#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 -0.66 -4.66 2.89 4.77 -1.25 -3.82 117.00 114.27 1ily n LEU 23 Ca 0.00 0.79 -0.39 0.00 -0.03 0.00 0.00 56.01 56.38 1ily n LEU 23 Cb 0.00 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1ily n LEU 23 CO 0.00 -1.89 0.17 -0.60 -1.33 0.00 0.00 177.39 173.74 1ily s ARG 24 N -0.53 4.17 0.14 3.23 3.52 0.14 0.34 118.95 129.96 1ily s ARG 24 Ca 0.49 0.30 -0.16 0.00 -0.13 0.00 0.00 55.73 56.23 1ily s ARG 24 Cb -0.70 -3.56 -0.07 0.00 -1.56 0.00 0.00 34.95 29.06 1ily s ARG 24 CO 0.39 -0.11 0.58 -1.17 -0.81 0.00 0.00 175.30 174.17 1ily s LEU 25 N 1.54 4.39 -0.21 -0.88 0.20 0.63 -0.89 118.68 123.46 1ily s LEU 25 Ca 0.21 1.18 -0.04 0.00 0.69 0.00 0.00 54.13 56.17 1ily s LEU 25 Cb -0.15 -3.21 0.10 0.00 -0.43 0.00 0.00 46.19 42.49 1ily s LEU 25 CO 0.09 0.14 0.21 -0.44 -0.29 0.00 0.00 176.35 176.06 1ily s SER 26 N -1.54 1.61 -0.26 3.68 0.01 0.42 -3.06 113.70 114.56 1ily s SER 26 Ca 0.36 -0.37 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 1ily s SER 26 Cb -0.16 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 1ily s SER 26 CO 0.19 -0.34 0.28 0.54 0.41 0.00 0.00 173.24 174.32 1ily s VAL 27 N 2.30 5.25 -0.09 3.43 0.11 -1.26 0.54 120.40 130.69 1ily s VAL 27 Ca 0.07 0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1ily s VAL 27 Cb -0.16 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1ily s VAL 27 CO -0.15 0.23 -0.01 0.12 -3.33 0.00 0.00 175.10 171.96 1ily s PHE 28 N 1.72 3.14 -0.16 1.54 5.36 0.21 -4.86 117.98 124.92 1ily s PHE 28 Ca 0.12 0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 1ily s PHE 28 Cb -0.15 -1.79 0.07 0.00 -0.34 0.00 0.00 43.02 40.80 1ily s PHE 28 CO 0.09 0.44 0.37 -0.98 -1.46 0.00 0.00 175.22 173.68 1ily s ARG 29 N -0.82 0.31 0.00 10.12 1.70 -1.26 0.15 118.95 129.15 1ily s ARG 29 Ca 0.12 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.19 1ily s ARG 29 Cb -0.11 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1ily s ARG 29 CO 0.02 -0.20 0.00 -1.13 -1.08 0.00 0.00 175.30 172.91 1ily n SER 30 N 4.68 0.00 0.02 -2.89 3.41 -1.26 -5.00 113.62 112.58 1ily n SER 30 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1ily n SER 30 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ily n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ily n LEU 31 N -0.90 -0.13 -0.32 1.04 -0.00 -1.26 -4.89 117.00 110.54 1ily n LEU 31 Ca 0.00 0.07 0.08 0.00 -0.00 0.00 0.00 56.01 56.17 1ily n LEU 31 Cb 0.00 0.23 0.17 0.00 -0.00 0.00 0.00 43.42 43.82 1ily n LEU 31 CO 0.00 -0.51 0.53 1.17 -0.00 0.00 0.00 177.39 178.58 1ily n LYS 32 N -2.63 1.50 -4.58 1.47 4.81 -1.26 -5.03 118.16 112.45 1ily n LYS 32 Ca 0.00 -2.83 -0.26 0.00 -0.87 0.00 0.00 58.31 54.35 1ily n LYS 32 Cb 0.00 -1.57 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 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 -2.99 2.13 -0.29 5.64 3.76 -1.26 -4.92 