#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q s VAL 2 N 0.00 4.89 0.10 1.12 -7.23 -1.26 -0.74 120.40 117.29 3i1q s VAL 2 Ca 0.00 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3i1q s VAL 2 Cb 0.00 -4.55 -0.06 0.00 0.56 0.00 0.00 36.38 32.33 3i1q s VAL 2 CO 0.00 -1.21 0.38 -0.89 -0.31 0.00 0.00 175.10 173.07 3i1q s THR 3 N 2.38 5.14 -0.27 5.32 2.01 -0.52 -2.71 115.64 126.99 3i1q s THR 3 Ca 0.17 0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 3i1q s THR 3 Cb -0.18 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3i1q s THR 3 CO 0.01 0.18 0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 3i1q s ILE 4 N -1.51 5.32 0.29 1.82 1.01 -1.24 -0.48 121.20 126.40 3i1q s ILE 4 Ca 0.36 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3i1q s ILE 4 Cb -0.13 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 3i1q s ILE 4 CO 0.21 0.27 0.31 0.00 0.00 0.00 0.00 174.94 175.73 3i1q s ARG 5 N 1.61 1.62 -0.23 2.79 1.70 0.83 -1.48 118.95 125.79 3i1q s ARG 5 Ca 0.07 -1.76 -0.18 0.00 -0.47 0.00 0.00 55.73 53.39 3i1q s ARG 5 Cb -0.15 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3i1q s ARG 5 CO 0.10 -0.61 0.52 -0.51 -1.08 0.00 0.00 175.30 173.72 3i1q s LEU 6 N -3.24 4.10 -0.19 -1.89 1.02 -1.26 -1.30 118.68 115.92 3i1q s LEU 6 Ca 0.36 0.61 -0.03 0.00 0.02 0.00 0.00 54.13 55.09 3i1q s LEU 6 Cb 0.03 -2.70 -0.01 0.00 0.02 0.00 0.00 46.19 43.53 3i1q s LEU 6 CO 0.19 -0.24 -0.06 0.00 0.02 0.00 0.00 176.35 176.26 3i1q s ALA 7 N 1.99 2.79 -0.15 4.21 0.00 -1.03 -4.81 121.76 124.77 3i1q s ALA 7 Ca 0.23 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 3i1q s ALA 7 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 3i1q s ALA 7 CO 0.09 -0.19 1.06 0.50 0.00 0.00 0.00 175.76 177.22 3i1q s ARG 8 N 1.07 4.35 0.00 0.00 3.52 -1.26 -1.29 118.95 125.33 3i1q s ARG 8 Ca 0.01 1.43 0.00 0.00 -0.13 0.00 0.00 55.73 57.04 3i1q s ARG 8 Cb -0.15 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 3i1q s ARG 8 CO -0.01 -0.47 0.07 0.72 -0.81 0.00 0.00 175.30 174.81 3i1q n HIS 9 N 5.59 0.00 0.00 5.12 8.25 -0.87 -4.93 115.22 128.38 3i1q n HIS 9 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3i1q n HIS 9 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3i1q n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1q n GLY 10 N 0.26 -1.90 0.00 -1.41 0.00 -1.14 -4.78 105.19 96.21 3i1q n GLY 10 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i1q n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n ALA 11 N -2.32 0.00 -1.71 4.61 0.00 -1.16 -4.80 120.51 115.13 3i1q n ALA 11 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i1q n ALA 11 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i1q n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i1q s LYS 12 N -2.00 4.14 0.00 0.00 2.20 -1.26 -2.90 119.74 119.92 3i1q s LYS 12 Ca 0.00 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 3i1q s LYS 12 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3i1q s LYS 12 CO 0.00 -0.88 0.00 1.63 -0.36 0.00 0.00 175.35 175.74 3i1q n LYS 13 N 6.31 0.00 -3.36 4.03 4.76 -1.26 -4.83 118.16 123.81 3i1q n LYS 13 Ca 0.18 