#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 -0.21 -4.69 6.15 4.32 -1.26 -3.95 117.00 117.36 1ily n LEU 23 Ca 0.00 0.70 -0.37 0.00 -0.02 0.00 0.00 56.01 56.31 1ily n LEU 23 Cb 0.00 -0.56 -0.08 0.00 -1.62 0.00 0.00 43.42 41.16 1ily n LEU 23 CO 0.00 -1.33 0.00 0.00 -1.22 0.00 0.00 177.39 174.84 1ily s ARG 24 N -0.17 4.18 0.08 3.23 1.70 0.64 0.30 118.95 128.92 1ily s ARG 24 Ca 0.50 0.06 -0.19 0.00 -0.47 0.00 0.00 55.73 55.64 1ily s ARG 24 Cb -0.71 -3.50 -0.07 0.00 -0.57 0.00 0.00 34.95 30.10 1ily s ARG 24 CO 0.34 0.08 0.57 -1.17 -1.08 0.00 0.00 175.30 174.03 1ily s LEU 25 N 0.97 4.50 -0.14 -1.89 0.20 0.18 -1.24 118.68 121.26 1ily s LEU 25 Ca 0.16 1.23 -0.04 0.00 0.69 0.00 0.00 54.13 56.17 1ily s LEU 25 Cb -0.14 -2.96 0.06 0.00 -0.43 0.00 0.00 46.19 42.73 1ily s LEU 25 CO 0.06 0.25 0.14 -0.55 -0.29 0.00 0.00 176.35 175.95 1ily s SER 26 N -1.21 1.49 -0.27 3.68 0.15 -0.37 -2.26 113.70 114.92 1ily s SER 26 Ca 0.30 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 1ily s SER 26 Cb -0.19 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1ily s SER 26 CO 0.19 -0.30 0.16 0.54 1.20 0.00 0.00 173.24 175.03 1ily s VAL 27 N 2.24 5.07 0.06 4.45 0.11 -1.26 0.41 120.40 131.47 1ily s VAL 27 Ca 0.04 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1ily s VAL 27 Cb -0.14 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 1ily s VAL 27 CO -0.08 0.28 0.23 0.12 -3.33 0.00 0.00 175.10 172.32 1ily s PHE 28 N 1.68 3.52 -0.13 1.54 5.36 0.21 -4.93 117.98 125.23 1ily s PHE 28 Ca 0.07 0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1ily s PHE 28 Cb -0.16 -1.83 0.06 0.00 -0.34 0.00 0.00 43.02 40.76 1ily s PHE 28 CO 0.09 0.58 0.26 1.03 -1.46 0.00 0.00 175.22 175.71 1ily s ARG 29 N -2.38 0.14 -0.20 10.12 0.52 -1.26 -1.04 118.95 124.84 1ily s ARG 29 Ca 0.34 0.73 -0.21 0.00 -0.52 0.00 0.00 55.73 56.07 1ily s ARG 29 Cb -0.13 -0.07 -0.18 0.00 0.52 0.00 0.00 34.95 35.09 1ily s ARG 29 CO 0.25 -0.30 0.19 0.77 0.02 0.00 0.00 175.30 176.24 1ily h SER 30 N 8.29 0.00 0.00 0.23 0.02 -1.98 -3.49 113.55 116.62 1ily h SER 30 Ca -0.14 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1ily h SER 30 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ily h SER 30 CO 0.14 1.44 0.00 -0.11 -1.14 0.00 0.00 176.83 177.16 1ily n LEU 31 N -4.45 -0.08 -0.07 5.07 0.00 -1.26 -4.92 117.00 111.30 1ily n LEU 31 Ca -0.30 0.23 0.01 0.00 0.00 0.00 0.00 56.01 55.95 1ily n LEU 31 Cb 0.65 0.30 0.02 0.00 0.00 0.00 0.00 43.42 44.39 1ily n LEU 31 CO 0.18 -0.00 0.51 1.17 0.00 0.00 0.00 177.39 179.25 1ily n LYS 32 N -2.47 2.97 -4.55 1.96 4.81 -1.26 -5.02 118.16 114.60 1ily n LYS 32 Ca 0.00 -1.57 -0.29 0.00 -0.87 0.00 0.00 58.31 55.58 1ily n LYS 32 Cb 0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.02 2.34 -0.05 5.64 3.76 -1.26 -4.87 115.29 119.83 1ily s HIS 33 Ca 0.03 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 1ily s HIS 33 Cb 0.02 