115.29 117.36 1ily s HIS 33 Ca 0.35 -0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 54.23 1ily s HIS 33 Cb 0.31 -1.51 0.10 0.00 1.11 0.00 0.00 32.58 32.59 1ily s HIS 33 CO 0.00 0.17 0.68 -1.50 -0.85 0.00 0.00 174.74 173.25 1ily s ILE 34 N -3.00 -0.30 -0.02 0.60 1.10 -1.26 -4.16 121.20 114.16 1ily s ILE 34 Ca 0.29 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 60.26 1ily s ILE 34 Cb 0.07 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.71 1ily s ILE 34 CO 0.14 0.00 0.35 -0.31 -2.11 0.00 0.00 174.94 173.01 1ily s TYR 35 N 2.02 -0.23 -0.07 3.50 1.51 0.12 -2.88 117.35 121.32 1ily s TYR 35 Ca -0.09 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.33 1ily s TYR 35 Cb -0.07 0.13 0.03 0.00 -0.11 0.00 0.00 41.96 41.94 1ily s TYR 35 CO -0.20 -0.41 -0.01 0.00 -1.11 0.00 0.00 175.55 173.82 1ily s ALA 36 N -1.31 0.76 -0.29 3.71 0.00 -0.84 0.66 121.76 124.45 1ily s ALA 36 Ca -0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1ily s ALA 36 Cb -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1ily s ALA 36 CO 0.05 -0.39 0.02 -0.65 0.00 0.00 0.00 175.76 174.78 1ily s GLN 37 N 1.80 2.81 -0.60 0.00 1.11 0.19 -2.00 119.66 122.97 1ily s GLN 37 Ca 0.03 -1.02 -0.18 0.00 0.01 0.00 0.00 55.36 54.19 1ily s GLN 37 Cb -0.13 -3.21 0.11 0.00 -1.01 0.00 0.00 33.01 28.78 1ily s GLN 37 CO -0.05 -0.49 0.68 0.42 0.01 0.00 0.00 175.29 175.86 1ily s ILE 38 N 1.38 4.91 0.27 1.08 -1.09 0.97 -0.44 121.20 128.29 1ily s ILE 38 Ca -0.00 -1.15 0.06 0.00 -2.23 0.00 0.00 60.65 57.32 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 -1.09 0.36 -0.63 -1.23 0.00 0.00 174.94 172.35 1ily s ILE 39 N 2.40 4.68 -0.42 2.92 1.09 -0.07 -1.77 121.20 130.04 1ily s ILE 39 Ca 0.10 -1.08 -0.19 0.00 -1.10 0.00 0.00 60.65 58.38 1ily s ILE 39 Cb -0.24 -3.62 0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1ily s ILE 39 CO 0.05 -0.27 0.56 -0.62 -0.10 0.00 0.00 174.94 174.55 1ily s ASP 40 N -4.01 6.28 -0.16 3.58 -1.08 0.25 0.24 116.67 121.76 1ily s ASP 40 Ca 0.37 -0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.00 1ily s ASP 40 Cb -0.09 -2.28 0.30 0.00 -1.46 0.00 0.00 42.92 39.39 1ily s ASP 40 CO 0.29 -0.68 1.29 -0.90 0.52 0.00 0.00 175.17 175.69 1ily n ASP 41 N 5.97 3.23 -0.06 -0.34 5.75 -1.26 -2.54 116.55 127.30 1ily n ASP 41 Ca -0.04 -2.60 -0.12 0.00 -0.01 0.00 0.00 54.79 52.02 1ily n ASP 41 Cb 0.48 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ily n GLU 42 N -0.07 0.26 -3.85 0.11 2.13 -1.26 -4.92 120.64 113.04 1ily n GLU 42 Ca 0.22 0.11 -0.26 0.00 0.66 0.00 0.00 57.16 57.88 1ily n GLU 42 Cb 0.90 -0.97 -0.17 0.00 0.27 0.00 0.00 31.44 31.47 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 -2.22 1.17 -0.82 5.31 3.01 -1.23 -5.04 119.74 119.91 1ily s LYS 43 Ca -0.17 -0.21 -0.11 0.00 -1.01 0.00 0.00 55.97 54.47 1ily s LYS 43 Cb 0.06 -1.52 -0.25 0.00 -1.01 0.00 0.00 37.83 35.10 1ily s LYS 43 CO 0.22 -0.34 2.03 0.41 0.51 0.00 0.00 175.35 178.18 1ily n GLY 44 N 5.00 -0.37 2.70 -3.33 0.00 -1.22 -4.47 105.19 103.50 1ily n GLY 44 Ca -0.10 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 3.25 0.26 -0.20 1.61 1.01 -1.05 -4.96 120.40 120.32 1ily s VAL 45 Ca 1.04 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 1ily s VAL 45 Cb -0.57 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1ily s VAL 45 CO 0.39 -0.11 1.21 -0.89 0.00 0.00 0.00 175.10 175.70 1ily s THR 46 N 1.99 4.36 -0.14 3.92 2.01 -1.26 0.85 115.64 127.38 1ily s THR 46 Ca 0.02 1.64 -0.13 0.00 0.31 0.00 0.00 61.69 63.52 1ily s THR 46 Cb -0.15 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1ily s THR 46 CO -0.07 -0.20 -0.26 0.18 -0.69 0.00 0.00 174.62 173.58 1ily n LEU 47 N 6.67 1.52 -4.33 4.42 4.32 -0.73 -4.95 117.00 123.93 1ily n LEU 47 Ca 0.13 0.30 -0.27 0.00 -0.02 0.00 0.00 56.01 56.15 1ily n LEU 47 Cb 0.45 -0.70 -0.13 0.00 -1.62 0.00 0.00 43.42 41.42 1ily n LEU 47 CO 0.56 -0.34 -0.54 -0.69 -1.22 0.00 0.00 177.39 175.16 1ily s VAL 48 N -2.45 1.97 -0.15 4.08 1.01 -0.98 -5.00 120.40 118.89 1ily s VAL 48 Ca -0.22 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 1ily s VAL 48 Cb 0.03 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1ily s VAL 48 CO 0.32 0.09 0.37 -0.94 0.00 0.00 0.00 175.10 174.93 1ily s SER 49 N -1.79 -0.44 0.21 3.32 1.04 -1.26 -0.02 113.70 114.76 1ily s SER 49 Ca 0.10 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.35 1ily s SER 49 Cb -0.10 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1ily s SER 49 CO 0.04 -0.18 0.01 0.00 0.98 0.00 0.00 173.24 174.10 1ily s ALA 50 N 1.25 1.62 -0.16 5.32 0.00 -0.85 -4.98 121.76 123.97 1ily s ALA 50 Ca -0.09 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.09 1ily s ALA 50 Cb -0.08 0.59 0.06 0.00 0.00 0.00 0.00 23.12 23.69 1ily s ALA 50 CO -0.10 -0.31 0.36 -1.12 0.00 0.00 0.00 175.76 174.59 1ily s SER 51 N -3.26 -0.31 0.02 0.00 0.01 -1.26 -1.99 113.70 106.91 1ily s SER 51 Ca 0.28 0.81 -0.15 0.00 1.31 0.00 0.00 55.95 58.20 1ily s SER 51 Cb 0.06 0.81 -0.08 0.00 0.21 0.00 0.00 66.02 67.02 1ily s SER 51 CO 0.08 -0.20 1.08 -1.28 0.41 0.00 0.00 173.24 173.32 1ily h SER 52 N 7.48 -0.45 -1.20 2.44 0.87 -1.89 0.72 113.55 121.53 1ily h SER 52 Ca -0.31 0.02 0.39 0.00 -1.23 0.00 0.00 61.79 60.65 1ily h SER 52 Cb 1.16 0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 63.10 1ily h SER 52 CO 0.26 -0.29 0.75 0.25 -0.53 0.00 0.00 176.83 177.27 1ily h LEU 53 N -0.60 0.33 0.03 2.23 7.12 -1.80 0.99 115.31 123.60 1ily h LEU 53 Ca -0.05 0.14 -0.07 0.00 0.13 0.00 0.00 57.88 58.04 1ily h LEU 53 Cb 0.41 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1ily h LEU 53 CO 0.09 -0.15 -0.31 0.00 -0.13 0.00 0.00 178.44 177.94 1ily h ALA 54 N 1.67 0.01 -0.86 1.25 0.00 -1.76 -3.30 119.26 116.27 1ily h ALA 54 Ca 0.77 -0.62 0.19 0.00 0.00 0.00 0.00 54.91 55.25 1ily