#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 1.89 -0.22 6.15 1.02 -1.26 0.11 118.68 126.37 1ily s LEU 23 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.74 1ily s LEU 23 Cb 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 1ily s LEU 23 CO 0.00 0.14 0.06 -0.60 0.02 0.00 0.00 176.35 175.97 1ily s ARG 24 N 0.09 3.79 0.11 1.70 3.52 0.15 0.36 118.95 128.66 1ily s ARG 24 Ca -0.05 -0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 54.97 1ily s ARG 24 Cb -0.12 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.95 1ily s ARG 24 CO 0.02 0.02 0.53 -1.17 -0.81 0.00 0.00 175.30 173.90 1ily s LEU 25 N 1.04 4.41 -0.20 -0.88 0.20 0.17 -1.10 118.68 122.31 1ily s LEU 25 Ca 0.04 1.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.92 1ily s LEU 25 Cb -0.14 -3.07 0.09 0.00 -0.43 0.00 0.00 46.19 42.64 1ily s LEU 25 CO 0.03 0.18 0.22 -0.44 -0.29 0.00 0.00 176.35 176.05 1ily s SER 26 N -1.48 1.37 -0.25 3.68 0.01 0.15 -2.22 113.70 114.97 1ily s SER 26 Ca 0.33 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1ily s SER 26 Cb -0.16 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.40 1ily s SER 26 CO 0.18 -0.33 0.15 0.54 0.41 0.00 0.00 173.24 174.20 1ily s VAL 27 N 2.33 5.21 0.14 3.43 0.11 -1.26 0.44 120.40 130.79 1ily s VAL 27 Ca 0.07 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1ily s VAL 27 Cb -0.16 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1ily s VAL 27 CO -0.12 0.33 0.26 0.12 -3.33 0.00 0.00 175.10 172.36 1ily s PHE 28 N 1.22 3.46 -0.18 1.54 5.36 0.23 -4.88 117.98 124.73 1ily s PHE 28 Ca 0.07 0.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.10 1ily s PHE 28 Cb -0.14 -1.67 0.09 0.00 -0.34 0.00 0.00 43.02 40.96 1ily s PHE 28 CO 0.06 0.53 0.36 1.03 -1.46 0.00 0.00 175.22 175.73 1ily s ARG 29 N -3.12 0.27 -0.16 10.12 0.52 -1.26 -1.11 118.95 124.21 1ily s ARG 29 Ca 0.34 0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 56.28 1ily s ARG 29 Cb -0.11 0.11 -0.23 0.00 0.52 0.00 0.00 34.95 35.23 1ily s ARG 29 CO 0.28 -0.31 0.34 1.03 0.02 0.00 0.00 175.30 176.66 1ily h SER 30 N 8.21 0.22 0.00 0.23 0.87 -1.99 -3.49 113.55 117.60 1ily h SER 30 Ca -0.16 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 1ily h SER 30 Cb 1.12 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1ily h SER 30 CO 0.14 1.64 0.00 -0.11 -0.53 0.00 0.00 176.83 177.98 1ily n LEU 31 N -4.00 0.00 -0.61 2.23 7.94 -1.26 -4.92 117.00 116.38 1ily n LEU 31 Ca -0.31 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.67 1ily n LEU 31 Cb 0.85 0.00 0.20 0.00 0.53 0.00 0.00 43.42 45.00 1ily n LEU 31 CO 0.32 0.00 0.63 0.29 -1.11 0.00 0.00 177.39 177.52 1ily n LYS 32 N 0.00 2.06 -4.62 1.96 5.02 -1.26 -5.01 118.16 116.30 1ily n LYS 32 Ca 0.00 -2.84 -0.28 0.00 -2.02 0.00 0.00 58.31 53.17 1ily n LYS 32 Cb 0.00 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.94 2.17 -0.26 2.13 3.76 -1.26 -4.24 115.29 114.65 1ily s HIS 33 Ca 0.39 -0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 54.27 1ily s HIS 33 Cb 0.33 -1.60 0.07 0.00 1.11 0.00 0.00 32.58 32.50 1ily s HIS 33 CO 0.04 0.25 0.64 -1.50 -0.85 0.00 0.00 174.74 173.32 1ily s ILE 34 N -2.90 -0.00 -0.02 0.60 1.10 -1.26 -4.20 121.20 114.52 1ily s ILE 34 Ca 0.26 0.01 -0.12 0.00 -0.51 0.00 0.00 60.65 60.29 1ily s ILE 34 Cb 0.07 -0.92 0.02 0.00 0.15 0.00 0.00 42.46 41.77 1ily s ILE 34 CO 0.13 0.01 0.27 -0.31 -2.11 0.00 0.00 174.94 172.92 1ily s TYR 35 N 1.26 -0.14 -0.08 3.50 1.51 -0.26 -3.44 117.35 119.70 1ily s TYR 35 Ca -0.07 0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1ily s TYR 35 Cb -0.05 0.06 0.03 0.00 -0.11 0.00 0.00 41.96 41.89 1ily s TYR 35 CO -0.13 -0.34 -0.02 0.00 -1.11 0.00 0.00 175.55 173.95 1ily s ALA 36 N -1.15 0.82 -0.29 3.71 0.00 0.06 0.76 121.76 125.66 1ily s ALA 36 Ca -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1ily s ALA 36 Cb -0.05 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.36 1ily s ALA 36 CO 0.03 -0.39 0.03 -1.14 0.00 0.00 0.00 175.76 174.29 1ily s GLN 37 N 1.78 2.78 -0.48 0.00 0.74 0.17 -1.82 119.66 122.83 1ily s GLN 37 Ca 0.03 -1.04 -0.17 0.00 0.05 0.00 0.00 55.36 54.23 1ily s GLN 37 Cb -0.13 -3.25 0.07 0.00 1.10 0.00 0.00 33.01 30.81 1ily s GLN 37 CO -0.05 -0.52 0.46 0.42 -0.55 0.00 0.00 175.29 175.06 1ily s ILE 38 N 1.38 5.13 0.26 -2.34 -1.09 0.34 -0.67 121.20 124.20 1ily s ILE 38 Ca -0.01 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1ily s ILE 38 Cb -0.18 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1ily s ILE 38 CO -0.00 -0.64 0.13 -0.63 -1.23 0.00 0.00 174.94 172.57 1ily s ILE 39 N 1.93 4.10 -0.32 2.92 1.09 -0.26 -1.35 121.20 129.30 1ily s ILE 39 Ca 0.07 -1.57 -0.22 0.00 -1.10 0.00 0.00 60.65 57.83 1ily s ILE 39 Cb -0.23 -3.21 -0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1ily s ILE 39 CO 0.08 -0.36 0.70 -0.62 -0.10 0.00 0.00 174.94 174.65 1ily s ASP 40 N -3.79 6.54 -0.17 3.58 -1.08 0.26 0.31 116.67 122.33 1ily s ASP 40 Ca 0.32 0.43 0.07 0.00 -0.52 0.00 0.00 52.55 52.86 1ily s ASP 40 Cb -0.07 -2.36 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 1ily s ASP 40 CO 0.23 -0.58 1.31 -0.67 0.52 0.00 0.00 175.17 175.98 1ily n ASP 41 N 6.10 3.72 -0.07 -0.34 2.03 0.30 -2.55 116.55 125.74 1ily n ASP 41 Ca 0.01 -2.65 -0.13 0.00 0.52 0.00 0.00 54.79 52.55 1ily n ASP 41 Cb 0.48 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1ily n ASP 41 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ily n GLU 42 N 0.17 0.30 -3.81 -0.67 0.28 -1.07 -4.67 120.64 111.17 1ily n GLU 42 Ca 0.21 0.11 -0.25 0.00 -0.16 0.00 0.00 57.16 57.07 1ily n GLU 42 Cb 0.90 -1.08 -0.17 0.00 1.43 0.00 0.00 31.44 32.52 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 -2.26 0.94 -0.73 3.44 -0.14 -1.24 -5.04 119.74 114.72 1ily s LYS 43 Ca -0.19 -0.12 -0.13 0.00 -1.36 0.00 0.00 55.97 54.18 1ily s LYS 43 Cb 0.06 -1.38 -0.21 0.00 -1.68 0.00 0.00 37.83 34.63 1ily s LYS 43 CO 0.26 -0.35 1.93 0.41 -0.76 0.00 0.00 175.35 176.85 1ily n GLY 44 N 5.05 -0.31 2.74 -3.33 0.00 -1.20 -4.37 105.19 103.78 1ily n GLY 44 Ca -0.09 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1ily n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ily s VAL 45 N 5.20 0.48 -0.28 1.61 1.01 -1.06 -4.93 120.40 122.43 1ily s VAL 45 Ca 0.87 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1ily s VAL 45 Cb -0.40 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1ily s VAL 45 CO 0.29 -0.09 1.49 -0.89 0.00 0.00 0.00 175.10 175.90 1ily s THR 46 N 1.89 3.86 -0.16 3.92 2.01 -1.26 0.91 115.64 126.81 1ily s THR 46 Ca 0.01 0.95 -0.12 0.00 0.31 0.00 0.00 61.69 62.83 1ily s THR 46 Cb -0.16 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 1ily s THR 46 CO -0.07 -0.43 -0.07 -0.07 -0.69 0.00 0.00 174.62 173.29 1ily h LEU 47 N 11.64 0.00 -8.45 4.42 4.07 -1.55 -3.48 115.31 121.96 1ily h LEU 47 Ca -0.30 -0.14 -0.37 0.00 0.08 0.00 0.00 57.88 57.15 1ily h LEU 47 Cb 1.13 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.67 1ily h LEU 47 CO 1.03 0.95 -0.76 -0.69 -1.08 0.00 0.00 178.44 177.89 1ily s VAL 48 N -2.26 1.05 -0.18 1.22 1.01 -0.97 -5.02 120.40 115.25 1ily s VAL 48 Ca -0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.25 1ily s VAL 48 Cb 0.03 -1.23 0.08 0.00 0.00 0.00 0.00 36.38 35.27 1ily s VAL 48 CO 0.32 -0.39 0.36 -0.94 0.00 0.00 0.00 175.10 174.45 1ily s SER 49 N -2.11 -0.02 0.06 3.32 1.04 -1.26 -0.51 113.70 114.22 1ily s SER 49 Ca 0.02 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.33 1ily s SER 49 Cb -0.07 1.12 -0.03 0.00 0.10 0.00 0.00 66.02 67.15 1ily s SER 49 CO 0.02 -0.24 -0.15 0.00 0.98 0.00 0.00 173.24 173.85 1ily s ALA 50 N 2.54 1.26 -0.14 5.32 0.00 -0.76 -4.98 121.76 125.01 1ily s ALA 50 Ca -0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1ily s ALA 50 Cb -0.12 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1ily s ALA 50 CO -0.11 0.21 0.37 -1.54 0.00 0.00 0.00 175.76 174.69 1ily s SER 51 N -1.56 -0.39 0.03 0.00 1.04 -1.26 -0.76 113.70 110.79 1ily s SER 51 Ca 0.00 0.75 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 1ily s SER 51 Cb -0.09 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1ily s SER 51 CO 0.02 -0.13 1.14 -1.28 0.98 0.00 0.00 173.24 173.98 1ily h SER 52 N 5.56 -0.42 0.00 7.02 0.87 -1.82 -0.47 113.55 124.30 1ily h SER 52 Ca -0.27 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1ily h SER 52 Cb 1.18 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1ily h SER 52 CO 0.27 -0.14 0.04 0.00 -0.53 0.00 0.00 176.83 176.47 1ily n LEU 53 N -3.24 0.00 0.20 2.23 -0.00 0.27 -2.75 117.00 113.71 1ily n LEU 53 Ca -0.02 0.44 -0.08 0.00 -0.00 0.00 0.00 56.01 56.35 1ily n LEU 53 Cb 0.11 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 1ily n LEU 53 CO 0.04 -0.44 0.29 0.00 -0.00 0.00 0.00 177.39 177.28 1ily h ALA 54 N 1.82 -0.70 -0.25 1.47 0.00 -1.29 -3.34 119.26 116.98 1ily h ALA 54 