#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5s s GLY 5 N 0.00 1.07 -0.00 0.62 0.00 -1.26 -2.47 107.32 105.28 3i5s s GLY 5 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 44.72 43.40 3i5s s GLY 5 CO 0.00 -1.28 0.29 -0.19 0.00 0.00 0.00 173.10 171.92 3i5s s TYR 6 N -1.82 3.61 -0.05 1.90 2.02 0.71 -1.78 117.35 121.93 3i5s s TYR 6 Ca 0.07 0.66 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 3i5s s TYR 6 Cb -0.07 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3i5s s TYR 6 CO 0.03 0.63 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.88 3i5s s GLN 7 N -1.55 2.58 0.22 -0.62 -0.21 -0.56 0.23 119.66 119.74 3i5s s GLN 7 Ca 0.26 -0.66 0.05 0.00 0.02 0.00 0.00 55.36 55.03 3i5s s GLN 7 Cb -0.14 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 3i5s s GLN 7 CO 0.14 0.63 -0.05 0.71 -2.12 0.00 0.00 175.29 174.60 3i5s s TYR 8 N -0.79 1.60 -0.02 0.91 2.02 0.08 -1.56 117.35 119.59 3i5s s TYR 8 Ca 0.12 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3i5s s TYR 8 Cb -0.11 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.57 3i5s s TYR 8 CO 0.02 0.09 -0.08 0.50 -1.57 0.00 0.00 175.55 174.51 3i5s s ARG 9 N -3.79 0.79 0.25 -0.62 3.52 -0.05 -1.66 118.95 117.39 3i5s s ARG 9 Ca 0.26 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 3i5s s ARG 9 Cb 0.04 -0.76 -0.10 0.00 -1.56 0.00 0.00 34.95 32.57 3i5s s ARG 9 CO 0.08 0.12 1.39 0.00 -0.81 0.00 0.00 175.30 176.07 3i5s s ALA 10 N 0.09 3.58 -0.17 6.12 0.00 -0.66 -1.25 121.76 129.47 3i5s s ALA 10 Ca -0.01 1.26 0.09 0.00 0.00 0.00 0.00 51.96 53.30 3i5s s ALA 10 Cb -0.07 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.30 3i5s s ALA 10 CO 0.00 -0.67 0.15 1.28 0.00 0.00 0.00 175.76 176.51 3i5s n LEU 11 N 2.21 1.38 -4.28 0.00 4.77 -0.32 -2.13 117.00 118.62 3i5s n LEU 11 Ca 0.06 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 3i5s n LEU 11 Cb 0.41 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3i5s n LEU 11 CO 0.60 0.65 -0.36 -0.31 -1.33 0.00 0.00 177.39 176.64 3i5s s TYR 12 N -2.53 1.38 0.08 -1.77 2.02 -1.25 -4.78 117.35 110.51 3i5s s TYR 12 Ca -0.18 -0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 55.34 3i5s s TYR 12 Cb 0.07 -0.77 -0.06 0.00 -0.40 0.00 0.00 41.96 40.81 3i5s s TYR 12 CO 0.76 -0.02 1.11 -0.51 -1.57 0.00 0.00 175.55 175.31 3i5s s ASP 13 N -3.23 7.22 -0.11 2.29 1.11 -1.26 -4.10 116.67 118.59 3i5s s ASP 13 Ca 0.23 1.94 0.04 0.00 0.18 0.00 0.00 52.55 54.94 3i5s s ASP 13 Cb 0.05 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3i5s s ASP 13 CO 0.05 -0.33 -0.23 -0.47 1.18 0.00 0.00 175.17 175.36 3i5s s TYR 14 N 0.63 2.58 -0.22 4.23 5.04 -0.23 -4.96 117.35 124.42 3i5s s TYR 14 Ca 0.54 -1.12 -0.13 0.00 -2.44 0.00 0.00 57.07 53.92 3i5s s TYR 14 Cb -0.27 -1.73 -0.05 0.00 0.35 0.00 0.00 41.96 40.26 3i5s s TYR 14 CO 0.30 -0.47 0.26 -1.59 -1.34 0.00 0.00 175.55 172.72 3i5s s LYS 15 N 0.46 4.12 0.60 4.97 -2.85 -1.26 -1.73 119.74 124.05 3i5s s LYS 15 Ca -0.16 -0.06 -0.19 0.00 -1.00 0.00 0.00 55.97 54.56 3i5s s LYS 15 Cb -0.17 -3.53 -0.04 0.00 -2.06 0.00 0.00 37.83 32.03 3i5s s LYS 15 CO 0.06 0.03 1.17 0.36 0.10 0.00 0.00 175.35 177.07 3i5s n LYS 16 N 4.33 1.15 0.00 1.78 2.85 -1.26 -4.99 118.16 122.02 3i5s n LYS 16 Ca -0.12 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 3i5s n LYS 16 Cb 0.52 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3i5s n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i5s n GLU 17 N -1.29 