#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5l s ARG 4 N 0.00 0.36 0.31 -0.52 1.81 -1.26 -5.04 118.95 114.61 1i5l s ARG 4 Ca 0.00 0.37 0.07 0.00 -1.72 0.00 0.00 55.73 54.46 1i5l s ARG 4 Cb 0.00 -0.46 0.82 0.00 -0.45 0.00 0.00 34.95 34.86 1i5l s ARG 4 CO 0.00 -0.77 1.73 -1.35 -0.68 0.00 0.00 175.30 174.22 1i5l h PRO 5 N 8.18 0.55 0.00 3.54 0.11 -2.07 0.16 132.00 142.48 1i5l h PRO 5 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1i5l h PRO 5 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i5l h PRO 5 CO 0.28 0.36 0.00 -0.07 -0.21 0.00 0.00 178.00 178.36 1i5l h LEU 6 N 0.56 0.00 0.00 2.35 3.38 -2.01 -2.21 115.31 117.39 1i5l h LEU 6 Ca 0.61 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.38 1i5l h LEU 6 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1i5l h LEU 6 CO -0.47 0.00 -0.98 0.44 0.09 0.00 0.00 178.44 177.52 1i5l h ASP 7 N 0.00 0.00 -0.15 -0.43 3.32 -1.10 -3.11 116.42 114.95 1i5l h ASP 7 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1i5l h ASP 7 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i5l h ASP 7 CO 0.00 0.94 -0.52 0.58 -1.72 0.00 0.00 179.24 178.52 1i5l h VAL 8 N 0.00 1.30 -0.28 -1.35 2.07 -1.29 -2.67 116.25 114.02 1i5l h VAL 8 Ca -0.03 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.77 1i5l h VAL 8 Cb 1.73 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1i5l h VAL 8 CO 0.12 0.55 0.18 -0.07 0.02 0.00 0.00 177.57 178.37 1i5l h LEU 9 N 0.56 0.30 -0.99 2.57 3.38 -1.57 -2.62 115.31 116.94 1i5l h LEU 9 Ca 0.02 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1i5l h LEU 9 Cb 1.09 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1i5l h LEU 9 CO 0.11 0.22 0.64 -1.13 0.09 0.00 0.00 178.44 178.36 1i5l h ASN 10 N 0.36 1.01 0.00 -0.43 -0.73 -1.46 0.16 115.58 114.49 1i5l h ASN 10 Ca 0.10 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1i5l h ASN 10 Cb -0.03 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.36 1i5l h ASN 10 CO -0.03 0.63 0.00 -1.14 -0.37 0.00 0.00 177.43 176.52 1i5l n ARG 11 N -4.53 0.40 -0.01 6.67 0.63 -0.99 -2.04 116.66 116.80 1i5l n ARG 11 Ca 0.16 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.09 1i5l n ARG 11 Cb 0.20 -1.43 0.01 0.00 0.45 0.00 0.00 32.46 31.69 1i5l n ARG 11 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i5l n SER 12 N -0.93 1.48 -4.64 6.15 7.64 0.56 -5.04 113.62 118.84 1i5l n SER 12 Ca 0.08 -1.42 -0.37 0.00 1.01 0.00 0.00 58.87 58.18 1i5l n SER 12 Cb 0.04 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.30 1i5l n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i5l n LEU 13 N -0.12 4.25 -0.13 -3.43 4.77 -0.86 -2.16 117.00 119.31 1i5l n LEU 13 Ca 0.01 0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 56.73 1i5l n LEU 13 Cb 0.12 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 39.76 1i5l n LEU 13 CO 0.01 -1.72 -0.02 0.29 -1.33 0.00 0.00 177.39 174.63 1i5l n LYS 14 N -1.59 -1.74 -4.44 3.23 5.02 0.14 -4.96 118.16 113.83 1i5l n LYS 14 Ca 0.14 0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 56.71 1i5l n LYS 14 Cb 0.48 -4.84 -0.10 0.00 -0.02 0.00 0.00 35.03 30.55 1i5l n LYS 14 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1i5l s SER 15 N -2.07 3.38 0.27 4.39 1.04 -0.92 -4.89 113.70 114.90 