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.37 3i1q n LYS 13 Cb 0.39 -0.91 -0.09 0.00 -1.84 0.00 0.00 35.03 32.58 3i1q n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1q n ARG 14 N -2.00 0.80 -0.37 1.97 1.74 -1.14 -5.13 116.66 112.52 3i1q n ARG 14 Ca 0.00 -3.47 -0.27 0.00 -0.77 0.00 0.00 57.85 53.33 3i1q n ARG 14 Cb 0.00 -1.60 0.25 0.00 -1.02 0.00 0.00 32.46 30.09 3i1q n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i1q n PRO 15 N 1.97 -3.62 -3.04 5.56 -0.04 -1.22 -2.97 135.00 131.63 3i1q n PRO 15 Ca 0.25 -1.07 0.05 0.00 -0.04 0.00 0.00 63.50 62.70 3i1q n PRO 15 Cb 0.48 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3i1q n PRO 15 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i1q s PHE 16 N -2.17 -0.15 0.34 0.54 2.19 -1.26 -4.53 117.98 112.94 3i1q s PHE 16 Ca 0.60 0.07 -0.06 0.00 0.33 0.00 0.00 56.93 57.87 3i1q s PHE 16 Cb -0.13 0.03 0.08 0.00 -1.31 0.00 0.00 43.02 41.68 3i1q s PHE 16 CO 0.54 -0.09 0.43 0.66 1.83 0.00 0.00 175.22 178.59 3i1q n TYR 17 N 4.68 -3.89 -3.19 10.12 4.02 -1.16 -2.06 117.16 125.69 3i1q n TYR 17 Ca 0.09 -0.38 0.01 0.00 -0.01 0.00 0.00 57.90 57.61 3i1q n TYR 17 Cb 0.60 -0.35 -0.02 0.00 -0.02 0.00 0.00 39.34 39.56 3i1q n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3i1q s GLN 18 N -3.95 0.53 0.21 -0.72 2.00 -0.41 -3.56 119.66 113.76 3i1q s GLN 18 Ca 0.25 0.57 -0.31 0.00 -2.00 0.00 0.00 55.36 53.88 3i1q s GLN 18 Cb -0.01 0.19 -0.10 0.00 0.80 0.00 0.00 33.01 33.89 3i1q s GLN 18 CO 0.18 -0.94 1.48 0.54 -0.50 0.00 0.00 175.29 176.05 3i1q s VAL 19 N 2.77 2.69 -0.09 1.34 0.11 -0.43 -2.45 120.40 124.33 3i1q s VAL 19 Ca 0.12 0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 59.45 3i1q s VAL 19 Cb -0.12 -3.35 0.06 0.00 -1.53 0.00 0.00 36.38 31.45 3i1q s VAL 19 CO -0.25 0.07 0.62 0.54 -3.33 0.00 0.00 175.10 172.75 3i1q s VAL 20 N 0.48 0.01 -0.28 2.04 0.11 -0.42 -2.91 120.40 119.44 3i1q s VAL 20 Ca 0.63 -0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 59.40 3i1q s VAL 20 Cb -0.42 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 3i1q s VAL 20 CO 0.38 -0.04 0.69 -0.69 -3.33 0.00 0.00 175.10 172.11 3i1q s VAL 21 N -0.83 4.91 0.34 2.04 1.01 -1.13 -0.12 120.40 126.63 3i1q s VAL 21 Ca -0.09 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.03 3i1q s VAL 21 Cb -0.02 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3i1q s VAL 21 CO 0.07 -0.09 0.40 0.00 0.00 0.00 0.00 175.10 175.48 3i1q s ALA 22 N 2.67 1.26 -0.21 5.51 0.00 0.37 0.25 121.76 131.61 3i1q s ALA 22 Ca 0.28 -1.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 3i1q s ALA 22 Cb -0.15 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 3i1q s ALA 22 CO 0.10 -0.74 0.79 0.34 0.00 0.00 0.00 175.76 176.25 3i1q s ASP 23 N -3.30 6.84 0.38 0.00 -1.08 -1.26 -1.44 116.67 116.80 3i1q s ASP 23 Ca 0.35 1.04 0.20 0.00 -0.52 0.00 0.00 52.55 53.62 3i1q s ASP 23 Cb 0.01 -2.42 1.21 0.00 -1.46 0.00 0.00 42.92 40.26 3i1q s ASP 23 CO 0.24 -0.42 1.65 0.77 0.52 0.00 0.00 175.17 177.93 3i1q h SER 24 N 7.52 0.41 0.58 -0.34 4.64 -1.27 0.44 113.55 125.53 3i1q h SER 24 Ca -0.27 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3i1q h SER 24 Cb 1.12 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i1q h SER 24 CO 0.84 -0.16 -0.09 0.03 -0.87 0.00 0.00 176.83 176.57 3i1q h ARG 25 N 0.23 0.00 -7.06 4.77 3.08 -1.92 -3.44 114.38 110.04 3i1q h ARG 25 Ca 0.76 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 60.35 3i1q h ARG 25 Cb 1.