#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 -0.28 -4.66 6.15 4.77 -1.26 -3.73 117.00 117.99 1ily n LEU 23 Ca 0.00 0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 56.22 1ily n LEU 23 Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1ily n LEU 23 CO 0.00 -1.28 0.15 -0.60 -1.33 0.00 0.00 177.39 174.33 1ily s ARG 24 N -0.22 4.17 0.18 3.23 3.52 0.17 0.50 118.95 130.49 1ily s ARG 24 Ca 0.43 0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 56.17 1ily s ARG 24 Cb -0.61 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.15 1ily s ARG 24 CO 0.31 -0.10 0.58 -1.17 -0.81 0.00 0.00 175.30 174.11 1ily s LEU 25 N 1.49 4.30 -0.18 -0.88 0.20 0.39 -0.88 118.68 123.12 1ily s LEU 25 Ca 0.21 1.10 -0.06 0.00 0.69 0.00 0.00 54.13 56.07 1ily s LEU 25 Cb -0.15 -3.41 0.09 0.00 -0.43 0.00 0.00 46.19 42.28 1ily s LEU 25 CO 0.09 0.05 0.37 -0.44 -0.29 0.00 0.00 176.35 176.12 1ily s SER 26 N -1.85 -0.01 -0.11 3.68 0.01 -0.10 -1.67 113.70 113.65 1ily s SER 26 Ca 0.41 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 58.40 1ily s SER 26 Cb -0.14 1.12 -0.04 0.00 0.21 0.00 0.00 66.02 67.17 1ily s SER 26 CO 0.20 -0.24 0.11 -0.69 0.41 0.00 0.00 173.24 173.03 1ily s VAL 27 N 2.55 5.29 -0.21 3.43 1.01 -1.26 0.53 120.40 131.73 1ily s VAL 27 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ily s VAL 27 Cb -0.12 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1ily s VAL 27 CO -0.12 0.62 -0.07 0.12 0.00 0.00 0.00 175.10 175.65 1ily s PHE 28 N -1.00 2.30 -0.18 5.22 5.36 0.24 -4.87 117.98 125.05 1ily s PHE 28 Ca 0.15 -1.59 0.01 0.00 -0.96 0.00 0.00 56.93 54.53 1ily s PHE 28 Cb -0.12 -1.56 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1ily s PHE 28 CO 0.04 -0.74 -0.17 1.03 -1.46 0.00 0.00 175.22 173.92 1ily s ARG 29 N 1.43 2.64 0.00 10.12 0.52 -1.26 -0.85 118.95 131.55 1ily s ARG 29 Ca -0.03 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1ily s ARG 29 Cb -0.17 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1ily s ARG 29 CO -0.07 -0.27 0.00 -1.13 0.02 0.00 0.00 175.30 173.85 1ily n SER 30 N 4.65 0.00 0.09 0.23 3.41 -1.24 -4.99 113.62 115.78 1ily n SER 30 Ca -0.19 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1ily n SER 30 Cb 0.49 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1ily n SER 30 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ily n LEU 31 N -1.12 0.31 -0.14 1.04 -0.00 -1.26 -4.89 117.00 110.94 1ily n LEU 31 Ca 0.00 0.30 0.10 0.00 -0.00 0.00 0.00 56.01 56.41 1ily n LEU 31 Cb 0.00 0.09 0.15 0.00 -0.00 0.00 0.00 43.42 43.66 1ily n LEU 31 CO 0.00 -0.74 0.58 1.17 -0.00 0.00 0.00 177.39 178.40 1ily n LYS 32 N -3.35 1.42 -4.42 1.96 4.81 -1.26 -5.03 118.16 112.28 1ily n LYS 32 Ca 0.00 -2.61 -0.24 0.00 -0.87 0.00 0.00 58.31 54.59 1ily n LYS 32 Cb 0.00 -1.53 -0.09 0.00 0.02 0.00 0.00 35.03 33.43 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 -2.88 2.44 -0.17 5.64 3.76 -1.26 -4.15 115.29 118.67 1ily s HIS 33 Ca 0.33 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 1ily s HIS 33 Cb 0.29 -1.18 0.06 0.00 1.11 0.00 0.00 32.58 32.86 1ily s HIS 33 CO 0.03 0.63 0.40 -1.50 -0.85 0.00 0.00 174.74 173.46 1ily s ILE 34 N -2.49 -0.14 0.01 0.60 1.10 -1.26 -3.60 121.20 115.42 1ily s ILE 34 Ca 0.32 0.11 -0.08 0.00 -0.51 0.00 0.00 60.65 60.49 1ily s ILE 34 Cb -0.03 -0.61 0.00 0.00 0.15 0.00 0.00 42.46 41.97 1ily s ILE 34 CO 0.17 0.05 0.16 -0.31 -2.11 0.00 0.00 174.94 172.90 1ily s TYR 35 N 1.63 0.03 -0.09 3.50 1.51 -0.03 -3.12 117.35 120.78 1ily s TYR 35 Ca -0.08 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1ily s TYR 35 Cb -0.09 -0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.75 1ily s TYR 35 CO -0.13 -0.32 -0.04 0.00 -1.11 0.00 0.00 175.55 173.95 1ily s ALA 36 N -1.59 0.98 -0.27 3.71 0.00 0.27 0.81 121.76 125.67 1ily s ALA 36 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1ily s ALA 36 Cb -0.06 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1ily s ALA 36 CO 0.01 -0.39 -0.02 -0.65 0.00 0.00 0.00 175.76 174.71 1ily s GLN 37 N 1.73 2.71 -0.68 0.00 1.11 0.19 -1.49 119.66 123.22 1ily s GLN 37 Ca 0.03 -1.07 -0.17 0.00 0.01 0.00 0.00 55.36 54.15 1ily s GLN 37 Cb -0.13 -3.11 0.14 0.00 -1.01 0.00 0.00 33.01 28.91 1ily s GLN 37 CO -0.06 -0.49 0.74 0.42 0.01 0.00 0.00 175.29 175.91 1ily s ILE 38 N 1.32 5.06 0.34 1.08 -1.09 0.14 -0.93 121.20 127.13 1ily s ILE 38 Ca -0.02 -1.51 0.05 0.00 -2.23 0.00 0.00 60.65 56.94 1ily s ILE 38 Cb -0.18 -4.50 -0.01 0.00 -1.58 0.00 0.00 42.46 36.19 1ily s ILE 38 CO -0.02 -1.11 0.50 -0.63 -1.23 0.00 0.00 174.94 172.45 1ily s ILE 39 N 1.90 4.30 -0.43 2.92 1.09 -0.06 -1.87 121.20 129.06 1ily s ILE 39 Ca 0.14 -0.86 -0.17 0.00 -1.10 0.00 0.00 60.65 58.66 1ily s ILE 39 Cb -0.19 -3.52 0.03 0.00 -1.06 0.00 0.00 42.46 37.71 1ily s ILE 39 CO -0.00 -0.24 0.44 -0.62 -0.10 0.00 0.00 174.94 174.42 1ily s ASP 40 N -4.14 6.19 -0.17 3.58 -1.08 0.27 0.42 116.67 121.74 1ily s ASP 40 Ca 0.44 -0.75 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1ily s ASP 40 Cb -0.10 -2.22 0.33 0.00 -1.46 0.00 0.00 42.92 39.47 1ily s ASP 40 CO 0.32 -0.61 1.29 -0.90 0.52 0.00 0.00 175.17 175.79 1ily n ASP 41 N 5.60 3.27 -0.06 -0.34 5.75 -1.26 -2.49 116.55 127.02 1ily n ASP 41 Ca -0.08 -2.61 -0.12 0.00 -0.01 0.00 0.00 54.79 51.97 1ily n ASP 41 Cb 0.47 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.05 0.28 -3.81 0.11 2.13 -1.26 -4.92 120.64 113.13 1ily n GLU 42 Ca 0.22 0.11 -0.25 0.00 0.66 0.00 0.00 57.16 57.89 1ily n GLU 42 Cb 0.90 -1.04 -0.17 0.00 0.27 0.00 0.00 31.44 31.40 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 -2.24 0.93 -0.93 5.31 3.01 -1.23 -5.04 119.74 119.54 1ily s LYS 43 Ca -0.18 -0.12 -0.13 0.00 -1.01 0.00 0.00 55.97 54.54 1ily s LYS 43 Cb 0.06 -1.38 -0.29 0.00 -1.01 0.00 0.00 37.83 35.21 1ily s LYS 43 CO 0.24 -0.35 2.18 0.41 0.51 0.00 0.00 175.35 