1i5l s SER 15 Ca 0.00 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.12 1i5l s SER 15 Cb 0.00 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.76 1i5l s SER 15 CO 0.00 0.01 1.20 -2.16 0.98 0.00 0.00 173.24 173.27 1i5l s PRO 16 N -3.47 4.50 0.38 4.02 0.04 -1.26 -1.17 135.00 138.03 1i5l s PRO 16 Ca 0.28 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.34 1i5l s PRO 16 Cb -0.04 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1i5l s PRO 16 CO 0.13 -0.01 0.22 0.14 0.04 0.00 0.00 177.00 177.52 1i5l s VAL 17 N -0.82 0.24 -0.12 -0.36 -7.23 0.31 -2.09 120.40 110.33 1i5l s VAL 17 Ca 0.49 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1i5l s VAL 17 Cb -0.35 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.23 1i5l s VAL 17 CO 0.43 0.00 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.59 1i5l s ILE 18 N -3.31 0.61 -0.11 -0.62 1.01 0.32 -2.77 121.20 116.33 1i5l s ILE 18 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1i5l s ILE 18 Cb 0.02 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1i5l s ILE 18 CO 0.22 0.13 -0.06 -0.69 0.00 0.00 0.00 174.94 174.53 1i5l s VAL 19 N 1.86 3.72 -0.11 2.92 1.01 -0.65 -1.38 120.40 127.77 1i5l s VAL 19 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1i5l s VAL 19 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1i5l s VAL 19 CO -0.07 0.55 -0.19 -0.60 0.00 0.00 0.00 175.10 174.80 1i5l s ARG 20 N -0.29 3.20 0.18 2.72 3.52 -0.92 0.00 118.95 127.36 1i5l s ARG 20 Ca 0.04 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1i5l s ARG 20 Cb -0.13 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1i5l s ARG 20 CO 0.02 0.20 0.16 -0.51 -0.81 0.00 0.00 175.30 174.37 1i5l s LEU 21 N 0.33 3.85 0.43 -0.88 1.43 -0.03 -0.34 118.68 123.47 1i5l s LEU 21 Ca -0.15 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1i5l s LEU 21 Cb -0.17 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 1i5l s LEU 21 CO 0.07 0.05 1.13 0.29 0.23 0.00 0.00 176.35 178.12 1i5l n LYS 22 N -0.49 1.58 0.00 1.70 5.02 -0.65 -3.11 118.16 122.22 1i5l n LYS 22 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1i5l n LYS 22 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1i5l n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5l n GLY 23 N 1.02 1.97 0.00 0.72 0.00 -1.26 -4.53 105.19 103.11 1i5l n GLY 23 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1i5l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5l n GLY 24 N 0.00 0.00 3.79 -0.02 0.00 -1.18 -5.16 105.19 102.62 1i5l n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i5l n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5l s ARG 25 N 0.00 3.33 0.01 1.61 1.81 -1.26 -4.63 118.95 119.82 1i5l s ARG 25 Ca 0.00 1.38 -0.00 0.00 -1.72 0.00 0.00 55.73 55.39 1i5l s ARG 25 Cb 0.00 -2.02 -0.01 0.00 -0.45 0.00 0.00 34.95 32.47 1i5l s ARG 25 CO 0.00 -0.83 -0.01 -1.21 -0.68 0.00 0.00 175.30 172.57 1i5l s GLU 26 N -3.68 0.12 0.21 3.54 2.02 -0.68 -0.85 118.70 119.38 1i5l s GLU 26 Ca 0.67 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 55.49 1i5l s GLU 26 Cb -0.19 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 1i5l s GLU 26 CO 0.31 -0.02 0.14 -0.06 0.02 0.00 0.00 175.26 175.65 1i5l s PHE 27 N -0.56 3.07 -0.15 1.61 0.40 0.10 