#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 0.37 0.11 -0.52 3.52 -1.26 -5.05 118.95 116.11 1i5l s ARG 4 Ca 0.00 0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 56.14 1i5l s ARG 4 Cb 0.00 -0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1i5l s ARG 4 CO 0.00 -0.54 0.98 -2.30 -0.81 0.00 0.00 175.30 172.63 1i5l n PRO 5 N 5.38 -0.25 -0.29 5.12 -0.02 -1.26 0.19 135.00 143.87 1i5l n PRO 5 Ca -0.05 0.96 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 1i5l n PRO 5 Cb 0.50 -1.42 0.44 0.00 -0.02 0.00 0.00 33.50 33.00 1i5l n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i5l h LEU 6 N 0.00 0.56 -0.99 2.45 3.38 -2.00 -0.14 115.31 118.56 1i5l h LEU 6 Ca 0.13 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1i5l h LEU 6 Cb 0.29 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1i5l h LEU 6 CO -0.60 0.21 -0.08 0.44 0.09 0.00 0.00 178.44 178.50 1i5l h ASP 7 N 0.55 0.62 -0.44 -0.43 3.32 0.17 -2.23 116.42 117.98 1i5l h ASP 7 Ca 0.52 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 1i5l h ASP 7 Cb 1.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1i5l h ASP 7 CO -0.26 0.74 -0.08 0.58 -1.72 0.00 0.00 179.24 178.50 1i5l h VAL 8 N 0.59 1.26 0.22 -1.35 2.07 -0.63 -1.82 116.25 116.59 1i5l h VAL 8 Ca 0.11 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1i5l h VAL 8 Cb 0.49 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1i5l h VAL 8 CO 0.03 0.41 -0.16 -0.07 0.02 0.00 0.00 177.57 177.80 1i5l h LEU 9 N 0.81 -0.42 -0.62 2.57 3.38 -1.12 -2.62 115.31 117.29 1i5l h LEU 9 Ca 0.14 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1i5l h LEU 9 Cb 0.59 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1i5l h LEU 9 CO 0.04 -0.25 0.12 -1.13 0.09 0.00 0.00 178.44 177.30 1i5l h ASN 10 N -0.38 -0.03 0.00 -0.43 -0.73 -1.14 0.45 115.58 113.32 1i5l h ASN 10 Ca -0.01 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1i5l h ASN 10 Cb 0.34 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.10 1i5l h ASN 10 CO -0.01 -0.01 0.00 -1.14 -0.37 0.00 0.00 177.43 175.90 1i5l n ARG 11 N -5.15 0.11 0.00 6.67 0.63 -0.71 -1.15 116.66 117.05 1i5l n ARG 11 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1i5l n ARG 11 Cb 0.34 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 31.97 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 -0.78 0.65 -4.59 6.15 7.64 0.16 -5.04 113.62 117.81 1i5l n SER 12 Ca 0.01 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.66 1i5l n SER 12 Cb 0.01 0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.30 2.43 0.00 -3.43 4.77 -0.30 -1.63 117.00 118.54 1i5l n LEU 13 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1i5l n LEU 13 Cb 0.01 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 1i5l n LEU 13 CO 0.00 -1.78 0.00 0.29 -1.33 0.00 0.00 177.39 174.57 1i5l n LYS 14 N -0.02 -1.08 -4.37 3.23 5.02 -0.32 -4.96 118.16 115.65 1i5l n LYS 14 Ca 0.10 0.27 -0.27 0.00 -2.02 0.00 0.00 58.31 56.40 1i5l n LYS 14 Cb 0.41 -4.16 -0.11 0.00 -0.02 0.00 0.00 35.03 31.16 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 -2.04 3.79 0.47 4.39 1.04 -0.65 -4.87 113.70 115.84 1i5l s SER 15 Ca 0.00 -0.75 -0.24 0.00 0.48 0.00 