#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1z h ILE 4 N 0.00 1.18 -0.52 2.12 6.09 -1.93 -1.90 117.51 122.55 1u1z h ILE 4 Ca 0.00 -0.40 -0.12 0.00 -1.37 0.00 0.00 64.86 62.98 1u1z h ILE 4 Cb 0.00 0.26 -0.02 0.00 0.47 0.00 0.00 36.82 37.53 1u1z h ILE 4 CO 0.00 0.19 -0.14 0.78 -3.07 0.00 0.00 178.15 175.91 1u1z h ASN 5 N 0.90 1.02 -0.26 2.19 2.35 -1.99 -1.78 115.58 118.02 1u1z h ASN 5 Ca 0.24 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1u1z h ASN 5 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1u1z h ASN 5 CO -0.05 1.16 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.55 1u1z h GLU 6 N 0.88 0.46 -0.73 0.81 5.08 -1.97 -2.91 114.58 116.18 1u1z h GLU 6 Ca 0.13 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1u1z h GLU 6 Cb 0.72 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 1u1z h GLU 6 CO 0.05 0.63 0.28 0.82 -1.00 0.00 0.00 179.01 179.79 1u1z h ILE 7 N 0.23 0.65 0.00 3.13 2.04 -1.19 0.22 117.51 122.59 1u1z h ILE 7 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1u1z h ILE 7 Cb 0.43 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1u1z h ILE 7 CO 0.01 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.78 1u1z n ARG 8 N -5.02 0.60 0.03 2.37 1.74 -0.68 -1.36 116.66 114.33 1u1z n ARG 8 Ca 0.14 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 1u1z n ARG 8 Cb 0.40 -1.31 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 1u1z n ARG 8 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u1z n GLU 9 N -0.81 0.63 -0.11 5.56 1.02 0.75 -4.43 120.64 123.25 1u1z n GLU 9 Ca 0.09 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.17 1u1z n GLU 9 Cb 0.04 -1.73 -0.12 0.00 -0.02 0.00 0.00 31.44 29.62 1u1z n GLU 9 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1u1z n TYR 10 N -2.70 0.00 -3.86 -0.32 4.01 -0.46 -4.59 117.16 109.25 1u1z n TYR 10 Ca -0.08 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.30 1u1z n TYR 10 Cb 0.74 -0.90 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 1u1z n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1u1z s LEU 11 N -6.17 4.21 0.00 7.72 1.43 -0.58 -4.94 118.68 120.34 1u1z s LEU 11 Ca -0.27 0.31 0.28 0.00 -1.03 0.00 0.00 54.13 53.42 1u1z s LEU 11 Cb 0.08 -2.05 1.13 0.00 0.03 0.00 0.00 46.19 45.38 1u1z s LEU 11 CO 0.58 0.29 1.81 -0.81 0.23 0.00 0.00 176.35 178.45 1u1z n PRO 12 N 2.80 0.44 -1.70 1.29 -0.04 -1.26 -4.58 135.00 131.95 1u1z n PRO 12 Ca -0.18 -0.14 -0.39 0.00 -0.04 0.00 0.00 63.50 62.75 1u1z n PRO 12 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1u1z n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1u1z n HIS 13 N -1.15 1.84 -4.20 0.54 8.25 -1.26 -5.03 115.22 114.21 1u1z n HIS 13 Ca 0.12 0.46 -0.17 0.00 -0.26 0.00 0.00 57.72 57.86 1u1z n HIS 13 Cb 0.30 -2.30 -0.06 0.00 1.12 0.00 0.00 29.99 29.04 1u1z n HIS 13 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1u1z n ARG 14 N -0.73 0.49 -1.76 -0.41 5.12 -1.26 -4.77 116.66 113.33 1u1z n ARG 14 Ca 0.10 -3.07 -0.41 0.00 -1.93 0.00 0.00 57.85 52.54 1u1z n ARG 14 Cb 0.44 2.65 -0.01 0.00 -1.16 0.00 0.00 32.46 34.37 1u1z n ARG 14 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1u1z s TYR 15 N -3.19 2.70 -0.76 -1.55 6.14 -1.26 0.97 117.35 120.39 1u1z s TYR 15 Ca 0.35 0.82 -0.01 0.00 0.64 0.00 0.00 57.07 58.87 1u1z s TYR 15 Cb 0.01 -4.09 0.39 0.00 0.42 0.00 0.00 41.96 38.69 1u1z s TYR 15 CO 0.25 -3.58 1.95 -0.35 0.64 0.00 0.00 175.55 174.46 1u1z n PRO 16 N 1.88 2.80 -1.80 4.97 -0.04 -1.26 -4.98 135.00 136.58 1u1z n PRO 16 Ca 0.07 -3.53 -0.00 0.00 -0.04 0.00 0.00 63.50 59.99 1u1z n PRO 16 Cb 0.37 -2.27 0.06 0.00 -0.04 0.00 0.00 33.50 31.62 1u1z n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u1z n PHE 17 N -0.65 0.72 -3.79 0.54 3.01 0.27 -5.00 117.46 112.56 1u1z n PHE 17 Ca 0.55 -1.38 -0.37 0.00 1.01 0.00 0.00 57.45 57.27 1u1z n PHE 17 Cb 0.40 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 1u1z n PHE 17 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1u1z s LEU 18 N -2.15 4.11 -0.33 4.37 2.96 -1.19 -4.49 118.68 121.97 1u1z s LEU 18 Ca 0.35 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.24 1u1z s LEU 18 Cb 0.37 -1.83 0.47 0.00 0.50 0.00 0.00 46.19 45.70 1u1z s LEU 18 CO -0.09 -0.28 1.41 0.18 -1.32 0.00 0.00 176.35 176.25 1u1z n LEU 19 N 4.78 4.61 -3.78 -0.68 4.77 -1.26 -4.87 117.00 120.56 1u1z n LEU 19 Ca -0.13 -4.19 -0.28 0.00 -0.03 0.00 0.00 56.01 51.38 1u1z n LEU 19 Cb 0.45 -0.