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.41 1ily s HIS 33 CO 0.02 0.28 -0.09 -1.50 -0.85 0.00 0.00 174.74 172.59 1ily s ILE 34 N -0.99 0.88 -0.00 0.60 1.10 -1.26 -3.27 121.20 118.25 1ily s ILE 34 Ca 0.14 -0.35 -0.11 0.00 -0.51 0.00 0.00 60.65 59.82 1ily s ILE 34 Cb -0.10 -0.82 0.01 0.00 0.15 0.00 0.00 42.46 41.70 1ily s ILE 34 CO 0.05 0.29 0.22 -0.31 -2.11 0.00 0.00 174.94 173.08 1ily s TYR 35 N 0.59 -0.06 -0.07 3.50 1.51 -0.21 -3.57 117.35 119.04 1ily s TYR 35 Ca -0.11 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1ily s TYR 35 Cb -0.13 0.02 0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1ily s TYR 35 CO 0.02 -0.33 -0.01 0.00 -1.11 0.00 0.00 175.55 174.12 1ily s ALA 36 N -1.36 0.72 -0.28 3.71 0.00 -0.26 0.64 121.76 124.94 1ily s ALA 36 Ca -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1ily s ALA 36 Cb -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1ily s ALA 36 CO 0.03 -0.42 -0.01 1.14 0.00 0.00 0.00 175.76 176.50 1ily s GLN 37 N 1.86 2.72 -0.71 0.00 -2.07 0.17 -1.62 119.66 120.01 1ily s GLN 37 Ca 0.03 -1.07 -0.20 0.00 -1.82 0.00 0.00 55.36 52.30 1ily s GLN 37 Cb -0.12 -3.14 0.10 0.00 -1.09 0.00 0.00 33.01 28.76 1ily s GLN 37 CO -0.05 -0.50 0.92 0.42 -1.32 0.00 0.00 175.29 174.76 1ily s ILE 38 N 1.33 4.62 0.34 3.63 -1.09 0.19 -1.23 121.20 129.00 1ily s ILE 38 Ca -0.01 -0.94 0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1ily s ILE 38 Cb -0.18 -4.64 -0.01 0.00 -1.58 0.00 0.00 42.46 36.05 1ily s ILE 38 CO -0.02 -1.35 0.49 -0.63 -1.23 0.00 0.00 174.94 172.19 1ily s ILE 39 N 3.16 4.25 -0.50 2.92 1.09 -0.37 -2.07 121.20 129.68 1ily s ILE 39 Ca 0.21 -0.91 -0.16 0.00 -1.10 0.00 0.00 60.65 58.70 1ily s ILE 39 Cb -0.16 -3.49 0.09 0.00 -1.06 0.00 0.00 42.46 37.84 1ily s ILE 39 CO 0.03 -0.22 0.46 -0.62 -0.10 0.00 0.00 174.94 174.49 1ily s ASP 40 N -4.15 6.17 -0.13 3.58 -1.08 0.22 -0.26 116.67 121.01 1ily s ASP 40 Ca 0.44 -1.48 0.02 0.00 -0.52 0.00 0.00 52.55 51.01 1ily s ASP 40 Cb -0.10 -2.20 0.24 0.00 -1.46 0.00 0.00 42.92 39.40 1ily s ASP 40 CO 0.32 -0.75 1.20 -0.90 0.52 0.00 0.00 175.17 175.55 1ily n ASP 41 N 5.31 3.06 -0.05 -0.34 5.75 -1.26 -2.48 116.55 126.54 1ily n ASP 41 Ca -0.13 -2.47 -0.09 0.00 -0.01 0.00 0.00 54.79 52.09 1ily n ASP 41 Cb 0.42 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.88 1ily n ASP 41 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ily n GLU 42 N 0.02 0.21 -3.90 0.11 0.28 -1.26 -4.92 120.64 111.18 1ily n GLU 42 Ca 0.17 0.08 -0.27 0.00 -0.16 0.00 0.00 57.16 56.98 1ily n GLU 42 Cb 0.80 -0.91 -0.17 0.00 1.43 0.00 0.00 31.44 32.59 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ily s LYS 43 N -2.18 1.51 -0.71 3.44 -0.14 -1.21 -5.03 119.74 115.42 1ily s LYS 43 Ca -0.13 -0.34 -0.11 0.00 -1.36 0.00 0.00 55.97 54.02 1ily s LYS 43 Cb 0.05 -1.73 -0.20 0.00 -1.68 0.00 0.00 37.83 34.27 1ily s LYS 43 CO 0.18 -0.32 1.89 0.41 -0.76 0.00 0.00 175.35 