0.00 55.95 55.44 1i5l s SER 15 Cb 0.00 -0.45 -0.07 0.00 0.10 0.00 0.00 66.02 65.60 1i5l s SER 15 CO 0.00 0.11 1.30 -2.16 0.98 0.00 0.00 173.24 173.47 1i5l s PRO 16 N -2.78 3.60 0.21 4.02 0.04 -1.26 -1.86 135.00 136.97 1i5l s PRO 16 Ca 0.23 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1i5l s PRO 16 Cb -0.08 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 1i5l s PRO 16 CO 0.12 -0.78 0.40 0.14 0.04 0.00 0.00 177.00 176.93 1i5l s VAL 17 N -1.35 0.03 -0.23 -0.36 -7.23 0.16 -2.68 120.40 108.73 1i5l s VAL 17 Ca 0.64 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1i5l s VAL 17 Cb -0.37 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1i5l s VAL 17 CO 0.45 -0.13 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.37 1i5l s ILE 18 N -3.98 2.46 -0.28 -0.62 1.01 0.33 -2.02 121.20 118.09 1i5l s ILE 18 Ca 0.19 -1.18 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1i5l s ILE 18 Cb 0.01 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1i5l s ILE 18 CO 0.04 0.22 0.11 -0.69 0.00 0.00 0.00 174.94 174.62 1i5l s VAL 19 N 1.25 4.45 -0.08 2.92 1.01 -0.29 -1.96 120.40 127.69 1i5l s VAL 19 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1i5l s VAL 19 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1i5l s VAL 19 CO -0.07 0.18 0.22 -0.60 0.00 0.00 0.00 175.10 174.83 1i5l s ARG 20 N 1.61 3.58 0.26 2.72 3.52 -0.25 -0.54 118.95 129.84 1i5l s ARG 20 Ca 0.05 0.02 0.11 0.00 -0.13 0.00 0.00 55.73 55.79 1i5l s ARG 20 Cb -0.16 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1i5l s ARG 20 CO 0.05 0.75 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.58 1i5l s LEU 21 N -1.07 2.56 0.24 -0.88 1.43 -0.45 -1.21 118.68 119.30 1i5l s LEU 21 Ca 0.18 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 1i5l s LEU 21 Cb -0.13 -1.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.92 1i5l s LEU 21 CO 0.07 0.03 1.64 -0.54 0.23 0.00 0.00 176.35 177.78 1i5l s LYS 22 N -3.39 4.14 0.00 1.70 1.02 -0.80 -2.99 119.74 119.43 1i5l s LYS 22 Ca 0.27 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.82 1i5l s LYS 22 Cb -0.05 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1i5l s LYS 22 CO 0.13 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1i5l n GLY 23 N 3.19 2.10 0.58 -3.33 0.00 -1.26 -4.71 105.19 101.76 1i5l n GLY 23 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.52 3.39 -0.02 0.00 -1.16 -5.17 105.19 101.71 1i5l n GLY 24 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1i5l n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5l n ARG 25 N -2.37 0.29 -4.00 1.61 1.74 -1.26 -4.55 116.66 108.11 1i5l n ARG 25 Ca 0.00 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 1i5l n ARG 25 Cb 0.00 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 29.77 1i5l n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i5l s GLU 26 N -2.11 0.36 0.16 5.56 2.02 -1.18 -1.34 118.70 122.16 1i5l s GLU 26 Ca 0.63 -0.65 0.10 0.00 0.02 0.00 0.00 54.97 55.08 1i5l s GLU 26 Cb -0.40 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 1i5l s GLU 26 CO 0.60 -0.03 -0.20 -0.06 0.02 0.00 0.00 175.26 175.59 1i5l s PHE 27 N -1.45 2.42 -0.09 1.61 0.40 0.30 -0.35 117.98 