#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihz s GLU 7 N 0.00 4.26 -0.11 3.23 2.02 -1.26 -5.00 118.70 121.83 3ihz s GLU 7 Ca 0.00 1.34 -0.18 0.00 0.02 0.00 0.00 54.97 56.15 3ihz s GLU 7 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 3ihz s GLU 7 CO 0.00 -0.03 0.47 -1.14 0.02 0.00 0.00 175.26 174.58 3ihz s GLN 8 N -2.65 4.32 -0.30 1.61 2.00 -1.26 -4.14 119.66 119.25 3ihz s GLN 8 Ca 0.58 0.44 -0.06 0.00 -2.00 0.00 0.00 55.36 54.32 3ihz s GLN 8 Cb -0.17 -3.43 0.02 0.00 0.80 0.00 0.00 33.01 30.23 3ihz s GLN 8 CO 0.22 0.18 0.07 0.08 -0.50 0.00 0.00 175.29 175.34 3ihz s VAL 9 N 0.55 3.81 -0.02 1.34 1.01 0.12 -4.93 120.40 122.29 3ihz s VAL 9 Ca 0.26 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3ihz s VAL 9 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3ihz s VAL 9 CO 0.10 0.01 0.93 -1.00 0.00 0.00 0.00 175.10 175.15 3ihz s HIS 10 N 1.45 3.64 -1.15 5.22 3.76 -1.26 -0.37 115.29 126.58 3ihz s HIS 10 Ca 0.01 1.61 0.12 0.00 -0.15 0.00 0.00 55.06 56.65 3ihz s HIS 10 Cb -0.18 -3.07 0.01 0.00 1.11 0.00 0.00 32.58 30.46 3ihz s HIS 10 CO 0.02 -0.01 0.73 1.28 -0.85 0.00 0.00 174.74 175.91 3ihz n LEU 11 N 3.94 1.45 -4.23 0.89 4.77 -0.42 -4.95 117.00 118.45 3ihz n LEU 11 Ca 0.05 -0.80 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 3ihz n LEU 11 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ihz n LEU 11 CO 0.51 0.28 -0.32 0.42 -1.33 0.00 0.00 177.39 176.95 3ihz s THR 12 N -1.43 0.60 -1.21 -5.08 -4.23 -1.25 -4.98 115.64 98.05 3ihz s THR 12 Ca 0.10 -1.97 0.30 0.00 -1.18 0.00 0.00 61.69 58.94 3ihz s THR 12 Cb 0.10 -2.12 0.38 0.00 1.34 0.00 0.00 72.50 72.19 3ihz s THR 12 CO 0.27 -0.46 1.99 -0.62 -0.54 0.00 0.00 174.62 175.26 3ihz n GLU 13 N -0.23 0.21 -0.26 3.99 1.02 -1.26 -3.66 120.64 120.46 3ihz n GLU 13 Ca -0.06 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.18 3ihz n GLU 13 Cb 0.63 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.79 3ihz n GLU 13 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ihz n ASP 14 N -1.39 3.48 0.00 1.62 5.68 -1.26 -4.94 116.55 119.73 3ihz n ASP 14 Ca 0.11 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 3ihz n ASP 14 Cb 0.29 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3ihz n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ihz n GLY 15 N 1.29 0.63 0.06 6.12 0.00 -1.24 -4.88 105.19 107.16 3ihz n GLY 15 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3ihz n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihz n GLY 16 N -2.00 -1.60 2.72 -0.02 0.00 -1.26 -4.52 105.19 98.51 3ihz n GLY 16 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3ihz n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihz s VAL 17 N -3.06 0.51 -0.11 1.61 1.01 -1.26 -0.85 120.40 118.27 3ihz s VAL 17 Ca 0.12 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3ihz s VAL 17 Cb 0.15 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3ihz s VAL 17 CO 0.57 -0.31 -0.07 -0.69 0.00 0.00 0.00 175.10 174.61 3ihz s VAL 18 N 1.85 0.97 -0.20 2.92 1.01 -0.72 -1.30 120.40 124.94 3ihz s VAL 18 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3ihz s VAL 18 Cb -0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3ihz s VAL 18 CO -0.12 0.36 0.06 -0.75 0.00 0.00 0.00 175.10 174.65 3ihz s LYS 19 N 1.67 3.86 -0.24 2.72 2.20 0.51 -1.01 119.74 129.44 3ihz s LYS 19 Ca 0.04 -0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 3ihz s LYS 19 Cb -0.13 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3ihz s LYS 19 CO -0.07 0.12 0.07 0.99 -0.36 0.00 0.00 175.35 176.10 3ihz s THR 20 N 0.77 4.38 -0.23 3.43 2.01 0.68 0.16 115.64 126.84 3ihz s THR 20 Ca 0.03 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 3ihz s THR 20 Cb -0.13 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3ihz s THR 20 CO 0.02 0.35 1.00 -0.63 -0.69 0.00 0.00 174.62 174.67 3ihz s ILE 21 N 1.46 4.71 -0.17 1.82 1.01 -1.26 -0.62 121.20 128.15 3ihz s ILE 21 Ca 0.06 1.93 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 3ihz s ILE 21 Cb -0.15 