h ALA 54 Cb 2.22 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 20.05 1ily h ALA 54 CO -0.45 0.16 0.57 -0.07 0.00 0.00 0.00 179.25 179.46 1ily h LEU 55 N -0.85 0.40 0.00 0.00 -0.00 0.28 -3.43 115.31 111.70 1ily h LEU 55 Ca -0.07 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1ily h LEU 55 Cb 1.18 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1ily h LEU 55 CO 0.01 0.17 0.00 2.29 -0.00 0.00 0.00 178.44 180.92 1ily n LYS 56 N -4.49 0.00 -1.16 1.13 2.85 -0.07 -5.06 118.16 111.36 1ily n LYS 56 Ca 0.18 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.07 1ily n LYS 56 Cb 0.65 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 35.08 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 -1.74 0.05 -5.58 4.77 -0.55 -4.94 117.00 109.02 1ily n LEU 57 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1ily n LEU 57 Cb 0.00 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1ily n LEU 57 CO 0.00 -4.16 -0.13 0.29 -1.33 0.00 0.00 177.39 172.06 1ily n LYS 58 N 0.37 0.00 -0.36 3.23 5.02 -1.26 -4.46 118.16 120.70 1ily n LYS 58 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1ily n LYS 58 Cb 0.51 -0.32 0.02 0.00 -0.02 0.00 0.00 35.03 35.22 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ily n GLY 59 N 2.67 0.81 0.00 0.72 0.00 -1.26 -5.04 105.19 103.09 1ily n GLY 59 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.23 1.33 0.02 1.61 4.13 -1.26 -5.09 115.26 115.77 1ily n ASN 60 Ca 0.02 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.41 1ily n ASN 60 Cb 0.66 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 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 -0.30 0.00 -0.39 3.52 2.85 -1.26 -4.91 118.16 117.67 1ily n LYS 61 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1ily n LYS 61 Cb 0.00 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.60 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 -2.61 1.16 -0.09 0.58 -2.24 -1.26 -3.10 114.28 106.72 1ily n THR 62 Ca 0.00 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 1ily n THR 62 Cb 0.00 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.56 0.51 0.03 -0.78 2.13 -1.26 -4.60 120.64 117.23 1ily n GLU 63 Ca 0.16 0.41 0.11 0.00 0.66 0.00 0.00 57.16 58.50 1ily n GLU 63 Cb 0.61 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 -4.50 0.20 -0.22 6.31 0.31 -1.26 -4.45 118.33 114.72 1ily n VAL 64 Ca -0.18 -0.29 0.19 0.00 -0.01 0.00 0.00 64.34 64.04 1ily n VAL 64 Cb 0.48 0.14 0.35 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 -1.90 0.61 0.33 3.52 0.00 -1.18 0.14 120.51 122.03 1ily n ALA 65 Ca 0.01 0.69 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 1ily n ALA 65 Cb 0.46 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.84 -0.35 0.00 2.43 -1.68 -0.42 114.38 113.53 1ily h ARG 66 Ca 0.53 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.86 1ily h ARG 66 Cb 1.35 