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1u1z n LEU 19 CO 0.30 1.59 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.89 1u1z s VAL 20 N -3.88 0.75 -0.20 4.08 1.01 -1.26 -4.60 120.40 116.30 1u1z s VAL 20 Ca 0.48 -0.72 0.21 0.00 0.00 0.00 0.00 61.98 61.95 1u1z s VAL 20 Cb 0.42 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1u1z s VAL 20 CO -0.00 -0.20 0.97 0.47 0.00 0.00 0.00 175.10 176.34 1u1z n ASP 21 N 4.96 0.85 -3.63 3.32 8.00 -0.37 -4.95 116.55 124.73 1u1z n ASP 21 Ca -0.09 0.34 -0.08 0.00 0.71 0.00 0.00 54.79 55.67 1u1z n ASP 21 Cb 0.46 0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 1u1z n ASP 21 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1u1z s ARG 22 N -3.23 0.41 -0.40 -1.24 3.52 -0.99 -4.06 118.95 112.96 1u1z s ARG 22 Ca -0.01 0.40 -0.09 0.00 -0.13 0.00 0.00 55.73 55.90 1u1z s ARG 22 Cb 0.09 0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.75 1u1z s ARG 22 CO 0.80 -0.07 0.22 0.08 -0.81 0.00 0.00 175.30 175.52 1u1z s VAL 23 N -0.07 4.20 0.15 7.11 1.01 -1.26 -0.71 120.40 130.82 1u1z s VAL 23 Ca 0.03 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1u1z s VAL 23 Cb -0.04 -3.50 -0.18 0.00 0.00 0.00 0.00 36.38 32.66 1u1z s VAL 23 CO -0.07 -0.41 1.33 -0.37 0.00 0.00 0.00 175.10 175.58 1u1z h VAL 24 N 6.06 1.54 -2.92 2.92 -1.51 -1.55 -3.45 116.25 117.35 1u1z h VAL 24 Ca -0.23 -2.84 -0.17 0.00 -1.23 0.00 0.00 66.70 62.23 1u1z h VAL 24 Cb 1.09 2.61 -0.29 0.00 -2.13 0.00 0.00 31.29 32.57 1u1z h VAL 24 CO 0.71 0.82 -0.43 -0.70 -1.23 0.00 0.00 177.57 176.75 1u1z s GLU 25 N -3.03 0.27 -0.39 5.19 2.12 -0.92 -5.03 118.70 116.91 1u1z s GLU 25 Ca -0.02 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.93 1u1z s GLU 25 Cb 0.10 -0.08 0.11 0.00 0.26 0.00 0.00 34.13 34.52 1u1z s GLU 25 CO 0.83 -0.15 0.14 -1.17 -0.54 0.00 0.00 175.26 174.37 1u1z s LEU 26 N 1.23 3.59 -0.94 2.70 2.96 -1.26 -1.06 118.68 125.89 1u1z s LEU 26 Ca -0.09 -2.27 -0.14 0.00 -0.22 0.00 0.00 54.13 51.41 1u1z s LEU 26 Cb -0.09 -1.31 0.21 0.00 0.50 0.00 0.00 46.19 45.50 1u1z s LEU 26 CO -0.09 -0.34 0.96 -0.62 -1.32 0.00 0.00 176.35 174.94 1u1z s ASP 27 N 0.76 6.90 0.18 3.68 2.15 -0.71 -4.90 116.67 124.72 1u1z s ASP 27 Ca 0.13 -2.81 -0.11 0.00 0.43 0.00 0.00 52.55 50.19 1u1z s ASP 27 Cb -0.21 -2.26 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 1u1z s ASP 27 CO -0.09 -0.61 1.74 0.16 -0.17 0.00 0.00 175.17 176.20 1u1z h ILE 28 N 4.70 1.23 0.00 4.11 3.07 -1.96 -0.62 117.51 128.04 1u1z h ILE 28 Ca 0.15 -0.72 -0.00 0.00 1.55 0.00 0.00 64.86 65.83 1u1z h ILE 28 Cb 0.99 0.55 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1u1z h ILE 28 CO 0.91 0.28 -0.02 -0.33 -1.05 0.00 0.00 178.15 177.94 1u1z h GLU 29 N 0.87 0.00 -0.23 0.16 5.08 -1.95 -0.00 114.58 118.51 1u1z h GLU 29 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1u1z h GLU 29 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1u1z h GLU 29 CO -0.02 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 1u1z n GLY 30 N -1.47 0.95 3.33 -3.84 0.00 -0.85 -4.95 105.19 98.35 1u1z n GLY 30 Ca -0.03 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1u1z n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u1z n LYS 31 N 0.94 -3.16 -4.12 1.61 4.76 -0.02 -4.77 118.16 113.40 1u1z n LYS 31 Ca 0.17 0.44 -0.12 0.00 -2.87 0.00 0.00 58.31 55.93 1u1z n LYS 31 Cb 0.48 -5.12 -0.11 0.00 -1.84 0.00 0.00 35.03 28.45 1u1z n LYS 31 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1u1z s ARG 32 N -5.96 0.70 0.08 1.97 1.70 -0.76 -0.17 118.95 116.51 1u1z s ARG 32 Ca 0.38 -1.08 0.03 0.00 -0.47 0.00 0.00 55.73 54.59 1u1z s ARG 32 Cb -0.20 -0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 1u1z s ARG 32 CO 0.46 0.01 -0.10 -1.50 -1.08 0.00 0.00 175.30 173.10 1u1z s ILE 33 N -2.62 0.83 -0.07 4.99 2.07 -0.22 -1.74 121.20 124.44 1u1z s ILE 33 Ca 0.02 -1.46 -0.01 0.00 -1.41 0.00 0.00 60.65 57.79 1u1z s ILE 33 Cb -0.02 -1.14 0.03 0.00 0.13 0.00 0.00 42.46 41.46 1u1z s ILE 33 CO -0.02 -0.49 -0.02 -0.13 -1.91 0.00 0.00 174.94 172.37 1u1z s ARG 34 N -2.39 0.80 0.35 3.50 0.52 -0.23 -2.12 118.95 119.38 1u1z s ARG 34 Ca 0.01 0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 1u1z s ARG 34 Cb -0.05 -1.04 -0.01 0.00 0.52 0.00 0.00 34.95 34.37 1u1z s ARG 34 CO -0.00 -0.25 0.38 0.00 0.02 0.00 0.00 175.30 175.45 1u1z s ALA 35 N 1.69 1.41 0.11 2.13 0.00 -0.03 -1.32 121.76 125.75 1u1z s ALA 35 Ca 0.01 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 49.99 1u1z s ALA 35 Cb -0.13 1.33 0.02 0.00 0.00 0.00 0.00 23.12 24.34 1u1z s ALA 35 CO -0.04 -0.72 0.30 1.52 0.00 0.00 0.00 175.76 176.81 1u1z s TYR 36 N -3.19 -0.04 -0.15 0.00 1.13 0.11 0.95 117.35 116.16 1u1z s TYR 36 Ca 0.36 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.69 1u1z s TYR 36 Cb 0.01 0.11 0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1u1z