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 37.83 3ihz s ILE 21 CO 0.04 -0.16 0.25 0.18 0.00 0.00 0.00 174.94 175.25 3ihz n LEU 22 N 6.26 2.25 -3.86 2.97 4.77 -0.06 -4.82 117.00 124.51 3ihz n LEU 22 Ca 0.11 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 56.11 3ihz n LEU 22 Cb 0.46 -1.03 -0.16 0.00 -2.33 0.00 0.00 43.42 40.36 3ihz n LEU 22 CO 0.51 0.57 -0.41 -0.60 -1.33 0.00 0.00 177.39 176.13 3ihz s ARG 23 N -2.46 1.24 0.38 3.23 3.52 -0.59 -4.99 118.95 119.27 3ihz s ARG 23 Ca -0.26 -0.58 -0.27 0.00 -0.13 0.00 0.00 55.73 54.49 3ihz s ARG 23 Cb 0.07 -2.13 -0.11 0.00 -1.56 0.00 0.00 34.95 31.22 3ihz s ARG 23 CO 0.67 -0.52 1.36 1.17 -0.81 0.00 0.00 175.30 177.17 3ihz n LYS 24 N 4.88 2.26 -0.32 5.12 0.00 -1.26 -1.35 118.16 127.49 3ihz n LYS 24 Ca -0.11 0.79 0.00 0.00 0.00 0.00 0.00 58.31 59.00 3ihz n LYS 24 Cb 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.03 3ihz n LYS 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ihz n GLY 25 N 0.67 0.37 3.82 3.14 0.00 -1.26 -4.60 105.19 107.32 3ihz n GLY 25 Ca 0.04 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 3ihz n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihz s GLU 26 N -1.29 3.43 0.69 1.61 2.02 0.72 -4.89 118.70 121.00 3ihz s GLU 26 Ca 0.00 1.10 -0.03 0.00 0.02 0.00 0.00 54.97 56.06 3ihz s GLU 26 Cb 0.00 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.26 3ihz s GLU 26 CO 0.00 -0.71 0.96 0.20 0.02 0.00 0.00 175.26 175.73 3ihz s GLY 27 N -3.03 1.76 0.00 -1.39 0.00 -1.26 -4.56 107.32 98.84 3ihz s GLY 27 Ca 0.61 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3ihz s GLY 27 CO 0.38 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 173.20 3ihz n GLY 28 N -2.79 1.51 0.25 0.20 0.00 -1.26 -4.49 105.19 98.61 3ihz n GLY 28 Ca 0.11 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.60 3ihz n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ihz h GLU 29 N 0.00 0.00 0.00 1.61 4.39 -1.95 -1.44 114.58 117.19 3ihz h GLU 29 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ihz h GLU 29 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ihz h GLU 29 CO 0.00 0.14 0.00 -0.85 -1.16 0.00 0.00 179.01 177.14 3ihz n GLU 30 N -3.69 0.34 -0.12 2.33 0.00 -1.26 -2.42 120.64 115.82 3ihz n GLU 30 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 57.16 57.29 3ihz n GLU 30 Cb 0.26 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.32 3ihz n GLU 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3ihz n ASN 31 N -1.21 2.63 -4.49 -1.84 3.02 -0.54 -4.94 115.26 107.88 3ihz n ASN 31 Ca 0.10 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.48 3ihz n ASN 31 Cb 0.12 -0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 3ihz n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ihz s ALA 32 N -0.98 2.86 0.62 5.41 0.00 -1.01 -0.46 121.76 128.20 3ihz s ALA 32 Ca 0.20 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 3ihz s ALA 32 Cb 0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3ihz s ALA 32 CO 0.15 0.37 1.04 -1.25 0.00 0.00 0.00 175.76 176.07 3ihz s PRO 33 N -0.12 3.35 0.27 0.00 0.04 -1.26 -5.02 135.00 132.26 3ihz s PRO 33 Ca 0.01 1.01 0.11 0.00 0.04 0.00 0.00 61.00 62.17 3ihz s PRO 33 Cb -0.13 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3ihz s PRO 33 CO 0.03 -0.77 -0.13 0.15 0.04 0.00 0.00 177.00 176.32 3ihz s LYS 34 N -4.54 1.91 0.03 4.56 1.02 -1.26 -4.95 119.74 116.51 3ihz s LYS 34 Ca 0.60 -1.63 -0.38 0.00 0.02 0.00 0.00 55.97 54.58 3ihz s LYS 34 Cb -0.14 -1.92 -0.17 0.00 -0.52 0.00 0.00 37.83 35.08 3ihz s LYS 34 CO 0.44 0.34 1.33 1.17 -0.92 0.00 0.00 175.35 177.72 3ihz n LYS 35 N -0.72 0.93 0.00 1.68 4.81 -1.26 -1.27 118.16 122.34 3ihz n LYS 35 Ca -0.06 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3ihz n LYS 35 Cb 0.60 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.69 3ihz n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ihz n GLY 36 N 2.50 2.38 3.75 3.14 0.00 0.34 -5.00 105.19 112.30 3ihz n GLY 36 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3ihz