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 3i1q h ARG 25 CO -0.54 0.09 0.31 -0.80 -1.07 0.00 0.00 179.97 177.96 3i1q s ASN 26 N -5.91 6.77 1.13 7.04 0.02 0.14 -5.05 114.94 119.08 3i1q s ASN 26 Ca -0.02 1.56 -0.13 0.00 -1.02 0.00 0.00 52.86 53.26 3i1q s ASN 26 Cb 0.12 -2.49 0.27 0.00 0.02 0.00 0.00 41.25 39.16 3i1q s ASN 26 CO 0.56 -0.43 1.04 0.00 0.02 0.00 0.00 177.10 178.29 3i1q s ALA 27 N -2.34 -0.17 0.12 0.60 0.00 -1.26 -4.89 121.76 113.81 3i1q s ALA 27 Ca 0.59 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 3i1q s ALA 27 Cb -0.10 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 3i1q s ALA 27 CO 0.22 -3.63 1.74 -0.09 0.00 0.00 0.00 175.76 173.99 3i1q h ARG 28 N -2.47 0.08 -0.64 0.00 2.43 -1.96 -2.35 114.38 109.47 3i1q h ARG 28 Ca -0.60 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3i1q h ARG 28 Cb 1.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3i1q h ARG 28 CO 0.53 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 179.13 3i1q n ASN 29 N -5.09 4.51 -0.49 -3.80 3.02 -1.26 -4.68 115.26 107.47 3i1q n ASN 29 Ca -0.04 -2.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 3i1q n ASN 29 Cb 0.07 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 3i1q n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1q n GLY 30 N 0.97 1.33 3.77 7.41 0.00 -0.89 -5.01 105.19 112.77 3i1q n GLY 30 Ca 0.24 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 3i1q n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1q s ARG 31 N 2.03 4.25 0.28 1.61 3.52 -1.26 -4.99 118.95 124.40 3i1q s ARG 31 Ca 0.00 1.98 0.03 0.00 -0.13 0.00 0.00 55.73 57.62 3i1q s ARG 31 Cb 0.00 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3i1q s ARG 31 CO 0.00 -0.19 0.19 -0.59 -0.81 0.00 0.00 175.30 173.90 3i1q s PHE 32 N -1.26 1.53 -0.11 5.12 -0.12 -1.26 -4.34 117.98 117.54 3i1q s PHE 32 Ca 0.52 -1.48 0.16 0.00 -0.05 0.00 0.00 56.93 56.08 3i1q s PHE 32 Cb -0.34 -0.72 -0.24 0.00 -0.63 0.00 0.00 43.02 41.08 3i1q s PHE 32 CO 0.45 -0.68 0.19 -0.89 -0.05 0.00 0.00 175.22 174.24 3i1q n ILE 33 N -0.51 0.70 0.00 -4.49 5.41 0.69 -4.90 119.36 116.25 3i1q n ILE 33 Ca 0.04 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3i1q n ILE 33 Cb 0.64 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 3i1q n ILE 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3i1q n GLU 34 N -2.43 0.00 -1.83 0.38 0.28 -1.08 -5.00 120.64 110.95 3i1q n GLU 34 Ca -0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.48 3i1q n GLU 34 Cb 0.82 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.73 3i1q n GLU 34 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3i1q s ARG 35 N -1.82 2.84 0.00 3.44 3.52 -1.26 -2.84 118.95 122.83 3i1q s ARG 35 Ca 0.00 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 3i1q s ARG 35 Cb 0.00 