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1ily h ARG 66 CO -0.54 -0.54 0.59 1.96 -1.51 0.00 0.00 179.97 179.93 1ily h GLN 67 N -1.20 0.00 0.07 0.20 4.20 0.95 1.96 115.11 121.29 1ily h GLN 67 Ca -0.09 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1ily h GLN 67 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ily h GLN 67 CO 0.15 0.00 -1.16 -0.24 -0.67 0.00 0.00 178.83 176.90 1ily h VAL 68 N 0.00 1.57 0.00 -0.54 3.04 0.66 -2.16 116.25 118.83 1ily h VAL 68 Ca 0.17 -3.20 -0.16 0.00 -1.01 0.00 0.00 66.70 62.49 1ily h VAL 68 Cb 1.35 2.89 -0.02 0.00 -2.01 0.00 0.00 31.29 33.50 1ily h VAL 68 CO -0.00 0.92 -0.76 1.23 -1.01 0.00 0.00 177.57 177.95 1ily h GLY 69 N 2.23 0.00 1.35 3.17 0.00 0.45 -0.93 103.07 109.34 1ily h GLY 69 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 1ily h GLY 69 CO 0.17 0.00 -0.80 0.07 0.00 0.00 0.00 176.54 175.98 1ily h ARG 70 N 0.00 0.63 -0.13 4.80 -0.00 0.06 0.86 114.38 120.59 1ily h ARG 70 Ca -0.01 -0.54 -0.17 0.00 -0.00 0.00 0.00 59.98 59.27 1ily h ARG 70 Cb 1.49 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.57 1ily h ARG 70 CO 0.10 1.16 -0.62 0.00 -0.00 0.00 0.00 179.97 180.61 1ily h ALA 71 N 0.68 0.68 0.24 0.08 0.00 -1.39 0.53 119.26 120.09 1ily h ALA 71 Ca -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ily h ALA 71 Cb 1.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ily h ALA 71 CO 0.15 0.71 -0.11 1.25 0.00 0.00 0.00 179.25 181.25 1ily h LEU 72 N 0.34 -0.27 -2.04 0.00 5.85 -1.03 0.28 115.31 118.44 1ily h LEU 72 Ca -0.01 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1ily h LEU 72 Cb 1.16 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ily h LEU 72 CO 0.11 0.12 -0.09 0.00 -0.34 0.00 0.00 178.44 178.24 1ily h ALA 73 N -0.08 1.48 -0.00 1.25 0.00 0.64 0.66 119.26 123.20 1ily h ALA 73 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1ily h ALA 73 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ily h ALA 73 CO 0.05 0.11 -0.87 0.93 0.00 0.00 0.00 179.25 179.47 1ily h GLU 74 N 0.00 0.21 0.04 0.00 3.07 0.35 -1.65 114.58 116.61 1ily h GLU 74 Ca -0.00 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1ily h GLU 74 Cb 0.21 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1ily h GLU 74 CO 0.01 0.96 -0.02 0.87 -1.40 0.00 0.00 179.01 179.43 1ily h LYS 75 N 0.12 -0.05 -0.96 2.33 1.57 0.22 -2.89 116.57 116.92 1ily h LYS 75 Ca -0.04 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.04 1ily h LYS 75 Cb 1.49 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.66 1ily h LYS 75 CO 0.13 -0.04 0.39 0.00 -0.57 0.00 0.00 179.45 179.37 1ily h ALA 76 N -1.91 1.68 -1.01 3.86 0.00 0.05 1.16 119.26 123.09 1ily h ALA 76 Ca -0.01 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1ily h ALA 76 Cb 0.04 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1ily h ALA 76 CO 0.01 -0.60 0.65 -0.07 0.00 0.00 0.00 179.25 179.24 1ily h LEU 77 N 0.20 1.02 -1.98 0.00 3.38 -1.38 0.00 115.31 116.55 1ily h LEU 77 Ca 0.68 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.74 1ily h LEU 77 Cb 1.