176.75 1ily n GLY 44 N 4.92 -0.30 2.68 -3.33 0.00 -1.22 -4.45 105.19 103.49 1ily n GLY 44 Ca -0.12 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 4.48 0.18 -0.13 1.61 1.01 -1.04 -4.97 120.40 121.54 1ily s VAL 45 Ca 0.85 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 1ily s VAL 45 Cb -0.41 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1ily s VAL 45 CO 0.29 -0.12 1.15 -0.89 0.00 0.00 0.00 175.10 175.54 1ily s THR 46 N 2.02 4.44 -0.08 3.92 2.01 -1.26 0.71 115.64 127.40 1ily s THR 46 Ca 0.02 1.74 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 1ily s THR 46 Cb -0.15 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1ily s THR 46 CO -0.07 -0.08 -0.17 0.18 -0.69 0.00 0.00 174.62 173.79 1ily n LEU 47 N 5.81 1.05 -4.31 4.42 4.32 -0.88 -4.94 117.00 122.48 1ily n LEU 47 Ca 0.12 0.17 -0.26 0.00 -0.02 0.00 0.00 56.01 56.02 1ily n LEU 47 Cb 0.46 -0.57 -0.13 0.00 -1.62 0.00 0.00 43.42 41.56 1ily n LEU 47 CO 0.54 -0.41 -0.54 -0.69 -1.22 0.00 0.00 177.39 175.07 1ily s VAL 48 N -2.02 1.88 -0.19 4.08 1.01 -0.97 -5.00 120.40 119.18 1ily s VAL 48 Ca -0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 1ily s VAL 48 Cb 0.02 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.84 1ily s VAL 48 CO 0.21 0.12 0.37 -0.94 0.00 0.00 0.00 175.10 174.86 1ily s SER 49 N -1.61 0.04 0.08 3.32 1.04 -1.26 0.58 113.70 115.89 1ily s SER 49 Ca 0.09 0.69 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1ily s SER 49 Cb -0.10 1.13 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 1ily s SER 49 CO 0.03 -0.25 -0.13 0.00 0.98 0.00 0.00 173.24 173.87 1ily s ALA 50 N 2.55 1.17 -0.05 5.32 0.00 -0.64 -4.97 121.76 125.14 1ily s ALA 50 Ca 0.03 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1ily s ALA 50 Cb -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ily s ALA 50 CO -0.13 0.12 0.35 0.45 0.00 0.00 0.00 175.76 176.55 1ily s SER 51 N -1.90 -0.27 0.01 0.00 0.15 -1.26 -1.10 113.70 109.32 1ily s SER 51 Ca -0.00 0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 1ily s SER 51 Cb -0.09 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1ily s SER 51 CO 0.02 -0.37 0.96 0.28 1.20 0.00 0.00 173.24 175.33 1ily h SER 52 N 4.29 -0.16 0.02 5.45 0.02 -1.82 -1.94 113.55 119.41 1ily h SER 52 Ca -0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ily h SER 52 Cb 1.18 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ily h SER 52 CO 0.36 -0.11 0.00 0.25 -1.14 0.00 0.00 176.83 176.20 1ily h LEU 53 N -0.21 0.00 0.08 5.07 7.12 -1.30 -2.11 115.31 123.96 1ily h LEU 53 Ca -0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 1ily h LEU 53 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1ily h LEU 53 CO 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 178.44 178.30 1ily h ALA 54 N 2.01 -0.18 -0.13 1.25 0.00 -1.75 -3.38 119.26 117.07 1ily h ALA 54 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ily h ALA 