0.00 -1.04 -1.58 1.02 -1.26 -5.05 120.64 111.44 3i5s n GLU 17 Ca 0.14 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.97 3i5s n GLU 17 Cb 0.47 -0.10 0.13 0.00 -0.02 0.00 0.00 31.44 31.92 3i5s n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i5s s ARG 18 N -0.63 1.49 0.57 3.49 0.52 -1.26 -4.90 118.95 118.22 3i5s s ARG 18 Ca 0.00 1.18 0.30 0.00 -0.52 0.00 0.00 55.73 56.69 3i5s s ARG 18 Cb 0.00 -1.81 1.73 0.00 0.52 0.00 0.00 34.95 35.39 3i5s s ARG 18 CO 0.00 -2.19 2.19 1.49 0.02 0.00 0.00 175.30 176.82 3i5s h GLU 19 N -1.53 0.00 -0.01 3.54 4.81 -2.04 -2.51 114.58 116.85 3i5s h GLU 19 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3i5s h GLU 19 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3i5s h GLU 19 CO 0.49 0.05 -0.35 0.39 -0.73 0.00 0.00 179.01 178.86 3i5s n GLU 20 N -3.69 0.65 -1.38 1.92 4.71 -1.26 -4.91 120.64 116.68 3i5s n GLU 20 Ca -0.02 -0.40 -0.29 0.00 -0.01 0.00 0.00 57.16 56.43 3i5s n GLU 20 Cb 0.14 -1.49 0.20 0.00 -1.01 0.00 0.00 31.44 29.28 3i5s n GLU 20 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3i5s s ASP 21 N -2.63 2.20 0.10 1.62 1.01 -0.95 -1.18 116.67 116.84 3i5s s ASP 21 Ca 0.20 0.70 0.01 0.00 0.71 0.00 0.00 52.55 54.18 3i5s s ASP 21 Cb 0.19 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 3i5s s ASP 21 CO 0.57 -3.34 -0.05 0.27 0.21 0.00 0.00 175.17 172.84 3i5s s ILE 22 N -3.25 0.57 -0.03 0.77 -4.36 -0.83 -4.52 121.20 109.55 3i5s s ILE 22 Ca 0.69 -1.91 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 3i5s s ILE 22 Cb -0.11 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 3i5s s ILE 22 CO 0.55 -0.84 0.73 -1.81 0.24 0.00 0.00 174.94 173.81 3i5s s ASP 23 N -3.03 7.07 -0.09 4.36 -0.00 -1.26 -4.23 116.67 119.49 3i5s s ASP 23 Ca 0.13 1.29 -0.03 0.00 -0.00 0.00 0.00 52.55 53.93 3i5s s ASP 23 Cb 0.06 -2.44 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 3i5s s ASP 23 CO -0.05 -0.08 0.05 -0.76 -0.00 0.00 0.00 175.17 174.33 3i5s s LEU 24 N 0.55 3.85 0.08 1.23 1.43 -0.71 -4.96 118.68 120.15 3i5s s LEU 24 Ca 0.39 0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 3i5s s LEU 24 Cb -0.19 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3i5s s LEU 24 CO 0.20 0.38 -0.26 -1.00 0.23 0.00 0.00 176.35 175.90 3i5s s HIS 25 N -0.95 2.34 0.05 0.29 3.76 -1.26 -1.07 115.29 118.45 3i5s s HIS 25 Ca 0.14 -0.39 -0.37 0.00 -0.15 0.00 0.00 55.06 54.29 3i5s s HIS 25 Cb -0.12 -1.35 -0.17 0.00 1.11 0.00 0.00 32.58 32.06 3i5s s HIS 25 CO 0.04 0.21 1.36 -0.11 -0.85 0.00 0.00 174.74 175.39 3i5s n LEU 26 N 1.45 1.60 0.00 0.89 7.94 -1.26 -1.17 117.00 126.45 3i5s n LEU 26 Ca -0.17 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3i5s n LEU 26 Cb 0.52 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.30 3i5s n LEU 26 CO 0.23 -1.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.08 3i5s n GLY 27 N 2.60 3.23 3.61 -3.96 0.00 -0.90 -4.98 105.19 104.78 3i5s n GLY 27 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 3i5s n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5s n ASP 28 N 0.05 1.56 -4.66 1.61 9.92 -0.32 -4.57 116.55 120.14 3i5s n ASP 28 Ca 0.00 1.18 -0.35 0.00 -0.53 0.00 0.00 54.79 55.09 3i5s n ASP 28 Cb 0.00 -1.31 -0.09 0.00 -0.64 0.00 0.00 41.12 39.08 3i5s n ASP 28 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3i5s s ILE 29 N -0.89 4.76 0.04 0.53 -1.09 -1.26 -1.65 121.20 121.64 3i5s s ILE 29 Ca 0.61 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.02 