178.34 1ily n GLY 44 N 5.06 -0.41 2.63 -3.33 0.00 -1.21 -4.44 105.19 103.48 1ily n GLY 44 Ca -0.09 0.06 -0.25 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 3.33 -0.05 -0.21 1.61 1.01 -1.04 -4.95 120.40 120.10 1ily s VAL 45 Ca 1.20 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1ily s VAL 45 Cb -0.67 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ily s VAL 45 CO 0.45 -0.16 1.17 -0.89 0.00 0.00 0.00 175.10 175.66 1ily s THR 46 N 2.13 4.45 -0.18 3.92 2.01 -1.26 0.94 115.64 127.64 1ily s THR 46 Ca 0.03 1.74 -0.18 0.00 0.31 0.00 0.00 61.69 63.59 1ily s THR 46 Cb -0.15 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1ily s THR 46 CO -0.08 -0.20 -0.34 0.18 -0.69 0.00 0.00 174.62 173.50 1ily n LEU 47 N 6.58 1.93 -4.32 4.42 4.32 -0.78 -4.95 117.00 124.20 1ily n LEU 47 Ca 0.13 0.34 -0.28 0.00 -0.02 0.00 0.00 56.01 56.19 1ily n LEU 47 Cb 0.46 -0.75 -0.14 0.00 -1.62 0.00 0.00 43.42 41.37 1ily n LEU 47 CO 0.55 -0.27 -0.55 -0.69 -1.22 0.00 0.00 177.39 175.21 1ily s VAL 48 N -2.88 1.98 -0.21 4.08 1.01 -0.98 -5.00 120.40 118.41 1ily s VAL 48 Ca -0.28 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1ily s VAL 48 Cb 0.04 -1.72 0.10 0.00 0.00 0.00 0.00 36.38 34.80 1ily s VAL 48 CO 0.42 0.22 0.35 -0.94 0.00 0.00 0.00 175.10 175.16 1ily s SER 49 N -1.45 0.21 0.21 3.32 1.04 -1.26 0.28 113.70 116.06 1ily s SER 49 Ca 0.10 0.49 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1ily s SER 49 Cb -0.10 1.05 -0.05 0.00 0.10 0.00 0.00 66.02 67.02 1ily s SER 49 CO 0.03 -0.27 -0.17 0.00 0.98 0.00 0.00 173.24 173.81 1ily s ALA 50 N 2.52 2.20 -0.15 5.32 0.00 -0.56 -4.96 121.76 126.14 1ily s ALA 50 Ca 0.06 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.26 1ily s ALA 50 Cb -0.14 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.86 1ily s ALA 50 CO -0.13 0.18 0.37 -1.54 0.00 0.00 0.00 175.76 174.64 1ily s SER 51 N -3.13 -0.42 0.21 0.00 1.04 -1.26 -0.57 113.70 109.57 1ily s SER 51 Ca 0.22 0.77 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 1ily s SER 51 Cb -0.03 0.71 0.27 0.00 0.10 0.00 0.00 66.02 67.06 1ily s SER 51 CO 0.09 -0.16 1.76 -1.28 0.98 0.00 0.00 173.24 174.62 1ily h SER 52 N 6.49 0.30 0.57 7.02 0.87 -1.92 0.21 113.55 127.09 1ily h SER 52 Ca -0.33 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1ily h SER 52 Cb 1.18 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1ily h SER 52 CO 0.30 0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.78 1ily n LEU 53 N -4.95 0.00 0.11 2.23 -0.00 -1.26 -3.29 117.00 109.84 1ily n LEU 53 Ca 0.09 0.39 -0.12 0.00 -0.00 0.00 0.00 56.01 56.37 1ily n LEU 53 Cb 0.25 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.20 1ily n LEU 53 CO 0.24 -0.11 0.50 0.00 -0.00 0.00 0.00 177.39 178.01 1ily h ALA 54 N 2.87 -0.33 -0.45 1.47 0.00 -0.81 -3.28 119.26 118.74 1ily h ALA 54 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ily h ALA 54 Cb 0.28 