#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5b n GLY 2 N 0.00 0.90 3.95 -3.96 0.00 -1.26 -5.04 105.19 99.78 1l5b n GLY 2 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1l5b n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l5b n LYS 3 N 0.00 -3.16 -0.02 1.61 4.01 -1.26 -4.86 118.16 114.48 1l5b n LYS 3 Ca 0.00 0.40 0.01 0.00 -0.51 0.00 0.00 58.31 58.21 1l5b n LYS 3 Cb 0.00 -4.48 0.33 0.00 -0.51 0.00 0.00 35.03 30.37 1l5b n LYS 3 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1l5b h PHE 4 N -1.84 0.58 0.00 2.13 -0.00 -2.02 -3.20 116.94 112.59 1l5b h PHE 4 Ca -0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.31 1l5b h PHE 4 Cb 1.38 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 1l5b h PHE 4 CO 0.48 0.48 0.00 -1.13 -0.00 0.00 0.00 178.31 178.14 1l5b n SER 5 N -4.35 0.00 -0.41 -0.68 3.41 -1.26 -2.37 113.62 107.96 1l5b n SER 5 Ca 0.03 -0.30 0.05 0.00 -0.26 0.00 0.00 58.87 58.39 1l5b n SER 5 Cb 0.17 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.27 1l5b n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l5b n GLN 6 N -1.01 1.52 0.00 4.33 6.02 -1.21 -4.09 117.38 122.94 1l5b n GLN 6 Ca 0.07 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 1l5b n GLN 6 Cb 0.03 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1l5b n GLN 6 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1l5b n THR 7 N 0.13 0.00 -4.34 5.09 -2.24 -1.00 -5.07 114.28 106.85 1l5b n THR 7 Ca 0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 1l5b n THR 7 Cb 0.20 0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1l5b n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l5b s TYR 9 N -1.70 0.94 -1.61 0.00 1.51 -0.36 -4.84 117.35 111.30 1l5b s TYR 9 Ca 0.14 -1.23 0.00 0.00 -1.01 0.00 0.00 57.07 54.97 1l5b s TYR 9 Cb -0.07 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1l5b s TYR 9 CO 0.07 -0.64 0.00 0.09 -1.11 0.00 0.00 175.55 173.95 1l5b n ASN 10 N -0.22 -5.03 -4.72 2.29 4.13 -1.26 -2.79 115.26 107.65 1l5b n ASN 10 Ca -0.01 0.16 -0.39 0.00 1.68 0.00 0.00 54.58 56.02 1l5b n ASN 10 Cb 0.65 -4.29 0.04 0.00 -1.54 0.00 0.00 39.78 34.63 1l5b n ASN 10 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1l5b n SER 11 N -1.69 2.54 -3.74 6.41 7.64 -1.26 -4.66 113.62 118.85 1l5b n SER 11 Ca -0.20 1.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.55 1l5b n SER 11 Cb 0.64 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.19 1l5b n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l5b s ALA 12 N -1.28 -0.92 -0.20 -0.43 0.00 0.11 -4.99 121.76 114.05 1l5b s ALA 12 Ca 0.69 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 1l5b s ALA 12 Cb -0.44 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1l5b s ALA 12 CO 0.51 -0.20 -0.08 0.42 0.00 0.00 0.00 175.76 176.41 1l5b s ILE 13 N -0.19 3.14 -0.20 0.00 -1.09 -1.26 0.37 121.20 121.97 1l5b s ILE 13 Ca -0.03 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1l5b s ILE 13 Cb -0.03 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.50 1l5b s ILE 13 CO 0.02 0.46 -0.01 -1.58 -1.23 0.00 0.00 174.94 172.59 1l5b s GLN 14 N 1.28 1.10 7.62 2.79 0.74 -0.36 -5.01 119.66 127.82 1l5b s GLN 14 Ca 0.03 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.85 1l5b s GLN 14 Cb -0.14 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.78 