n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ihz s ASN 37 N -1.88 4.93 -0.04 1.61 0.02 -0.40 -4.56 114.94 114.61 3ihz s ASN 37 Ca 0.00 2.40 -0.28 0.00 -1.02 0.00 0.00 52.86 53.96 3ihz s ASN 37 Cb 0.00 -2.60 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 3ihz s ASN 37 CO 0.00 -1.77 0.93 -0.70 0.02 0.00 0.00 177.10 175.57 3ihz s GLU 38 N -3.47 4.49 0.15 -0.60 2.12 -0.34 -0.80 118.70 120.25 3ihz s GLU 38 Ca 0.77 1.30 0.08 0.00 0.36 0.00 0.00 54.97 57.48 3ihz s GLU 38 Cb -0.31 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 3ihz s GLU 38 CO 0.36 -0.10 -0.07 0.14 -0.54 0.00 0.00 175.26 175.06 3ihz s VAL 39 N 1.25 3.41 -0.14 3.70 -7.23 0.56 -1.27 120.40 120.68 3ihz s VAL 39 Ca 0.48 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 3ihz s VAL 39 Cb -0.20 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.09 3ihz s VAL 39 CO 0.23 -0.04 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.88 3ihz s THR 40 N -1.55 2.01 0.15 5.32 2.01 -0.13 -2.10 115.64 121.35 3ihz s THR 40 Ca 0.25 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.35 3ihz s THR 40 Cb -0.10 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3ihz s THR 40 CO 0.16 0.54 -0.11 0.68 -0.69 0.00 0.00 174.62 175.20 3ihz s VAL 41 N 0.87 1.24 0.01 3.82 -7.23 0.10 -0.82 120.40 118.40 3ihz s VAL 41 Ca -0.06 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3ihz s VAL 41 Cb -0.15 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 3ihz s VAL 41 CO -0.03 -0.71 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.00 3ihz s HIS 42 N -3.21 2.93 0.07 2.82 3.76 -0.57 -0.44 115.29 120.64 3ihz s HIS 42 Ca 0.17 -0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 54.97 3ihz s HIS 42 Cb 0.02 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.10 3ihz s HIS 42 CO 0.01 0.40 0.20 1.52 -0.85 0.00 0.00 174.74 176.03 3ihz s TYR 43 N -1.04 0.10 -0.07 1.40 -0.85 -1.26 -0.37 117.35 115.25 3ihz s TYR 43 Ca 0.18 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.29 3ihz s TYR 43 Cb -0.11 -0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.22 3ihz s TYR 43 CO 0.09 -0.50 -0.02 0.08 -1.52 0.00 0.00 175.55 173.68 3ihz s VAL 44 N -3.31 0.47 -0.14 -3.49 1.01 -0.43 -1.44 120.40 113.07 3ihz s VAL 44 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3ihz s VAL 44 Cb 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3ihz s VAL 44 CO -0.08 0.26 -0.06 -0.83 0.00 0.00 0.00 175.10 174.40 3ihz s GLY 45 N 1.73 1.68 0.08 4.51 0.00 0.58 -1.08 107.32 114.83 3ihz s GLY 45 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3ihz s GLY 45 CO -0.05 -0.14 -0.05 -1.59 0.00 0.00 0.00 173.10 171.28 3ihz s LYS 46 N 0.27 0.76 0.19 2.90 -2.85 0.10 -0.91 119.74 120.21 3ihz s LYS 46 Ca -0.04 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.33 3ihz s LYS 46 Cb -0.14 -0.06 -0.08 0.00 -2.06 0.00 0.00 37.83 35.49 3ihz s LYS 46 CO 0.03 -0.05 0.97 -0.51 0.10 0.00 0.00 175.35 175.89 3ihz s LEU 47 N -3.00 4.58 0.20 2.77 1.43 -0.48 -0.65 118.68 123.52 3ihz s LEU 47 Ca 0.11 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 3ihz s LEU 47 Cb 0.06 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.81 3ihz s LEU 47 CO -0.06 0.03 1.81 -0.08 0.23 0.00 0.00 176.35 178.28 3ihz h GLU 48 N 4.73 0.99 -0.30 1.70 4.81 -1.63 0.45 114.58 125.34 3ihz h GLU 48 Ca -0.44 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.56 3ihz h GLU 48 Cb 1.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3ihz h GLU 48 CO 0.70 0.74 -0.25 0.66 -0.73 0.00 0.00 179.01 180.13 3ihz h SER 49 N 0.98 0.74 0.00 1.04 4.64 -1.92 -3.31 113.55 115.71 3ihz h SER 49 Ca 0.25 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ihz h SER 49 Cb 0.04 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3ihz h SER 49 CO -0.04 1.04 -1.43 -1.54 -0.87 0.00 0.00 176.83 173.99 3ihz n SER 50 N -4.29 1.20 0.00 4.97 3.41 -1.23 -4.99 113.62 112.69 3ihz n SER 50 Ca -0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3ihz n SER 50 Cb 0.45 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 