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ily h ALA 54 Cb 0.09 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 54 CO 0.00 -0.66 -0.18 -0.07 0.00 0.00 0.00 179.25 178.35 1ily h LEU 55 N -0.89 -0.58 0.00 0.00 4.07 -1.42 -3.46 115.31 113.04 1ily h LEU 55 Ca -0.06 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1ily h LEU 55 Cb 0.42 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1ily h LEU 55 CO 0.09 -0.22 0.00 1.17 -1.08 0.00 0.00 178.44 178.41 1ily n LYS 56 N -5.34 0.00 -2.80 1.13 4.81 -1.24 -5.12 118.16 109.61 1ily n LYS 56 Ca -0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 1ily n LYS 56 Cb 0.25 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.26 1ily n LYS 56 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1ily s LEU 57 N 0.00 4.04 0.14 3.14 2.34 -1.23 -4.89 118.68 122.21 1ily s LEU 57 Ca 0.00 0.93 -0.30 0.00 0.06 0.00 0.00 54.13 54.81 1ily s LEU 57 Cb 0.00 -3.31 -0.07 0.00 -0.56 0.00 0.00 46.19 42.25 1ily s LEU 57 CO 0.00 -0.70 1.26 -0.75 -1.06 0.00 0.00 176.35 175.10 1ily s LYS 58 N 3.21 4.42 -0.40 1.48 2.20 -1.26 -0.57 119.74 128.82 1ily s LYS 58 Ca 0.39 1.92 -0.28 0.00 -0.36 0.00 0.00 55.97 57.64 1ily s LYS 58 Cb -0.14 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1ily s LYS 58 CO 0.12 -0.24 1.87 0.20 -0.36 0.00 0.00 175.35 176.94 1ily s GLY 59 N 0.63 0.57 -0.11 5.54 0.00 -1.26 -4.76 107.32 107.93 1ily s GLY 59 Ca 0.58 0.05 0.15 0.00 0.00 0.00 0.00 44.72 45.50 1ily s GLY 59 CO 0.33 3.38 0.42 0.70 0.00 0.00 0.00 173.10 177.93 1ily n ASN 60 N 11.26 0.52 -0.17 1.64 4.13 -1.26 -4.35 115.26 127.02 1ily n ASN 60 Ca 0.23 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.74 1ily n ASN 60 Cb 0.48 0.37 0.00 0.00 -1.54 0.00 0.00 39.78 39.09 1ily n ASN 60 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1ily n LYS 61 N -2.92 0.00 -1.26 3.52 2.85 -1.26 -5.02 118.16 114.07 1ily n LYS 61 Ca -0.24 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.82 1ily n LYS 61 Cb 1.10 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.39 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 0.00 3.14 -0.10 0.58 -2.24 -1.26 -4.34 114.28 110.06 1ily n THR 62 Ca 0.00 -2.33 -0.16 0.00 -2.27 0.00 0.00 64.05 59.29 1ily n THR 62 Cb 0.00 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 66.46 1ily n THR 62 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ily n GLU 63 N 1.40 0.53 0.05 -0.78 1.02 -1.26 -4.60 120.64 117.00 1ily n GLU 63 Ca 0.44 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 58.11 1ily n GLU 63 Cb 0.67 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ily n VAL 64 N -4.45 0.32 -0.18 2.62 0.31 -1.26 -4.45 118.33 111.23 1ily n VAL 64 Ca -0.26 -0.45 0.14 0.00 -0.01 0.00 0.00 64.34 63.76 1ily n VAL 64 Cb 0.57 -0.09 0.26 0.00 -0.91 0.00 0.00 33.84 33.67 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 0.46 0.35 3.52 0.00 -1.26 0.16 120.51 121.63 1ily n ALA 65 Ca -0.01 