1l5b s GLN 14 CO -0.04 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 174.54 1l5b n GLY 15 N 4.90 2.90 0.01 2.59 0.00 -1.26 -1.29 105.19 113.05 1l5b n GLY 15 Ca -0.10 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1l5b n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l5b n SER 16 N 9.36 0.41 -4.69 1.61 3.41 -1.26 -4.98 113.62 117.49 1l5b n SER 16 Ca 0.00 -0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 57.83 1l5b n SER 16 Cb 0.00 1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.46 1l5b n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1l5b s VAL 17 N -3.31 3.84 -0.15 -3.33 1.01 -0.41 -2.76 120.40 115.29 1l5b s VAL 17 Ca -0.01 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 1l5b s VAL 17 Cb 0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1l5b s VAL 17 CO 0.89 0.00 0.10 -0.22 0.00 0.00 0.00 175.10 175.87 1l5b s LEU 18 N 2.31 4.11 -0.05 3.92 2.96 -0.52 -1.23 118.68 130.19 1l5b s LEU 18 Ca 0.62 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1l5b s LEU 18 Cb -0.30 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1l5b s LEU 18 CO 0.25 0.30 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.50 1l5b s THR 19 N -0.39 1.66 0.09 3.68 2.01 0.16 -0.68 115.64 122.17 1l5b s THR 19 Ca 0.11 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1l5b s THR 19 Cb -0.12 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.01 1l5b s THR 19 CO 0.02 0.47 0.37 -0.55 -0.69 0.00 0.00 174.62 174.23 1l5b s SER 20 N -0.02 -0.20 -0.22 3.53 0.15 0.13 0.05 113.70 117.13 1l5b s SER 20 Ca -0.04 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 1l5b s SER 20 Cb -0.12 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1l5b s SER 20 CO 0.03 -0.76 -0.07 -0.89 1.20 0.00 0.00 173.24 172.75 1l5b s THR 21 N -3.28 3.08 0.33 6.45 2.01 -1.12 0.33 115.64 123.43 1l5b s THR 21 Ca -0.00 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.43 1l5b s THR 21 Cb 0.01 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1l5b s THR 21 CO -0.08 0.39 -0.03 0.00 -0.69 0.00 0.00 174.62 174.22 1l5b s GLU 23 N -3.68 3.40 1.05 0.00 2.02 0.23 -0.30 118.70 121.41 1l5b s GLU 23 Ca 0.34 0.96 -0.12 0.00 0.02 0.00 0.00 54.97 56.16 1l5b s GLU 23 Cb -0.01 -4.11 0.22 0.00 0.10 0.00 0.00 34.13 30.33 1l5b s GLU 23 CO 0.19 -1.79 1.07 0.50 0.02 0.00 0.00 175.26 175.25 1l5b s ARG 24 N 5.37 0.00 0.15 1.61 6.06 0.10 -4.92 118.95 127.33 1l5b s ARG 24 Ca 0.65 0.97 0.03 0.00 -2.50 0.00 0.00 55.73 54.87 1l5b s ARG 24 Cb -0.15 -1.65 -0.05 0.00 0.06 0.00 0.00 34.95 33.16 1l5b s ARG 24 CO 0.31 -3.14 1.35 1.15 -2.50 0.00 0.00 175.30 172.47 1l5b h THR 25 N -2.21 1.52 0.00 4.11 2.02 -1.95 -3.39 112.91 113.01 1l5b h THR 25 Ca -0.55 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 63.89 1l5b h THR 25 Cb 1.31 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1l5b h THR 25 CO 0.50 0.80 0.00 0.59 0.37 0.00 0.00 175.52 177.78 1l5b n ASN 26 N -3.61 0.00 0.00 4.18 3.02 -1.26 -5.01 115.26 112.58 1l5b n ASN 26 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1l5b n ASN 26 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1l5b n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l5b n GLY 27 N 2.20 0.00 3.76 7.41 0.00 -1.26 -5.12 105.19 112.18 1l5b n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1l5b