#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s VAL 2 N 0.00 3.32 0.41 1.12 0.11 -1.26 -2.81 120.40 121.29 1ibl s VAL 2 Ca 0.00 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.27 1ibl s VAL 2 Cb 0.00 -3.74 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 1ibl s VAL 2 CO 0.00 0.20 0.01 -0.54 -3.33 0.00 0.00 175.10 171.45 1ibl s LYS 3 N -0.55 1.96 -0.31 1.54 1.02 0.39 -1.38 119.74 122.40 1ibl s LYS 3 Ca 0.53 -2.12 0.03 0.00 0.02 0.00 0.00 55.97 54.42 1ibl s LYS 3 Cb -0.35 -1.58 0.09 0.00 -0.52 0.00 0.00 37.83 35.47 1ibl s LYS 3 CO 0.40 -0.08 0.03 0.42 -0.92 0.00 0.00 175.35 175.20 1ibl s ILE 4 N -2.76 1.90 0.36 2.17 1.01 -0.44 -0.86 121.20 122.58 1ibl s ILE 4 Ca 0.33 -1.95 0.07 0.00 0.00 0.00 0.00 60.65 59.10 1ibl s ILE 4 Cb 0.09 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1ibl s ILE 4 CO 0.17 -0.50 0.25 0.00 0.00 0.00 0.00 174.94 174.86 1ibl s ARG 5 N 1.12 1.84 0.10 2.79 1.70 0.08 -1.81 118.95 124.78 1ibl s ARG 5 Ca 0.07 -2.09 -0.17 0.00 -0.47 0.00 0.00 55.73 53.06 1ibl s ARG 5 Cb -0.19 0.08 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 1ibl s ARG 5 CO -0.11 -0.63 0.56 -0.51 -1.08 0.00 0.00 175.30 173.53 1ibl s LEU 6 N -3.45 4.44 -0.06 -1.89 1.02 -1.26 -0.05 118.68 117.43 1ibl s LEU 6 Ca 0.36 1.18 0.04 0.00 0.02 0.00 0.00 54.13 55.73 1ibl s LEU 6 Cb 0.02 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1ibl s LEU 6 CO 0.25 0.20 -0.19 0.00 0.02 0.00 0.00 176.35 176.63 1ibl s ALA 7 N -1.27 1.71 0.07 4.21 0.00 -0.99 -4.89 121.76 120.60 1ibl s ALA 7 Ca 0.33 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1ibl s ALA 7 Cb -0.17 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1ibl s ALA 7 CO 0.19 0.26 1.08 1.03 0.00 0.00 0.00 175.76 178.32 1ibl s ARG 8 N 0.24 4.53 0.00 0.00 1.81 -1.26 -0.90 118.95 123.37 1ibl s ARG 8 Ca -0.10 1.61 0.00 0.00 -1.72 0.00 0.00 55.73 55.52 1ibl s ARG 8 Cb -0.14 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.98 1ibl s ARG 8 CO 0.04 -0.08 0.00 1.19 -0.68 0.00 0.00 175.30 175.77 1ibl n PHE 9 N 3.53 0.00 0.00 -0.53 3.72 0.14 -4.91 117.46 119.41 1ibl n PHE 9 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1ibl n PHE 9 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1ibl n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ibl n GLY 10 N 0.09 -1.61 3.65 1.37 0.00 -1.07 -4.78 105.19 102.83 1ibl n GLY 10 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibl n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibl s SER 11 N -2.31 -0.10 -0.28 1.61 1.04 -0.82 -4.89 113.70 107.96 1ibl s SER 11 Ca 0.00 -0.18 -0.39 0.00 0.48 0.00 0.00 55.95 55.86 1ibl s SER 11 Cb 0.00 0.24 -0.15 0.00 0.10 0.00 0.00 66.02 66.21 1ibl s SER 11 CO 0.00 -0.44 1.85 1.17 0.98 0.00 0.00 173.24 176.80 1ibl n LYS 12 N -0.45 1.23 -1.09 4.02 4.81 -1.26 0.11 118.16 125.53 1ibl n LYS 12 Ca -0.07 0.44 -0.03 0.00 -0.87 0.00 0.00 58.31 57.77 1ibl n LYS 12 Cb 0.62 -2.21 -0.01 0.00 0.02 0.00 0.00 35.03 33.45 1ibl n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ibl n HIS 13 N 6.35 0.00 -2.74 5.64 8.25 -1.26 -4.87 115.22 126.59 1ibl n HIS 13 Ca 0.29 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1ibl n HIS 13 Cb 0.16 -1.20 0.02 0.00 1.12 0.00 0.00 29.99 30.08 1ibl n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ibl n ASN 14 N -0.13 1.49 -4.68 0.41 5.15 0.31 -5.11 115.26 112.70 1ibl n ASN 14 Ca -0.03 -2.81 -0.45 0.00 -0.60 0.00 0.00 54.58 50.69 1ibl n ASN 14 Cb 0.25 -0.