54 Cb 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1ily h ALA 54 CO 0.00 -0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 178.84 1ily h LEU 55 N -0.55 -0.55 0.00 0.00 4.07 -1.30 -3.46 115.31 113.53 1ily h LEU 55 Ca -0.01 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ily h LEU 55 Cb 0.08 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1ily h LEU 55 CO 0.02 -0.23 0.00 0.29 -1.08 0.00 0.00 178.44 177.44 1ily n LYS 56 N -5.32 0.00 -1.69 1.13 4.76 -1.10 -5.12 118.16 110.81 1ily n LYS 56 Ca -0.03 0.00 -0.53 0.00 -2.87 0.00 0.00 58.31 54.88 1ily n LYS 56 Cb 0.24 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.37 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ily n LEU 57 N 0.00 2.80 -3.15 -0.35 4.77 -0.81 -4.81 117.00 115.46 1ily n LEU 57 Ca 0.00 1.04 -0.36 0.00 -0.03 0.00 0.00 56.01 56.66 1ily n LEU 57 Cb 0.00 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 1ily n LEU 57 CO 0.00 -0.31 3.15 1.17 -1.33 0.00 0.00 177.39 180.07 1ily n LYS 58 N 5.66 3.52 -2.05 3.23 0.00 -1.26 -0.95 118.16 126.30 1ily n LYS 58 Ca 0.24 -2.09 -0.42 0.00 0.00 0.00 0.00 58.31 56.05 1ily n LYS 58 Cb 0.20 -2.69 -0.03 0.00 0.00 0.00 0.00 35.03 32.52 1ily n LYS 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ily s GLY 59 N 2.08 2.19 -0.22 3.14 0.00 -1.26 -4.94 107.32 108.30 1ily s GLY 59 Ca 0.69 1.28 -0.18 0.00 0.00 0.00 0.00 44.72 46.51 1ily s GLY 59 CO -0.05 2.31 0.01 -2.01 0.00 0.00 0.00 173.10 173.35 1ily n ASN 60 N 2.79 1.89 0.00 1.64 4.05 -1.26 -4.61 115.26 119.76 1ily n ASN 60 Ca 0.08 0.41 0.00 0.00 0.45 0.00 0.00 54.58 55.52 1ily n ASN 60 Cb 0.41 -0.91 0.00 0.00 1.23 0.00 0.00 39.78 40.50 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ily n LYS 61 N -4.40 0.00 -0.86 1.20 4.01 -1.26 -4.80 118.16 112.06 1ily n LYS 61 Ca -0.36 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.27 1ily n LYS 61 Cb 0.70 0.00 0.12 0.00 -0.51 0.00 0.00 35.03 35.34 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1ily n THR 62 N 0.00 2.56 -0.03 -0.18 -2.24 -1.26 -3.90 114.28 109.23 1ily n THR 62 Ca 0.00 -1.39 -0.02 0.00 -2.27 0.00 0.00 64.05 60.37 1ily n THR 62 Cb 0.00 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.58 0.19 0.07 -0.78 4.07 -1.26 -4.68 120.64 117.67 1ily n GLU 63 Ca 0.41 0.25 0.11 0.00 -0.06 0.00 0.00 57.16 57.87 1ily n GLU 63 Cb 1.24 -1.02 -0.01 0.00 -0.06 0.00 0.00 31.44 31.59 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ily n VAL 64 N -3.22 0.45 -0.18 6.31 0.31 -1.26 -4.42 118.33 116.32 1ily n VAL 64 Ca -0.04 -0.49 0.12 0.00 -0.01 0.00 0.00 64.34 63.92 1ily n VAL 64 Cb 0.14 -0.21 0.23 0.00 -0.91 0.00 0.00 33.84 33.09 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 -2.13 0.39 0.35 3.52 0.00 -1.25 0.13 120.51 121.53 1ily n ALA 65 Ca -0.00 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 1ily n ALA 65 Cb 0.53 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.87 -0.53 0.00 2.43 -1.67 0.10 114.38 113.85 1ily h ARG 66 Ca 0.38 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.76 1ily h ARG 66 Cb 0.90 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1ily h ARG 66 CO -0.47 -0.58 0.69 1.96 -1.51 0.00 0.00 179.97 180.06 1ily h GLN 67 N -1.11 0.00 0.09 0.20 4.20 0.85 2.19 115.11 121.52 1ily h GLN 67 Ca -0.09 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.36 1ily h GLN 67 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1ily h GLN 67 CO 0.15 0.00 -1.19 -0.24 -0.67 0.00 0.00 178.83 176.89 1ily h VAL 68 N 0.00 1.55 0.00 -0.54 3.04 0.61 -2.39 116.25 118.52 1ily h VAL 68 Ca 0.25 -3.16 -0.14 0.00 -1.01 0.00 0.00 66.70 62.64 1ily h VAL 68 Cb 1.63 2.90 -0.02 0.00 -2.01 0.00 0.00 31.29 33.80 1ily h VAL 68 CO -0.00 0.91 -0.66 1.23 -1.01 0.00 0.00 177.57 178.04 1ily h GLY 69 N 2.05 0.00 1.24 3.17 0.00 0.59 -0.75 103.07 109.36 1ily h GLY 69 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 1ily h GLY 69 CO 0.18 0.00 -0.94 0.07 0.00 0.00 0.00 176.54 175.85 1ily h ARG 70 N 0.00 0.71 -0.14 4.80 -0.00 0.03 0.84 114.38 120.62 1ily h ARG 70 Ca -0.01 -0.69 -0.15 0.00 -0.00 0.00 0.00 59.98 59.14 1ily h ARG 70 Cb 1.41 0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 31.55 1ily h ARG 70 CO 0.09 1.28 -0.54 0.00 -0.00 0.00 0.00 179.97 180.80 1ily h ALA 71 N 0.49 0.82 0.25 0.08 0.00 -1.44 0.54 119.26 120.00 1ily h ALA 71 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ily h ALA 71 Cb 1.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ily h ALA 71 CO 0.19 0.69 -0.12 1.25 0.00 0.00 0.00 179.25 181.25 1ily h LEU 72 N 0.31 -0.29 -2.14 0.00 5.85 -1.04 0.27 115.31 118.27 1ily h LEU 72 Ca 0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1ily h LEU 72 Cb 1.05 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ily h LEU 72 CO 0.09 0.14 -0.06 0.00 -0.34 0.00 0.00 178.44 178.27 1ily h ALA 73 N -0.23 1.51 0.01 1.25 0.00 0.62 0.71 119.26 123.13 1ily h ALA 73 Ca -0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1ily h ALA 73 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ily h ALA 73 CO 0.06 0.08 -0.92 0.93 0.00 0.00 0.00 179.25 179.40 1ily h GLU 74 N 0.00 0.08 0.05 0.00 5.08 0.30 -1.64 114.58 118.45 1ily h GLU 74 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ily h GLU 74 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ily h GLU 74 CO 0.01 0.93 -0.02 0.87 -1.00 0.00 0.00 179.01 179.80 1ily h LYS 75 N 0.04 -0.06 -0.93 2.33 1.57 0.28 -2.84 116.57 116.95 1ily h LYS 75 Ca -0.03 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.03 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 0.13 -0.04 0.32 0.00 -0.57 0.00 0.00 179.45 179.29 1ily h ALA 76 N -1.89 1.51 -1.00 3.86 0.00 0.11 1.10 119.26 122.95 1ily h ALA 76 Ca -0.01 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1ily h ALA 76 Cb 0.05 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1ily h ALA 76 CO 0.01 -0.55 0.64 -0.07 0.00 0.00 0.00 179.25 179.28 1ily h LEU 77 N 0.20 0.98 -2.05 0.00 3.38 -1.38 0.67 115.31 117.10 1ily h LEU 77 Ca 0.63 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.69 1ily h LEU 77 Cb 1.