n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l5b s GLY 28 N -1.14 1.71 0.09 -0.02 0.00 -1.26 -4.82 107.32 101.86 1l5b s GLY 28 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.58 1l5b s GLY 28 CO 0.00 -0.31 -0.14 -0.19 0.00 0.00 0.00 173.10 172.45 1l5b s TYR 29 N -3.50 1.29 -0.02 1.90 1.51 -1.26 0.00 117.35 117.27 1l5b s TYR 29 Ca 0.74 -0.49 -0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1l5b s TYR 29 Cb -0.05 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 41.10 1l5b s TYR 29 CO 0.55 0.08 0.08 1.21 -1.11 0.00 0.00 175.55 176.36 1l5b s ASN 30 N -1.94 -0.03 -0.24 2.29 2.47 0.59 -4.86 114.94 113.23 1l5b s ASN 30 Ca 0.01 0.02 -0.08 0.00 0.42 0.00 0.00 52.86 53.24 1l5b s ASN 30 Cb -0.09 0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.86 1l5b s ASN 30 CO 0.02 -0.13 0.08 -0.89 -3.72 0.00 0.00 177.10 172.47 1l5b s THR 31 N -0.41 4.52 0.49 -5.21 2.01 -1.26 0.17 115.64 115.96 1l5b s THR 31 Ca -0.05 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1l5b s THR 31 Cb -0.03 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1l5b s THR 31 CO 0.00 0.35 0.01 -0.55 -0.69 0.00 0.00 174.62 173.75 1l5b s SER 32 N 1.38 3.98 0.07 3.53 0.15 0.15 -4.98 113.70 117.97 1l5b s SER 32 Ca 0.05 -1.63 -0.19 0.00 0.70 0.00 0.00 55.95 54.89 1l5b s SER 32 Cb -0.15 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1l5b s SER 32 CO 0.04 -0.83 0.44 -0.94 1.20 0.00 0.00 173.24 173.16 1l5b s SER 33 N -3.84 -0.32 -0.05 5.45 1.04 -1.26 0.17 113.70 114.90 1l5b s SER 33 Ca 0.10 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 1l5b s SER 33 Cb 0.02 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1l5b s SER 33 CO 0.05 -0.73 0.12 -0.51 0.98 0.00 0.00 173.24 173.15 1l5b s ILE 34 N -2.85 -0.04 -0.55 -1.02 2.07 0.15 -4.99 121.20 113.97 1l5b s ILE 34 Ca -0.03 0.13 -0.27 0.00 -1.41 0.00 0.00 60.65 59.08 1l5b s ILE 34 Cb -0.00 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.43 1l5b s ILE 34 CO -0.05 0.05 1.09 -0.62 -1.91 0.00 0.00 174.94 173.51 1l5b s ASP 35 N 0.84 6.43 0.00 4.50 -1.08 -1.26 -1.44 116.67 124.66 1l5b s ASP 35 Ca -0.07 -0.00 0.26 0.00 -0.52 0.00 0.00 52.55 52.22 1l5b s ASP 35 Cb -0.09 -2.51 1.29 0.00 -1.46 0.00 0.00 42.92 40.15 1l5b s ASP 35 CO -0.04 -1.35 1.87 0.18 0.52 0.00 0.00 175.17 176.35 1l5b n LEU 36 N 7.99 0.00 0.26 -1.34 4.77 -1.11 -3.61 117.00 123.96 1l5b n LEU 36 Ca 0.07 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.46 1l5b n LEU 36 Cb 0.48 -0.31 0.69 0.00 -2.33 0.00 0.00 43.42 41.96 1l5b n LEU 36 CO 0.69 -0.04 1.03 -1.13 -1.33 0.00 0.00 177.39 176.60 1l5b h ASN 37 N 0.00 0.00 -0.47 -1.43 -1.24 -1.86 0.13 115.58 110.71 1l5b h ASN 37 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1l5b h ASN 37 Cb 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1l5b h ASN 37 CO 0.00 0.07 0.00 -1.54 -1.29 0.00 0.00 177.43 174.67 1l5b n SER 38 N -4.15 3.95 -0.03 1.15 3.41 -1.24 -4.40 113.62 112.32 1l5b n SER 38 Ca -0.03 -2.41 -0.02 0.00 -0.26 0.00 0.00 58.87 56.15 1l5b n SER 38 Cb 0.15 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 1l5b n SER 38 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1l5b n VAL 39 N 0.59 0.36 -4.32 -3.33 0.31 0.34 -4.88 118.33 107.40 1l5b n VAL 39 Ca 0.20 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.13 1l5b n VAL 39 Cb 0.73 -0.79 -0.10 0.00 -0.91 0.00 0.00 33.84 32.77 1l5b n VAL 39 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1l5b s ILE 40 N -2.15 1.60 0.15 2.52 2.07 -0.50 -0.13 121.20 124.75 1l5b s ILE 40 Ca -0.03 -2.11 -0.08 0.00 -1.41 0.00 0.00 60.65 57.02 1l5b s ILE 40 Cb 0.02 -1.94 -0.01 0.00 0.13 0.00 0.00 42.46 40.66 1l5b s ILE 40 CO 0.22 -0.58 0.25 -1.83 -1.91 0.00 0.00 174.94 171.09 1l5b s GLU 41 N -3.50 1.07 -0.17 3.50 -1.05 0.63 -4.77 118.70 114.42 1l5b s GLU 41 Ca 0.20 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 53.82 1l5b s GLU 41 Cb -0.01 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1l5b s GLU 41 CO 0.05 -0.38 -0.00 1.21 0.95 0.00 0.00 175.26 177.09 1l5b s ASN 42 N -2.95 5.04 -0.18 0.83 3.04 -1.26 0.11 114.94 119.58 1l5b s ASN 42 Ca 0.15 -0.08 0.01 0.00 0.04 0.00 0.00 52.86 52.98 1l5b s ASN 42 Cb 0.04 -1.84 0.02 0.00 -1.54 0.00 0.00 41.25 37.93 1l5b s ASN 42 CO -0.02 0.15 -0.18 -0.69 -3.04 0.00 0.00 177.10 173.32 1l5b s VAL 43 N 0.49 1.95 -0.51 -5.21 1.01 -0.05 -4.74 120.40 113.35 1l5b s VAL 43 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1l5b s VAL 43 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1l5b s VAL 43 CO 0.02 0.47 0.31 -0.67 0.00 0.00 0.00 175.10 175.23 1l5b n ASP 44 N 4.64 -2.15 0.00 3.32 2.03 -1.26 -0.53 116.55 122.60 1l5b n ASP 44 Ca -0.19 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1l5b n ASP 44 Cb 0.49 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1l5b n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l5b n GLY 45 N -1.30 3.02 3.67 0.27 0.00 -1.26 -5.02 105.19 104.56 1l5b n GLY 45 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1l5b n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l5b s SER 46 N -0.88 5.14 -0.13 1.61 0.01 0.31 -5.09 113.70 114.66 1l5b s SER 46 Ca 0.00 0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.15 1l5b s SER 46 Cb 0.00 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 1l5b s SER 46 CO 0.00 0.38 0.69 -0.76 0.41 0.00 0.00 173.24 173.96 1l5b s LEU 47 N -0.87 4.23 0.02 2.44 1.02 -1.26 -0.87 118.68 123.39 1l5b s LEU 47 Ca 0.13 1.05 0.06 0.00 0.02 0.00 0.00 54.13 55.39 1l5b s LEU 47 Cb -0.11 -3.03 -0.02 0.00 0.02 0.00 0.00 46.19 43.05 1l5b s LEU 47 CO 0.02 -0.21 -0.17 -0.54 0.02 0.00 0.00 176.35 175.47 1l5b s LYS 48 N 1.40 1.22 0.30 1.70 -0.14 0.31 -4.92 119.74 119.61 1l5b s LYS 48 Ca 0.34 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.92 1l5b s LYS 48 Cb -0.17 -1.24 -0.10 0.00 -1.68 0.00 0.00 37.83 34.64 1l5b s LYS 48 CO 0.14 0.32 1.31 -1.58 -0.76 0.00 0.00 175.35 174.78 1l5b s TRP 49 N -0.65 3.11 0.08 3.18 0.52 -1.26 -0.27 118.94 123.65 1l5b s TRP 49 Ca 0.05 1.36 -0.25 0.00 0.02 0.00 0.00 56.10 57.27 1l5b s TRP 49 Cb -0.07 -3.66 -0.06 0.00 -1.15 0.00 0.00 33.47 28.52 1l5b s TRP 49 CO 0.01 -1.88 0.78 -0.65 0.02 0.00 0.00 176.95 175.23 1l5b s GLN 50 N -1.34 4.52 0.52 4.98 -0.21 0.81 -4.84 119.66 124.10 1l5b s GLN 50 Ca 0.51 1.11 -0.13 0.00 0.02 0.00 0.00 55.36 56.87 1l5b s GLN 50 Cb -0.39 -3.34 -0.06 0.00 1.00 0.00 0.00 33.01 30.22 1l5b s GLN 50 CO 0.49 0.35 0.94 -1.25 -2.12 0.00 0.00 175.29 173.70 1l5b s PRO 51 N -0.31 3.79 -0.18 2.91 0.05 -1.26 -4.95 135.00 135.05 1l5b s PRO 51 Ca 0.38 0.75 -0.28 0.00 0.05 0.00 0.00 61.00 61.91 1l5b s PRO 51 Cb -0.21 -2.19 0.09 0.00 0.05 0.00 0.00 