0.11 117.98 122.57 1i5l s PHE 27 Ca -0.06 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1i5l s PHE 27 Cb -0.04 -1.43 0.05 0.00 0.51 0.00 0.00 43.02 42.11 1i5l s PHE 27 CO -0.00 0.53 0.06 0.50 0.70 0.00 0.00 175.22 177.00 1i5l s ARG 28 N -3.42 0.29 -0.00 0.44 3.52 -0.72 -1.63 118.95 117.43 1i5l s ARG 28 Ca 0.31 -0.11 -0.28 0.00 -0.13 0.00 0.00 55.73 55.52 1i5l s ARG 28 Cb -0.09 -1.66 0.09 0.00 -1.56 0.00 0.00 34.95 31.74 1i5l s ARG 28 CO 0.23 -0.58 1.27 0.20 -0.81 0.00 0.00 175.30 175.62 1i5l s GLY 29 N 2.04 -0.12 -0.27 8.12 0.00 -1.12 -1.25 107.32 114.73 1i5l s GLY 29 Ca 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 1i5l s GLY 29 CO -0.07 5.30 1.15 -1.59 0.00 0.00 0.00 173.10 177.88 1i5l s THR 30 N -2.04 4.43 -0.30 0.90 2.01 -0.76 -0.53 115.64 119.35 1i5l s THR 30 Ca 0.29 1.67 -0.28 0.00 0.31 0.00 0.00 61.69 63.68 1i5l s THR 30 Cb -0.01 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1i5l s THR 30 CO -0.00 -0.36 2.09 -0.22 -0.69 0.00 0.00 174.62 175.44 1i5l s LEU 31 N 3.68 3.45 -0.02 4.42 2.96 -0.32 -1.41 118.68 131.44 1i5l s LEU 31 Ca 0.49 1.55 0.19 0.00 -0.22 0.00 0.00 54.13 56.14 1i5l s LEU 31 Cb -0.15 -3.37 -0.26 0.00 0.50 0.00 0.00 46.19 42.91 1i5l s LEU 31 CO 0.15 -2.00 0.56 -0.67 -1.32 0.00 0.00 176.35 173.07 1i5l n ASP 32 N 11.76 0.70 0.00 3.68 2.03 0.43 0.29 116.55 135.43 1i5l n ASP 32 Ca 0.28 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1i5l n ASP 32 Cb 0.47 1.56 0.00 0.00 -0.72 0.00 0.00 41.12 42.42 1i5l n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i5l n GLY 33 N 1.42 0.46 3.83 0.27 0.00 -1.13 -4.82 105.19 105.21 1i5l n GLY 33 Ca -0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1i5l n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i5l s TYR 34 N -2.00 0.12 0.29 1.61 -0.85 -1.26 -1.63 117.35 113.63 1i5l s TYR 34 Ca 0.00 -0.73 -0.18 0.00 -0.52 0.00 0.00 57.07 55.63 1i5l s TYR 34 Cb 0.00 0.81 0.02 0.00 0.38 0.00 0.00 41.96 43.17 1i5l s TYR 34 CO 0.00 -1.41 0.68 0.16 -1.52 0.00 0.00 175.55 173.46 1i5l s ASP 35 N -3.18 -0.17 0.19 -0.18 1.47 -1.11 -4.94 116.67 108.75 1i5l s ASP 35 Ca 0.18 -0.75 -0.06 0.00 1.18 0.00 0.00 52.55 53.10 1i5l s ASP 35 Cb -0.04 0.72 0.32 0.00 -0.34 0.00 0.00 42.92 43.57 1i5l s ASP 35 CO 0.10 -1.35 1.08 0.00 0.68 0.00 0.00 175.17 175.68 1i5l n ILE 36 N -0.46 -0.29 0.33 2.11 0.13 -1.26 0.23 119.36 120.15 1i5l n ILE 36 Ca -0.04 1.59 0.15 0.00 -1.10 0.00 0.00 62.75 63.34 1i5l n ILE 36 Cb 0.60 -2.19 0.54 0.00 -0.84 0.00 0.00 39.64 37.75 1i5l n ILE 36 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 1i5l h HIS 37 N 0.00 0.00 -0.01 9.51 3.86 -2.02 -3.46 115.15 123.02 1i5l h HIS 37 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1i5l h HIS 37 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1i5l h HIS 37 CO -0.53 0.00 0.00 -0.12 0.86 0.00 0.00 177.93 178.14 1i5l n MET 38 N -2.81 0.00 -2.35 2.45 1.56 0.61 -4.60 117.12 111.99 1i5l n MET 38 Ca 0.02 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.07 1i5l n MET 38 Cb 0.33 -1.75 -0.02 0.00 2.15 0.00 0.00 33.22 33.92 1i5l n MET 38 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1i5l s ASN 39 N -2.50 6.58 0.44 6.12 0.01 -1.25 -4.11 114.94 120.24 1i5l s ASN 39 Ca 0.00 2.28 0.06 0.00 -0.71 0.00 0.00 52.86 54.49 1i5l s ASN 39 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1i5l s ASN 39 CO 0.00 -0.63 0.12 -0.76 -1.51 0.00 0.00 177.10 174.32 1i5l s LEU 40 N -2.50 2.86 -0.15 0.60 1.43 -0.87 -2.74 118.68 117.31 1i5l s LEU 40 Ca 0.57 -1.