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.87 1ily n ALA 65 Cb 0.52 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.88 -0.45 0.00 2.43 -1.66 0.69 114.38 114.51 1ily h ARG 66 Ca 0.42 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.78 1ily h ARG 66 Cb 1.04 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1ily h ARG 66 CO -0.46 -0.59 0.64 1.96 -1.51 0.00 0.00 179.97 180.01 1ily h GLN 67 N -1.21 0.00 0.06 0.20 4.20 0.13 2.15 115.11 120.64 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 0.70 0.00 -0.02 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 0.00 178.83 176.88 1ily h VAL 68 N 0.00 1.52 0.00 -0.54 3.04 0.68 -2.38 116.25 118.57 1ily h VAL 68 Ca 0.21 -3.18 -0.12 0.00 -1.01 0.00 0.00 66.70 62.59 1ily h VAL 68 Cb 1.49 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 33.60 1ily h VAL 68 CO -0.00 0.90 -0.59 1.23 -1.01 0.00 0.00 177.57 178.09 1ily h GLY 69 N 2.39 0.00 1.35 3.17 0.00 0.57 -0.88 103.07 109.66 1ily h GLY 69 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.96 1ily h GLY 69 CO 0.16 0.00 -1.15 0.07 0.00 0.00 0.00 176.54 175.62 1ily h ARG 70 N 0.00 0.55 -0.14 4.80 -0.00 -0.24 0.90 114.38 120.25 1ily h ARG 70 Ca -0.01 -0.70 -0.12 0.00 -0.00 0.00 0.00 59.98 59.16 1ily h ARG 70 Cb 1.33 0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 31.51 1ily h ARG 70 CO 0.08 1.29 -0.44 0.00 -0.00 0.00 0.00 179.97 180.91 1ily h ALA 71 N 0.44 1.01 0.08 0.08 0.00 -1.43 0.63 119.26 120.07 1ily h ALA 71 Ca -0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ily h ALA 71 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ily h ALA 71 CO 0.21 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.30 1ily h LEU 72 N 0.27 -0.10 -2.26 0.00 6.46 -1.07 0.04 115.31 118.65 1ily h LEU 72 Ca 0.02 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 1ily h LEU 72 Cb 0.88 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1ily h LEU 72 CO 0.07 0.48 -0.05 0.00 -0.62 0.00 0.00 178.44 178.32 1ily h ALA 73 N 0.06 1.28 0.00 1.25 0.00 0.80 0.57 119.26 123.22 1ily h ALA 73 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1ily h ALA 73 Cb 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ily h ALA 73 CO 0.02 0.07 -0.89 0.93 0.00 0.00 0.00 179.25 179.37 1ily h GLU 74 N 0.00 0.00 0.05 0.00 5.08 0.43 -1.61 114.58 118.53 1ily h GLU 74 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ily h GLU 74 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ily h GLU 74 CO 0.01 0.89 -0.03 0.87 -1.00 0.00 0.00 179.01 179.75 1ily h LYS 75 N 0.00 -0.07 -0.95 2.33 1.57 0.17 -2.87 116.57 116.76 1ily h LYS 75 Ca -0.01 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.06 1ily h LYS 75 Cb 1.58 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.75 1ily h LYS 75 CO 0.12 -0.05 0.38 0.00 -0.57 0.00 0.00 179.45 179.33 1ily h ALA 76 N -1.85 1.62 -0.93 3.86 0.00 -0.22 1.26 119.26 123.00 1ily h ALA 76 Ca -0.01 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1ily