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1ily h ALA 54 CO 0.00 -0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 178.71 1ily h LEU 55 N -0.78 -0.21 0.00 0.00 4.07 -1.59 -3.45 115.31 113.35 1ily h LEU 55 Ca -0.03 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ily h LEU 55 Cb 0.51 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1ily h LEU 55 CO 0.05 -0.07 0.00 0.29 -1.08 0.00 0.00 178.44 177.64 1ily n LYS 56 N -5.22 0.00 -0.60 1.13 5.02 -1.24 -5.16 118.16 112.10 1ily n LYS 56 Ca 0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1ily n LYS 56 Cb 0.24 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.39 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ily n LEU 57 N 0.00 -1.70 0.00 -0.35 4.77 -1.21 -4.92 117.00 113.59 1ily n LEU 57 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1ily n LEU 57 Cb 0.00 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1ily n LEU 57 CO 0.00 -3.13 -0.41 0.29 -1.33 0.00 0.00 177.39 172.81 1ily n LYS 58 N -1.46 0.00 0.00 3.23 5.02 -1.26 -4.19 118.16 119.50 1ily n LYS 58 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ily n LYS 58 Cb 0.43 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 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 3.02 2.37 0.12 0.72 0.00 -1.26 -4.62 105.19 105.54 1ily n GLY 59 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.27 -0.38 1.61 3.02 -1.26 -4.92 115.26 116.60 1ily n ASN 60 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1ily n ASN 60 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1ily n ASN 60 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ily n LYS 61 N -2.69 0.00 -1.35 3.52 4.81 -1.26 -5.02 118.16 116.17 1ily n LYS 61 Ca -0.08 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.13 1ily n LYS 61 Cb 0.58 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.54 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ily n THR 62 N 0.00 3.43 -0.11 3.15 -2.24 -1.26 -4.33 114.28 112.92 1ily n THR 62 Ca 0.00 -2.55 -0.25 0.00 -2.27 0.00 0.00 64.05 58.98 1ily n THR 62 Cb 0.00 -1.84 -0.11 0.00 -2.10 0.00 0.00 70.33 66.28 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 1.68 0.59 0.06 -0.78 0.00 -1.26 -4.52 120.64 116.41 1ily n GLU 63 Ca 0.50 0.43 0.11 0.00 0.00 0.00 0.00 57.16 58.20 1ily n GLU 63 Cb 0.64 -1.64 -0.06 0.00 0.00 0.00 0.00 31.44 30.38 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ily n VAL 64 N -4.27 0.38 -0.26 6.31 0.31 -1.26 -4.39 118.33 115.14 1ily n VAL 64 Ca -0.41 -0.52 0.25 0.00 -0.01 0.00 0.00 64.34 63.64 1ily n VAL 64 Cb 0.79 -0.19 0.44 0.00 -0.91 0.00 0.00 33.84 33.97 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 -2.20 0.81 0.28 3.52 0.00 -1.26 0.12 120.51 121.78 1ily n ALA 65 Ca -0.01 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.01 1ily n ALA 65 Cb 0.55 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.73 -0.42 0.00 2.43 -1.64 0.52 114.38 114.53 