s TYR 36 CO 0.25 -0.63 -0.11 0.21 -2.51 0.00 0.00 175.55 172.77 1u1z s LYS 37 N -3.83 1.92 0.01 -3.49 2.36 0.45 -1.24 119.74 115.92 1u1z s LYS 37 Ca 0.04 -0.50 -0.30 0.00 -2.55 0.00 0.00 55.97 52.66 1u1z s LYS 37 Cb 0.03 -1.98 -0.05 0.00 -1.05 0.00 0.00 37.83 34.79 1u1z s LYS 37 CO -0.12 -0.30 1.27 -0.80 1.55 0.00 0.00 175.35 176.96 1u1z s ASN 38 N 1.56 6.99 -0.25 1.43 0.01 -1.26 -0.69 114.94 122.73 1u1z s ASN 38 Ca 0.04 2.00 -0.11 0.00 -0.71 0.00 0.00 52.86 54.07 1u1z s ASN 38 Cb -0.13 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 1u1z s ASN 38 CO -0.09 -0.59 0.20 -0.69 -1.51 0.00 0.00 177.10 174.42 1u1z s VAL 39 N 1.80 5.32 0.06 1.60 1.01 -0.58 -4.94 120.40 124.67 1u1z s VAL 39 Ca 0.60 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.87 1u1z s VAL 39 Cb -0.29 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1u1z s VAL 39 CO 0.26 0.30 -0.16 -0.55 0.00 0.00 0.00 175.10 174.95 1u1z s SER 40 N 1.30 1.86 0.57 3.32 0.15 -1.26 -0.39 113.70 119.25 1u1z s SER 40 Ca 0.09 -0.55 0.32 0.00 0.70 0.00 0.00 55.95 56.51 1u1z s SER 40 Cb -0.14 -0.10 1.71 0.00 -1.71 0.00 0.00 66.02 65.78 1u1z s SER 40 CO 0.07 0.01 2.15 -0.29 1.20 0.00 0.00 173.24 176.38 1u1z h ILE 41 N 4.36 0.36 -0.28 6.45 6.09 -1.96 -3.19 117.51 129.34 1u1z h ILE 41 Ca -0.41 -0.34 -0.24 0.00 -1.37 0.00 0.00 64.86 62.51 1u1z h ILE 41 Cb 1.18 1.24 -0.09 0.00 0.47 0.00 0.00 36.82 39.62 1u1z h ILE 41 CO 0.42 0.06 -0.09 -3.20 -3.07 0.00 0.00 178.15 172.26 1u1z n ASN 42 N -3.47 5.63 -4.27 2.19 5.15 -1.26 -4.82 115.26 114.40 1u1z n ASN 42 Ca -0.02 -2.68 -0.28 0.00 -0.60 0.00 0.00 54.58 51.01 1u1z n ASN 42 Cb 0.19 -1.31 -0.15 0.00 -0.53 0.00 0.00 39.78 37.98 1u1z n ASN 42 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1u1z s GLU 43 N 0.02 1.63 0.43 1.20 2.02 -1.21 -5.06 118.70 117.74 1u1z s GLU 43 Ca 0.52 -0.93 0.20 0.00 0.02 0.00 0.00 54.97 54.78 1u1z s GLU 43 Cb 0.28 -1.70 1.15 0.00 0.10 0.00 0.00 34.13 33.95 1u1z s GLU 43 CO -0.05 0.45 1.83 -1.00 0.02 0.00 0.00 175.26 176.50 1u1z h PRO 44 N 5.10 0.34 0.00 0.39 0.13 -1.93 -3.03 132.00 132.99 1u1z h PRO 44 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1u1z h PRO 44 Cb 1.15 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1u1z h PRO 44 CO 0.45 0.22 0.00 0.27 -0.23 0.00 0.00 178.00 178.71 1u1z h PHE 45 N 0.35 0.00 -0.25 1.56 -5.15 -1.97 -3.34 116.94 108.14 1u1z h PHE 45 Ca 0.51 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 58.22 1u1z h PHE 45 Cb 1.39 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.54 1u1z h PHE 45 CO -0.00 0.00 -0.12 0.74 -2.00 0.00 0.00 178.31 176.93 1u1z h PHE 46 N 0.00 0.44 0.00 6.09 0.05 -1.81 -2.24 116.94 119.47 1u1z h PHE 46 Ca 0.00 -0.06 -0.02 0.00 3.82 0.00 0.00 57.97 61.71 1u1z h PHE 46 Cb 0.84 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.66 1u1z h PHE 46 CO 0.00 0.53 -0.09 -0.91 -0.18 0.00 0.00 178.31 177.66 1u1z h ASN 47 N 0.39 0.00 -0.01 2.17 4.21 -1.78 -2.66 115.58 117.90 1u1z h ASN 47 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1u1z h ASN 47 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1u1z h ASN 47 CO 0.03 0.09 -0.73 0.61 -1.29 0.00 0.00 177.43 176.13 1u1z n GLY 48 N -1.14 -0.48 2.41 2.83 0.00 -0.97 -3.57 105.19 104.27 1u1z n GLY 48 Ca -0.03 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1u1z n GLY 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1u1z n HIS 49 N -0.79 -1.39 -4.25 1.61 -0.00 -0.88 -4.59 115.22 104.92 1u1z n HIS 49 Ca 0.06 -2.97 -0.14 0.00 -0.00 0.00 0.00 57.72 54.67 1u1z n HIS 49 Cb 0.39 0.37 -0.10 0.00 -0.00 0.00 0.00 29.99 30.65 1u1z n HIS 49 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1u1z s PHE 50 N -0.14 1.26 0.14 1.57 0.40 -0.47 -1.97 117.98 118.77 1u1z s PHE 50 Ca 0.33 -0.84 -0.35 0.00 -0.60 0.00 0.00 56.93 55.48 1u1z s PHE 50 Cb 0.09 -0.68 -0.15 0.00 0.51 0.00 0.00 43.02 42.80 1u1z s PHE 50 CO -0.16 -0.01 1.49 -2.30 0.70 0.00 0.00 175.22 174.95 1u1z n PRO 51 N -0.22 1.84 -1.01 0.24 -0.02 -1.23 -0.70 135.00 133.89 1u1z n PRO 51 Ca -0.09 0.66 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1u1z n PRO 51 Cb 0.61 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1u1z n PRO 51 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u1z n GLU 52 N 3.06 -1.83 -2.89 -0.52 1.02 -1.26 -4.81 120.64 113.41 1u1z n GLU 52 Ca 0.17 0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1u1z n GLU 52 Cb 0.26 -4.85 0.01 0.00 -0.02 0.00 0.00 31.44 26.84 1u1z n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1u1z n HIS 53 N -2.09 -2.45 -1.81 -0.32 8.25 0.12 -5.12 115.22 111.80 1u1z n HIS 53 Ca -0.00 -2.30 -0.42 