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1ily h LEU 77 CO -0.69 0.63 0.40 0.00 0.09 0.00 0.00 178.44 178.88 1ily h ALA 78 N 1.47 1.85 0.00 1.53 0.00 0.16 1.03 119.26 125.30 1ily h ALA 78 Ca 0.45 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 1ily h ALA 78 Cb 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1ily h ALA 78 CO -0.19 -0.54 -1.53 -0.07 0.00 0.00 0.00 179.25 176.92 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.00 -3.48 115.31 114.21 1ily h LEU 79 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ily h LEU 79 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ily h LEU 79 CO -0.00 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1ily n GLY 80 N 1.47 1.40 3.56 0.83 0.00 0.36 -5.05 105.19 107.76 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 3.67 -0.14 -0.61 1.09 -0.97 -4.84 121.20 117.40 1ily s ILE 81 Ca 0.00 0.50 -0.08 0.00 -1.10 0.00 0.00 60.65 59.97 1ily s ILE 81 Cb 0.00 -4.41 -0.04 0.00 -1.06 0.00 0.00 42.46 36.95 1ily s ILE 81 CO 0.00 -1.24 -0.11 0.50 -0.10 0.00 0.00 174.94 173.98 1ily h LYS 82 N 11.75 0.00 -6.22 2.79 3.64 -1.90 -3.38 116.57 123.25 1ily h LYS 82 Ca -0.27 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.46 1ily h LYS 82 Cb 1.10 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.81 1ily h LYS 82 CO 1.20 0.06 -0.63 -0.65 -2.27 0.00 0.00 179.45 177.16 1ily s GLN 83 N -2.12 2.75 0.09 1.90 -1.52 -1.26 0.16 119.66 119.67 1ily s GLN 83 Ca -0.13 -0.71 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1ily s GLN 83 Cb 0.02 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.12 1ily s GLN 83 CO 0.20 0.58 -0.07 0.08 -0.25 0.00 0.00 175.29 175.83 1ily s VAL 84 N -1.26 0.71 -0.51 1.09 1.01 -0.21 -2.78 120.40 118.45 1ily s VAL 84 Ca 0.25 -1.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.23 1ily s VAL 84 Cb -0.12 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.79 1ily s VAL 84 CO 0.17 -0.81 0.45 0.00 0.00 0.00 0.00 175.10 174.90 1ily s ALA 85 N -3.36 3.59 -0.36 5.51 0.00 0.15 -4.04 121.76 123.25 1ily s ALA 85 Ca 0.10 -2.38 -0.28 0.00 0.00 0.00 0.00 51.96 49.39 1ily s ALA 85 Cb 0.03 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.02 1ily s ALA 85 CO -0.04 -1.90 1.03 0.12 0.00 0.00 0.00 175.76 174.97 1ily s PHE 86 N 1.59 3.08 -0.38 0.00 5.36 -1.26 -0.27 117.98 126.10 1ily s PHE 86 Ca 0.04 0.99 0.12 0.00 -0.96 0.00 0.00 56.93 57.11 1ily s PHE 86 Cb -0.28 -3.77 0.37 0.00 -0.34 0.00 0.00 43.02 39.01 1ily s PHE 86 CO 0.04 -0.85 0.94 -0.25 -1.46 0.00 0.00 175.22 173.64 1ily n ASP 87 N 6.96 -0.07 -0.33 6.13 8.00 -1.17 -4.97 116.55 131.09 1ily n ASP 87 Ca 0.10 -3.04 0.24 0.00 0.71 0.00 0.00 54.79 52.80 1ily n ASP 87 Cb 0.48 0.17 0.47 0.00 -0.02 0.00 0.00 