3ihz n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihz n GLY 51 N 1.53 0.49 3.77 5.00 0.00 0.15 -5.00 105.19 111.13 3ihz n GLY 51 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3ihz n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihz s LYS 52 N -0.22 4.34 -0.05 1.61 1.02 -1.25 -4.67 119.74 120.52 3ihz s LYS 52 Ca 0.00 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.51 3ihz s LYS 52 Cb 0.00 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3ihz s LYS 52 CO 0.00 0.42 1.07 0.08 -0.92 0.00 0.00 175.35 176.00 3ihz s VAL 53 N -0.40 4.58 -0.21 3.17 1.01 -1.26 -1.38 120.40 125.92 3ihz s VAL 53 Ca 0.32 1.86 0.15 0.00 0.00 0.00 0.00 61.98 64.32 3ihz s VAL 53 Cb -0.19 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 3ihz s VAL 53 CO 0.19 0.05 0.42 2.22 0.00 0.00 0.00 175.10 177.98 3ihz n PHE 54 N 4.71 0.00 -3.64 5.22 1.16 -0.08 -4.97 117.46 119.85 3ihz n PHE 54 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.58 3ihz n PHE 54 Cb 0.48 -0.26 -0.07 0.00 -1.61 0.00 0.00 39.48 38.03 3ihz n PHE 54 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3ihz s ASP 55 N -3.41 -0.58 -0.20 5.98 2.15 -1.19 -5.03 116.67 114.38 3ihz s ASP 55 Ca -0.03 1.05 -0.08 0.00 0.43 0.00 0.00 52.55 53.92 3ihz s ASP 55 Cb 0.10 1.13 0.08 0.00 -0.30 0.00 0.00 42.92 43.93 3ihz s ASP 55 CO 0.64 -0.18 0.45 -0.55 -0.17 0.00 0.00 175.17 175.36 3ihz s SER 56 N 0.66 -0.43 0.37 -0.34 0.15 -1.26 -0.31 113.70 112.53 3ihz s SER 56 Ca -0.02 1.04 0.18 0.00 0.70 0.00 0.00 55.95 57.85 3ihz s SER 56 Cb -0.05 1.27 0.66 0.00 -1.71 0.00 0.00 66.02 66.19 3ihz s SER 56 CO -0.08 -0.22 1.73 0.77 1.20 0.00 0.00 173.24 176.64 3ihz h SER 57 N 7.81 0.00 -0.61 5.45 4.64 -1.55 -3.14 113.55 126.15 3ihz h SER 57 Ca -0.22 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 3ihz h SER 57 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3ihz h SER 57 CO 0.17 0.40 0.01 0.03 -0.87 0.00 0.00 176.83 176.56 3ihz h ARG 58 N 0.00 1.08 -0.39 4.77 3.08 -1.84 -1.17 114.38 119.92 3ihz h ARG 58 Ca -0.00 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 3ihz h ARG 58 Cb 0.89 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3ihz h ARG 58 CO 0.05 1.04 0.07 1.49 -1.07 0.00 0.00 179.97 181.55 3ihz h GLU 59 N 0.99 0.58 0.00 0.04 4.57 -1.87 -1.86 114.58 117.03 3ihz h GLU 59 Ca 0.18 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3ihz h GLU 59 Cb 0.55 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3ihz h GLU 59 CO 0.03 0.56 0.00 0.00 -1.18 0.00 0.00 179.01 178.42 3ihz h ARG 60 N 0.57 0.00 -0.81 1.92 3.08 -1.41 -3.47 114.38 114.25 3ihz h ARG 60 Ca 0.13 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.96 3ihz h ARG 60 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3ihz h ARG 60 CO 0.00 0.00 -0.22 -1.71 -1.07 0.00 0.00 179.97 176.97 3ihz n ASN 61 N -2.66 -4.04 -3.74 7.04 5.15 -0.48 -5.00 115.26 111.52 3ihz n ASN 61 Ca 0.04 0.18 -0.15 0.00 -0.60 0.00 0.00 54.58 54.05 3ihz n ASN 61 Cb 0.41 -2.73 -0.15 0.00 -0.53 0.00 0.00 39.78 36.78 3ihz n ASN 61 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ihz s VAL 62 N -2.44 -0.08 0.80 3.44 1.01 -1.14 -5.05 120.40 116.95 3ihz s VAL 62 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 3ihz s VAL 62 Cb 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.27 3ihz s VAL 62 CO 0.00 0.09 1.10 -2.16 0.00 0.00 0.00 175.10 174.13 3ihz s PRO 63 N 1.32 2.01 -0.13 2.72 0.04 -1.26 -4.70 135.00 135.00 3ihz s PRO 63 Ca -0.07 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 3ihz s PRO 63 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3ihz s PRO 63 CO -0.05 -1.82 0.03 0.12 0.04 0.00 0.00 177.00 175.32 3ihz s PHE 64 N -2.87 3.22 -0.01 0.56 5.36 0.41 -4.92 117.98 119.73 3ihz s PHE 64 Ca 0.62 0.12 0.05 0.00 -0.96 0.00 0.00 56.93 56.76 3ihz s PHE 64 Cb -0.18 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3ihz s PHE 64 CO 0.56 0.32 -0.17 0.15 -1.46 0.00 0.00 175.22 174.63 3ihz s LYS 65 N -0.29 2.31 0.21 10.12 1.02 -1.26 -0.72 119.74 131.13 3ihz s LYS 65 Ca 0.07 -0.82 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 3ihz s LYS 65 Cb -0.12 -2.28 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3ihz s LYS 65 CO 0.02 0.59 0.55 -0.59 -0.92 0.00 0.00 175.35 174.99 3ihz s PHE 66 N -0.80 -0.12 -0.17 3.18 -0.12 -0.89 -4.99 117.98 114.06 3ihz s PHE 66 Ca 0.13 -0.23 -0.17 0.00 -0.05 0.00 0.00 56.93 56.61 3ihz s PHE 66 Cb -0.11 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3ihz s PHE 66 CO 0.02 -0.96 0.43 -1.01 -0.05 0.00 0.00 175.22 173.66 3ihz s HIS 67 N -3.88 3.42 0.24 3.49 3.76 -1.26 -0.33 115.29 120.74 3ihz s HIS 67 Ca 0.10 0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 55.43 3ihz s HIS 67 Cb -0.02 -2.54 -0.09 0.00 1.11 0.00 0.00 32.58 31.04 3ihz s HIS 67 CO -0.02 0.05 1.25 -1.17 -0.85 0.00 0.00 174.74 174.00 3ihz s LEU 68 N 1.10 4.45 0.00 0.89 2.96 0.02 -3.81 118.68 124.28 3ihz s LEU 68 Ca 0.22 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 3ihz s LEU 68 Cb -0.15 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3ihz s LEU 68 CO 0.08 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 3ihz n GLY 69 N 1.73 0.46 0.42 7.98 0.00 -1.26 -0.51 105.19 114.01 3ihz n GLY 69 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.16 3ihz n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ihz n GLN 70 N -2.87 1.60 -1.39 1.61 1.13 -1.25 -4.86 117.38 111.35 3ihz n GLN 70 Ca 0.00 -0.96 -0.10 0.00 -1.94 0.00 0.00 57.00 54.00 3ihz n GLN 70 Cb 0.00 -1.26 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 3ihz n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ihz n GLY 71 N 1.04 1.02 0.11 1.08 0.00 -1.26 -4.90 105.19 102.29 3ihz n GLY 71 Ca 0.07 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3ihz n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ihz n GLU 72 N -2.63 0.21 -4.34 1.61 1.02 -1.26 -4.84 120.64 110.41 3ihz n GLU 72 Ca -0.10 0.32 -0.19 0.00 -0.02 0.00 0.00 57.16 57.17 3ihz n GLU 72 Cb 0.36 -1.82 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 3ihz n GLU 72 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ihz s VAL 73 N -3.21 0.39 0.66 2.62 -7.23 -1.26 -5.07 120.40 107.30 3ihz s VAL 73 Ca 0.07 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 3ihz s VAL 73 Cb 0.11 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.52 3ihz s VAL 73 CO 0.48 0.00 1.23 0.27 -0.31 0.00 0.00 175.10 176.77 3ihz s ILE 74 N -3.61 2.37 0.23 -0.62 -4.36 -1.26 -4.77 121.20 109.19 3ihz s ILE 74 Ca 0.35 0.21 -0.06 0.00 -0.26 0.00 0.00 60.65 60.90 3ihz s ILE 74 Cb 0.05 -2.96 0.20 0.00 1.25 0.00 0.00 42.46 41.00 3ihz s ILE 74 CO 0.17 -0.07 1.81 0.11 0.24 0.00 0.00 174.94 177.20 3ihz h LYS 75 N 0.35 0.75 0.00 0.37 1.57 -1.84 -0.51 116.57 117.26 3ihz h LYS 75 Ca -0.49 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3ihz h LYS 75 Cb 1.31 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3ihz h LYS 75 CO 0.53 0.50 -0.02 0.78 -0.57 0.00 0.00 179.45 180.67 3ihz h GLY 76 N 0.77 0.00 0.71 3.86 0.00 -1.39 -1.76 103.07 105.26 3ihz h GLY 76 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 3ihz h GLY 76 CO -0.23 0.00 -0.20 1.49 0.00 0.00 0.00 176.54 177.60 3ihz h TRP 77 N 0.00 0.42 -0.87 5.60 4.06 -1.33 0.91 115.95 124.73 3ihz h TRP 77 Ca -0.00 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.83 3ihz h TRP 77 Cb 0.03 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.06 3ihz h TRP 77 CO 0.00 0.81 0.57 -0.44 -3.56 0.00 0.00 178.44 175.82 3ihz h ASP 78 N -0.09 0.95 -0.13 -3.49 3.32 -1.12 -0.36 116.42 115.50 3ihz h ASP 78 Ca 0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3ihz h ASP 78 Cb 0.78 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3ihz h ASP 78 CO 0.05 0.66 -0.05 0.40 -1.72 0.00 0.00 179.24 178.58 3ihz h ILE 79 N 1.11 1.31 0.03 0.35 2.04 -1.34 -2.54 117.51 118.46 3ihz h ILE 79 Ca 0.34 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3ihz h ILE 79 Cb -0.03 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3ihz h ILE 79 CO -0.11 0.30 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 