0.00 -0.26 0.00 0.00 57.72 54.73 1u1z n HIS 53 Cb 0.46 0.98 -0.03 0.00 1.12 0.00 0.00 29.99 32.52 1u1z n HIS 53 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1u1z s PRO 54 N 0.13 3.91 0.00 -0.41 0.04 -1.17 -1.37 135.00 136.13 1u1z s PRO 54 Ca 0.33 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1u1z s PRO 54 Cb 0.20 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1u1z s PRO 54 CO -0.20 -1.19 0.00 -0.89 0.04 0.00 0.00 177.00 174.75 1u1z n ILE 55 N 6.07 0.00 -4.74 0.56 5.41 -0.83 -4.62 119.36 121.21 1u1z n ILE 55 Ca 0.21 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.63 1u1z n ILE 55 Cb 0.43 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.23 1u1z n ILE 55 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1u1z s PRO 57 N 3.72 2.89 0.18 0.38 0.02 -1.26 -4.60 135.00 136.33 1u1z s PRO 57 Ca 0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 61.00 60.26 1u1z s PRO 57 Cb 0.00 -2.55 0.12 0.00 0.02 0.00 0.00 34.50 32.09 1u1z s PRO 57 CO 0.00 0.51 1.81 0.78 -0.33 0.00 0.00 177.00 179.76 1u1z h GLY 58 N 5.76 0.74 0.83 0.52 0.00 -2.00 -1.41 103.07 107.50 1u1z h GLY 58 Ca -0.41 -0.22 0.15 0.00 0.00 0.00 0.00 47.33 46.85 1u1z h GLY 58 CO 0.53 0.17 0.45 -0.39 0.00 0.00 0.00 176.54 177.30 1u1z h VAL 59 N 0.59 0.50 0.00 4.60 -1.51 -2.01 0.50 116.25 118.92 1u1z h VAL 59 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 1u1z h VAL 59 Cb 0.06 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1u1z h VAL 59 CO -0.12 0.00 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.13 1u1z h LEU 60 N 0.00 0.00 0.06 4.19 3.38 -1.69 -1.91 115.31 119.35 1u1z h LEU 60 Ca 0.24 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.96 1u1z h LEU 60 Cb 1.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.90 1u1z h LEU 60 CO -0.00 0.00 -1.01 0.40 0.09 0.00 0.00 178.44 177.92 1u1z h ILE 61 N 0.00 1.33 -0.29 1.22 2.04 0.08 -0.35 117.51 121.54 1u1z h ILE 61 Ca 0.00 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 63.58 1u1z h ILE 61 Cb 0.98 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.65 1u1z h ILE 61 CO 0.00 0.70 0.10 0.40 0.00 0.00 0.00 178.15 179.35 1u1z h ILE 62 N 0.17 0.92 -0.82 -0.67 2.04 -1.29 -1.85 117.51 116.00 1u1z h ILE 62 Ca -0.14 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1u1z h ILE 62 Cb 1.70 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1u1z h ILE 62 CO 0.20 0.04 0.52 -0.08 0.00 0.00 0.00 178.15 178.83 1u1z h GLU 63 N 0.23 0.96 -0.47 2.37 4.57 -1.29 -0.51 114.58 120.43 1u1z h GLU 63 Ca 0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1u1z h GLU 63 Cb 0.10 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1u1z h GLU 63 CO -0.14 0.63 0.00 0.00 -1.18 0.00 0.00 179.01 178.33 1u1z n ALA 64 N -2.34 1.19 0.00 2.92 0.00 -0.15 -1.34 120.51 120.79 1u1z n ALA 64 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1u1z n ALA 64 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1u1z n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1z n ALA 66 N 0.58 0.00 0.14 0.00 0.00 -0.20 -1.77 120.51 119.26 1u1z n ALA 66 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1u1z n ALA 66 Cb 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 1u1z n ALA 66 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u1z h GLN 67 N 0.00 0.53 -0.75 0.00 4.20 -1.47 -2.69 115.11 114.93 1u1z h GLN 67 Ca 0.00 -0.90 -0.06 0.00 0.06 0.00 0.00 58.65 57.75 1u1z h GLN 67 Cb 0.00 0.34 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1u1z h GLN 67 CO 0.00 1.43 0.24 0.00 -0.67 0.00 0.00 178.83 179.84 1u1z h ALA 68 N 0.15 1.01 0.15 3.87 0.00 -1.61 -2.14 119.26 120.68 1u1z h ALA 68 Ca -0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1u1z h ALA 68 Cb 2.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1u1z h ALA 68 CO 0.27 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 180.05 1u1z h ALA 69 N 1.14 -0.27 -0.94 0.00 0.00 -1.84 -2.13 119.26 115.23 1u1z h ALA 69 Ca 0.24 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1u1z h ALA 69 Cb 0.29 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1u1z h ALA 69 CO -0.01 -0.67 0.60 0.78 0.00 0.00 0.00 179.25 179.95 1u1z h GLY 70 N -0.30 1.36 1.26 0.00 0.00 -1.19 0.13 103.07 104.33 1u1z h GLY 70 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1u1z h GLY 70 CO -0.03 0.05 -0.01 -2.22 0.00 0.00 0.00 176.54 174.34 1u1z h ILE 71 N 0.72 1.25 -0.54 2.60 2.04 -0.83 -2.50 117.51 120.26 1u1z h ILE 71 Ca 0.49 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 1u1z h ILE 71 Cb 0.79 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1u1z h ILE 71 CO -0.25 0.39 0.01 0.25 0.00 0.00 