34.50 32.24 1l5b s PRO 51 CO 0.24 -0.30 0.83 0.45 0.05 0.00 0.00 177.00 178.27 1l5b s SER 52 N -3.46 -0.57 -0.05 6.66 0.15 -1.26 -5.09 113.70 110.08 1l5b s SER 52 Ca 0.56 0.86 0.10 0.00 0.70 0.00 0.00 55.95 58.16 1l5b s SER 52 Cb -0.10 0.79 0.27 0.00 -1.71 0.00 0.00 66.02 65.26 1l5b s SER 52 CO 0.38 -0.36 1.21 -0.46 1.20 0.00 0.00 173.24 175.21 1l5b n ASN 53 N 1.58 2.80 0.00 5.45 6.94 -1.26 -4.84 115.26 125.93 1l5b n ASN 53 Ca -0.14 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 1l5b n ASN 53 Cb 0.56 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1l5b n ASN 53 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1l5b n PHE 54 N -0.17 0.00 0.29 -2.53 7.35 -1.26 -0.59 117.46 120.55 1l5b n PHE 54 Ca 0.11 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.96 1l5b n PHE 54 Cb 0.49 -0.38 0.87 0.00 0.35 0.00 0.00 39.48 40.81 1l5b n PHE 54 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 1l5b h ILE 55 N 0.00 0.36 -0.01 -2.13 -0.00 -1.89 -0.13 117.51 113.70 1l5b h ILE 55 Ca 0.00 -0.32 -0.13 0.00 -0.00 0.00 0.00 64.86 64.40 1l5b h ILE 55 Cb 0.00 1.23 -0.02 0.00 -0.00 0.00 0.00 36.82 38.03 1l5b h ILE 55 CO 0.00 0.06 -0.62 -0.33 -0.00 0.00 0.00 178.15 177.26 1l5b h GLU 56 N 0.00 0.05 -0.06 0.16 5.08 -1.82 -3.33 114.58 114.66 1l5b h GLU 56 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1l5b h GLU 56 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1l5b h GLU 56 CO 0.01 0.65 0.00 0.25 -1.00 0.00 0.00 179.01 178.92 1l5b n THR 57 N -3.82 1.28 -4.16 1.13 -2.24 0.24 -5.05 114.28 101.67 1l5b n THR 57 Ca -0.01 -1.35 -0.13 0.00 -2.27 0.00 0.00 64.05 60.28 1l5b n THR 57 Cb 0.62 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 1l5b n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l5b s ARG 59 N -2.89 1.24 -0.83 0.00 1.70 0.23 -4.72 118.95 113.67 1l5b s ARG 59 Ca 0.05 -1.31 -0.03 0.00 -0.47 0.00 0.00 55.73 53.97 1l5b s ARG 59 Cb -0.02 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1l5b s ARG 59 CO -0.01 -0.45 0.74 0.09 -1.08 0.00 0.00 175.30 174.58 1l5b n ASN 60 N -0.26 -7.10 -4.79 -2.89 3.02 -1.26 -0.90 115.26 101.08 1l5b n ASN 60 Ca -0.04 -0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 53.77 1l5b n ASN 60 Cb 0.63 -4.76 -0.06 0.00 -0.61 0.00 0.00 39.78 34.98 1l5b n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1l5b s THR 61 N -3.10 4.49 -0.05 3.41 -4.23 -1.26 -4.34 115.64 110.55 1l5b s THR 61 Ca 0.12 1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 62.08 1l5b s THR 61 Cb -0.02 -4.03 0.01 0.00 1.34 0.00 0.00 72.50 69.80 1l5b s THR 61 CO 0.77 0.46 0.15 -1.10 -0.54 0.00 0.00 174.62 174.37 1l5b s GLN 62 N -1.32 0.23 -0.10 3.99 -0.21 -0.67 -4.97 119.66 116.62 1l5b s GLN 62 Ca 0.36 0.11 -0.29 0.00 0.02 0.00 0.00 55.36 55.56 1l5b s GLN 62 Cb -0.21 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 33.89 1l5b s GLN 62 CO 0.24 -0.04 0.99 -1.17 -2.12 0.00 0.00 175.29 173.19 1l5b s LEU 63 N -0.16 4.26 -0.03 2.90 2.96 -1.26 -0.73 118.68 126.61 1l5b s LEU 63 Ca -0.02 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.45 1l5b s LEU 63 Cb -0.02 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1l5b s LEU 63 CO 0.00 -0.41 -0.16 0.00 -1.32 0.00 0.00 176.35 174.46 1l5b s ALA 64 N 1.87 2.61 0.00 5.97 0.00 0.12 -4.94 121.76 127.38 1l5b s ALA 64 Ca 