41.12 42.21 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1ily h ARG 88 N 2.89 0.30 0.00 -1.24 -0.00 -1.89 -3.47 114.38 110.96 1ily h ARG 88 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1ily h ARG 88 Cb 1.08 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.99 1ily h ARG 88 CO 0.35 0.20 0.00 0.41 -0.00 0.00 0.00 179.97 180.93 1ily n GLY 89 N -1.29 1.03 1.48 0.08 0.00 -1.26 -4.61 105.19 100.63 1ily n GLY 89 Ca 0.32 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 1.80 -3.29 1.61 -0.04 -1.26 -4.92 135.00 128.90 1ily n PRO 90 Ca 0.00 -1.38 -0.21 0.00 -0.04 0.00 0.00 63.50 61.87 1ily n PRO 90 Cb 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.56 3.22 0.07 0.54 1.51 -1.26 -5.12 117.35 114.74 1ily s TYR 91 Ca 0.26 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 1ily s TYR 91 Cb 0.21 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1ily s TYR 91 CO 0.05 -0.12 -0.13 -1.59 -1.11 0.00 0.00 175.55 172.66 1ily s LYS 92 N -4.34 0.76 -0.79 -0.62 -2.85 -1.26 -5.04 119.74 105.60 1ily s LYS 92 Ca 0.45 -0.93 -0.24 0.00 -1.00 0.00 0.00 55.97 54.26 1ily s LYS 92 Cb -0.10 -0.70 -0.18 0.00 -2.06 0.00 0.00 37.83 34.80 1ily s LYS 92 CO 0.34 0.15 2.43 0.98 0.10 0.00 0.00 175.35 179.36 1ily n TYR 93 N 1.27 0.87 -4.26 1.78 9.36 -1.26 -4.88 117.16 120.05 1ily n TYR 93 Ca -0.21 0.12 -0.25 0.00 3.32 0.00 0.00 57.90 60.88 1ily n TYR 93 Cb 0.54 -2.15 -0.08 0.00 -0.63 0.00 0.00 39.34 37.02 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 9.73 2.58 0.38 2.98 2.46 -1.26 -4.98 115.29 127.18 1ily s HIS 94 Ca 1.13 -0.59 0.20 0.00 0.47 0.00 0.00 55.06 56.26 1ily s HIS 94 Cb -0.56 -1.88 1.21 0.00 -0.13 0.00 0.00 32.58 31.22 1ily s HIS 94 CO 0.33 0.27 1.66 0.78 -2.47 0.00 0.00 174.74 175.31 1ily h GLY 95 N 1.53 1.73 0.00 1.59 0.00 -1.99 -1.60 103.07 104.33 1ily h GLY 95 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1ily h GLY 95 CO 0.72 -0.44 0.00 0.54 0.00 0.00 0.00 176.54 177.37 1ily n ARG 96 N -4.90 0.00 -0.29 4.80 5.12 -1.26 -2.09 116.66 118.04 1ily n ARG 96 Ca 0.33 0.47 0.25 0.00 -1.93 0.00 0.00 57.85 56.96 1ily n ARG 96 Cb 1.12 -1.41 0.46 0.00 -1.16 0.00 0.00 32.46 31.48 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 -1.91 -0.38 0.00 1.55 0.31 -0.83 0.13 118.33 117.21 1ily n VAL 97 Ca 0.00 1.86 0.00 0.00 -0.01 0.00 0.00 64.34 66.19 1ily n VAL 97 Cb 0.00 -2.94 0.00 0.00 -0.91 0.00 0.00 33.84 29.99 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 -5.10 0.00 -0.20 5.55 5.02 -0.67 0.58 118.16 123.34 1ily n LYS 98 Ca 0.31 0.23 0.03 0.00 -2.02 0.00 0.00 58.31 56.85 1ily n LYS 98 Cb 1.03 -1.19 0.29 0.00 -0.02 0.00 0.00 35.03 35.14 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 -1.97 1.56 -0.11 7.82 0.00 -0.74 -1.77 119.26 124.04 1ily h ALA 99 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ily h ALA 99 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ily