120.83 1i5l s PHE 27 Ca -0.15 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1i5l s PHE 27 Cb -0.10 -1.24 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1i5l s PHE 27 CO -0.01 0.44 -0.08 1.03 0.70 0.00 0.00 175.22 177.31 1i5l s ARG 28 N -2.45 1.39 -0.00 0.44 0.52 -0.64 -1.14 118.95 117.06 1i5l s ARG 28 Ca 0.19 -0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 1i5l s ARG 28 Cb -0.09 -1.37 0.02 0.00 0.52 0.00 0.00 34.95 34.03 1i5l s ARG 28 CO 0.10 -0.16 0.30 0.41 0.02 0.00 0.00 175.30 175.97 1i5l n GLY 29 N 4.50 0.56 3.62 -3.53 0.00 -0.86 -0.78 105.19 108.71 1i5l n GLY 29 Ca -0.17 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1i5l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5l s THR 30 N -2.14 5.12 -0.80 2.61 2.01 -1.01 0.38 115.64 121.81 1i5l s THR 30 Ca 0.07 0.74 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1i5l s THR 30 Cb -0.00 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 1i5l s THR 30 CO -0.00 0.13 2.23 -0.22 -0.69 0.00 0.00 174.62 176.07 1i5l s LEU 31 N 2.10 3.02 0.16 4.42 2.96 -0.77 -1.89 118.68 128.67 1i5l s LEU 31 Ca 0.19 -0.13 0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1i5l s LEU 31 Cb -0.16 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.92 1i5l s LEU 31 CO 0.09 -3.36 1.14 -0.78 -1.32 0.00 0.00 176.35 172.11 1i5l h ASP 32 N 12.74 0.00 -5.17 3.68 3.58 -1.69 -0.84 116.42 128.71 1i5l h ASP 32 Ca 0.01 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.58 1i5l h ASP 32 Cb 1.03 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.01 1i5l h ASP 32 CO 1.10 0.62 0.36 -0.83 -2.88 0.00 0.00 179.24 177.60 1i5l s GLY 33 N -4.66 -0.16 0.08 -0.78 0.00 -1.20 -4.85 107.32 95.75 1i5l s GLY 33 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 1i5l s GLY 33 CO 0.79 -0.04 1.14 -2.52 0.00 0.00 0.00 173.10 172.46 1i5l s TYR 34 N -3.59 -0.01 0.33 1.90 -0.85 -1.26 -1.83 117.35 112.05 1i5l s TYR 34 Ca 0.12 -0.24 -0.16 0.00 -0.52 0.00 0.00 57.07 56.26 1i5l s TYR 34 Cb -0.04 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.96 1i5l s TYR 34 CO 0.05 -0.60 0.72 0.16 -1.52 0.00 0.00 175.55 174.36 1i5l s ASP 35 N -3.29 -0.04 0.35 -0.18 1.47 -1.13 -4.93 116.67 108.91 1i5l s ASP 35 Ca 0.20 -0.96 0.15 0.00 1.18 0.00 0.00 52.55 53.12 1i5l s ASP 35 Cb 0.00 0.77 1.14 0.00 -0.34 0.00 0.00 42.92 44.49 1i5l s ASP 35 CO 0.01 -1.50 1.62 -0.29 0.68 0.00 0.00 175.17 175.69 1i5l h ILE 36 N 2.03 0.14 0.00 2.11 6.09 -2.03 0.65 117.51 126.49 1i5l h ILE 36 Ca -0.27 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1i5l h ILE 36 Cb 1.25 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1i5l h ILE 36 CO 0.34 0.03 0.00 0.45 -3.07 0.00 0.00 178.15 175.89 1i5l h HIS 37 N 0.14 0.00 -0.05 2.19 3.86 -2.01 -3.46 115.15 115.82 1i5l h HIS 37 Ca 0.76 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.97 1i5l h HIS 37 Cb 1.