3i5s s ILE 29 Cb -0.70 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3i5s s ILE 29 CO 0.59 0.50 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.90 3i5s s LEU 30 N 0.03 2.18 -0.07 2.97 1.02 -0.66 0.05 118.68 124.19 3i5s s LEU 30 Ca 0.05 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.76 3i5s s LEU 30 Cb -0.12 -0.59 -0.02 0.00 0.02 0.00 0.00 46.19 45.48 3i5s s LEU 30 CO 0.01 0.02 -0.16 -0.89 0.02 0.00 0.00 176.35 175.34 3i5s s THR 31 N -0.90 2.83 -0.10 5.49 2.01 -0.36 -0.74 115.64 123.87 3i5s s THR 31 Ca 0.01 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.26 3i5s s THR 31 Cb -0.08 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.32 3i5s s THR 31 CO 0.01 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 3i5s s VAL 32 N -0.34 1.99 0.18 3.82 1.01 0.14 -0.84 120.40 126.35 3i5s s VAL 32 Ca 0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3i5s s VAL 32 Cb -0.13 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 3i5s s VAL 32 CO 0.02 0.54 1.25 0.21 0.00 0.00 0.00 175.10 177.12 3i5s s ASN 33 N 0.42 7.00 0.39 3.32 3.04 -1.26 -0.21 114.94 127.64 3i5s s ASN 33 Ca -0.17 2.29 0.13 0.00 0.04 0.00 0.00 52.86 55.15 3i5s s ASN 33 Cb -0.18 -2.61 0.96 0.00 -1.54 0.00 0.00 41.25 37.89 3i5s s ASN 33 CO 0.07 -0.44 1.86 0.50 -3.04 0.00 0.00 177.10 176.05 3i5s h LYS 34 N 5.39 0.52 -0.19 0.43 3.64 -1.86 -0.80 116.57 123.70 3i5s h LYS 34 Ca -0.44 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3i5s h LYS 34 Cb 1.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3i5s h LYS 34 CO 0.76 0.34 -0.03 0.78 -2.27 0.00 0.00 179.45 179.04 3i5s h GLY 35 N 0.53 0.30 0.84 5.01 0.00 -1.92 -1.88 103.07 105.96 3i5s h GLY 35 Ca 0.45 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3i5s h GLY 35 CO -0.19 0.15 0.26 1.76 0.00 0.00 0.00 176.54 178.51 3i5s h SER 36 N 0.28 0.40 -0.16 0.19 0.02 -1.53 -1.00 113.55 111.74 3i5s h SER 36 Ca 0.06 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 3i5s h SER 36 Cb 0.24 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.71 3i5s h SER 36 CO 0.01 0.28 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.27 3i5s h LEU 37 N 0.51 0.85 0.05 5.07 3.38 -1.53 -3.12 115.31 120.52 3i5s h LEU 37 Ca 0.19 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.57 3i5s h LEU 37 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3i5s h LEU 37 CO -0.10 1.32 -0.20 0.58 0.09 0.00 0.00 178.44 180.12 3i5s h VAL 38 N 0.43 0.53 0.00 1.22 2.07 -1.23 -1.51 116.25 117.77 3i5s h VAL 38 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i5s h VAL 38 Cb 1.27 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3i5s h VAL 38 CO 0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3i5s n ALA 39 N -2.54 1.92 0.31 1.67 0.00 -0.39 -0.33 120.51 121.15 3i5s n ALA 39 Ca -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3i5s n ALA 39 Cb 0.24 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.69 3i5s n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i5s n LEU 40 N -0.56 1.41 -0.50 0.00 4.77 -0.61 -5.00 117.00 116.51 3i5s n LEU 40 Ca 0.01 -0.92 -0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3i5s n LEU 40 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3i5s n LEU 40 CO 0.01 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3i5s n GLY 41 N 0.54 0.93 2.74 -0.72 0.00 0.55 -5.02 105.19 104.22 3i5s n GLY 41 Ca 0.04 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3i5s