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1l5b s ALA 64 Cb -0.18 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1l5b s ALA 64 CO 0.19 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.92 1l5b n GLY 65 N 2.18 0.97 0.11 0.00 0.00 -1.26 -3.12 105.19 104.08 1l5b n GLY 65 Ca -0.17 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 1l5b n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1l5b h SER 66 N 5.95 0.00 0.00 1.61 0.02 -2.04 -3.43 113.55 115.66 1l5b h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1l5b h SER 66 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1l5b h SER 66 CO 0.00 0.73 0.00 -1.54 -1.14 0.00 0.00 176.83 174.88 1l5b n SER 67 N -3.59 0.00 -4.60 3.07 3.41 -1.25 -5.03 113.62 105.63 1l5b n SER 67 Ca -0.01 -0.77 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 1l5b n SER 67 Cb 0.73 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1l5b n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1l5b s GLU 68 N 0.00 3.68 0.02 4.33 8.01 -1.18 -1.00 118.70 132.55 1l5b s GLU 68 Ca 0.00 0.49 -0.30 0.00 0.01 0.00 0.00 54.97 55.17 1l5b s GLU 68 Cb 0.00 -3.93 -0.05 0.00 -4.31 0.00 0.00 34.13 25.84 1l5b s GLU 68 CO 0.00 -1.43 1.26 -1.17 0.01 0.00 0.00 175.26 173.93 1l5b s LEU 69 N 4.51 4.33 0.21 1.80 0.20 -0.30 0.10 118.68 129.54 1l5b s LEU 69 Ca 0.47 2.00 0.11 0.00 0.69 0.00 0.00 54.13 57.40 1l5b s LEU 69 Cb -0.07 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.07 1l5b s LEU 69 CO 0.31 -0.57 -0.21 0.00 -0.29 0.00 0.00 176.35 175.58 1l5b s ALA 70 N 1.71 2.64 0.18 5.97 0.00 0.09 -2.25 121.76 130.09 1l5b s ALA 70 Ca 0.59 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1l5b s ALA 70 Cb -0.29 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1l5b s ALA 70 CO 0.26 0.39 0.66 0.00 0.00 0.00 0.00 175.76 177.08 1l5b n ALA 71 N 0.01 -1.64 -2.68 0.00 0.00 -0.46 -1.67 120.51 114.06 1l5b n ALA 71 Ca -0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.33 1l5b n ALA 71 Cb 0.57 0.50 -0.15 0.00 0.00 0.00 0.00 19.45 20.37 1l5b n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1l5b s GLU 72 N -2.04 1.41 0.10 0.00 2.02 -0.08 -3.14 118.70 116.96 1l5b s GLU 72 Ca 0.14 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.65 1l5b s GLU 72 Cb -0.02 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.86 1l5b s GLU 72 CO 0.05 0.30 -0.19 0.00 0.02 0.00 0.00 175.26 175.44 1l5b s LYS 74 N -1.88 4.51 0.66 0.00 2.20 -0.41 -2.40 119.74 122.42 1l5b s LYS 74 Ca 0.04 1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 56.69 1l5b s LYS 74 Cb -0.10 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1l5b s LYS 74 CO 0.04 0.08 1.02 0.95 -0.36 0.00 0.00 175.35 177.08 1l5b s THR 75 N 0.64 3.51 0.52 3.43 -4.23 -0.99 -4.82 115.64 113.71 1l5b s THR 75 Ca 0.43 0.28 0.39 0.00 -1.18 0.00 0.00 61.69 61.61 1l5b s THR 75 Cb -0.20 -3.45 0.60 0.00 1.34 0.00 0.00 72.50 70.79 1l5b s THR 75 CO 0.23 -0.55 1.70 0.03 -0.54 0.00 0.00 174.62 175.49 1l5b h ARG 76 N -0.48 0.04 -0.33 3.99 2.47 -1.97 0.28 114.38 118.39 1l5b h ARG 76 Ca -0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1l5b h ARG 76 Cb 1.26 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1l5b h ARG 76 CO 0.63 0.03 0.00 0.00 0.56 0.00 0.00 179.97 181.18 1l5b n ALA 77 N -2.77 2.49 -2.05 0.04 0.00 -1.26 -4.89 120.51 112.06 1l5b n ALA 