h ALA 76 Cb 0.06 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1ily h ALA 76 CO 0.01 -0.55 0.60 -0.07 0.00 0.00 0.00 179.25 179.24 1ily h LEU 77 N 0.23 0.92 -2.13 0.00 3.38 -1.38 0.32 115.31 116.66 1ily h LEU 77 Ca 0.65 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ily h LEU 77 CO -0.66 0.58 0.31 0.00 0.09 0.00 0.00 178.44 178.76 1ily h ALA 78 N 1.50 1.65 0.00 1.53 0.00 0.19 0.98 119.26 125.11 1ily h ALA 78 Ca 0.41 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 1ily h ALA 78 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1ily h ALA 78 CO -0.16 -0.40 -1.46 -0.07 0.00 0.00 0.00 179.25 177.17 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.91 -3.48 115.31 114.30 1ily h LEU 79 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ily h LEU 79 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ily h LEU 79 CO -0.00 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1ily n GLY 80 N 1.44 1.37 3.57 0.83 0.00 0.34 -5.06 105.19 107.68 1ily n GLY 80 Ca -0.11 0.00 -0.42 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 3.78 -0.16 -0.61 1.09 -0.97 -4.84 121.20 117.49 1ily s ILE 81 Ca 0.00 0.66 -0.13 0.00 -1.10 0.00 0.00 60.65 60.08 1ily s ILE 81 Cb 0.00 -4.45 -0.07 0.00 -1.06 0.00 0.00 42.46 36.87 1ily s ILE 81 CO 0.00 -1.19 -0.10 1.17 -0.10 0.00 0.00 174.94 174.73 1ily n LYS 82 N 8.68 0.49 -4.33 2.79 4.81 -1.26 -4.23 118.16 125.11 1ily n LYS 82 Ca 0.12 0.51 -0.31 0.00 -0.87 0.00 0.00 58.31 57.76 1ily n LYS 82 Cb 0.49 -1.69 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.32 2.45 0.20 1.64 -1.52 -1.26 0.18 119.66 119.03 1ily s GLN 83 Ca -0.20 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 52.41 1ily s GLN 83 Cb 0.04 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.31 1ily s GLN 83 CO 0.33 0.57 0.02 0.08 -0.25 0.00 0.00 175.29 176.03 1ily s VAL 84 N -1.12 0.75 -0.52 1.09 1.01 0.13 -4.34 120.40 117.40 1ily s VAL 84 Ca 0.20 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.11 1ily s VAL 84 Cb -0.11 -2.26 0.13 0.00 0.00 0.00 0.00 36.38 34.14 1ily s VAL 84 CO 0.11 -0.36 0.38 0.00 0.00 0.00 0.00 175.10 175.24 1ily s ALA 85 N -3.61 3.45 -0.48 5.51 0.00 0.16 -4.04 121.76 122.74 1ily s ALA 85 Ca 0.27 -2.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.21 1ily s ALA 85 Cb 0.06 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1ily s ALA 85 CO 0.07 -1.96 1.10 0.12 0.00 0.00 0.00 175.76 175.09 1ily s PHE 86 N 0.94 2.82 -0.41 0.00 5.36 -1.26 -0.66 117.98 124.77 1ily s PHE 86 Ca 0.09 0.61 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 1ily s PHE 86 Cb -0.23 -4.35 0.17 0.00 -0.34 0.00 0.00 43.02 38.27 1ily s PHE 86 CO -0.03 -1.27 0.49 -0.51 -1.46 0.00 0.00 175.22 172.44 1ily s ASP 87 N 2.47 0.20 0.24 6.13 1.01 -0.94 -4.97 116.67 120.80 1ily s ASP 87 Ca 0.45 -1.72 0.12 0.00 0.71 0.00 0.00 52.55 52.12 1ily s ASP 87 Cb -0.08 0.92 0.11 0.00 1.01 0.00 0.00 42.92 44.88 1ily s ASP 87 CO 