0.00 178.15 178.55 1u1z h LEU 72 N 0.83 0.87 0.01 1.44 5.85 -0.21 -2.83 115.31 121.27 1u1z h LEU 72 Ca 0.15 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1u1z h LEU 72 Cb 0.51 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1u1z h LEU 72 CO 0.03 0.93 -0.01 1.23 -0.34 0.00 0.00 178.44 180.28 1u1z h GLY 73 N 1.00 -0.78 -0.40 3.75 0.00 -0.53 -3.12 103.07 102.99 1u1z h GLY 73 Ca 0.16 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.97 1u1z h GLY 73 CO 0.02 -0.30 -0.18 0.74 0.00 0.00 0.00 176.54 176.82 1u1z h PHE 74 N -0.01 -0.39 0.00 5.60 0.04 -1.56 -2.55 116.94 118.06 1u1z h PHE 74 Ca -0.00 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1u1z h PHE 74 Cb 0.01 0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1u1z h PHE 74 CO -0.10 -0.30 0.00 1.63 -0.60 0.00 0.00 178.31 178.93 1u1z n LYS 75 N -5.47 0.00 0.00 1.51 4.76 -1.07 -2.44 118.16 115.45 1u1z n LYS 75 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1u1z n LYS 75 Cb 0.36 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1u1z n LYS 75 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1u1z n LEU 77 N 0.83 0.00 -1.64 -0.35 -0.00 -0.96 -4.57 117.00 110.31 1u1z n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1u1z n LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1u1z n LEU 77 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.72 1u1z n ASP 78 N 0.00 0.00 -4.81 1.45 2.03 -1.09 -4.85 116.55 109.27 1u1z n ASP 78 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1u1z n ASP 78 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1u1z n ASP 78 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1u1z s VAL 79 N -1.77 3.66 -0.75 5.18 0.11 -1.02 -5.06 120.40 120.74 1u1z s VAL 79 Ca 0.00 -1.48 -0.03 0.00 -2.93 0.00 0.00 61.98 57.54 1u1z s VAL 79 Cb 0.00 -3.18 0.19 0.00 -1.53 0.00 0.00 36.38 31.86 1u1z s VAL 79 CO 0.00 -0.23 0.61 -0.54 -3.33 0.00 0.00 175.10 171.60 1u1z s LYS 80 N -3.91 2.95 -0.01 1.54 1.02 -1.26 -4.70 119.74 115.37 1u1z s LYS 80 Ca 0.38 -2.84 -0.01 0.00 0.02 0.00 0.00 55.97 53.52 1u1z s LYS 80 Cb -0.06 -3.88 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1u1z s LYS 80 CO 0.25 -1.22 0.93 -0.35 -0.92 0.00 0.00 175.35 174.04 1u1z n PRO 81 N 3.04 0.28 -2.49 -1.68 -0.04 -1.26 -4.70 135.00 128.15 1u1z n PRO 81 Ca 0.14 -0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1u1z n PRO 81 Cb 0.38 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1u1z n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u1z n ALA 82 N 3.03 4.91 -2.58 0.55 0.00 -1.26 -4.32 120.51 120.83 1u1z n ALA 82 Ca 0.06 -4.27 -0.02 0.00 0.00 0.00 0.00 53.44 49.22 1u1z n ALA 82 Cb 0.12 -3.04 -0.01 0.00 0.00 0.00 0.00 19.45 16.51 1u1z n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1u1z n ASP 83 N 4.58 -0.59 -0.21 0.00 5.75 -1.26 -4.98 116.55 119.84 1u1z n ASP 83 Ca 0.40 -1.32 -0.02 0.00 -0.01 0.00 0.00 54.79 53.84 1u1z n ASP 83 Cb 0.38 0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 41.00 1u1z n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u1z n GLY 84 N -0.30 0.19 3.77 6.12 0.00 -1.26 -4.79 105.19 108.91 1u1z n GLY 84 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1u1z n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1z s THR 85 N -0.84 3.01 0.05 2.61 -1.32 -1.26 -1.97 115.64 115.92 1u1z s THR 85 Ca 0.00 0.90 -0.16 0.00 -1.21 0.00 0.00 61.69 61.22 1u1z s THR 85 Cb 0.00 -3.53 0.03 0.00 -1.51 0.00 0.00 72.50 67.49 1u1z s THR 85 CO 0.00 0.13 0.37 -0.22 -2.21 0.00 0.00 174.62 172.69 1u1z s LEU 86 N -2.27 0.58 -0.80 9.08 2.96 0.74 -4.80 118.68 124.16 1u1z s LEU 86 Ca 0.54 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 1u1z s LEU 86 Cb -0.34 1.61 0.15 0.00 0.50 0.00 0.00 46.19 48.12 1u1z s LEU 86 CO 0.43 -0.67 0.90 -0.31 -1.32 0.00 0.00 176.35 175.38 1u1z s TYR 87 N -2.67 3.28 -0.22 5.38 1.51 -1.26 -0.83 117.35 122.54 1u1z s TYR 87 Ca -0.04 -1.45 -0.29 0.00 -1.01 0.00 0.00 57.07 54.28 1u1z s TYR 87 Cb -0.00 -4.07 -0.03 0.00 -0.11 0.00 0.00 41.96 37.74 1u1z s TYR 87 CO -0.04 -1.29 1.76 -0.47 -1.11 0.00 0.00 175.55 174.41 1u1z s TYR 88 N 1.92 1.84 -0.19 2.71 5.04 -1.24 -4.67 117.35 122.76 1u1z s TYR 88 Ca 0.22 0.47 -0.28 0.00 -2.44 0.00 0.00 57.07 55.03 1u1z s TYR 88 Cb -0.12 -4.03 -0.05 0.00 0.35 0.00 0.00 41.96 38.10 1u1z s TYR 88 CO -0.05 -3.33 2.15 0.12 -1.34 0.00 0.00 175.55 173.09 1u1z s PHE 89 N 5.89 1.24 -0.14 4.97 5.36 -1.26 -0.77 117.98 133.28 1u1z s PHE 89 Ca 0.79 0.40 0.11 0.00 -0.96 0.00 0.00 56.93 57.27 1u1z s PHE 89 Cb -0.27 -3.99 -0.16 0.00 -0.34 0.00 0.00 43.02 38.26 1u1z s PHE 89 CO 0.32 -4.21 0.03 1.33 -1.46 0.00 0.00 175.22 