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1i5l s LEU 40 Cb -0.29 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 44.88 1i5l s LEU 40 CO 0.36 -0.63 0.25 -0.69 0.23 0.00 0.00 176.35 175.88 1i5l s VAL 41 N -2.70 -0.39 0.13 -1.59 1.01 -0.64 -1.99 120.40 114.23 1i5l s VAL 41 Ca 0.32 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1i5l s VAL 41 Cb 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1i5l s VAL 41 CO 0.17 0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.39 1i5l s LEU 42 N 2.40 2.76 0.09 3.92 1.43 -0.92 -0.43 118.68 127.92 1i5l s LEU 42 Ca 0.03 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1i5l s LEU 42 Cb -0.13 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1i5l s LEU 42 CO -0.09 0.16 -0.14 -0.76 0.23 0.00 0.00 176.35 175.75 1i5l s LEU 43 N -2.27 2.84 -0.95 1.79 1.43 -0.50 -2.35 118.68 118.67 1i5l s LEU 43 Ca 0.19 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 1i5l s LEU 43 Cb -0.10 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1i5l s LEU 43 CO 0.11 0.20 0.57 0.47 0.23 0.00 0.00 176.35 177.94 1i5l n ASP 44 N 0.99 -3.80 -4.76 2.29 9.92 0.31 -1.83 116.55 119.66 1i5l n ASP 44 Ca -0.15 -1.05 -0.22 0.00 -0.53 0.00 0.00 54.79 52.83 1i5l n ASP 44 Cb 0.52 -1.39 -0.05 0.00 -0.64 0.00 0.00 41.12 39.56 1i5l n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i5l s ALA 45 N -3.41 3.50 0.13 2.24 0.00 -0.55 -4.57 121.76 119.10 1i5l s ALA 45 Ca 0.28 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.72 1i5l s ALA 45 Cb -0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1i5l s ALA 45 CO 0.83 0.16 -0.24 -1.21 0.00 0.00 0.00 175.76 175.30 1i5l s GLU 46 N -3.83 1.32 -0.33 0.00 2.02 -0.38 -1.37 118.70 116.14 1i5l s GLU 46 Ca 0.35 -1.32 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 1i5l s GLU 46 Cb -0.06 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.47 1i5l s GLU 46 CO 0.23 0.40 0.16 -2.00 0.02 0.00 0.00 175.26 174.07 1i5l s GLU 47 N -2.12 3.17 -0.15 1.61 2.12 0.33 -1.75 118.70 121.91 1i5l s GLU 47 Ca 0.13 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 1i5l s GLU 47 Cb -0.10 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1i5l s GLU 47 CO 0.06 -0.49 0.06 0.42 -0.54 0.00 0.00 175.26 174.77 1i5l s ILE 48 N 1.58 4.81 -0.14 -3.70 1.01 0.12 -0.25 121.20 124.63 1i5l s ILE 48 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1i5l s ILE 48 Cb -0.18 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.19 1i5l s ILE 48 CO 0.06 0.52 -0.13 -1.58 0.00 0.00 0.00 174.94 173.81 1i5l s GLN 49 N -0.13 2.13 -0.92 2.79 0.74 -0.29 -1.68 119.66 122.30 1i5l s GLN 49 Ca 0.07 -0.49 -0.10 0.00 0.05 0.00 0.00 55.36 54.88 1i5l s GLN 49 Cb -0.12 -1.98 0.10 0.00 1.10 0.00 0.00 33.01 32.11 1i5l s GLN 49 CO 0.01 -0.23 0.26 -1.71 -0.55 0.00 0.00 175.29 173.07 1i5l n ASN 50 N 4.77 -0.72 0.00 6.67 2.85 -1.26 -1.13 115.26 126.43 1i5l n ASN 50 Ca -0.16 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.68 1i5l n ASN 50 Cb 0.50 