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 3i1q s ARG 35 CO 0.00 -1.23 0.12 1.55 -0.81 0.00 0.00 175.30 174.92 3i1q n VAL 36 N -2.19 0.00 -0.10 7.11 3.14 -1.14 -4.91 118.33 120.24 3i1q n VAL 36 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 3i1q n VAL 36 Cb 0.51 0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 3i1q n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1q n GLY 37 N 0.00 0.85 3.30 7.55 0.00 -1.16 -2.95 105.19 112.78 3i1q n GLY 37 Ca 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 3i1q n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1q s PHE 38 N -1.55 1.21 -0.38 1.61 -0.12 -1.25 -1.32 117.98 116.19 3i1q s PHE 38 Ca 0.00 -1.36 0.07 0.00 -0.05 0.00 0.00 56.93 55.58 3i1q s PHE 38 Cb 0.00 -0.45 0.18 0.00 -0.63 0.00 0.00 43.02 42.12 3i1q s PHE 38 CO 0.00 -0.80 0.58 0.12 -0.05 0.00 0.00 175.22 175.07 3i1q s PHE 39 N -3.82 -1.55 -0.43 3.49 5.36 -1.23 -3.62 117.98 116.18 3i1q s PHE 39 Ca 0.36 0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 56.33 3i1q s PHE 39 Cb 0.04 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.93 3i1q s PHE 39 CO 0.17 -1.13 1.46 1.21 -1.46 0.00 0.00 175.22 175.47 3i1q s ASN 40 N 2.01 6.24 0.64 6.13 3.84 -1.24 -2.96 114.94 129.59 3i1q s ASN 40 Ca 0.15 0.80 0.34 0.00 0.21 0.00 0.00 52.86 54.35 3i1q s ASN 40 Cb -0.07 -2.54 1.87 0.00 -0.55 0.00 0.00 41.25 39.96 3i1q s ASN 40 CO -0.11 -1.52 2.12 1.55 -2.79 0.00 0.00 177.10 176.34 3i1q h PRO 41 N 11.09 0.00 0.00 0.43 0.13 -1.90 -3.38 132.00 138.37 3i1q h PRO 41 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i1q h PRO 41 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i1q h PRO 41 CO 1.09 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.97 3i1q n ILE 42 N -3.30 0.00 0.00 -3.56 2.08 -1.26 -4.94 119.36 108.38 3i1q n ILE 42 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3i1q n ILE 42 Cb 0.28 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 3i1q n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1q n ALA 43 N -3.00 0.00 -0.36 -1.39 0.00 -1.26 -4.78 120.51 109.72 3i1q n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i1q n ALA 43 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i1q n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1q n SER 44 N 0.35 -2.00 -4.55 0.00 3.41 -1.26 -4.63 113.62 104.94 3i1q n SER 44 Ca 0.00 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 3i1q n SER 44 Cb 0.00 -1.21 -0.04 0.00 -0.26 0.00 0.00 64.21 62.70 3i1q n SER 44 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i1q s GLU 45 N -3.03 2.18 0.00 4.33 2.12 -1.26 -4.77 118.70 118.28 3i1q s GLU 45 Ca 0.00 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.99 3i1q s GLU 45 Cb 0.00 -4.68 0.00 0.00 0.26 0.00 0.00 34.13 29.71 3i1q s GLU 45 CO 0.00 -3.46 0.00 0.36 -0.54 0.00 0.00 175.26 171.62 3i1q n LYS 46 N 8.98 0.00 0.00 4.30 -0.00 -1.26 -5.12 118.16 125.06 3i1q n LYS 46 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3i1q n LYS 46 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 3i1q n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i1q n GLU 47 N 0.00 0.00 -2.50 -1.58 1.02 -1.26 -4.73 