1ily h ARG 66 Ca 0.61 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.96 1ily h ARG 66 Cb 1.73 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 1ily h ARG 66 CO -0.49 -0.49 0.61 1.96 -1.51 0.00 0.00 179.97 180.05 1ily h GLN 67 N -1.14 0.00 0.07 0.20 4.20 0.67 1.94 115.11 121.05 1ily h GLN 67 Ca -0.08 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1ily h GLN 67 CO 0.13 0.00 -1.20 -0.24 -0.67 0.00 0.00 178.83 176.84 1ily h VAL 68 N 0.00 1.51 0.01 -0.54 3.04 0.58 -2.47 116.25 118.39 1ily h VAL 68 Ca 0.20 -3.16 -0.20 0.00 -1.01 0.00 0.00 66.70 62.53 1ily h VAL 68 Cb 1.42 2.86 -0.02 0.00 -2.01 0.00 0.00 31.29 33.54 1ily h VAL 68 CO -0.00 0.90 -0.91 1.23 -1.01 0.00 0.00 177.57 177.78 1ily h GLY 69 N 2.26 0.13 0.97 3.17 0.00 0.51 -0.79 103.07 109.31 1ily h GLY 69 Ca -0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1ily h GLY 69 CO 0.16 0.23 -0.42 0.07 0.00 0.00 0.00 176.54 176.58 1ily h ARG 70 N 0.06 0.66 -0.52 4.80 -0.00 0.13 0.89 114.38 120.40 1ily h ARG 70 Ca -0.04 -0.42 -0.08 0.00 -0.00 0.00 0.00 59.98 59.44 1ily h ARG 70 Cb 1.56 0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 31.56 1ily h ARG 70 CO 0.13 1.04 -0.01 0.00 -0.00 0.00 0.00 179.97 181.14 1ily h ALA 71 N 0.61 1.00 0.34 0.08 0.00 -1.46 0.41 119.26 120.24 1ily h ALA 71 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ily h ALA 71 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ily h ALA 71 CO 0.09 0.61 -0.16 1.25 0.00 0.00 0.00 179.25 181.04 1ily h LEU 72 N 0.82 -0.38 -2.30 0.00 5.85 -0.97 -1.39 115.31 116.93 1ily h LEU 72 Ca 0.15 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ily h LEU 72 Cb 0.50 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1ily h LEU 72 CO 0.02 -0.06 0.19 0.00 -0.34 0.00 0.00 178.44 178.25 1ily h ALA 73 N -0.18 1.64 -0.18 1.25 0.00 0.92 0.71 119.26 123.42 1ily h ALA 73 Ca -0.05 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 73 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ily h ALA 73 CO 0.08 -0.26 -0.65 1.49 0.00 0.00 0.00 179.25 179.91 1ily h GLU 74 N 0.00 0.66 0.14 0.00 4.81 0.46 -1.25 114.58 119.40 1ily h GLU 74 Ca 0.06 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1ily h GLU 74 Cb 0.44 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ily h GLU 74 CO -0.00 1.09 -0.07 0.87 -0.73 0.00 0.00 179.01 180.18 1ily h LYS 75 N 0.48 -0.18 -0.97 1.92 1.57 0.13 -2.34 116.57 117.20 1ily h LYS 75 Ca -0.01 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1ily h LYS 75 Cb 1.23 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.43 1ily h LYS 75 CO 0.13 -0.12 0.41 0.00 -0.57 0.00 0.00 179.45 179.30 1ily h ALA 76 N -1.76 1.72 -0.96 3.86 0.00 -0.74 1.45 119.26 122.83 1ily h ALA 76 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ily h ALA 76 Cb 0.14 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ily h ALA 76 CO 0.03 -0.61 0.63 -0.07 0.00 0.00 0.00 179.25 179.23 1ily h LEU 77 N 0.20 1.07 -1.93 0.00 3.38 -1.26 -1.12 115.31 115.65 1ily h LEU 77 Ca 0.69 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.73 1ily h LEU 77 Cb 1.