0.30 -0.19 1.45 -0.09 0.21 0.00 0.00 175.17 176.86 1ily h ARG 88 N 6.40 0.00 0.00 8.23 9.65 -1.90 -3.45 114.38 133.30 1ily h ARG 88 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1ily h ARG 88 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1ily h ARG 88 CO 0.17 0.68 0.00 0.41 2.80 0.00 0.00 179.97 184.03 1ily n GLY 89 N 0.97 1.35 1.75 2.80 0.00 -1.26 -4.75 105.19 106.05 1ily n GLY 89 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 1.73 -3.65 1.61 -0.04 -1.26 -4.92 135.00 128.47 1ily n PRO 90 Ca 0.00 -1.59 -0.37 0.00 -0.04 0.00 0.00 63.50 61.49 1ily n PRO 90 Cb 0.00 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.80 3.63 0.09 0.54 1.51 -1.26 -5.10 117.35 114.97 1ily s TYR 91 Ca 0.31 0.75 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 1ily s TYR 91 Cb 0.25 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1ily s TYR 91 CO 0.03 0.60 -0.05 0.15 -1.11 0.00 0.00 175.55 175.17 1ily s LYS 92 N -0.77 2.34 -0.88 -0.62 -0.14 -1.26 -4.98 119.74 113.43 1ily s LYS 92 Ca 0.19 -0.92 -0.26 0.00 -1.36 0.00 0.00 55.97 53.62 1ily s LYS 92 Cb -0.14 -2.42 -0.21 0.00 -1.68 0.00 0.00 37.83 33.38 1ily s LYS 92 CO 0.08 0.53 2.52 0.98 -0.76 0.00 0.00 175.35 178.70 1ily n TYR 93 N 0.70 0.68 -4.23 3.18 9.36 -1.26 -4.88 117.16 120.72 1ily n TYR 93 Ca -0.12 0.23 -0.23 0.00 3.32 0.00 0.00 57.90 61.09 1ily n TYR 93 Cb 0.52 -2.10 -0.06 0.00 -0.63 0.00 0.00 39.34 37.06 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 8.43 2.85 0.26 2.98 2.46 -1.26 -5.00 115.29 126.01 1ily s HIS 94 Ca 1.24 -0.17 -0.11 0.00 0.47 0.00 0.00 55.06 56.49 1ily s HIS 94 Cb -0.88 -1.29 0.38 0.00 -0.13 0.00 0.00 32.58 30.66 1ily s HIS 94 CO 0.43 0.58 1.56 0.78 -2.47 0.00 0.00 174.74 175.61 1ily h GLY 95 N 1.90 0.49 0.28 1.59 0.00 -2.00 -1.49 103.07 103.84 1ily h GLY 95 Ca -0.46 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1ily h GLY 95 CO 0.60 -0.32 -0.28 3.21 0.00 0.00 0.00 176.54 179.76 1ily h ARG 96 N -0.00 -0.53 -1.12 4.80 3.08 -1.96 -2.15 114.38 116.50 1ily h ARG 96 Ca 0.43 0.04 0.43 0.00 0.07 0.00 0.00 59.98 60.95 1ily h ARG 96 Cb 0.68 0.12 -0.17 0.00 0.08 0.00 0.00 29.97 30.68 1ily h ARG 96 CO -1.01 -0.36 0.65 0.28 -1.07 0.00 0.00 179.97 178.46 1ily h VAL 97 N -0.55 0.02 0.00 2.04 2.07 -1.68 0.85 116.25 118.99 1ily h VAL 97 Ca -0.04 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ily h VAL 97 Cb 0.48 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1ily h VAL 97 CO -0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.85 1ily n LYS 98 N -5.09 0.00 -0.22 1.57 5.02 -0.70 0.71 118.16 119.45 1ily n LYS 98 Ca 0.38 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 1ily n LYS 98 Cb 1.36 -1.10 0.41 0.00 -0.02 0.00 0.00 35.03 35.68 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 1.90 0.13 7.82 0.00 -1.01 -1.30 119.26 124.81 1ily h ALA 99 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ily h ALA 99 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ily