n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5s n PHE 42 N -2.57 3.27 -2.32 1.61 3.72 -0.96 -4.98 117.46 115.23 3i5s n PHE 42 Ca 0.00 -3.42 -0.26 0.00 -0.05 0.00 0.00 57.45 53.72 3i5s n PHE 42 Cb 0.50 -0.83 0.13 0.00 -0.94 0.00 0.00 39.48 38.34 3i5s n PHE 42 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3i5s s SER 43 N -2.37 3.98 0.00 4.37 1.04 -1.26 -4.47 113.70 114.98 3i5s s SER 43 Ca 0.40 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.78 3i5s s SER 43 Cb 0.17 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3i5s s SER 43 CO -0.05 -2.13 0.00 0.47 0.98 0.00 0.00 173.24 172.51 3i5s n ASP 44 N -3.16 -1.38 -1.53 7.02 10.43 -1.26 -4.46 116.55 122.21 3i5s n ASP 44 Ca 0.14 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.39 3i5s n ASP 44 Cb 0.60 -0.23 0.01 0.00 1.84 0.00 0.00 41.12 43.34 3i5s n ASP 44 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i5s n GLY 45 N -2.46 -0.00 0.28 0.44 0.00 -1.26 -4.91 105.19 97.27 3i5s n GLY 45 Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.82 3i5s n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i5s h GLN 46 N -0.45 0.00 -0.55 1.61 7.50 -1.82 -2.83 115.11 118.57 3i5s h GLN 46 Ca -0.27 0.00 0.16 0.00 0.50 0.00 0.00 58.65 59.04 3i5s h GLN 46 Cb 1.19 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.70 3i5s h GLN 46 CO 0.30 0.06 0.58 1.05 -1.50 0.00 0.00 178.83 179.33 3i5s h GLU 47 N 0.00 0.00 0.00 1.46 9.09 -1.91 0.39 114.58 123.61 3i5s h GLU 47 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5s h GLU 47 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3i5s h GLU 47 CO 0.01 0.00 -0.60 0.00 0.05 0.00 0.00 179.01 178.47 3i5s n ALA 48 N -2.36 3.15 -3.53 1.06 0.00 -1.07 -4.28 120.51 113.48 3i5s n ALA 48 Ca 0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 3i5s n ALA 48 Cb 0.79 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 3i5s n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i5s n ARG 49 N -1.88 1.61 0.20 0.00 1.74 0.14 -4.67 116.66 113.80 3i5s n ARG 49 Ca 0.04 -4.12 0.11 0.00 -0.77 0.00 0.00 57.85 53.10 3i5s n ARG 49 Cb 0.40 -1.99 0.65 0.00 -1.02 0.00 0.00 32.46 30.49 3i5s n ARG 49 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i5s h PRO 50 N 4.77 0.01 -0.00 5.56 0.13 -1.73 -0.68 132.00 140.06 3i5s h PRO 50 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3i5s h PRO 50 Cb 0.77 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3i5s h PRO 50 CO 0.66 0.01 0.01 1.05 -0.23 0.00 0.00 178.00 179.50 3i5s h GLU 51 N 0.01 0.00 0.00 0.86 9.09 -1.84 0.21 114.58 122.91 3i5s h GLU 51 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 3i5s h GLU 51 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3i5s h GLU 51 CO -0.00 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.45 3i5s n GLU 52 N -3.22 0.26 -0.07 1.06 -0.58 -0.26 -3.82 120.64 114.01 3i5s n GLU 52 Ca -0.03 0.03 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 3i5s n GLU 52 Cb 0.08 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 3i5s n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3i5s n ILE 53 N -1.36 0.95 0.00 -3.67 5.41 0.74 -5.04 119.36 116.40 3i5s n ILE 53 Ca 0.11 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3i5s n ILE 53 Cb 0.25 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 3i5s n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i5s n GLY 54 N 1.69 2.21 3.19 7.39 0.00 -1.22 -4.85 105.19 113.60 3i5s n GLY 54 Ca -0.24 