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.92 1ibl n ASN 14 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ibl n PRO 15 N -0.02 2.30 -3.77 1.20 -0.04 -1.22 -1.95 135.00 131.50 1ibl n PRO 15 Ca 0.13 0.83 -0.19 0.00 -0.04 0.00 0.00 63.50 64.23 1ibl n PRO 15 Cb 0.78 -2.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.45 1ibl n PRO 15 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ibl s HIS 16 N 1.20 0.24 0.42 0.54 3.76 -1.26 -4.43 115.29 115.76 1ibl s HIS 16 Ca 0.79 0.09 0.08 0.00 -0.15 0.00 0.00 55.06 55.87 1ibl s HIS 16 Cb -0.64 -0.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 1ibl s HIS 16 CO 0.37 -0.19 0.43 0.71 -0.85 0.00 0.00 174.74 175.22 1ibl s TYR 17 N 1.72 2.70 -0.20 1.40 1.51 -0.36 0.27 117.35 124.38 1ibl s TYR 17 Ca -0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1ibl s TYR 17 Cb -0.13 -2.22 0.06 0.00 -0.11 0.00 0.00 41.96 39.56 1ibl s TYR 17 CO -0.03 -0.22 0.00 1.03 -1.11 0.00 0.00 175.55 175.22 1ibl s ARG 18 N -4.20 1.00 0.11 -0.62 0.52 -0.08 -2.32 118.95 113.37 1ibl s ARG 18 Ca 0.50 -0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 1ibl s ARG 18 Cb -0.05 -2.24 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 1ibl s ARG 18 CO 0.29 -0.61 1.78 0.42 0.02 0.00 0.00 175.30 177.20 1ibl s ILE 19 N 1.70 2.68 -0.04 1.52 1.09 -0.75 -2.34 121.20 125.06 1ibl s ILE 19 Ca -0.02 0.18 -0.06 0.00 -1.10 0.00 0.00 60.65 59.64 1ibl s ILE 19 Cb -0.17 -3.11 0.01 0.00 -1.06 0.00 0.00 42.46 38.12 1ibl s ILE 19 CO -0.07 -0.00 0.14 -0.69 -0.10 0.00 0.00 174.94 174.22 1ibl s VAL 20 N 2.71 0.03 0.06 2.92 1.01 0.93 -1.49 120.40 126.58 1ibl s VAL 20 Ca 0.79 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1ibl s VAL 20 Cb -0.44 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 1ibl s VAL 20 CO 0.35 -0.14 0.55 -0.69 0.00 0.00 0.00 175.10 175.18 1ibl s VAL 21 N -0.44 4.77 0.08 2.92 1.01 -0.30 -0.74 120.40 127.70 1ibl s VAL 21 Ca -0.05 1.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.85 1ibl s VAL 21 Cb -0.03 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.55 1ibl s VAL 21 CO 0.01 0.56 1.15 0.28 0.00 0.00 0.00 175.10 177.09 1ibl s THR 22 N -1.09 0.00 -0.33 3.92 -1.32 -0.04 -0.45 115.64 116.32 1ibl s THR 22 Ca 0.28 -0.40 -0.19 0.00 -1.21 0.00 0.00 61.69 60.18 1ibl s THR 22 Cb -0.19 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.17 1ibl s THR 22 CO 0.18 0.00 0.55 -0.62 -2.21 0.00 0.00 174.62 172.52 1ibl s ASP 23 N -3.38 6.37 0.33 8.08 -1.08 -1.26 0.15 116.67 125.88 1ibl s ASP 23 Ca 0.21 0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.63 1ibl s ASP 23 Cb -0.00 -2.29 1.14 0.00 -1.46 0.00 0.00 42.92 40.31 1ibl s ASP 23 CO 0.01 -0.47 1.21 0.00 0.52 0.00 0.00 175.17 176.45 1ibl n ALA 24 N 5.79 1.03 0.45 3.66 0.00 -1.13 0.87 120.51 131.18 1ibl n ALA 24 Ca -0.04 0.69 0.09 0.00 0.00 0.00 0.00 53.44 54.19 1ibl n ALA 24 Cb 0.49 -0.82 0.39 0.00 0.00 0.00 0.00 19.45 19.52 1ibl n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibl n ARG 25 N -4.30 0.09 -2.01 0.00 1.74 -1.26 -4.82 116.66 106.09 1ibl n ARG 25 Ca 0.31 0.33 -0.30 0.00 -0.77 0.00 0.00 57.85 57.42 1ibl n ARG 25 Cb 1.19 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.99 1ibl n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ibl s ARG 26 N -3.15 3.07 0.99 5.56 3.52 0.25 -5.02 118.95 124.17 1ibl s ARG 26 Ca 0.06 0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 55.96 1ibl s ARG 26 Cb 0.09 -2.10 0.09 0.00 -1.56 0.00 0.00 34.95 31.48 1ibl s ARG 26 CO 0.33 -0.83 0.55 1.63 -0.81 0.00 0.00 175.30 176.17 1ibl n LYS 27 N -2.84 -0.69 0.02 5.12 5.02 -1.26 -4.89 118.16 118.64 1ibl n LYS 27 Ca 0.06 -0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 1ibl n LYS 27 Cb 0.56 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1ibl n LYS 27 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1ibl h ARG 28 N -1.80 0.58 -0.66 1.97 0.11 -1.95 -3.03 114.38 109.60 1ibl h ARG 28 Ca -0.46 -0.47 0.00 0.00 0.10 0.00 0.00 59.98 59.15 1ibl h ARG 28 Cb 1.29 0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.47 1ibl h ARG 28 CO 0.37 1.09 0.00 -0.25 0.10 0.00 0.00 179.97 181.29 1ibl n ASP 29 N -3.88 4.90 -2.20 0.08 10.43 -1.26 -4.66 116.55 119.95 1ibl n ASP 29 Ca -0.06 -2.47 0.00 0.00 2.57 0.00 0.00 54.79 54.83 1ibl n ASP 29 Cb 0.72 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 43.09 1ibl n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibl n GLY 30 N 1.15 -0.98 3.58 0.44 0.00 -1.15 -4.94 105.19 103.30 1ibl n GLY 30 Ca 0.26 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 1ibl n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibl n LYS 31 N -0.78 1.88 -2.80 1.61 4.81 -1.26 -4.94 118.16 116.68 1ibl n LYS 31 Ca 0.00 0.52 -0.21 0.00 -0.87 0.00 0.00 58.31 57.75 1ibl n LYS 31 Cb 0.00 -3.13 0.03 0.00 0.02 0.00 0.00 35.03 31.94 1ibl n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1ibl s TYR 32 N 8.07 2.94 -0.03 5.64 1.13 -1.26 -4.78 117.35 129.05 1ibl s TYR 32 Ca 1.02 -0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 56.63 1ibl s TYR 32 Cb -0.41 -2.58 -0.27 0.00 -1.10 0.00 0.00 41.96 37.60 1ibl s TYR 32 CO 0.37 -0.67 0.71 0.82 -2.51 0.00 0.00 175.55 174.27 1ibl h ILE 33 N 0.25 0.97 -1.78 -3.49 2.04 -1.14 -3.48 117.51 110.88 1ibl h ILE 33 Ca -0.43 -2.66 0.01 0.00 1.00 0.00 0.00 64.86 62.79 1ibl h ILE 33 Cb 1.28 2.65 -0.22 0.00 -0.74 0.00 0.00 36.82 39.80 1ibl h ILE 33 CO 0.52 0.79 0.35 -0.70 0.00 0.00 0.00 178.15 179.11 1ibl s GLU 34 N -2.60 0.78 -0.11 2.37 2.12 -1.19 -5.00 118.70 115.07 1ibl s GLU 34 Ca -0.12 0.35 -0.10 0.00 0.36 0.00 0.00 54.97 55.46 1ibl s GLU 34 Cb 0.07 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 1ibl s GLU 34 CO 0.83 -0.21 0.21 0.21 -0.54 0.00 0.00 175.26 175.76 1ibl s LYS 35 N -0.78 3.77 -0.05 4.30 2.20 -1.26 -1.15 119.74 126.77 1ibl s LYS 35 Ca -0.04 -0.00 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1ibl s LYS 35 Cb -0.01 -3.27 0.10 0.00 -1.51 0.00 0.00 37.83 33.14 1ibl s LYS 35 CO 0.04 0.61 1.01 0.44 -0.36 0.00 0.00 175.35 177.08 1ibl n ILE 36 N 2.42 0.75 -1.36 5.43 -5.35 -0.56 -4.93 119.36 115.76 1ibl n ILE 36 Ca -0.17 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 1ibl n ILE 36 Cb 0.54 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1ibl