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ily h LEU 77 CO -0.68 0.58 0.36 0.00 0.09 0.00 0.00 178.44 178.78 1ily h ALA 78 N 1.50 1.79 0.00 1.53 0.00 0.15 0.94 119.26 125.17 1ily h ALA 78 Ca 0.46 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.14 1ily h ALA 78 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 78 CO -0.21 -0.48 -1.51 -0.07 0.00 0.00 0.00 179.25 176.99 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 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ily h LEU 79 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ily h LEU 79 CO -0.00 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1ily n GLY 80 N 1.46 1.34 3.56 0.83 0.00 0.33 -5.05 105.19 107.66 1ily n GLY 80 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 3.56 -0.16 -0.61 1.09 -0.95 -4.82 121.20 117.31 1ily s ILE 81 Ca 0.00 0.42 -0.13 0.00 -1.10 0.00 0.00 60.65 59.84 1ily s ILE 81 Cb 0.00 -4.19 -0.07 0.00 -1.06 0.00 0.00 42.46 37.14 1ily s ILE 81 CO 0.00 -1.04 -0.11 1.17 -0.10 0.00 0.00 174.94 174.86 1ily n LYS 82 N 8.93 0.49 -4.51 2.79 4.81 -1.26 -4.27 118.16 125.14 1ily n LYS 82 Ca 0.16 0.51 -0.34 0.00 -0.87 0.00 0.00 58.31 57.76 1ily n LYS 82 Cb 0.50 -1.68 -0.11 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.33 3.00 0.29 1.64 -0.44 -1.26 0.17 119.66 120.73 1ily s GLN 83 Ca -0.20 -0.50 0.06 0.00 -2.50 0.00 0.00 55.36 52.21 1ily s GLN 83 Cb 0.04 -2.72 -0.06 0.00 -1.64 0.00 0.00 33.01 28.63 1ily s GLN 83 CO 0.33 0.59 -0.02 0.08 0.50 0.00 0.00 175.29 176.77 1ily s VAL 84 N -0.60 1.46 -0.30 1.34 1.01 -0.19 -3.24 120.40 119.89 1ily s VAL 84 Ca 0.09 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 59.98 1ily s VAL 84 Cb -0.12 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1ily s VAL 84 CO 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 175.10 174.89 1ily s ALA 85 N -3.12 2.80 -0.57 5.51 0.00 0.15 -4.15 121.76 122.37 1ily s ALA 85 Ca 0.31 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1ily s ALA 85 Cb 0.05 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1ily s ALA 85 CO 0.12 -1.29 1.17 0.12 0.00 0.00 0.00 175.76 175.88 1ily s PHE 86 N 1.23 2.63 -0.37 0.00 5.36 -1.26 0.47 117.98 126.05 1ily s PHE 86 Ca -0.05 0.40 0.08 0.00 -0.96 0.00 0.00 56.93 56.40 1ily s PHE 86 Cb -0.20 -4.48 0.44 0.00 -0.34 0.00 0.00 43.02 38.45 1ily s PHE 86 CO -0.02 -1.55 1.12 -3.47 -1.46 0.00 0.00 175.22 169.84 1ily n ASP 87 N 8.33 4.20 -0.31 6.13 2.03 -0.96 -4.89 116.55 131.08 1ily n ASP 87 Ca 0.08 -3.50 0.14 0.00 0.52 0.00 0.00 54.79 52.03 1ily n ASP 87 Cb 0.49 -0.43 0.29 0.00 -0.72 0.00 0.00 41.12 40.75 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 2.50 0.10 0.00 -0.67 