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.30 1i5l h HIS 37 CO -0.08 0.00 0.00 -0.12 0.86 0.00 0.00 177.93 178.59 1i5l n MET 38 N -2.82 0.00 -1.70 2.45 1.56 0.23 -4.51 117.12 112.33 1i5l n MET 38 Ca 0.03 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.14 1i5l n MET 38 Cb 0.38 -1.77 0.05 0.00 2.15 0.00 0.00 33.22 34.02 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 -2.52 5.21 0.11 6.12 0.01 -1.25 -3.72 114.94 118.90 1i5l s ASN 39 Ca 0.00 1.84 0.03 0.00 -0.71 0.00 0.00 52.86 54.02 1i5l s ASN 39 Cb 0.00 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1i5l s ASN 39 CO 0.00 -1.56 -0.08 -0.76 -1.51 0.00 0.00 177.10 173.19 1i5l s LEU 40 N -5.11 2.49 -0.03 0.60 1.43 -0.95 -2.86 118.68 114.26 1i5l s LEU 40 Ca 0.63 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1i5l s LEU 40 Cb -0.17 -0.18 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 1i5l s LEU 40 CO 0.46 -0.39 -0.11 -0.69 0.23 0.00 0.00 176.35 175.85 1i5l s VAL 41 N -3.28 0.93 0.03 -1.59 1.01 -0.76 -1.46 120.40 115.28 1i5l s VAL 41 Ca 0.11 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1i5l s VAL 41 Cb 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1i5l s VAL 41 CO -0.02 0.28 -0.07 -0.76 0.00 0.00 0.00 175.10 174.52 1i5l s LEU 42 N 0.07 2.21 0.23 3.92 1.43 -0.95 -1.77 118.68 123.83 1i5l s LEU 42 Ca -0.02 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1i5l s LEU 42 Cb -0.08 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1i5l s LEU 42 CO 0.01 -0.16 -0.03 -0.76 0.23 0.00 0.00 176.35 175.64 1i5l s LEU 43 N -1.34 3.16 -0.57 1.79 1.43 -0.79 -1.81 118.68 120.56 1i5l s LEU 43 Ca -0.08 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1i5l s LEU 43 Cb -0.09 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1i5l s LEU 43 CO 0.00 0.04 0.38 0.47 0.23 0.00 0.00 176.35 177.48 1i5l n ASP 44 N -0.52 -2.81 -4.63 2.29 9.92 -0.60 -2.41 116.55 117.79 1i5l n ASP 44 Ca -0.08 -0.66 -0.24 0.00 -0.53 0.00 0.00 54.79 53.28 1i5l n ASP 44 Cb 0.57 -0.97 -0.08 0.00 -0.64 0.00 0.00 41.12 40.00 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 -3.01 3.18 0.13 2.24 0.00 -1.01 -4.55 121.76 118.73 1i5l s ALA 45 Ca 0.08 -1.84 0.10 0.00 0.00 0.00 0.00 51.96 50.30 1i5l s ALA 45 Cb -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1i5l s ALA 45 CO 0.56 0.14 -0.24 -1.21 0.00 0.00 0.00 175.76 175.02 1i5l s GLU 46 N -3.70 1.30 -0.46 0.00 2.02 0.04 -2.36 118.70 115.55 1i5l s GLU 46 Ca 0.34 -1.29 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 1i5l s GLU 46 Cb -0.03 -1.67 0.10 0.00 0.10 0.00 0.00 34.13 32.63 1i5l s GLU 46 CO 0.19 0.39 0.33 -2.00 0.02 0.00 0.00 175.26 174.19 1i5l s GLU 47 N -2.08 2.61 -1.00 1.61 2.12 -0.13 -1.63 118.70 120.20 1i5l s GLU 47 Ca 0.12 -1.61 -0.21 0.00 0.36 0.00 0.00 54.97 53.63 1i5l s GLU 47 Cb -0.10 -3.92 0.08 0.00 0.26 0.00 0.00 34.13 30.45 1i5l s GLU 47 CO 0.06 -1.10 1.36 0.42 -0.54 0.00 0.00 175.26 175.45 1i5l s ILE 48 N 1.43 4.20 -0.20 -3.70 1.01 0.53 -0.93 121.20 123.54 1i5l s ILE 48 Ca 0.04 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1i5l s ILE 48 Cb -0.25 -4.97 -0.00 0.00 0.01 0.00 0.00 42.46 37.25 1i5l s ILE 48 CO 0.01 -1.80 0.96 -1.58 0.00 0.00 0.00 174.94 172.54 1i5l s GLN 49 N 4.18 4.28 -0.60 2.79 0.74 0.01 -3.11 119.66 127.96 1i5l s GLN 49 Ca 0.42 1.24 -0.18 0.00 0.05 0.00 0.00 55.36 56.89 1i5l s GLN 49 Cb -0.01 -3.61 0.02 0.00 1.10 0.00 0.00 33.01 30.51 1i5l s GLN 49 CO -0.09 -0.50 0.33 -1.71 -0.55 0.00 0.00 175.29 172.77 1i5l n ASN 