n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ibl n GLY 37 N -0.55 -2.35 3.44 3.28 0.00 -1.13 -1.24 105.19 106.64 1ibl n GLY 37 Ca 0.06 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1ibl n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibl s TYR 38 N -2.34 -0.04 -0.17 1.61 -0.85 -0.54 -1.81 117.35 113.20 1ibl s TYR 38 Ca 0.00 -0.30 -0.15 0.00 -0.52 0.00 0.00 57.07 56.10 1ibl s TYR 38 Cb 0.00 0.28 0.05 0.00 0.38 0.00 0.00 41.96 42.67 1ibl s TYR 38 CO 0.00 -0.83 0.46 -0.47 -1.52 0.00 0.00 175.55 173.19 1ibl s TYR 39 N -3.87 -0.53 -0.33 -3.49 5.04 -0.98 -2.29 117.35 110.89 1ibl s TYR 39 Ca 0.09 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 56.00 1ibl s TYR 39 Cb 0.00 0.20 0.09 0.00 0.35 0.00 0.00 41.96 42.60 1ibl s TYR 39 CO -0.04 -0.26 0.04 0.34 -1.34 0.00 0.00 175.55 174.28 1ibl s ASP 40 N 0.43 4.80 0.32 4.32 3.68 0.88 -1.23 116.67 129.87 1ibl s ASP 40 Ca -0.02 -1.90 0.09 0.00 2.13 0.00 0.00 52.55 52.85 1ibl s ASP 40 Cb -0.04 -1.66 0.84 0.00 -1.45 0.00 0.00 42.92 40.62 1ibl s ASP 40 CO -0.02 -0.36 1.76 -0.65 0.13 0.00 0.00 175.17 176.04 1ibl h PRO 41 N 7.75 0.63 -0.31 4.34 0.11 -1.85 -0.17 132.00 142.50 1ibl h PRO 41 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ibl h PRO 41 Cb 1.03 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1ibl h PRO 41 CO 0.54 0.42 0.00 0.54 -0.21 0.00 0.00 178.00 179.29 1ibl n ARG 42 N -4.79 1.80 -3.88 1.05 1.74 -1.26 -4.94 116.66 106.37 1ibl n ARG 42 Ca 0.25 -1.23 -0.31 0.00 -0.77 0.00 0.00 57.85 55.78 1ibl n ARG 42 Cb 0.67 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.82 1ibl n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibl n LYS 43 N 0.49 -0.57 0.23 5.56 4.01 -0.08 -4.77 118.16 123.03 1ibl n LYS 43 Ca 0.13 0.01 0.12 0.00 -0.51 0.00 0.00 58.31 58.06 1ibl n LYS 43 Cb 0.31 -1.48 0.33 0.00 -0.51 0.00 0.00 35.03 33.68 1ibl n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1ibl h THR 44 N -0.80 0.18 -3.72 -0.18 1.35 -1.92 -3.45 112.91 104.37 1ibl h THR 44 Ca -0.50 -1.04 -0.29 0.00 -0.55 0.00 0.00 66.41 64.03 1ibl h THR 44 Cb 1.00 1.89 -0.17 0.00 -1.73 0.00 0.00 68.15 69.15 1ibl h THR 44 CO 0.35 0.09 -0.72 0.42 -0.25 0.00 0.00 175.52 175.41 1ibl s THR 45 N -3.36 0.89 0.59 6.82 -4.23 -1.26 -5.03 115.64 110.06 1ibl s THR 45 Ca 0.04 -1.73 0.33 0.00 -1.18 0.00 0.00 61.69 59.15 1ibl s THR 45 Cb 0.07 -1.45 0.33 0.00 1.34 0.00 0.00 72.50 72.78 1ibl s THR 45 CO 0.64 -0.65 2.00 1.55 -0.54 0.00 0.00 174.62 177.62 1ibl h PRO 46 N 3.37 0.00 -2.13 3.99 0.13 -2.01 -2.76 132.00 132.60 1ibl h PRO 46 Ca -0.37 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.08 1ibl h PRO 46 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1ibl h PRO 46 CO 0.56 0.00 0.14 -3.47 -0.23 0.00 0.00 178.00 175.00 1ibl n ASP 47 N -2.86 5.90 -0.20 1.44 4.64 -1.26 -4.79 116.55 119.41 1ibl n ASP 47 Ca -0.02 -3.71 0.09 0.00 -1.38 0.00 0.00 54.79 49.76 1ibl n ASP 47 Cb 0.27 -0.82 0.42 0.00 -1.04 0.00 0.00 41.12 39.96 1ibl n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 1ibl n TRP 48 N -0.26 0.09 -3.50 -0.67 4.27 -1.04 -4.71 117.44 111.61 1ibl n TRP 48 Ca 0.41 -0.04 -0.05 0.00 -3.89 0.00 0.00 57.50 53.92 1ibl n TRP 48 Cb 0.36 