0.11 -1.90 -3.47 114.38 111.05 1ily h ARG 88 Ca 0.25 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1ily h ARG 88 Cb 1.17 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1ily h ARG 88 CO 0.74 0.07 0.00 0.41 0.10 0.00 0.00 179.97 181.28 1ily n GLY 89 N -1.42 0.97 1.28 0.08 0.00 -1.26 -4.61 105.19 100.23 1ily n GLY 89 Ca 0.22 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 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 2.03 -3.41 1.61 -0.04 -1.26 -4.91 135.00 129.01 1ily n PRO 90 Ca 0.00 -1.23 -0.26 0.00 -0.04 0.00 0.00 63.50 61.97 1ily n PRO 90 Cb 0.00 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.51 3.49 0.10 0.54 1.51 -1.26 -5.11 117.35 115.11 1ily s TYR 91 Ca 0.22 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.80 1ily s TYR 91 Cb 0.18 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1ily s TYR 91 CO 0.05 0.18 -0.16 0.21 -1.11 0.00 0.00 175.55 174.72 1ily s LYS 92 N -3.87 0.98 -0.80 -0.62 2.47 -1.26 -5.03 119.74 111.60 1ily s LYS 92 Ca 0.41 -1.11 -0.23 0.00 -1.56 0.00 0.00 55.97 53.48 1ily s LYS 92 Cb -0.10 -1.03 -0.18 0.00 -1.46 0.00 0.00 37.83 35.05 1ily s LYS 92 CO 0.33 0.22 2.41 0.98 0.16 0.00 0.00 175.35 179.46 1ily n TYR 93 N 0.97 0.84 -4.17 4.03 9.36 -1.26 -4.88 117.16 122.06 1ily n TYR 93 Ca -0.19 0.10 -0.25 0.00 3.32 0.00 0.00 57.90 60.88 1ily n TYR 93 Cb 0.55 -2.08 -0.07 0.00 -0.63 0.00 0.00 39.34 37.11 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 9.53 2.51 0.28 2.98 2.46 -1.26 -4.98 115.29 126.81 1ily s HIS 94 Ca 1.12 -0.62 -0.04 0.00 0.47 0.00 0.00 55.06 55.99 1ily s HIS 94 Cb -0.54 -1.94 0.57 0.00 -0.13 0.00 0.00 32.58 30.55 1ily s HIS 94 CO 0.33 0.16 1.58 0.78 -2.47 0.00 0.00 174.74 175.12 1ily h GLY 95 N 1.40 0.97 0.10 1.59 0.00 -1.97 -1.63 103.07 103.52 1ily h GLY 95 Ca -0.43 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ily h GLY 95 CO 0.70 -0.41 -0.07 3.21 0.00 0.00 0.00 176.54 179.97 1ily h ARG 96 N 0.03 -0.15 -0.92 4.80 3.08 -1.96 -2.65 114.38 116.60 1ily h ARG 96 Ca 0.51 0.01 0.39 0.00 0.07 0.00 0.00 59.98 60.96 1ily h ARG 96 Cb 0.94 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.86 1ily h ARG 96 CO -0.88 -0.10 0.50 0.28 -1.07 0.00 0.00 179.97 178.69 1ily n VAL 97 N -2.62 -0.38 0.00 2.04 0.31 -0.83 0.86 118.33 117.70 1ily n VAL 97 Ca -0.02 1.86 0.00 0.00 -0.01 0.00 0.00 64.34 66.17 1ily n VAL 97 Cb 0.07 -3.02 0.00 0.00 -0.91 0.00 0.00 33.84 29.98 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 -5.06 0.00 -0.10 5.55 5.02 -0.67 0.70 118.16 123.59 1ily n LYS 98 Ca 0.35 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 1ily n LYS 98 Cb 1.18 -1.10 0.46 0.00 -0.02 0.00 0.00 35.03 35.56 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 1.92 -0.06 7.82 0.00 -1.06 -1.71 119.26 124.18 1ily h ALA 99 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ily h ALA 99 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ily h