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1ily h LEU 77 CO -0.68 0.75 0.44 0.00 0.09 0.00 0.00 178.44 179.04 1ily h ALA 78 N 1.37 1.90 0.00 1.53 0.00 0.26 1.15 119.26 125.47 1ily h ALA 78 Ca 0.37 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 1ily h ALA 78 Cb -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ily h ALA 78 CO -0.10 -0.59 -1.51 -0.07 0.00 0.00 0.00 179.25 176.98 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.14 -3.48 115.31 114.07 1ily h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ily h LEU 79 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ily h LEU 79 CO -0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1ily n GLY 80 N 1.47 1.34 3.58 0.83 0.00 0.40 -5.05 105.19 107.75 1ily n GLY 80 Ca -0.12 0.00 -0.42 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 3.56 -0.20 -0.61 1.09 -0.89 -4.83 121.20 117.33 1ily s ILE 81 Ca 0.00 0.52 -0.16 0.00 -1.10 0.00 0.00 60.65 59.91 1ily s ILE 81 Cb 0.00 -3.92 -0.11 0.00 -1.06 0.00 0.00 42.46 37.37 1ily s ILE 81 CO 0.00 -0.70 -0.09 1.17 -0.10 0.00 0.00 174.94 175.22 1ily n LYS 82 N 8.58 0.53 -4.50 2.79 4.81 -1.26 -4.27 118.16 124.84 1ily n LYS 82 Ca 0.20 0.46 -0.32 0.00 -0.87 0.00 0.00 58.31 57.77 1ily n LYS 82 Cb 0.49 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.43 2.48 0.16 1.64 -0.44 -1.26 0.21 119.66 120.02 1ily s GLN 83 Ca -0.26 -0.76 0.05 0.00 -2.50 0.00 0.00 55.36 51.89 1ily s GLN 83 Cb 0.06 -2.45 -0.04 0.00 -1.64 0.00 0.00 33.01 28.93 1ily s GLN 83 CO 0.43 0.59 -0.11 0.08 0.50 0.00 0.00 175.29 176.79 1ily s VAL 84 N -0.98 1.27 -0.88 1.34 1.01 0.47 -2.57 120.40 120.05 1ily s VAL 84 Ca 0.17 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.98 1ily s VAL 84 Cb -0.11 -1.87 0.23 0.00 0.00 0.00 0.00 36.38 34.62 1ily s VAL 84 CO 0.07 -0.72 0.80 0.00 0.00 0.00 0.00 175.10 175.26 1ily s ALA 85 N -3.24 4.20 -0.57 5.51 0.00 0.18 -4.03 121.76 123.81 1ily s ALA 85 Ca 0.17 -3.54 -0.28 0.00 0.00 0.00 0.00 51.96 48.32 1ily s ALA 85 Cb 0.02 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ily s ALA 85 CO 0.02 -2.21 1.17 0.12 0.00 0.00 0.00 175.76 174.86 1ily s PHE 86 N -0.49 2.64 -0.31 0.00 2.19 -1.26 -0.46 117.98 120.29 1ily s PHE 86 Ca 0.23 0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.93 1ily s PHE 86 Cb -0.11 -4.48 0.16 0.00 -1.31 0.00 0.00 43.02 37.27 1ily s PHE 86 CO -0.08 -1.54 0.39 -0.51 1.83 0.00 0.00 175.22 175.31 1ily s ASP 87 N 2.90 0.66 0.00 6.13 1.11 -0.67 -4.94 116.67 121.86 1ily s ASP 87 Ca 0.43 -0.69 0.28 0.00 0.18 0.00 0.00 52.55 52.75 1ily s ASP 87 Cb -0.08 0.95 1.16 0.00 1.07 0.00 0.00 42.92 46.02 1ily s ASP 87 CO 0.26 -0.33 1.84 -1.14 1.18 0.00 0.00 175.17 176.97 1ily n ARG 88 N 5.10 0.36 0.00 8.23 3.00 -1.26 -4.79 116.66 