3ihz h VAL 81 N -0.20 1.26 0.00 0.00 2.07 -1.13 -0.75 116.25 117.50 3ihz h VAL 81 Ca -0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3ihz h VAL 81 Cb 0.19 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3ihz h VAL 81 CO 0.01 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 177.93 3ihz h ALA 82 N 1.59 1.50 -0.00 1.67 0.00 -1.37 -1.91 119.26 120.75 3ihz h ALA 82 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ihz h ALA 82 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ihz h ALA 82 CO 0.05 0.03 -0.21 -1.13 0.00 0.00 0.00 179.25 177.99 3ihz n SER 83 N -3.85 0.54 -4.95 0.00 3.41 -0.29 -4.85 113.62 103.64 3ihz n SER 83 Ca -0.03 -0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 57.90 3ihz n SER 83 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3ihz n SER 83 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ihz s MET 84 N -2.65 3.21 0.31 4.33 -1.94 -0.72 -5.12 119.30 116.73 3ihz s MET 84 Ca 0.22 -0.41 0.06 0.00 -1.71 0.00 0.00 55.69 53.86 3ihz s MET 84 Cb 0.19 -2.58 -0.06 0.00 2.01 0.00 0.00 34.83 34.39 3ihz s MET 84 CO 0.54 -0.15 -0.03 0.95 -0.01 0.00 0.00 175.02 176.32 3ihz s THR 85 N -2.50 1.66 0.09 2.05 -4.23 -1.26 -4.27 115.64 107.18 3ihz s THR 85 Ca 0.46 -2.09 -0.36 0.00 -1.18 0.00 0.00 61.69 58.52 3ihz s THR 85 Cb -0.10 -2.62 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 3ihz s THR 85 CO 0.38 -0.18 1.48 1.17 -0.54 0.00 0.00 174.62 176.93 3ihz n LYS 86 N -0.68 1.60 -0.96 3.99 4.81 0.39 -0.84 118.16 126.47 3ihz n LYS 86 Ca -0.05 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3ihz n LYS 86 Cb 0.65 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3ihz n LYS 86 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3ihz n ASN 87 N 3.23 -0.19 -4.77 3.14 5.15 0.77 -0.20 115.26 122.39 3ihz n ASN 87 Ca 0.18 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.76 3ihz n ASN 87 Cb 0.23 -0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.43 3ihz n ASN 87 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ihz s GLU 88 N -0.04 4.33 -0.12 1.20 2.12 -0.02 -4.52 118.70 121.64 3ihz s GLU 88 Ca 0.00 2.22 0.03 0.00 0.36 0.00 0.00 54.97 57.59 3ihz s GLU 88 Cb 0.00 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 31.34 3ihz s GLU 88 CO 0.00 -0.21 -0.23 0.21 -0.54 0.00 0.00 175.26 174.49 3ihz s LYS 89 N -1.82 3.03 0.23 4.30 2.20 -0.45 -1.20 119.74 126.02 3ihz s LYS 89 Ca 0.49 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 3ihz s LYS 89 Cb -0.40 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3ihz s LYS 89 CO 0.53 0.08 0.02 0.00 -0.36 0.00 0.00 175.35 175.62 3ihz s SER 91 N -3.29 3.44 -0.08 0.00 0.15 0.21 -0.84 113.70 113.29 3ihz s SER 91 Ca 0.29 -0.68 0.03 0.00 0.70 0.00 0.00 55.95 56.30 3ihz s SER 91 Cb 0.06 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 3ihz s SER 91 CO 0.09 -0.02 -0.18 0.54 1.20 0.00 0.00 173.24 174.86 3ihz s VAL 92 N 1.30 2.63 -0.25 4.45 0.11 0.15 -0.23 120.40 128.56 3ihz s VAL 92 Ca 0.04 -0.84 -0.10 0.00 -2.93 0.00 0.00 61.98 58.15 3ihz s VAL 92 Cb -0.14 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 3ihz s VAL 92 CO -0.11 0.56 0.15 -0.60 -3.33 0.00 0.00 175.10 171.77 3ihz s ARG 93 N -0.08 3.92 -0.20 1.54 3.52 -0.18 -1.21 118.95 126.26 3ihz s ARG 93 Ca -0.04 -0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 3ihz s ARG 93 Cb -0.14 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3ihz s ARG 93 CO 0.04 -0.08 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.83 3ihz s LEU 94 N 1.43 2.58 0.79 -0.88 1.43 0.55 -1.75 118.68 122.83 3ihz s LEU 94 Ca 0.07 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3ihz s LEU 94 Cb -0.15 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3ihz s LEU 94 CO 0.07 -0.02 1.13 -0.67 0.23 0.00 0.00 176.35 177.09 3ihz n ASP 95 N 4.71 0.85 0.30 2.29 2.03 -0.03 -1.26 116.55 125.44 3ihz n ASP 95 Ca -0.19 0.60 0.16 0.00 0.52 0.00 0.00 54.79 55.87 3ihz n ASP 95 Cb 0.50 -1.48 0.91 0.00 -0.72 0.00 0.00 41.12 40.33 3ihz n ASP 95 