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1i5l n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i5l n GLY 51 N -0.92 3.27 3.96 8.20 0.00 -1.26 -5.10 105.19 113.34 1i5l n GLY 51 Ca 0.03 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1i5l n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i5l s GLU 52 N 0.00 3.44 -0.69 1.61 -1.05 -0.28 -5.04 118.70 116.69 1i5l s GLU 52 Ca 0.00 -0.69 -0.26 0.00 -0.15 0.00 0.00 54.97 53.87 1i5l s GLU 52 Cb 0.00 -2.90 0.04 0.00 -0.44 0.00 0.00 34.13 30.83 1i5l s GLU 52 CO 0.00 0.44 1.17 0.08 0.95 0.00 0.00 175.26 177.90 1i5l s VAL 53 N -1.93 3.94 -0.67 1.83 1.01 -1.26 -1.14 120.40 122.19 1i5l s VAL 53 Ca 0.35 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1i5l s VAL 53 Cb -0.10 -4.82 0.23 0.00 0.00 0.00 0.00 36.38 31.70 1i5l s VAL 53 CO 0.29 -1.66 0.93 1.33 0.00 0.00 0.00 175.10 176.00 1i5l n VAL 54 N 6.29 0.95 0.00 2.92 0.24 0.65 -4.91 118.33 124.47 1i5l n VAL 54 Ca 0.02 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1i5l n VAL 54 Cb 0.48 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1i5l n VAL 54 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1i5l n ARG 55 N 0.15 0.00 -4.38 7.34 0.63 -1.25 -4.90 116.66 114.26 1i5l n ARG 55 Ca 0.10 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.77 1i5l n ARG 55 Cb 0.58 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.39 1i5l n ARG 55 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1i5l s LYS 56 N -3.57 1.80 -0.21 -0.14 1.02 -1.26 -0.51 119.74 116.87 1i5l s LYS 56 Ca 0.00 -1.49 -0.17 0.00 0.02 0.00 0.00 55.97 54.33 1i5l s LYS 56 Cb 0.00 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.41 1i5l s LYS 56 CO 0.00 0.39 0.55 0.14 -0.92 0.00 0.00 175.35 175.51 1i5l s VAL 57 N -1.93 -0.00 0.54 3.17 -7.23 -0.47 -5.00 120.40 109.47 1i5l s VAL 57 Ca 0.25 0.02 0.19 0.00 -1.81 0.00 0.00 61.98 60.63 1i5l s VAL 57 Cb -0.07 -0.78 0.29 0.00 0.56 0.00 0.00 36.38 36.38 1i5l s VAL 57 CO 0.14 0.01 2.17 1.23 -0.31 0.00 0.00 175.10 178.33 1i5l h GLY 58 N 5.85 0.00 -3.93 2.32 0.00 -1.94 -1.47 103.07 103.90 1i5l h GLY 58 Ca -0.30 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.22 1i5l h GLY 58 CO 0.18 0.00 0.71 -1.35 0.00 0.00 0.00 176.54 176.08 1i5l s SER 59 N -6.85 -0.22 0.07 0.19 1.04 -1.26 -0.53 113.70 106.14 1i5l s SER 59 Ca -0.05 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 1i5l s SER 59 Cb 0.17 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1i5l s SER 59 CO 0.64 -0.32 0.35 0.68 0.98 0.00 0.00 173.24 175.57 1i5l s VAL 60 N -2.17 0.08 -0.16 5.02 -7.23 -0.99 -5.00 120.40 109.95 1i5l s VAL 60 Ca 0.06 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1i5l s VAL 60 Cb -0.01 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.88 1i5l s VAL 60 CO -0.05 -0.36 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.50 1i5l s VAL 61 N -3.10 1.91 -0.22 1.32 1.01 -1.26 -2.17 120.40 117.89 1i5l s VAL 61 Ca -0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1i5l s VAL 61 Cb 0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1i5l s VAL 61 CO -0.07 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1i5l s ILE 62 N 1.16 4.20 0.18 2.22 1.01 -0.84 -4.96 121.20 124.17 1i5l s ILE 62 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.11 