ALA 99 CO 0.00 -0.05 -0.07 1.25 0.00 0.00 0.00 179.25 180.38 1ily h LEU 100 N 0.50 0.16 -2.02 0.00 6.46 0.42 -2.38 115.31 118.44 1ily h LEU 100 Ca 0.28 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1ily h LEU 100 Cb 0.44 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1ily h LEU 100 CO -0.08 0.63 -0.04 0.00 -0.62 0.00 0.00 178.44 178.33 1ily h ALA 101 N 0.54 1.80 -0.10 1.25 0.00 0.82 -0.59 119.26 122.97 1ily h ALA 101 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 101 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ily h ALA 101 CO 0.02 0.06 -0.20 0.93 0.00 0.00 0.00 179.25 180.05 1ily h GLU 102 N 0.00 0.31 -0.37 0.00 5.08 -1.25 0.54 114.58 118.89 1ily h GLU 102 Ca -0.00 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1ily h GLU 102 Cb 0.09 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1ily h GLU 102 CO 0.01 0.80 -0.40 0.78 -1.00 0.00 0.00 179.01 179.20 1ily h GLY 103 N -0.13 -0.49 1.57 -3.84 0.00 -0.76 9.15 103.07 108.57 1ily h GLY 103 Ca 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 1ily h GLY 103 CO 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 176.54 176.37 1ily h ALA 104 N 0.48 1.34 0.00 3.60 0.00 0.54 1.21 119.26 126.44 1ily h ALA 104 Ca 0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 104 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ily h ALA 104 CO -0.55 0.45 -1.06 0.00 0.00 0.00 0.00 179.25 178.10 1ily h ARG 105 N 0.51 0.00 0.07 0.00 2.47 0.23 0.24 114.38 117.90 1ily h ARG 105 Ca 0.11 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.55 1ily h ARG 105 Cb 0.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1ily h ARG 105 CO 0.01 0.28 -1.44 1.05 0.56 0.00 0.00 179.97 180.43 1ily h GLU 106 N 0.00 0.14 -0.11 0.04 4.11 2.01 -3.36 114.58 117.41 1ily h GLU 106 Ca -0.09 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 59.03 1ily h GLU 106 Cb 1.42 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1ily h GLU 106 CO 0.04 0.97 -0.18 0.78 0.07 0.00 0.00 179.01 180.70 1ily h GLY 107 N 2.33 0.35 0.00 1.06 0.00 0.14 -3.48 103.07 103.47 1ily h GLY 107 Ca -0.20 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1ily h GLY 107 CO 0.14 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1ily n GLY 108 N 0.34 0.09 3.77 4.60 0.00 -1.14 -4.75 105.19 108.10 1ily n GLY 108 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 4.02 -0.40 0.99 1.02 0.84 -4.68 118.68 120.47 1ily s LEU 109 Ca 0.00 2.22 0.02 0.00 0.02 0.00 0.00 54.13 56.39 1ily s LEU 109 Cb 0.00 -4.26 0.12 0.00 0.02 0.00 0.00 46.19 42.07 1ily s LEU 109 CO 0.00 -0.83 0.17 -1.61 0.02 0.00 0.00 176.35 174.10 1ily s GLU 110 N -2.70 1.23 0.00 1.70 8.01 0.46 -3.68 118.70 123.72 1ily s GLU 110 Ca 0.63 -1.79 0.00 0.00 0.01 0.00 0.00 54.97 53.82 1ily s GLU 110 Cb -0.26 -2.48 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 1ily s GLU 110 CO 0.32 -1.07 0.28 1.97 0.01 0.00 0.00 175.26 176.77