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.25 1ibl n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1ibl s LEU 49 N -1.49 -0.87 -0.00 5.67 2.96 -1.26 -0.09 118.68 123.60 1ibl s LEU 49 Ca 0.26 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 1ibl s LEU 49 Cb 0.13 1.63 -0.01 0.00 0.50 0.00 0.00 46.19 48.44 1ibl s LEU 49 CO 0.20 -0.25 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.14 1ibl s LYS 50 N 2.70 0.73 -0.00 1.98 2.20 -0.97 -5.02 119.74 121.36 1ibl s LYS 50 Ca 0.04 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 1ibl s LYS 50 Cb -0.13 -0.70 -0.00 0.00 -1.51 0.00 0.00 37.83 35.48 1ibl s LYS 50 CO -0.16 0.19 0.07 0.08 -0.36 0.00 0.00 175.35 175.17 1ibl s VAL 51 N -0.28 0.07 -1.04 4.02 1.01 -1.26 -1.46 120.40 121.46 1ibl s VAL 51 Ca 0.03 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1ibl s VAL 51 Cb -0.04 -0.30 0.24 0.00 0.00 0.00 0.00 36.38 36.28 1ibl s VAL 51 CO -0.00 -0.32 1.07 -0.62 0.00 0.00 0.00 175.10 175.23 1ibl s ASP 52 N -1.03 7.08 0.32 3.32 -1.08 -0.37 -4.90 116.67 120.02 1ibl s ASP 52 Ca -0.11 -3.15 0.10 0.00 -0.52 0.00 0.00 52.55 48.88 1ibl s ASP 52 Cb -0.07 -2.25 0.96 0.00 -1.46 0.00 0.00 42.92 40.10 1ibl s ASP 52 CO 0.00 -0.49 1.66 -0.37 0.52 0.00 0.00 175.17 176.49 1ibl h VAL 53 N 4.28 0.31 -0.11 1.11 -1.51 -1.90 0.31 116.25 118.74 1ibl h VAL 53 Ca 0.18 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1ibl h VAL 53 Cb 0.93 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 1ibl h VAL 53 CO 0.98 0.05 0.06 -0.08 -1.23 0.00 0.00 177.57 177.36 1ibl h GLU 54 N 0.29 0.15 -0.36 5.19 4.57 -1.99 0.19 114.58 122.62 1ibl h GLU 54 Ca 0.67 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.79 1ibl h GLU 54 Cb 1.48 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 1ibl h GLU 54 CO -0.62 0.16 0.06 0.00 -1.18 0.00 0.00 179.01 177.43 1ibl h ARG 55 N 0.10 0.61 0.01 1.92 2.47 -1.45 -1.73 114.38 116.29 1ibl h ARG 55 Ca 0.04 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1ibl h ARG 55 Cb 0.05 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 1ibl h ARG 55 CO -0.01 0.67 -0.15 0.00 0.56 0.00 0.00 179.97 181.05 1ibl h ALA 56 N 0.91 -0.18 -0.92 0.04 0.00 -0.83 0.85 119.26 119.12 1ibl h ALA 56 Ca 0.11 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.24 1ibl h ALA 56 Cb 0.36 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 1ibl h ALA 56 CO 0.01 -0.64 0.46 0.00 0.00 0.00 0.00 179.25 179.07 1ibl h ARG 57 N -0.25 0.48 0.37 0.00 3.08 -0.39 0.04 114.38 117.71 1ibl h ARG 57 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ibl h ARG 57 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ibl h ARG 57 CO -0.14 0.32 -0.21 -0.92 -1.07 0.00 0.00 179.97 177.95 1ibl h TYR 58 N 0.49 -0.55 -0.87 3.04 5.03 0.04 -0.18 116.97 123.96 1ibl h TYR 58 Ca 0.57 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 62.08 1ibl h TYR 58 Cb 1.04 0.19 -0.12 0.00 1.55 0.00 0.00 36.73 39.40 1ibl h TYR 58 CO -0.09 -0.32 0.36 -1.49 -1.32 0.00 0.00 178.16 175.30 1ibl h TRP 59 N -0.54 0.59 0.34 -3.82 4.06 -0.35 0.17 115.95 116.41 1ibl h TRP 59 Ca -0.05 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1ibl h TRP 59 Cb 0.42 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1ibl h TRP 59 CO 0.06 -0.04 -0.16 -0.07 -3.56 0.00 0.00 178.44 174.67 1ibl h LEU 60 N 0.40 -0.39 -1.80 -4.49 3.38 -0.96 0.34 115.31 111.79 1ibl h LEU 60 Ca 0.53 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.61 1ibl h LEU 60 Cb 0.97 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1ibl h LEU 60 CO -0.51 -0.22 0.59 0.77 0.09 0.00 0.00 178.44 179.16 1ibl h SER 61 N -0.53 0.00 -0.07 -0.43 4.64 0.11 0.21 113.55 117.48 1ibl h SER 61 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ibl h SER 61 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ibl h SER 61 CO 0.08 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 176.56 1ibl n VAL 62 N -3.58 0.06 0.00 0.95 0.31 0.15 -4.97 118.33 111.25 1ibl n VAL 62 Ca 0.10 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1ibl n VAL 62 Cb 0.79 1.41 0.00 0.00 -0.91 0.00 0.00 33.84 35.13 1ibl n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibl n GLY 63 N 1.30 0.94 3.47 2.92 0.00 0.74 -5.05 105.19 109.51 1ibl n GLY 63 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.63 1ibl n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ALA 64 N 0.00 -2.84 -3.27 4.61 0.00 -0.02 -4.84 120.51 114.15 1ibl n ALA 64 Ca 0.00 0.51 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 1ibl n ALA 64 Cb 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 19.45 17.57 1ibl n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ibl s GLN 65 N -0.51 3.40 0.24 0.00 2.00 -0.48 -4.49 119.66 119.83 1ibl s GLN 65 Ca 0.76 -0.65 -0.11 0.00 -2.00 0.00 0.00 55.36 53.37 1ibl s GLN 65 Cb -1.05 -2.81 -0.08 0.00 0.80 0.00 0.00 33.01 29.88 1ibl s GLN 65 CO 0.56 0.05 0.58 -1.25 -0.50 0.00 0.00 175.29 174.73 1ibl s PRO 66 N 0.81 3.85 0.97 1.67 0.04 -1.26 -1.32 135.00 139.76 1ibl s PRO 66 Ca -0.03 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1ibl s PRO 66 Cb -0.15 -2.62 0.18 0.00 0.04 0.00 0.00 34.50 31.94 1ibl s PRO 66 CO 0.01 0.30 1.10 0.99 0.04 0.00 0.00 177.00 179.43 1ibl s THR 67 N -1.83 2.28 0.04 1.26 2.01 -0.75 -4.66 115.64 113.99 1ibl s THR 67 Ca 0.48 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1ibl s THR 67 Cb -0.11 -2.25 -0.17 0.00 0.01 0.00 0.00 72.50 69.98 1ibl s THR 67 CO 0.20 -0.12 1.48 0.44 -0.69 0.00 0.00 174.62 175.94 1ibl h ASP 68 N -1.97 -0.26 -0.25 3.53 3.32 -1.97 0.52 116.42 119.34 1ibl h ASP 68 Ca -0.50 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.48 1ibl h ASP 68 Cb 1.29 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 1ibl h ASP 68 CO 0.47 -0.02 -0.11 0.74 -1.72 0.00 0.00 179.24 178.60 1ibl h THR 69 N -0.49 0.65 -0.60 0.35 2.02 -1.97 0.14 112.91 113.00 1ibl h THR 69 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1ibl h THR 69 Cb 0.37 0.65 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 1ibl h THR 69 CO 0.05 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.91 1ibl h ALA 70 N 1.15 0.55 -0.37 6.16 0.00 -1.78 0.23 119.26 125.20 1ibl h ALA 70 Ca 0.13 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1ibl h ALA 70 Cb 0.27 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ibl h ALA 70 CO -0.30 -0.40 0.17 -0.09 0.00 0.00 0.00 179.25 178.62 1ibl h ARG 71 N 0.09 0.34 -0.01 0.00 2.43 0.21 0.41 114.38 117.85 1ibl h ARG 71 Ca 0.31 