50 N 5.83 -2.01 0.00 6.67 5.15 -1.26 -1.88 115.26 127.76 1i5l n ASN 50 Ca 0.09 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1i5l n ASN 50 Cb 0.47 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1i5l n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i5l n GLY 51 N -1.51 2.15 3.87 8.20 0.00 -1.26 -5.04 105.19 111.59 1i5l n GLY 51 Ca -0.05 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 3.87 -0.45 1.61 -1.05 -0.79 -4.98 118.70 116.91 1i5l s GLU 52 Ca 0.00 0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.93 1i5l s GLU 52 Cb 0.00 -2.62 0.01 0.00 -0.44 0.00 0.00 34.13 31.08 1i5l s GLU 52 CO 0.00 0.29 1.45 0.08 0.95 0.00 0.00 175.26 178.04 1i5l s VAL 53 N -1.83 3.83 -0.28 1.83 1.01 -1.26 -0.81 120.40 122.89 1i5l s VAL 53 Ca 0.48 0.81 0.11 0.00 0.00 0.00 0.00 61.98 63.38 1i5l s VAL 53 Cb -0.11 -4.21 0.62 0.00 0.00 0.00 0.00 36.38 32.68 1i5l s VAL 53 CO 0.20 -0.84 1.62 1.33 0.00 0.00 0.00 175.10 177.42 1i5l n VAL 54 N 7.06 2.68 0.00 2.92 0.24 -0.11 -4.93 118.33 126.20 1i5l n VAL 54 Ca 0.16 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 1i5l n VAL 54 Cb 0.48 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.56 0.00 -4.62 7.34 0.63 -1.25 -4.93 116.66 113.26 1i5l n ARG 55 Ca 0.35 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 57.04 1i5l n ARG 55 Cb 1.18 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.95 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 -1.76 1.28 -0.04 -0.14 1.02 -1.26 -0.96 119.74 117.87 1i5l s LYS 56 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 1i5l s LYS 56 Cb 0.00 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1i5l s LYS 56 CO 0.00 0.35 0.20 0.14 -0.92 0.00 0.00 175.35 175.11 1i5l s VAL 57 N -0.72 0.03 0.49 3.17 -7.23 -0.99 -5.04 120.40 110.12 1i5l s VAL 57 Ca 0.06 -0.28 0.14 0.00 -1.81 0.00 0.00 61.98 60.09 1i5l s VAL 57 Cb -0.08 -0.38 0.26 0.00 0.56 0.00 0.00 36.38 36.75 1i5l s VAL 57 CO 0.01 -0.15 2.12 1.23 -0.31 0.00 0.00 175.10 178.00 1i5l h GLY 58 N 5.09 0.12 -4.22 2.32 0.00 -1.94 -2.69 103.07 101.75 1i5l h GLY 58 Ca -0.28 -0.05 0.18 0.00 0.00 0.00 0.00 47.33 47.19 1i5l h GLY 58 CO 0.39 0.05 0.73 -1.35 0.00 0.00 0.00 176.54 176.35 1i5l s SER 59 N -6.99 -0.21 0.04 0.19 1.04 -1.26 -1.56 113.70 104.95 1i5l s SER 59 Ca -0.06 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 1i5l s SER 59 Cb 0.17 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1i5l s SER 59 CO 0.68 -0.26 0.03 0.68 0.98 0.00 0.00 173.24 175.36 1i5l s VAL 60 N -1.74 0.15 -0.12 5.02 -7.23 -0.75 -4.97 120.40 110.76 1i5l s VAL 60 Ca 0.05 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1i5l s VAL 60 Cb -0.01 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1i5l s VAL 60 CO -0.04 -0.67 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.16 1i5l s VAL 61 N -2.64 2.11 -0.21 1.32 1.01 -1.26 -2.23 120.40 118.49 1i5l s VAL 61 Ca -0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1i5l s VAL 61 Cb -0.01 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1i5l s VAL 61 CO -0.05 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 174.85 1i5l s ILE 62 N 0.60 2.49 0.03 2.22 1.01 -0.54 -4.94 121.20 122.07 