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 3i5s n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i5s s TRP 55 N 0.00 1.69 0.23 1.61 0.52 -1.26 -1.01 118.94 120.71 3i5s s TRP 55 Ca 0.00 -0.32 0.10 0.00 0.02 0.00 0.00 56.10 55.90 3i5s s TRP 55 Cb 0.00 -1.08 -0.05 0.00 -1.15 0.00 0.00 33.47 31.19 3i5s s TRP 55 CO 0.00 -0.02 -0.18 -0.51 0.02 0.00 0.00 176.95 176.26 3i5s s LEU 56 N -0.51 2.54 -0.11 2.99 1.43 0.22 -4.87 118.68 120.37 3i5s s LEU 56 Ca 0.07 -0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3i5s s LEU 56 Cb -0.07 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3i5s s LEU 56 CO -0.01 -0.04 -0.07 0.21 0.23 0.00 0.00 176.35 176.68 3i5s s ASN 57 N -3.23 2.17 0.00 2.29 3.84 -1.26 -1.15 114.94 117.60 3i5s s ASN 57 Ca 0.24 -0.30 0.00 0.00 0.21 0.00 0.00 52.86 53.01 3i5s s ASN 57 Cb -0.04 -0.83 0.00 0.00 -0.55 0.00 0.00 41.25 39.83 3i5s s ASN 57 CO 0.10 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.90 3i5s n GLY 58 N 4.95 1.91 3.40 1.21 0.00 -1.02 -4.53 105.19 111.12 3i5s n GLY 58 Ca -0.12 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 3i5s n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i5s s TYR 59 N -7.55 2.97 -0.80 1.61 5.04 -0.02 -2.35 117.35 116.25 3i5s s TYR 59 Ca 0.00 -0.61 -0.26 0.00 -2.44 0.00 0.00 57.07 53.76 3i5s s TYR 59 Cb 0.00 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.31 3i5s s TYR 59 CO 0.00 -0.30 1.33 1.21 -1.34 0.00 0.00 175.55 176.45 3i5s s ASN 60 N 0.95 6.22 0.56 4.32 3.84 0.10 -1.22 114.94 129.70 3i5s s ASN 60 Ca 0.00 -0.66 0.28 0.00 0.21 0.00 0.00 52.86 52.69 3i5s s ASN 60 Cb -0.15 -2.56 1.46 0.00 -0.55 0.00 0.00 41.25 39.46 3i5s s ASN 60 CO 0.01 -1.78 1.94 -0.33 -2.79 0.00 0.00 177.10 174.15 3i5s h GLU 61 N 10.03 0.00 0.15 0.43 4.39 -0.69 0.19 114.58 129.09 3i5s h GLU 61 Ca -0.17 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.19 3i5s h GLU 61 Cb 1.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3i5s h GLU 61 CO 1.31 0.00 -1.73 1.15 -1.16 0.00 0.00 179.01 178.58 3i5s h THR 62 N 0.00 0.88 0.00 1.13 2.02 -1.89 -3.38 112.91 111.67 3i5s h THR 62 Ca 0.27 -2.44 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 3i5s h THR 62 Cb 1.22 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 70.30 3i5s h THR 62 CO -0.00 0.82 -1.63 0.35 0.37 0.00 0.00 175.52 175.43 3i5s n THR 63 N -3.66 0.49 -0.68 3.16 -2.24 -1.09 -5.00 114.28 105.26 3i5s n THR 63 Ca -0.27 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3i5s n THR 63 Cb 1.02 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3i5s n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5s n GLY 64 N 1.30 0.63 3.79 3.38 0.00 0.63 -5.06 105.19 109.86 3i5s n GLY 64 Ca -0.06 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 3i5s n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i5s s GLU 65 N -0.72 2.54 0.04 1.61 2.02 -1.24 -4.92 118.70 118.03 3i5s s GLU 65 Ca 0.00 -1.43 0.06 0.00 0.02 0.00 0.00 54.97 53.61 3i5s s GLU 65 Cb 0.00 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 3i5s s GLU 65 CO 0.00 0.09 -0.16 0.50 0.02 0.00 0.00 175.26 175.71 3i5s s ARG 66 N -3.93 1.06 0.00 1.61 3.52 -1.26 -0.73 118.95 119.23 3i5s s ARG 66 Ca 0.40 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 3i5s s ARG 66 Cb -0.04 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.25 3i5s s ARG 66 CO 0.25 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 3i5s n GLY 67 N 1.87 -0.97 3.89 8.12 0.00 -0.99 -4.80 105.19 112.31 3i5s n GLY 67 Ca -0.18 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 3i5s n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5s s ASP 68 N -4.00 6.49 -0.01 1.61 1.01 -0.32 -2.43 116.67 119.01 3i5s s ASP 68 Ca 0.00 0.89 -0.29 0.00 0.71 0.00 0.00 52.55 53.86 3i5s s ASP 68 Cb 0.00 -2.22 0.08 0.00 1.01 0.00 0.00 42.92 41.79 3i5s s ASP 68 CO 0.00 -0.26 0.72 0.72 0.21 0.00 0.00 175.17 176.56 3i5s s PHE 69 N -2.16 -0.57 0.20 4.23 -0.12 -0.30 -1.96 117.98 117.30 3i5s s PHE 69 Ca 0.47 0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 57.86 3i5s s PHE 69 Cb -0.11 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 3i5s s PHE 69 CO 0.29 -0.63 1.17 -2.14 -0.05 0.00 0.00 175.22 173.87 3i5s s PRO 70 N -1.91 4.53 0.55 1.99 0.02 -1.26 -0.61 135.00 138.30 3i5s s PRO 70 Ca -0.06 1.85 0.34 0.00 0.02 0.00 0.00 61.00 63.14 3i5s s PRO 70 Cb -0.00 -3.24 1.50 0.00 0.02 0.00 0.00 34.50 32.78 3i5s s PRO 70 CO 0.02 -0.02 2.04 0.78 -0.33 0.00 0.00 177.00 179.49 3i5s h GLY 71 N 4.98 0.00 0.97 0.52 0.00 -1.27 -2.55 103.07 105.72 3i5s h GLY 71 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i5s h GLY 71 CO 0.73 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.96 3i5s n THR 72 N -3.19 0.00 0.75 4.70 -2.24 -1.26 -2.74 114.28 110.31 3i5s n THR 72 Ca -0.00 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3i5s n THR 72 Cb 0.28 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3i5s n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i5s n TYR 73 N -0.95 0.00 -4.67 4.78 4.02 -0.96 -4.97 117.16 114.41 3i5s n TYR 73 Ca 0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.81 3i5s n TYR 73 Cb 0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.39 3i5s n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i5s s VAL 74 N -1.99 1.38 -0.07 -0.72 -7.23 -1.20 -1.18 120.40 109.38 3i5s s VAL 74 Ca 0.14 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3i5s s VAL 74 Cb 0.14 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.63 3i5s s VAL 74 CO 0.43 0.00 0.14 -0.70 -0.31 0.00 0.00 175.10 174.66 3i5s s GLU 75 N -3.81 0.02 0.07 4.82 2.12 -0.38 -4.85 118.70 116.68 3i5s s GLU 75 Ca 0.19 0.50 -0.31 0.00 0.36 0.00 0.00 54.97 55.72 3i5s s GLU 75 Cb 0.05 -0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.07 3i5s s GLU 75 CO 0.10 -0.29 1.49 -0.47 -0.54 0.00 0.00 175.26 175.55 3i5s s TYR 76 N 2.12 2.84 0.00 5.30 5.04 -1.26 -0.87 117.35 130.52 3i5s s TYR 76 Ca 0.02 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3i5s s TYR 76 Cb -0.12 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.40 3i5s s TYR 76 CO -0.05 -2.98 0.52 0.44 -1.34 0.00 0.00 175.55 172.14 3i5s n ILE 77 N 4.43 0.12 0.00 3.14 -5.35 -0.60 -4.95 119.36 116.14 3i5s n ILE 77 Ca 0.14 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3i5s n ILE 77 Cb 0.42 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3i5s n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i5s n GLY 78 N -0.06 0.56 3.46 3.28 0.00 -1.23 -4.98 105.19 106.22 3i5s n GLY 78 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 3i5s n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i5s s ARG 79 N -1.12 1.51 0.00 1.61 1.70 -1.26 -1.50 118.95 119.89 3i5s s ARG 79 Ca 0.00 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 3i5s s ARG 79 Cb 0.00 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3i5s s ARG 79 CO 0.00 -0.60 0.00 0.36 -1.08 0.00 0.00 175.30 173.98