120.64 111.59 3i1q n GLU 47 Ca 0.00 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 3i1q n GLU 47 Cb 0.00 -0.53 0.03 0.00 -0.02 0.00 0.00 31.44 30.92 3i1q n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3i1q s GLU 48 N -0.05 3.00 0.01 3.49 2.56 -1.26 -5.01 118.70 121.43 3i1q s GLU 48 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.91 3i1q s GLU 48 Cb 0.00 -2.32 0.00 0.00 2.00 0.00 0.00 34.13 33.81 3i1q s GLU 48 CO 0.00 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 3i1q n GLY 49 N -2.48 -1.46 2.71 -1.50 0.00 -1.26 -4.87 105.19 96.32 3i1q n GLY 49 Ca 0.04 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 3i1q n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1q s THR 50 N -1.03 -0.33 0.68 2.61 2.01 -1.26 -3.69 115.64 114.64 3i1q s THR 50 Ca 0.00 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 3i1q s THR 50 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 3i1q s THR 50 CO 0.00 -0.51 1.07 -0.60 -0.69 0.00 0.00 174.62 173.89 3i1q s ARG 51 N 2.30 3.05 -0.29 4.92 3.52 -1.24 -5.02 118.95 126.19 3i1q s ARG 51 Ca 0.09 0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 56.19 3i1q s ARG 51 Cb -0.14 -2.03 0.17 0.00 -1.56 0.00 0.00 34.95 31.39 3i1q s ARG 51 CO -0.33 -0.95 1.08 -1.17 -0.81 0.00 0.00 175.30 173.13 3i1q s LEU 52 N -5.37 -0.37 -0.38 -0.88 2.96 -1.26 -3.84 118.68 109.54 3i1q s LEU 52 Ca 0.57 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 55.01 3i1q s LEU 52 Cb -0.12 1.50 0.13 0.00 0.50 0.00 0.00 46.19 48.19 3i1q s LEU 52 CO 0.53 -0.09 2.46 -0.67 -1.32 0.00 0.00 176.35 177.26 3i1q n ASP 53 N 3.86 6.45 -0.10 3.68 2.03 -1.15 -4.86 116.55 126.46 3i1q n ASP 53 Ca -0.15 -3.13 0.08 0.00 0.52 0.00 0.00 54.79 52.11 3i1q n ASP 53 Cb 0.56 -1.16 0.15 0.00 -0.72 0.00 0.00 41.12 39.96 3i1q n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i1q n LEU 54 N 0.66 0.06 -0.01 -2.67 4.32 -1.26 -1.11 117.00 116.99 3i1q n LEU 54 Ca 0.41 0.52 -0.06 0.00 -0.02 0.00 0.00 56.01 56.85 3i1q n LEU 54 Cb 0.58 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 42.10 3i1q n LEU 54 CO 0.35 -0.56 0.50 -2.24 -1.22 0.00 0.00 177.39 174.22 3i1q h ASP 55 N 0.00 -0.72 -0.59 -1.43 -0.00 -1.99 -0.92 116.42 110.77 3i1q h ASP 55 Ca 0.24 0.09 0.06 0.00 -0.00 0.00 0.00 57.03 57.42 3i1q h ASP 55 Cb 0.60 0.28 -0.04 0.00 -0.00 0.00 0.00 39.33 40.17 3i1q h ASP 55 CO -0.26 -0.19 0.39 0.03 -0.00 0.00 0.00 179.24 179.21 3i1q h ARG 56 N -0.23 0.56 0.21 4.15 2.47 -1.55 -1.98 114.38 118.01 3i1q h ARG 56 Ca 0.01 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i1q h ARG 56 Cb 0.28 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 3i1q h ARG 56 CO -0.19 0.37 -0.33 0.82 0.56 0.00 0.00 179.97 181.20 3i1q h ILE 57 N 0.57 0.31 0.00 2.04 2.04 -1.39 -0.41 117.51 120.67 3i1q h ILE 57 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 3i1q h ILE 57 Cb 0.28 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3i1q h ILE 57 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.08 3i1q n ALA 58 N -2.68 1.55 0.03 1.87 0.00 -0.42 -1.47 120.51 119.39 3i1q n ALA 58 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3i1q n