171.23 1u1z n VAL 90 N 7.38 0.93 -3.79 3.12 0.24 -0.64 -4.95 118.33 120.62 1u1z n VAL 90 Ca 0.28 -0.56 -0.02 0.00 -2.04 0.00 0.00 64.34 62.00 1u1z n VAL 90 Cb 0.45 -0.67 0.01 0.00 -1.47 0.00 0.00 33.84 32.16 1u1z n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u1z n GLY 91 N 2.20 0.75 3.64 7.63 0.00 -0.95 -5.05 105.19 113.41 1u1z n GLY 91 Ca -0.23 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 1u1z n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u1z s SER 92 N -2.78 -0.28 0.26 1.61 0.15 -1.26 -1.78 113.70 109.63 1u1z s SER 92 Ca 0.17 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.38 1u1z s SER 92 Cb -0.02 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1u1z s SER 92 CO 0.03 -0.08 0.19 -1.81 1.20 0.00 0.00 173.24 172.78 1u1z s ASP 93 N 0.63 5.45 0.00 5.45 1.01 -1.24 -4.87 116.67 123.09 1u1z s ASP 93 Ca -0.01 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1u1z s ASP 93 Cb -0.04 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.55 1u1z s ASP 93 CO -0.12 -0.06 0.00 1.17 0.21 0.00 0.00 175.17 176.37 1u1z n LYS 94 N -1.18 -0.76 -4.66 8.23 4.81 -1.26 -3.66 118.16 119.69 1u1z n LYS 94 Ca -0.07 0.74 -0.26 0.00 -0.87 0.00 0.00 58.31 57.85 1u1z n LYS 94 Cb 0.58 -0.51 -0.17 0.00 0.02 0.00 0.00 35.03 34.96 1u1z n LYS 94 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1u1z s LEU 95 N -0.04 1.71 0.05 3.14 2.96 -1.26 -3.67 118.68 121.56 1u1z s LEU 95 Ca 0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1u1z s LEU 95 Cb 0.00 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1u1z s LEU 95 CO 0.00 0.05 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.85 1u1z s ARG 96 N 0.66 0.62 -0.12 1.98 3.00 0.11 -5.02 118.95 120.18 1u1z s ARG 96 Ca -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 55.73 54.84 1u1z s ARG 96 Cb -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 34.95 34.33 1u1z s ARG 96 CO 0.04 0.10 -0.16 -0.06 0.00 0.00 0.00 175.30 175.22 1u1z s PHE 97 N -1.23 2.14 -1.63 -0.53 0.40 -1.26 -1.56 117.98 114.32 1u1z s PHE 97 Ca -0.06 -1.06 0.14 0.00 -0.60 0.00 0.00 56.93 55.35 1u1z s PHE 97 Cb -0.09 -1.53 0.08 0.00 0.51 0.00 0.00 43.02 41.99 1u1z s PHE 97 CO 0.01 -0.54 0.90 0.54 0.70 0.00 0.00 175.22 176.83 1u1z n ARG 98 N 4.27 1.27 0.00 0.44 1.74 0.18 -4.99 116.66 119.58 1u1z n ARG 98 Ca -0.19 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1u1z n ARG 98 Cb 0.51 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1u1z n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u1z n GLN 99 N 0.50 0.00 -1.97 5.56 10.64 -1.24 -4.97 117.38 125.90 1u1z n GLN 99 Ca 0.08 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.85 1u1z n GLN 99 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 1u1z n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1u1z s PRO 100 N -1.41 3.88 -0.19 2.61 0.04 -1.26 -4.86 135.00 133.81 1u1z s PRO 100 Ca 0.00 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1u1z s PRO 100 Cb 0.00 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1u1z s PRO 100 CO 0.00 -0.60 0.22 0.08 0.04 0.00 0.00 177.00 176.74 1u1z s VAL 101 N -1.24 5.35 0.36 -0.36 1.01 -1.26 -5.09 120.40 119.17 1u1z s VAL 101 Ca 0.58 0.38 0.08 0.00 0.00 0.00 0.00 61.98 63.02 1u1z s VAL 101 Cb -0.40 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1u1z s VAL 101 CO 0.51 0.39 0.07 -0.76 0.00 0.00 0.00 175.10 175.32 1u1z s LEU 102 N 0.56 3.04 0.63 3.92 1.43 -1.26 -4.58 118.68 122.42 1u1z s LEU 102 Ca 0.12 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.02 1u1z s LEU 102 Cb -0.12 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1u1z s LEU 102 CO 0.02 -0.34 0.95 -2.65 0.23 0.00 0.00 176.35 174.56 1u1z n PRO 103 N -1.05 0.78 0.00 1.29 -0.02 -1.26 -1.80 135.00 132.94 1u1z n PRO 103 Ca -0.03 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1u1z n PRO 103 Cb 0.63 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1u1z n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u1z n GLY 104 N 1.27 3.12 3.79 -1.23 0.00 0.48 -4.97 105.19 107.65 1u1z n GLY 104 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1u1z n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1z s ASP 105 N -0.68 5.93 -0.41 1.61 -0.00 -0.75 -4.85 116.67 117.53 1u1z s ASP 105 Ca 0.00 1.93 -0.04 0.00 -0.00 0.00 0.00 52.55 54.44 1u1z s ASP 105 Cb 0.00 -2.55 0.10 0.00 -0.00 0.00 0.00 42.92 40.47 1u1z s ASP 105 CO 0.00 -1.07 0.21 -1.58 -0.00 0.00 0.00 175.17 172.73 1u1z s GLN 106 N -3.63 2.13 -0.38 8.23 0.74 -1.26 -1.52 119.66 123.97 1u1z s GLN 106 Ca 0.67 -1.75 -0.28 0.00 0.05 0.00 0.00 55.36 54.06 1u1z s GLN 106 Cb -0.18 