1i5l s ILE 62 Cb -0.14 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 1i5l s ILE 62 CO -0.08 0.39 1.72 -0.13 0.00 0.00 0.00 174.94 176.84 1i5l s ARG 63 N 1.18 4.14 0.17 2.79 1.81 -1.26 -2.05 118.95 125.73 1i5l s ARG 63 Ca 0.04 2.56 -0.14 0.00 -1.72 0.00 0.00 55.73 56.46 1i5l s ARG 63 Cb -0.14 -3.21 0.12 0.00 -0.45 0.00 0.00 34.95 31.26 1i5l s ARG 63 CO 0.02 -0.75 1.76 0.78 -0.68 0.00 0.00 175.30 176.43 1i5l h GLY 64 N 7.24 0.58 0.85 -3.53 0.00 -1.82 -2.21 103.07 104.18 1i5l h GLY 64 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1i5l h GLY 64 CO 0.95 0.04 0.19 1.34 0.00 0.00 0.00 176.54 179.05 1i5l n ASP 65 N -4.99 0.00 -0.27 0.19 4.64 -1.26 0.66 116.55 115.52 1i5l n ASP 65 Ca 0.03 0.18 0.08 0.00 -1.38 0.00 0.00 54.79 53.70 1i5l n ASP 65 Cb 0.16 -0.18 -0.02 0.00 -1.04 0.00 0.00 41.12 40.03 1i5l n ASP 65 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1i5l n THR 66 N -1.11 0.00 -3.32 5.18 -1.04 -0.83 -4.98 114.28 108.18 1i5l n THR 66 Ca 0.00 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.36 1i5l n THR 66 Cb 0.19 1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 69.78 1i5l n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i5l s VAL 67 N -2.06 4.81 -0.18 12.58 1.01 0.21 -1.64 120.40 135.13 1i5l s VAL 67 Ca 0.11 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 1i5l s VAL 67 Cb 0.13 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1i5l s VAL 67 CO 0.47 0.43 -0.28 0.52 0.00 0.00 0.00 175.10 176.24 1i5l n VAL 68 N 1.36 1.31 -3.60 2.92 0.31 0.54 -4.83 118.33 116.34 1i5l n VAL 68 Ca -0.09 -0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.01 1i5l n VAL 68 Cb 0.51 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 1i5l n VAL 68 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1i5l s PHE 69 N -2.54 -0.40 -0.10 3.52 -0.12 -1.23 -5.02 117.98 112.10 1i5l s PHE 69 Ca -0.28 0.49 0.03 0.00 -0.05 0.00 0.00 56.93 57.13 1i5l s PHE 69 Cb 0.08 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1i5l s PHE 69 CO 0.37 -0.60 -0.21 0.08 -0.05 0.00 0.00 175.22 174.81 1i5l s VAL 70 N -2.16 2.36 -0.00 -2.49 1.01 -1.26 -2.18 120.40 115.68 1i5l s VAL 70 Ca -0.07 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1i5l s VAL 70 Cb -0.01 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1i5l s VAL 70 CO 0.00 0.55 -0.06 -0.55 0.00 0.00 0.00 175.10 175.05 1i5l s SER 71 N 0.23 0.70 0.27 3.32 0.15 -0.48 -4.97 113.70 112.92 1i5l s SER 71 Ca -0.13 -0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 1i5l s SER 71 Cb -0.17 -0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 63.98 1i5l s SER 71 CO 0.07 0.06 1.27 -2.16 1.20 0.00 0.00 173.24 173.68 1i5l s PRO 72 N -0.20 4.42 1.12 5.44 0.04 -1.26 -0.52 135.00 144.03 1i5l s PRO 72 Ca 0.02 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 1i5l s PRO 72 Cb -0.03 -3.14 0.20 0.00 0.04 0.00 0.00 34.50 31.57 1i5l s PRO 72 CO -0.00 -0.14 0.69 0.00 0.04 0.00 0.00 177.00 177.59 1i5l n ALA 73 N 1.64 -3.01 0.00 8.56 0.00 -0.89 -4.83 120.51 121.98 1i5l n ALA 73 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1i5l n ALA 73 Cb 0.43 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1i5l n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20