1i5l s ILE 62 Ca -0.12 -0.98 -0.33 0.00 0.00 0.00 0.00 60.65 59.21 1i5l s ILE 62 Cb -0.17 -2.18 -0.12 0.00 0.01 0.00 0.00 42.46 40.01 1i5l s ILE 62 CO 0.03 0.36 1.78 0.54 0.00 0.00 0.00 174.94 177.65 1i5l n ARG 63 N 4.64 2.32 0.22 2.79 5.12 -1.26 -2.24 116.66 128.24 1i5l n ARG 63 Ca -0.18 0.84 0.17 0.00 -1.93 0.00 0.00 57.85 56.75 1i5l n ARG 63 Cb 0.48 -2.68 0.86 0.00 -1.16 0.00 0.00 32.46 29.96 1i5l n ARG 63 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1i5l h GLY 64 N 8.12 0.00 2.00 -0.13 0.00 -1.79 0.04 103.07 111.31 1i5l h GLY 64 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1i5l h GLY 64 CO 0.93 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.67 1i5l h ASP 65 N 0.00 0.00 0.79 0.19 -0.00 -1.87 -2.11 116.42 113.42 1i5l h ASP 65 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 57.05 1i5l h ASP 65 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 1i5l h ASP 65 CO -0.00 0.00 -1.25 0.41 -0.00 0.00 0.00 179.24 178.40 1i5l n THR 66 N -2.86 0.74 -2.35 2.25 -1.04 -0.00 -4.97 114.28 106.05 1i5l n THR 66 Ca -0.01 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.05 60.99 1i5l n THR 66 Cb 0.14 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.19 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 -3.23 3.44 -0.23 12.58 1.01 -0.80 -1.89 120.40 131.27 1i5l s VAL 67 Ca -0.02 1.25 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1i5l s VAL 67 Cb 0.10 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 1i5l s VAL 67 CO 0.81 0.22 -0.28 0.52 0.00 0.00 0.00 175.10 176.37 1i5l n VAL 68 N 2.19 1.26 -3.51 2.92 0.31 -0.35 -4.86 118.33 116.30 1i5l n VAL 68 Ca 0.03 -0.34 -0.16 0.00 -0.01 0.00 0.00 64.34 63.86 1i5l n VAL 68 Cb 0.44 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.42 -0.61 -0.07 3.52 -0.12 -1.20 -5.03 117.98 112.04 1i5l s PHE 69 Ca -0.32 0.91 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 1i5l s PHE 69 Cb 0.12 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1i5l s PHE 69 CO 0.42 -0.66 -0.19 0.08 -0.05 0.00 0.00 175.22 174.82 1i5l s VAL 70 N -1.77 1.64 -0.01 -2.49 1.01 -1.26 -1.09 120.40 116.43 1i5l s VAL 70 Ca -0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1i5l s VAL 70 Cb -0.00 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1i5l s VAL 70 CO 0.05 0.47 0.21 -0.55 0.00 0.00 0.00 175.10 175.27 1i5l s SER 71 N 0.31 -0.08 -0.07 3.32 0.15 -0.83 -5.01 113.70 111.51 1i5l s SER 71 Ca -0.13 -0.04 -0.32 0.00 0.70 0.00 0.00 55.95 56.16 1i5l s SER 71 Cb -0.15 0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 1i5l s SER 71 CO 0.05 -0.37 1.97 -2.65 1.20 0.00 0.00 173.24 173.45 1i5l n PRO 72 N 1.53 2.38 0.00 5.44 -0.02 -1.26 -0.51 135.00 142.56 1i5l n PRO 72 Ca -0.21 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1i5l n PRO 72 Cb 0.56 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1i5l n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i5l n ALA 73 N 7.73 0.00 0.00 3.55 0.00 -1.09 -4.81 120.51 125.89 1i5l n ALA 73 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1i5l n ALA 73 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1i5l n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20