127.30 1ily n ARG 88 Ca 0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1ily n ARG 88 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.45 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ily n GLY 89 N 1.37 1.29 1.93 5.14 0.00 -1.26 -4.70 105.19 108.96 1ily n GLY 89 Ca 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 1.97 -2.60 1.61 -0.04 -1.26 -4.96 135.00 129.72 1ily n PRO 90 Ca 0.00 -2.08 -0.40 0.00 -0.04 0.00 0.00 63.50 60.97 1ily n PRO 90 Cb 0.00 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 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 -2.36 3.74 -0.35 0.54 1.51 -1.26 -5.03 117.35 114.15 1ily s TYR 91 Ca 0.40 1.76 0.03 0.00 -1.01 0.00 0.00 57.07 58.25 1ily s TYR 91 Cb 0.33 -3.16 0.10 0.00 -0.11 0.00 0.00 41.96 39.12 1ily s TYR 91 CO 0.03 -0.15 0.07 0.21 -1.11 0.00 0.00 175.55 174.60 1ily s LYS 92 N -0.91 1.42 0.00 -0.62 2.47 -1.26 -5.01 119.74 115.83 1ily s LYS 92 Ca 0.45 -1.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.03 1ily s LYS 92 Cb -0.28 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 1ily s LYS 92 CO 0.35 -0.95 0.00 0.98 0.16 0.00 0.00 175.35 175.89 1ily n TYR 93 N 4.25 0.00 -4.38 4.03 9.36 -1.26 -4.90 117.16 124.26 1ily n TYR 93 Ca 0.03 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.01 1ily n TYR 93 Cb 0.42 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.04 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 0.00 2.51 0.15 2.98 2.46 -1.26 -5.03 115.29 117.09 1ily s HIS 94 Ca 0.00 -0.40 -0.28 0.00 0.47 0.00 0.00 55.06 54.84 1ily s HIS 94 Cb 0.00 -1.37 -0.06 0.00 -0.13 0.00 0.00 32.58 31.02 1ily s HIS 94 CO 0.00 0.54 1.47 0.41 -2.47 0.00 0.00 174.74 174.69 1ily n GLY 95 N -0.88 -2.57 0.01 1.59 0.00 -1.26 -2.20 105.19 99.89 1ily n GLY 95 Ca -0.05 1.12 -0.00 0.00 0.00 0.00 0.00 46.02 47.09 1ily n GLY 95 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ily h ARG 96 N 0.00 -0.01 -0.79 1.61 2.47 -1.94 -1.27 114.38 114.44 1ily h ARG 96 Ca 0.15 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.18 1ily h ARG 96 Cb 0.37 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.58 1ily h ARG 96 CO -0.86 -0.01 0.46 0.28 0.56 0.00 0.00 179.97 180.40 1ily n VAL 97 N -2.69 -0.26 0.00 2.04 0.31 -0.97 0.12 118.33 116.89 1ily n VAL 97 Ca -0.00 1.37 0.00 0.00 -0.01 0.00 0.00 64.34 65.70 1ily n VAL 97 Cb 0.01 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.70 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 -4.42 0.00 -0.13 5.55 5.02 -0.50 0.56 118.16 124.24 1ily n LYS 98 Ca 0.27 0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 1ily n LYS 98 Cb 0.97 -0.98 0.47 0.00 -0.02 0.00 0.00 35.03 35.47 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 1.98 0.11 7.82 0.00 -1.10 -1.21 119.26 124.87 1ily h ALA 99 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ily h ALA 99 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ily h ALA 99 