h ALA 99 CO 0.00 0.37 -0.04 1.25 0.00 0.00 0.00 179.25 180.83 1ily h LEU 100 N 0.91 0.23 -1.60 0.00 6.46 0.10 -2.25 115.31 119.16 1ily h LEU 100 Ca 0.30 -0.39 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1ily h LEU 100 Cb 0.05 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1ily h LEU 100 CO -0.08 0.56 -0.04 0.00 -0.62 0.00 0.00 178.44 178.26 1ily h ALA 101 N 0.67 1.68 -0.26 1.25 0.00 0.46 -0.56 119.26 122.50 1ily h ALA 101 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 101 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ily h ALA 101 CO 0.01 0.24 -0.19 1.05 0.00 0.00 0.00 179.25 180.37 1ily h GLU 102 N 0.20 0.58 -0.08 0.00 4.11 -1.23 0.55 114.58 118.71 1ily h GLU 102 Ca 0.05 -0.28 0.04 0.00 0.07 0.00 0.00 59.36 59.23 1ily h GLU 102 Cb 0.21 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1ily h GLU 102 CO 0.01 0.86 -0.44 0.78 0.07 0.00 0.00 179.01 180.29 1ily h GLY 103 N 0.31 -0.80 1.85 1.06 0.00 -0.74 8.26 103.07 113.01 1ily h GLY 103 Ca 0.05 0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 1ily h GLY 103 CO 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 176.54 176.29 1ily h ALA 104 N -0.01 1.66 0.00 3.60 0.00 0.65 1.24 119.26 126.40 1ily h ALA 104 Ca 0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 104 Cb 0.65 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ily h ALA 104 CO -0.37 0.26 -1.38 0.00 0.00 0.00 0.00 179.25 177.75 1ily h ARG 105 N 0.18 0.00 0.09 0.00 3.08 0.17 0.38 114.38 118.29 1ily h ARG 105 Ca 0.04 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 1ily h ARG 105 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ily h ARG 105 CO 0.01 0.29 -1.34 1.05 -1.07 0.00 0.00 179.97 178.91 1ily h GLU 106 N 0.00 0.19 -0.08 0.04 4.11 1.81 -3.35 114.58 117.30 1ily h GLU 106 Ca -0.16 -0.32 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 1ily h GLU 106 Cb 1.57 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 1ily h GLU 106 CO 0.05 1.08 -0.13 0.78 0.07 0.00 0.00 179.01 180.85 1ily h GLY 107 N 2.06 0.26 0.00 1.06 0.00 0.14 -3.48 103.07 103.12 1ily h GLY 107 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ily h GLY 107 CO 0.16 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1ily n GLY 108 N 0.37 0.07 3.77 4.60 0.00 -1.14 -4.73 105.19 108.13 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 4.05 -0.43 0.99 1.02 0.13 -4.67 118.68 119.77 1ily s LEU 109 Ca 0.00 2.24 0.02 0.00 0.02 0.00 0.00 54.13 56.41 1ily s LEU 109 Cb 0.00 -4.22 0.13 0.00 0.02 0.00 0.00 46.19 42.12 1ily s LEU 109 CO 0.00 -0.80 0.21 -1.61 0.02 0.00 0.00 176.35 174.17 1ily s GLU 110 N -2.63 1.34 0.00 1.70 8.01 0.43 -3.65 118.70 123.90 1ily s GLU 110 Ca 0.62 -1.99 0.00 0.00 0.01 0.00 0.00 54.97 53.61 1ily s GLU 110 Cb -0.27 -2.52 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 1ily s GLU 110 CO 0.33 -1.12 0.40 1.97 0.01 0.00 0.00 175.26 176.85