ALA 58 Cb 0.34 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 3i1q n ALA 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i1q h HIS 59 N 0.00 -0.16 -0.66 0.00 -0.00 -0.41 -0.39 115.15 113.53 3i1q h HIS 59 Ca 0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.47 3i1q h HIS 59 Cb 0.25 0.05 -0.08 0.00 -0.00 0.00 0.00 27.41 27.63 3i1q h HIS 59 CO 0.00 0.17 0.25 -1.49 -0.00 0.00 0.00 177.93 176.87 3i1q h TRP 60 N -0.98 0.44 -0.88 5.26 4.06 -0.88 0.40 115.95 123.37 3i1q h TRP 60 Ca -0.02 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.02 3i1q h TRP 60 Cb 0.40 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.41 3i1q h TRP 60 CO 0.07 0.10 0.58 0.28 -3.56 0.00 0.00 178.44 175.90 3i1q h VAL 61 N 0.43 1.09 -0.47 1.49 2.07 -1.33 0.12 116.25 119.66 3i1q h VAL 61 Ca 0.34 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3i1q h VAL 61 Cb 0.45 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3i1q h VAL 61 CO -0.33 0.19 0.20 1.23 0.02 0.00 0.00 177.57 178.88 3i1q h GLY 62 N 1.03 0.70 1.97 2.17 0.00 0.14 0.27 103.07 109.36 3i1q h GLY 62 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i1q h GLY 62 CO -0.13 0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.66 3i1q n GLN 63 N -4.37 0.02 0.00 4.80 3.00 0.85 -4.85 117.38 116.82 3i1q n GLN 63 Ca 0.04 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3i1q n GLN 63 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.88 3i1q n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1q n GLY 64 N 0.08 1.42 0.00 1.08 0.00 0.95 -5.08 105.19 103.65 3i1q n GLY 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1q n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n ALA 65 N -0.64 0.00 -3.00 4.61 0.00 -0.86 -4.92 120.51 115.70 3i1q n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1q n THR 66 N -1.94 0.00 0.00 0.00 -2.24 -1.10 -4.82 114.28 104.18 3i1q n THR 66 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1q n THR 66 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i1q n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1q n ILE 67 N 0.00 0.00 -2.17 2.28 0.13 -1.26 -4.42 119.36 113.92 3i1q n ILE 67 Ca 0.00 0.00 -0.38 0.00 -1.10 0.00 0.00 62.75 61.27 3i1q n ILE 67 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 38.79 3i1q n ILE 67 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 3i1q s SER 68 N 0.00 6.25 0.59 9.51 0.01 -0.55 -4.83 113.70 124.68 3i1q s SER 68 Ca 0.00 2.46 0.37 0.00 1.31 0.00 0.00 55.95 60.09 3i1q s SER 68 Cb 0.00 -2.62 1.74 0.00 0.21 0.00 0.00 66.02 65.35 3i1q s SER 68 CO 0.00 -0.87 2.12 -2.24 0.41 0.00 0.00 173.24 172.66 3i1q h ASP 69 N 2.38 0.00 0.70 2.44 3.04 -1.98 0.60 116.42 123.60 3i1q h ASP 69 Ca -0.49 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.27 3i1q h ASP 69 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3i1q h ASP 69 CO 0.61 0.01 -1.33 -1.14 -2.04 0.00 0.00 179.24 175.36 3i1q n ARG 70 N -3.12 0.62 -0.05 4.15 3.00 -1.26 -2.49 116.66 117.52 3i1q n ARG 70 Ca -0.01 0.06 -0.14 0.00 -0.00 0.00 0.00 57.85 57.76 3i1q n ARG 70 Cb 0.22 -1.75 -0.12 0.00 0.00 0.00 0.00 32.46 30.82 3i1q n ARG 