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1u1z s GLN 106 CO 0.29 -1.04 1.95 -1.17 -0.55 0.00 0.00 175.29 174.77 1u1z s LEU 107 N 1.20 3.44 -0.27 3.68 2.96 0.14 -4.60 118.68 125.23 1u1z s LEU 107 Ca 0.07 1.20 -0.24 0.00 -0.22 0.00 0.00 54.13 54.94 1u1z s LEU 107 Cb -0.23 -3.22 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 1u1z s LEU 107 CO -0.03 -2.00 0.81 -1.10 -1.32 0.00 0.00 176.35 172.71 1u1z s GLN 108 N 6.31 4.09 -0.16 1.98 -0.21 0.18 -0.41 119.66 131.45 1u1z s GLN 108 Ca 0.83 0.80 -0.06 0.00 0.02 0.00 0.00 55.36 56.94 1u1z s GLN 108 Cb -0.22 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 1u1z s GLN 108 CO 0.31 -0.59 0.05 -0.51 -2.12 0.00 0.00 175.29 172.43 1u1z s LEU 109 N 2.91 3.80 -0.05 2.90 1.43 0.27 -1.21 118.68 128.72 1u1z s LEU 109 Ca 0.34 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1u1z s LEU 109 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1u1z s LEU 109 CO 0.10 0.24 -0.10 -1.00 0.23 0.00 0.00 176.35 175.81 1u1z s HIS 110 N -0.01 1.21 -0.05 0.29 3.76 -0.22 -0.85 115.29 119.42 1u1z s HIS 110 Ca 0.06 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1u1z s HIS 110 Cb -0.12 -0.92 0.02 0.00 1.11 0.00 0.00 32.58 32.68 1u1z s HIS 110 CO 0.01 -0.23 -0.02 0.00 -0.85 0.00 0.00 174.74 173.65 1u1z s ALA 111 N 0.67 0.61 -0.12 -1.40 0.00 -0.90 -1.21 121.76 119.40 1u1z s ALA 111 Ca -0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1u1z s ALA 111 Cb -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1u1z s ALA 111 CO 0.02 -0.18 -0.12 0.21 0.00 0.00 0.00 175.76 175.70 1u1z s LYS 112 N 1.29 3.34 0.36 0.00 2.20 0.41 -1.05 119.74 126.29 1u1z s LYS 112 Ca -0.05 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 54.63 1u1z s LYS 112 Cb -0.13 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 1u1z s LYS 112 CO -0.02 0.26 1.16 0.12 -0.36 0.00 0.00 175.35 176.51 1u1z s PHE 113 N 0.23 3.21 0.00 4.03 5.36 0.76 -0.28 117.98 131.29 1u1z s PHE 113 Ca -0.08 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1u1z s PHE 113 Cb -0.15 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 1u1z s PHE 113 CO 0.05 -1.13 0.00 -0.89 -1.46 0.00 0.00 175.22 171.79 1u1z n ILE 114 N 0.41 0.00 -2.85 3.12 5.41 -0.68 -4.83 119.36 119.94 1u1z n ILE 114 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1u1z n ILE 114 Cb 0.46 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 1u1z n ILE 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1u1z n SER 115 N -0.88 1.60 0.00 4.38 3.41 -1.24 -5.00 113.62 115.89 1u1z n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u1z n SER 115 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u1z n SER 115 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1u1z n VAL 116 N 0.00 0.00 -3.07 -3.33 3.14 -1.26 -3.60 118.33 110.21 1u1z n VAL 116 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 1u1z n VAL 116 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1u1z n VAL 116 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1u1z s LYS 117 N 0.00 3.12 6.20 1.45 2.47 -1.02 -4.85 119.74 127.11 1u1z s LYS 117 Ca 0.00 -1.34 0.00 0.00 -1.56 0.00 0.00 55.97 53.07 1u1z s LYS 117 Cb 0.00 -4.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.05 1u1z s LYS 117 CO 0.00 -1.59 0.00 0.54 0.16 0.00 0.00 175.35 174.46 1u1z n ARG 118 N 6.42 0.00 0.00 4.03 1.74 -1.26 -3.42 116.66 124.17 1u1z n ARG 118 Ca -0.05 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.12 1u1z n ARG 118 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1u1z n ARG 118 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1u1z n SER 119 N 7.36 1.86 -4.59 0.55 3.41 -1.26 -4.91 113.62 116.05 1u1z n SER 119 Ca 0.00 -1.43 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 1u1z n SER 119 Cb 0.00 0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1u1z n SER 119 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u1z s ILE 120 N -2.09 4.69 0.19 -1.33 -1.09 -1.22 -2.87 121.20 117.48 1u1z s ILE 120 Ca 0.16 0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 59.48 1u1z s ILE 120 Cb 0.15 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1u1z s ILE 120 CO 0.45 -0.49 0.37 0.26 -1.23 0.00 0.00 174.94 174.31 1u1z s TRP 121 N 3.21 3.48 -0.03 3.97 0.52 0.57 -2.43 118.94 128.23 1u1z s TRP 121 Ca 0.33 0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.79 1u1z s TRP 121 Cb -0.13 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1u1z s TRP 121 CO 0.18 0.40 -0.10 0.15 0.02 0.00 0.00 176.95 177.60 1u1z s LYS 122 N -3.28 1.04 0.03 4.98 -0.14 -1.24 -1.95 119.74 119.18 1u1z s LYS 122 Ca 0.38 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.67 1u1z