77 Ca 0.34 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 1l5b n ALA 77 Cb 1.52 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1l5b n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1l5b n GLN 78 N 0.36 -0.42 -4.42 0.00 1.13 0.99 -5.04 117.38 109.98 1l5b n GLN 78 Ca 0.10 0.28 -0.33 0.00 -1.94 0.00 0.00 57.00 55.10 1l5b n GLN 78 Cb 0.27 -4.07 -0.15 0.00 0.11 0.00 0.00 30.24 26.40 1l5b n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1l5b s GLN 79 N -4.18 3.26 0.15 -1.09 -0.21 -1.25 -4.76 119.66 111.58 1l5b s GLN 79 Ca 0.00 -0.72 -0.31 0.00 0.02 0.00 0.00 55.36 54.34 1l5b s GLN 79 Cb 0.00 -2.69 -0.10 0.00 1.00 0.00 0.00 33.01 31.22 1l5b s GLN 79 CO 0.00 -0.01 1.54 -0.06 -2.12 0.00 0.00 175.29 174.64 1l5b s PHE 80 N 0.89 3.06 0.00 0.91 0.40 -1.25 -2.34 117.98 119.65 1l5b s PHE 80 Ca -0.03 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1l5b s PHE 80 Cb -0.15 -3.88 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1l5b s PHE 80 CO -0.01 -3.25 0.00 1.33 0.70 0.00 0.00 175.22 173.99 1l5b n VAL 81 N 4.02 0.00 -3.36 -0.44 0.24 -1.01 -4.95 118.33 112.84 1l5b n VAL 81 Ca 0.14 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.24 1l5b n VAL 81 Cb 0.39 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.75 1l5b n VAL 81 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1l5b s SER 82 N 0.16 5.31 0.00 -1.34 0.01 -1.26 -3.45 113.70 113.13 1l5b s SER 82 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1l5b s SER 82 Cb 0.00 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1l5b s SER 82 CO 0.00 -0.68 0.00 0.41 0.41 0.00 0.00 173.24 173.38 1l5b n THR 83 N -1.66 0.00 -4.36 1.44 -1.04 -1.19 -4.79 114.28 102.68 1l5b n THR 83 Ca 0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.87 1l5b n THR 83 Cb 0.61 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.01 1l5b n THR 83 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1l5b s LYS 84 N 0.00 1.39 -0.28 -2.82 1.02 -1.26 -1.36 119.74 116.43 1l5b s LYS 84 Ca 0.00 -1.67 -0.23 0.00 0.02 0.00 0.00 55.97 54.09 1l5b s LYS 84 Cb 0.00 -0.98 0.10 0.00 -0.52 0.00 0.00 37.83 36.43 1l5b s LYS 84 CO 0.00 0.06 0.85 0.96 -0.92 0.00 0.00 175.35 176.30 1l5b s ILE 85 N -3.11 0.00 -0.55 2.17 -4.36 -0.95 -5.01 121.20 109.39 1l5b s ILE 85 Ca 0.26 0.00 -0.25 0.00 -0.26 0.00 0.00 60.65 60.40 1l5b s ILE 85 Cb 0.03 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.77 1l5b s ILE 85 CO 0.08 0.00 1.00 0.21 0.24 0.00 0.00 174.94 176.47 1l5b s ASN 86 N 0.57 6.38 0.56 4.36 3.84 -1.26 -1.15 114.94 128.24 1l5b s ASN 86 Ca -0.01 -0.19 0.26 0.00 0.21 0.00 0.00 52.86 53.13 1l5b s ASN 86 Cb -0.05 -2.46 1.65 0.00 -0.55 0.00 0.00 41.25 39.84 1l5b s ASN 86 CO -0.06 -1.26 2.21 -0.07 -2.79 0.00 0.00 177.10 175.13 1l5b h LEU 87 N 11.13 0.00 0.00 3.21 3.38 -1.44 -1.97 115.31 129.62 1l5b h LEU 87 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1l5b h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1l5b h LEU 87 CO 1.10 0.02 0.00 0.47 0.09 0.00 0.00 178.44 180.12 1l5b n ASP 88 N -3.97 0.00 -0.11 -0.43 8.00 -1.25 -0.80 116.55 117.99 1l5b n ASP 88 Ca -0.03 -0.35 -0.05 0.00 0.71 0.00 0.00 54.79 55.08 1l5b n ASP 88 Cb 0.11 -0.15 0.14 0.00 -0.02 0.00 0.00 41.12 41.20 1l5b n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1l5b h ASP 89 N 0.00 0.78 0.00 -2.24 3.32 -1.73 -3.39 116.42 113.17 1l5b h ASP 89 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1l5b h ASP 89 Cb 0.10 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1l5b h ASP 89 CO 0.00 0.86 0.00 1.41 -1.72 0.00 0.00 179.24 179.79 1l5b n HIS 90 N -4.20 0.00 -3.59 4.55 8.25 -1.16 -4.98 115.22 114.09 1l5b n HIS 90 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1l5b n HIS 90 Cb 0.32 0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 1l5b n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1l5b s ILE 91 N 0.00 5.29 0.14 1.59 -1.09 0.02 -0.64 121.20 126.52 1l5b s ILE 91 Ca 0.00 0.54 0.05 0.00 -2.23 0.00 0.00 60.65 59.01 1l5b s ILE 91 Cb 0.00 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1l5b s ILE 91 CO 0.00 0.46 -0.12 0.00 -1.23 0.00 0.00 174.94 174.05 1l5b s ALA 92 N -0.05 1.50 -0.30 9.38 0.00 0.74 -4.66 121.76 128.37 1l5b s ALA 92 Ca 0.17 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 1l5b s ALA 92 Cb -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1l5b s ALA 92 CO 0.05 -0.02 0.09 1.21 0.00 0.00 0.00 175.76 177.09 1l5b s ASN 93 N -2.95 5.20 -0.45 0.00 3.04 -1.26 0.21 114.94 118.73 1l5b s ASN 93 Ca 0.14 -0.74 -0.12 0.00 0.04 0.00 0.00 52.86 52.19 1l5b s ASN 93 Cb -0.00 -1.90 0.08 0.00 -1.54 0.00 0.00 41.25 37.90 1l5b s ASN 93 CO 0.02 -0.21 0.33 -0.63 -3.04 0.00 0.00 177.10 173.57 1l5b s ILE 94 N 1.50 4.65 -1.45 -5.21 -1.09 0.35 -4.71 121.20 115.24 1l5b s ILE 94 Ca 0.02 -1.32 -0.03 0.00 -2.23 0.00 0.00 60.65 57.09 1l5b s ILE 94 Cb -0.17 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1l5b s ILE 94 CO 0.03 -0.58 0.49 -0.67 -1.23 0.00 0.00 174.94 172.98 1l5b n ASP 95 N 5.04 -0.86 -0.02 3.58 4.64 -1.26 -1.64 116.55 126.03 1l5b n ASP 95 Ca -0.11 -1.00 -0.00 0.00 -1.38 0.00 0.00 54.79 52.30 1l5b n ASP 95 Cb 0.43 -3.05 -0.00 0.00 -1.04 0.00 0.00 41.12 37.46 1l5b n ASP 95 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1l5b n GLY 96 N -1.90 0.40 2.77 0.27 0.00 -1.26 -5.02 105.19 100.45 1l5b n GLY 96 Ca -0.25 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1l5b n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l5b s THR 97 N -2.01 -0.16 0.16 2.61 2.01 -0.65 -5.12 115.64 112.48 1l5b s THR 97 Ca 0.00 0.36 -0.32 0.00 0.31 0.00 0.00 61.69 62.05 1l5b s THR 97 Cb 0.00 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.20 1l5b s THR 97 CO 0.00 0.15 1.56 -0.76 -0.69 0.00 0.00 174.62 174.88 1l5b s LEU 98 N 2.05 4.37 0.02 4.42 1.43 -1.26 0.13 118.68 129.84 1l5b s LEU 98 Ca 0.02 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.73 1l5b s LEU 98 Cb -0.12 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1l5b s LEU 98 CO -0.04 -0.82 -0.04 -0.54 0.23 0.00 0.00 176.35 175.14 1l5b s LYS 99 N 1.13 0.34 -0.39 1.70 1.02 0.56 -4.87 119.74 119.24 1l5b s LYS 99 Ca 0.70 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.94 1l5b s LYS 99 Cb -0.43 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1l5b s LYS 99 CO 0.31 0.01 0.98 -0.47 -0.92 0.00 0.00 175.35 175.27 1l5b s TYR 100 N -0.97 3.03 0.00 3.18 5.04 -1.25 0.26 117.35 126.64 1l5b s TYR 100 Ca -0.09 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 1l5b s TYR 100 Cb -0.07 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1l5b s TYR 100 CO -0.00 -0.92 0.01 -0.85 -1.34 0.00 0.00 175.55 172.45