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i1q h VAL 71 N 0.00 1.64 -0.93 5.15 2.07 -1.69 -2.59 116.25 119.90 3i1q h VAL 71 Ca -0.03 -1.96 0.26 0.00 0.82 0.00 0.00 66.70 65.79 3i1q h VAL 71 Cb 1.10 2.96 -0.14 0.00 -1.52 0.00 0.00 31.29 33.69 3i1q h VAL 71 CO 0.01 0.52 0.40 0.00 0.02 0.00 0.00 177.57 178.52 3i1q h ALA 72 N 0.18 1.58 0.61 1.67 0.00 0.05 0.63 119.26 123.97 3i1q h ALA 72 Ca -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i1q h ALA 72 Cb 0.88 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i1q h ALA 72 CO 0.01 -0.47 -0.40 0.00 0.00 0.00 0.00 179.25 178.40 3i1q h ALA 73 N 1.79 -1.19 -0.72 0.00 0.00 -1.51 -0.47 119.26 117.16 3i1q h ALA 73 Ca 0.62 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.48 3i1q h ALA 73 Cb 1.30 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 3i1q h ALA 73 CO -0.60 -1.16 -0.20 -0.07 0.00 0.00 0.00 179.25 177.21 3i1q h LEU 74 N -0.95 -0.75 -0.10 0.00 3.38 -0.64 0.32 115.31 116.58 3i1q h LEU 74 Ca -0.08 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3i1q h LEU 74 Cb 0.77 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 3i1q h LEU 74 CO 0.07 -0.25 -0.26 0.40 0.09 0.00 0.00 178.44 178.49 3i1q h ILE 75 N -0.02 0.39 -0.14 1.22 2.04 0.48 0.51 117.51 122.00 3i1q h ILE 75 Ca 0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.20 3i1q h ILE 75 Cb 0.54 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3i1q h ILE 75 CO -0.75 0.00 0.00 1.17 0.00 0.00 0.00 178.15 178.57 3i1q n LYS 76 N -5.38 1.32 -0.11 2.37 3.00 -0.21 -2.97 118.16 116.18 3i1q n LYS 76 Ca -0.03 -0.49 -0.16 0.00 -0.00 0.00 0.00 58.31 57.63 3i1q n LYS 76 Cb 0.29 -1.12 -0.10 0.00 0.00 0.00 0.00 35.03 34.11 3i1q n LYS 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3i1q n GLU 77 N -0.11 0.54 -0.28 1.64 0.00 0.10 -4.16 120.64 118.37 3i1q n GLU 77 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.34 3i1q n GLU 77 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.13 3i1q n GLU 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 3i1q n VAL 78 N -3.19 1.56 0.00 6.31 3.14 0.16 -4.95 118.33 121.36 3i1q n VAL 78 Ca -0.39 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 3i1q n VAL 78 Cb 0.90 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 3i1q n VAL 78 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1q n ASN 79 N 1.07 0.00 0.00 6.55 3.02 -1.23 -4.75 115.26 119.93 3i1q n ASN 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i1q n ASN 79 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3i1q n ASN 79 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i1q n LYS 80 N 7.06 0.00 0.00 3.52 4.81 -1.26 -4.36 118.16 127.93 3i1q n LYS 80 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3i1q n LYS 80 Cb 0.00 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.35 3i1q n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1q n ALA 81 N -2.17 2.87 -0.28 3.14 0.00 -1.26 -5.07 120.51 117.73 3i1q n ALA 81 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3i1q n ALA 81 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3i1q n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50