CO 0.00 -0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.32 1ily h LEU 100 N 0.48 -0.13 -1.80 0.00 6.46 0.92 -2.35 115.31 118.90 1ily h LEU 100 Ca 0.32 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1ily h LEU 100 Cb 0.58 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1ily h LEU 100 CO -0.10 0.28 -0.11 0.00 -0.62 0.00 0.00 178.44 177.89 1ily h ALA 101 N 0.26 1.77 -0.22 1.25 0.00 0.67 -1.56 119.26 121.44 1ily h ALA 101 Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 101 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ily h ALA 101 CO 0.02 0.14 -0.15 0.93 0.00 0.00 0.00 179.25 180.19 1ily h GLU 102 N 0.00 0.49 -0.26 0.00 5.08 -1.19 0.46 114.58 119.17 1ily h GLU 102 Ca -0.00 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1ily h GLU 102 Cb 0.21 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 1ily h GLU 102 CO 0.01 0.80 -0.45 0.78 -1.00 0.00 0.00 179.01 179.15 1ily h GLY 103 N 0.19 -0.73 1.65 -3.84 0.00 -0.83 8.79 103.07 108.29 1ily h GLY 103 Ca 0.04 0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1ily h GLY 103 CO 0.04 -0.20 0.09 0.00 0.00 0.00 0.00 176.54 176.47 1ily h ALA 104 N 0.16 1.56 0.00 3.60 0.00 -0.10 1.40 119.26 125.87 1ily h ALA 104 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ily h ALA 104 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ily h ALA 104 CO -0.49 0.34 -1.04 -0.09 0.00 0.00 0.00 179.25 177.97 1ily h ARG 105 N 0.45 0.00 0.09 0.00 9.65 0.22 0.49 114.38 125.29 1ily h ARG 105 Ca 0.11 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.69 1ily h ARG 105 Cb 0.16 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1ily h ARG 105 CO -0.01 0.17 -1.55 1.05 2.80 0.00 0.00 179.97 182.43 1ily h GLU 106 N 0.00 0.20 -0.22 0.20 4.11 1.95 -3.35 114.58 117.46 1ily h GLU 106 Ca -0.07 -0.34 -0.08 0.00 0.07 0.00 0.00 59.36 58.94 1ily h GLU 106 Cb 1.28 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ily h GLU 106 CO 0.03 1.03 -0.19 0.78 0.07 0.00 0.00 179.01 180.73 1ily h GLY 107 N 1.98 0.56 0.00 1.06 0.00 0.18 -3.47 103.07 103.38 1ily h GLY 107 Ca -0.24 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1ily h GLY 107 CO 0.14 0.50 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1ily n GLY 108 N 0.13 0.09 3.78 4.60 0.00 -1.13 -4.74 105.19 107.91 1ily n GLY 108 Ca -0.05 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 4.00 -0.36 0.99 1.02 0.17 -4.66 118.68 119.84 1ily s LEU 109 Ca 0.00 2.20 0.01 0.00 0.02 0.00 0.00 54.13 56.36 1ily s LEU 109 Cb 0.00 -4.29 0.11 0.00 0.02 0.00 0.00 46.19 42.03 1ily s LEU 109 CO 0.00 -0.84 0.13 -1.61 0.02 0.00 0.00 176.35 174.05 1ily s GLU 110 N -2.76 1.09 0.00 1.70 8.01 0.55 -3.39 118.70 123.89 1ily s GLU 110 Ca 0.64 -1.57 0.00 0.00 0.01 0.00 0.00 54.97 54.05 1ily s GLU 110 Cb -0.26 -2.40 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 1ily s GLU 110 CO 0.31 -1.03 0.25 1.97 0.01 0.00 0.00 175.26 176.77