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ihz h SER 96 N -0.75 0.00 -0.04 1.67 4.64 -1.82 0.01 113.55 117.26 3ihz h SER 96 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3ihz h SER 96 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ihz h SER 96 CO 0.46 0.03 0.07 0.50 -0.87 0.00 0.00 176.83 177.01 3ihz h LYS 97 N 0.00 0.00 -0.28 4.77 3.11 -1.89 0.13 116.57 122.41 3ihz h LYS 97 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3ihz h LYS 97 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 3ihz h LYS 97 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.30 3ihz n TYR 98 N -3.59 0.52 0.00 1.91 4.02 -0.02 -4.85 117.16 115.15 3ihz n TYR 98 Ca -0.02 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.26 3ihz n TYR 98 Cb 0.15 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3ihz n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ihz n GLY 99 N 0.08 2.75 0.98 2.72 0.00 -0.23 -0.96 105.19 110.52 3ihz n GLY 99 Ca 0.13 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.03 3ihz n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ihz n TYR 100 N 0.00 0.58 -4.82 1.61 4.01 -1.18 -4.72 117.16 112.64 3ihz n TYR 100 Ca 0.00 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 3ihz n TYR 100 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3ihz n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ihz n GLY 101 N 1.15 0.76 0.15 2.72 0.00 0.27 -1.63 105.19 108.61 3ihz n GLY 101 Ca 0.17 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.49 3ihz n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ihz h GLU 102 N 0.00 0.00 -0.05 1.61 5.08 -1.93 0.10 114.58 119.39 3ihz h GLU 102 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3ihz h GLU 102 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ihz h GLU 102 CO 0.00 0.55 -0.90 0.93 -1.00 0.00 0.00 179.01 178.59 3ihz h GLU 103 N 0.00 0.58 0.00 2.33 3.07 -1.92 -3.36 114.58 115.29 3ihz h GLU 103 Ca -0.01 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.29 3ihz h GLU 103 Cb 1.08 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3ihz h GLU 103 CO 0.07 1.18 0.00 0.41 -1.40 0.00 0.00 179.01 179.28 3ihz n GLY 104 N 0.87 -0.12 3.12 -3.84 0.00 -0.64 -4.02 105.19 100.56 3ihz n GLY 104 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 44.96 3ihz n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihz n GLY 106 N 5.41 -2.14 0.25 0.00 0.00 -1.26 -3.13 105.19 104.32 3ihz n GLY 106 Ca 0.03 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.72 3ihz n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ihz h GLU 107 N -0.41 0.17 0.00 1.61 4.81 -2.00 -2.58 114.58 116.17 3ihz h GLU 107 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ihz h GLU 107 Cb 0.40 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ihz h GLU 107 CO 0.01 0.23 0.00 0.43 -0.73 0.00 0.00 179.01 178.96 3ihz n SER 108 N -4.38 0.27 -3.77 1.04 7.64 -1.26 -3.92 113.62 109.24 3ihz n SER 108 Ca -0.01 0.54 -0.29 0.00 1.01 0.00 0.00 58.87 60.11 3ihz n SER 108 Cb 0.19 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.65 3ihz n SER 108 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ihz s ILE 109 N -3.06 1.83 0.77 0.44 1.01 -0.97 -4.74 121.20 116.47 3ihz s ILE 109 Ca 0.11 -3.00 -0.13 0.00 0.00 0.00 0.00 60.65 57.63 3ihz s ILE 109 Cb 0.14 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.42 3ihz s ILE 109 CO 0.48 -0.91 1.14 -2.84 0.00 0.00 0.00 174.94 172.80 3ihz s PRO 110 N -0.09 2.06 0.46 2.79 0.02 -1.25 -0.38 135.00 138.59 3ihz s PRO 110 Ca 0.20 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 3ihz s PRO 110 Cb -0.20 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 3ihz s PRO 110 CO -0.04 -1.84 1.14 0.41 -0.33 0.00 0.00 177.00 176.34 3ihz n GLY 111 N -0.30 0.15 2.45 0.52 0.00 -1.26 -2.83 105.19 103.93 3ihz n GLY 111 Ca 0.11 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 3ihz n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ihz n ASN 112 N 0.08 -4.89 -4.73 1.61 3.02 0.35 -4.91 115.26 105.78 3ihz n ASN 112 Ca 0.09 