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1ibl h ARG 71 Cb 0.50 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1ibl h ARG 71 CO -0.54 0.22 -0.40 -0.09 -1.51 0.00 0.00 179.97 177.65 1ibl h ARG 72 N 0.35 -0.47 0.06 0.20 2.43 0.19 0.33 114.38 117.46 1ibl h ARG 72 Ca 0.16 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1ibl h ARG 72 Cb 0.09 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1ibl h ARG 72 CO -0.13 -0.32 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.48 1ibl h LEU 73 N -0.49 -1.41 -1.37 3.80 3.38 -0.76 0.46 115.31 118.91 1ibl h LEU 73 Ca 0.01 0.16 0.31 0.00 0.09 0.00 0.00 57.88 58.45 1ibl h LEU 73 Cb 0.53 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1ibl h LEU 73 CO -0.27 -0.51 0.72 -0.07 0.09 0.00 0.00 178.44 178.40 1ibl h LEU 74 N -0.66 0.38 -0.02 1.67 3.38 -0.45 -0.42 115.31 119.19 1ibl h LEU 74 Ca 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ibl h LEU 74 Cb 0.70 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ibl h LEU 74 CO -0.30 0.00 -0.03 -0.09 0.09 0.00 0.00 178.44 178.12 1ibl h ARG 75 N 0.30 0.05 0.00 1.13 2.43 0.17 -1.64 114.38 116.81 1ibl h ARG 75 Ca 0.66 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1ibl h ARG 75 Cb 1.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1ibl h ARG 75 CO -0.34 0.58 0.18 0.37 -1.51 0.00 0.00 179.97 179.25 1ibl h GLN 76 N -0.47 0.00 -0.66 0.20 4.15 0.60 1.36 115.11 120.28 1ibl h GLN 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ibl h GLN 76 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1ibl h GLN 76 CO 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 1ibl n ALA 77 N -1.76 3.00 -3.56 3.38 0.00 -0.76 -4.94 120.51 115.87 1ibl n ALA 77 Ca -0.02 -1.48 -0.22 0.00 0.00 0.00 0.00 53.44 51.72 1ibl n ALA 77 Cb 0.22 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.73 1ibl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibl n GLY 78 N 1.18 -0.49 0.07 0.00 0.00 0.47 -4.88 105.19 101.53 1ibl n GLY 78 Ca 0.25 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.42 1ibl n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ibl h VAL 79 N -2.46 1.65 0.00 1.61 2.07 -1.39 -3.35 116.25 114.38 1ibl h VAL 79 Ca -0.58 -3.30 0.00 0.00 0.82 0.00 0.00 66.70 63.64 1ibl h VAL 79 Cb 1.36 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1ibl h VAL 79 CO 0.55 0.93 -1.65 0.49 0.02 0.00 0.00 177.57 177.91 1ibl n PHE 80 N -3.36 0.00 -1.63 1.57 3.01 -1.26 -4.89 117.46 110.90 1ibl n PHE 80 Ca 0.00 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.92 1ibl n PHE 80 Cb 0.91 -0.33 -0.07 0.00 -0.01 0.00 0.00 39.48 39.99 1ibl n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ibl n ARG 81 N -2.00 1.07 -0.06 -1.08 0.63 -1.26 -4.85 116.66 109.12 1ibl n ARG 81 Ca -0.03 0.39 -0.06 0.00 -0.92 0.00 0.00 57.85 57.23 1ibl n ARG 81 Cb 0.38 -2.04 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 1ibl n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibl n GLN 82 N 3.39 1.83 0.00 -0.14 10.64 -1.26 -5.08 117.38 126.76 1ibl n GLN 82 Ca 0.21 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1ibl n GLN 82 Cb 0.16 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 1ibl n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62