h ALA 99 CO 0.00 -0.11 -0.06 1.25 0.00 0.00 0.00 179.25 180.33 1ily h LEU 100 N 0.61 -0.15 -1.77 0.00 6.46 0.67 -2.23 115.31 118.90 1ily h LEU 100 Ca 0.40 -0.37 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1ily h LEU 100 Cb 0.68 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1ily h LEU 100 CO -0.16 0.34 0.35 0.00 -0.62 0.00 0.00 178.44 178.35 1ily h ALA 101 N 0.04 2.13 -0.22 1.25 0.00 0.75 0.15 119.26 123.37 1ily h ALA 101 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1ily h ALA 101 Cb 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ily h ALA 101 CO 0.03 -0.25 -0.20 1.05 0.00 0.00 0.00 179.25 179.88 1ily h GLU 102 N 0.26 0.52 -0.24 0.00 4.11 -1.22 0.46 114.58 118.45 1ily h GLU 102 Ca 0.24 -0.27 0.05 0.00 0.07 0.00 0.00 59.36 59.45 1ily h GLU 102 Cb 0.59 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1ily h GLU 102 CO -0.05 0.84 -0.43 0.78 0.07 0.00 0.00 179.01 180.23 1ily h GLY 103 N 0.20 -0.66 1.64 1.06 0.00 -0.24 8.56 103.07 113.64 1ily h GLY 103 Ca 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 1ily h GLY 103 CO 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 176.54 176.51 1ily h ALA 104 N 0.23 1.59 0.00 3.60 0.00 0.13 1.27 119.26 126.09 1ily h ALA 104 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ily h ALA 104 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ily h ALA 104 CO -0.47 0.32 -1.20 -0.09 0.00 0.00 0.00 179.25 177.81 1ily h ARG 105 N 0.46 0.00 0.11 0.00 9.65 0.21 0.42 114.38 125.23 1ily h ARG 105 Ca 0.12 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.70 1ily h ARG 105 Cb 0.12 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1ily h ARG 105 CO -0.01 0.23 -1.46 1.05 2.80 0.00 0.00 179.97 182.58 1ily h GLU 106 N 0.00 0.22 -0.20 0.20 4.11 1.89 -3.35 114.58 117.46 1ily h GLU 106 Ca -0.10 -0.38 -0.07 0.00 0.07 0.00 0.00 59.36 58.87 1ily h GLU 106 Cb 1.40 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1ily h GLU 106 CO 0.03 1.09 -0.16 0.78 0.07 0.00 0.00 179.01 180.83 1ily h GLY 107 N 1.85 0.49 0.00 1.06 0.00 0.15 -3.47 103.07 103.14 1ily h GLY 107 Ca -0.21 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1ily h GLY 107 CO 0.16 0.43 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1ily n GLY 108 N 0.12 0.12 3.77 4.60 0.00 -1.15 -4.74 105.19 107.90 1ily n GLY 108 Ca -0.05 -0.00 -0.39 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 4.30 -0.32 0.99 1.02 0.15 -4.65 118.68 120.16 1ily s LEU 109 Ca 0.00 2.34 0.01 0.00 0.02 0.00 0.00 54.13 56.50 1ily s LEU 109 Cb 0.00 -3.90 0.10 0.00 0.02 0.00 0.00 46.19 42.41 1ily s LEU 109 CO 0.00 -0.52 0.08 -1.61 0.02 0.00 0.00 176.35 174.33 1ily s GLU 110 N -2.06 0.99 0.00 1.70 8.01 0.48 -3.32 118.70 124.50 1ily s GLU 110 Ca 0.53 -1.38 0.00 0.00 0.01 0.00 0.00 54.97 54.14 1ily s GLU 110 Cb -0.31 -2.42 0.00 0.00 -4.31 0.00 0.00 34.13 27.08 1ily s GLU 110 CO 0.40 -0.97 0.25 1.97 0.01 0.00 0.00 175.26 176.91