0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 54.61 3ihz n ASN 112 Cb 0.41 -3.78 -0.04 0.00 -0.61 0.00 0.00 39.78 35.76 3ihz n ASN 112 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ihz s SER 113 N -2.83 7.30 0.10 6.41 0.01 -1.13 -4.64 113.70 118.91 3ihz s SER 113 Ca 0.00 1.93 -0.30 0.00 1.31 0.00 0.00 55.95 58.89 3ihz s SER 113 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 3ihz s SER 113 CO 0.00 -0.25 1.11 -0.69 0.41 0.00 0.00 173.24 173.82 3ihz s VAL 114 N 0.33 4.15 -0.00 3.43 1.01 -1.26 -3.51 120.40 124.54 3ihz s VAL 114 Ca 0.51 1.66 0.02 0.00 0.00 0.00 0.00 61.98 64.18 3ihz s VAL 114 Cb -0.26 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3ihz s VAL 114 CO 0.31 0.19 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 3ihz s LEU 115 N 0.46 3.34 -0.18 3.92 1.43 -0.39 -1.63 118.68 125.63 3ihz s LEU 115 Ca 0.53 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3ihz s LEU 115 Cb -0.28 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.05 3ihz s LEU 115 CO 0.31 0.28 -0.19 -0.63 0.23 0.00 0.00 176.35 176.36 3ihz s ILE 116 N -1.03 2.17 -0.12 -0.59 -1.09 0.17 -0.33 121.20 120.37 3ihz s ILE 116 Ca 0.18 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 3ihz s ILE 116 Cb -0.11 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 3ihz s ILE 116 CO 0.09 0.53 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.81 3ihz s PHE 117 N 1.23 2.74 -0.28 3.97 0.08 -0.35 -0.72 117.98 124.65 3ihz s PHE 117 Ca 0.03 -0.73 -0.20 0.00 0.12 0.00 0.00 56.93 56.14 3ihz s PHE 117 Cb -0.13 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3ihz s PHE 117 CO -0.11 -0.25 0.64 -2.00 -0.10 0.00 0.00 175.22 173.40 3ihz s GLU 118 N 0.31 4.02 -0.09 0.44 2.12 -0.24 -0.67 118.70 124.59 3ihz s GLU 118 Ca -0.12 0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.69 3ihz s GLU 118 Cb -0.16 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3ihz s GLU 118 CO 0.06 -0.49 -0.21 0.42 -0.54 0.00 0.00 175.26 174.50 3ihz s ILE 119 N 2.56 1.85 -0.22 -3.70 1.01 -0.02 -1.32 121.20 121.37 3ihz s ILE 119 Ca 0.26 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3ihz s ILE 119 Cb -0.15 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.72 3ihz s ILE 119 CO 0.10 0.51 -0.09 -0.70 0.00 0.00 0.00 174.94 174.77 3ihz s GLU 120 N 0.35 3.17 -0.51 2.79 2.12 0.50 -0.66 118.70 126.45 3ihz s GLU 120 Ca -0.16 -0.75 -0.26 0.00 0.36 0.00 0.00 54.97 54.16 3ihz s GLU 120 Cb -0.17 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.36 3ihz s GLU 120 CO 0.07 -0.24 1.00 -1.17 -0.54 0.00 0.00 175.26 174.38 3ihz s LEU 121 N 1.40 3.91 -0.15 2.70 2.96 -0.34 -1.51 118.68 127.64 3ihz s LEU 121 Ca 0.04 -0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.70 3ihz s LEU 121 Cb -0.14 -3.10 -0.25 0.00 0.50 0.00 0.00 46.19 43.20 3ihz s LEU 121 CO -0.06 -1.21 0.59 0.40 -1.32 0.00 0.00 176.35 174.75 3ihz h ILE 122 N 6.09 1.42 -2.67 6.68 2.04 -1.29 0.22 117.51 129.99 3ihz h ILE 122 Ca -0.25 -2.32 0.09 0.00 1.00 0.00 0.00 64.86 63.39 3ihz h ILE 122 Cb 1.07 2.95 -0.09 0.00 -0.74 0.00 0.00 36.82 40.01 3ihz h ILE 122 CO 1.09 0.54 0.35 -0.94 0.00 0.00 0.00 178.15 179.19 3ihz s SER 123 N -6.57 -0.31 0.16 1.72 1.04 -1.14 -4.43 113.70 104.16 3ihz s SER 123 Ca -0.22 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 3ihz s SER 123 Cb 0.01 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 3ihz s SER 123 CO 0.68 -1.02 0.30 0.72 0.98 0.00 0.00 173.24 174.91 3ihz s PHE 124 N -3.55 0.31 0.18 5.02 -0.71 -1.26 -0.95 117.98 117.01 3ihz s PHE 124 Ca 0.09 -0.67 -0.08 0.00 -1.04 0.00 0.00 56.93 55.22 3ihz s PHE 124 Cb -0.03 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 3ihz s PHE 124 CO -0.01 -0.72 0.28 -0.98 -1.34 0.00 0.00 175.22 172.45 3ihz s ARG 125 N -3.94 1.20 0.00 1.99 1.70 -0.40 -5.01 118.95 114.49 3ihz s ARG 125 Ca 0.15 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 3ihz s ARG 125 Cb 0.03 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3ihz s ARG 125 CO -0.02 -0.44 0.47 0.39 -1.08 0.00 0.00 175.30 174.63