00 33.84 30.06 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 -4.99 0.00 -0.13 5.55 5.02 -0.96 0.64 118.16 123.29 1ily n LYS 98 Ca 0.32 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.78 1ily n LYS 98 Cb 1.09 -1.09 0.40 0.00 -0.02 0.00 0.00 35.03 35.41 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 1.78 -0.02 7.82 0.00 -1.15 -1.84 119.26 123.84 1ily h ALA 99 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 99 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ily h ALA 99 CO 0.00 0.12 -0.00 1.25 0.00 0.00 0.00 179.25 180.61 1ily h LEU 100 N 0.65 0.04 -1.92 0.00 6.46 0.90 -2.24 115.31 119.20 1ily h LEU 100 Ca 0.28 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1ily h LEU 100 Cb 0.28 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1ily h LEU 100 CO -0.09 0.40 -0.06 0.00 -0.62 0.00 0.00 178.44 178.08 1ily h ALA 101 N 0.64 1.86 -0.22 1.25 0.00 0.65 -0.88 119.26 122.56 1ily h ALA 101 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1ily h ALA 101 Cb 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ily h ALA 101 CO 0.00 0.07 -0.23 0.93 0.00 0.00 0.00 179.25 180.02 1ily h GLU 102 N 0.00 0.54 -0.25 0.00 5.08 -1.21 0.51 114.58 119.25 1ily h GLU 102 Ca -0.00 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1ily h GLU 102 Cb 0.10 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1ily h GLU 102 CO 0.01 0.88 -0.42 0.78 -1.00 0.00 0.00 179.01 179.25 1ily h GLY 103 N 0.23 -0.64 1.87 -3.84 0.00 -0.65 10.78 103.07 110.81 1ily h GLY 103 Ca 0.03 0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1ily h GLY 103 CO 0.06 -0.20 -0.19 0.00 0.00 0.00 0.00 176.54 176.20 1ily h ALA 104 N 0.25 1.50 0.00 3.60 0.00 -0.76 1.04 119.26 124.90 1ily h ALA 104 Ca 0.10 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1ily h ALA 104 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ily h ALA 104 CO -0.47 0.36 -1.39 -0.09 0.00 0.00 0.00 179.25 177.65 1ily h ARG 105 N 0.15 0.00 0.19 0.00 9.65 0.22 0.47 114.38 125.07 1ily h ARG 105 Ca 0.03 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.60 1ily h ARG 105 Cb 0.43 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1ily h ARG 105 CO 0.03 0.29 -1.40 1.05 2.80 0.00 0.00 179.97 182.73 1ily h GLU 106 N 0.00 0.41 -0.10 0.20 4.11 2.40 -3.33 114.58 118.27 1ily h GLU 106 Ca -0.16 -0.70 -0.02 0.00 0.07 0.00 0.00 59.36 58.55 1ily h GLU 106 Cb 1.58 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1ily h GLU 106 CO 0.05 1.33 -0.01 0.78 0.07 0.00 0.00 179.01 181.23 1ily h GLY 107 N 0.86 0.19 0.00 1.06 0.00 0.10 -3.47 103.07 101.81 1ily h GLY 107 Ca -0.21 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ily h GLY 107 CO 0.24 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1ily n GLY 108 N -0.20 0.07 3.78 4.60 0.00 -1.13 -4.76 105.19 107.55 1ily n GLY 108 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1ily n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ily s LEU 109 N 0.00 4.03 -0.37 0.99 1.02 0.16 -4.64 118.68 119.88 1ily s LEU 109 Ca 0.00 2.21 0.01 0.00 0.02 0.00 0.00 54.13 56.37 1ily s LEU 109 Cb 0.00 -4.25 0.11 0.00 0.02 0.00 0.00 46.19 42.07 1ily s LEU 109 CO 0.00 -0.80 0.14 -1.61 0.02 0.00 0.00 176.35 174.10 1ily s GLU 110 N -2.68 1.11 0.00 1.70 8.01 0.36 -3.46 118.70 123.73 1ily s GLU 110 Ca 0.62 -1.61 0.00 0.00 0.01 0.00 0.00 54.97 54.00 1ily s GLU 110 Cb -0.26 -2.41 0.00 0.00 -4.31 0.00 0.00 34.13 27.15 1ily s GLU 110 CO 0.32 -1.04 0.43 1.97 0.01 0.00 0.00 175.26 176.95