s LYS 122 Cb -0.11 -0.96 -0.02 0.00 -1.68 0.00 0.00 37.83 35.06 1u1z s LYS 122 CO 0.29 0.13 -0.08 -0.06 -0.76 0.00 0.00 175.35 174.87 1u1z s PHE 123 N 0.14 0.72 -0.39 3.18 0.40 0.90 -1.69 117.98 121.25 1u1z s PHE 123 Ca -0.03 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1u1z s PHE 123 Cb -0.08 -0.43 0.05 0.00 0.51 0.00 0.00 43.02 43.06 1u1z s PHE 123 CO 0.01 -0.04 0.21 0.34 0.70 0.00 0.00 175.22 176.44 1u1z s ASP 124 N -1.16 5.64 0.01 1.36 2.15 0.61 -1.15 116.67 124.14 1u1z s ASP 124 Ca -0.05 -1.21 0.07 0.00 0.43 0.00 0.00 52.55 51.78 1u1z s ASP 124 Cb -0.08 -1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 40.53 1u1z s ASP 124 CO 0.00 -0.44 -0.19 0.00 -0.17 0.00 0.00 175.17 174.37 1u1z s HIS 126 N -0.81 0.86 -0.01 0.00 3.76 -0.35 -1.24 115.29 117.51 1u1z s HIS 126 Ca 0.13 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 54.69 1u1z s HIS 126 Cb -0.10 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 33.06 1u1z s HIS 126 CO 0.03 -0.02 -0.20 0.00 -0.85 0.00 0.00 174.74 173.69 1u1z s ALA 127 N -1.08 1.67 0.01 -1.40 0.00 0.26 -1.06 121.76 120.16 1u1z s ALA 127 Ca -0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1u1z s ALA 127 Cb -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1u1z s ALA 127 CO 0.01 0.40 0.20 0.95 0.00 0.00 0.00 175.76 177.33 1u1z s THR 128 N -0.52 0.08 -0.08 0.00 -4.23 -0.35 -0.95 115.64 109.59 1u1z s THR 128 Ca 0.08 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1u1z s THR 128 Cb -0.08 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1u1z s THR 128 CO -0.00 -0.38 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.82 1u1z s VAL 129 N -1.70 1.67 -1.43 2.29 1.01 -0.55 -0.65 120.40 121.05 1u1z s VAL 129 Ca -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1u1z s VAL 129 Cb -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1u1z s VAL 129 CO 0.01 0.47 0.41 0.47 0.00 0.00 0.00 175.10 176.46 1u1z n ASP 130 N 3.61 -0.37 0.00 3.32 8.00 -1.26 -0.13 116.55 129.71 1u1z n ASP 130 Ca -0.20 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1u1z n ASP 130 Cb 0.52 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 1u1z n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1u1z n ASP 131 N -2.97 0.00 -4.77 -2.24 8.00 -1.26 -4.91 116.55 108.40 1u1z n ASP 131 Ca -0.29 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.82 1u1z n ASP 131 Cb 0.68 -1.79 -0.06 0.00 -0.02 0.00 0.00 41.12 39.93 1u1z n ASP 131 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1u1z s LYS 132 N -0.63 4.35 0.15 -1.24 1.02 0.82 -5.01 119.74 119.21 1u1z s LYS 132 Ca 0.00 0.83 -0.31 0.00 0.02 0.00 0.00 55.97 56.51 1u1z s LYS 132 Cb 0.00 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.88 1u1z s LYS 132 CO 0.00 0.40 1.78 -1.25 -0.92 0.00 0.00 175.35 175.36 1u1z s PRO 133 N -0.36 4.14 -0.12 -1.68 0.04 -1.26 -1.48 135.00 134.27 1u1z s PRO 133 Ca 0.33 2.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.89 1u1z s PRO 133 Cb -0.19 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1u1z s PRO 133 CO 0.19 -0.80 -0.16 0.28 0.04 0.00 0.00 177.00 176.55 1u1z n VAL 134 N 4.45 0.68 -3.92 -0.36 0.31 -0.12 -4.62 118.33 114.75 1u1z n VAL 134 Ca 0.17 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1u1z n VAL 134 Cb 0.37 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1u1z n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u1z s SER 136 N -2.76 -0.65 0.13 0.00 1.04 -0.60 -0.57 113.70 110.29 1u1z s SER 136 Ca 0.04 1.25 -0.26 0.00 0.48 0.00 0.00 55.95 57.46 1u1z s SER 136 Cb 0.05 1.26 0.07 0.00 0.10 0.00 0.00 66.02 67.51 1u1z s SER 136 CO -0.10 -0.22 1.02 0.00 0.98 0.00 0.00 173.24 174.93 1u1z s ALA 137 N 0.35 -1.75 -0.38 5.32 0.00 -0.37 -0.71 121.76 124.22 1u1z s ALA 137 Ca -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1u1z s ALA 137 Cb -0.04 0.59 0.08 0.00 0.00 0.00 0.00 23.12 23.75 1u1z s ALA 137 CO 0.01 -1.05 0.16 -2.00 0.00 0.00 0.00 175.76 172.87 1u1z s GLU 138 N -3.13 2.29 -0.04 0.00 2.12 -1.24 -1.17 118.70 117.53 1u1z s GLU 138 Ca 0.13 -1.54 -0.24 0.00 0.36 0.00 0.00 54.97 53.68 1u1z s GLU 138 Cb -0.00 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1u1z s GLU 138 CO 0.01 -0.90 0.71 0.42 -0.54 0.00 0.00 175.26 174.96 1u1z s ILE 139 N 1.25 4.98 -0.28 -3.70 -1.09 -0.30 -3.71 121.20 118.36 1u1z s ILE 139 Ca 0.03 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.94 1u1z s ILE 139 Cb -0.22 -4.05 0.07 0.00 -1.58 0.00 0.00 42.46 36.69 1u1z s ILE 139 CO -0.01 0.28 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.30 1u1z s ILE 140 N 0.58 1.98 0.29 2.92 1.01 -0.73 -0.07 121.20 127.17 1u1z s ILE 140 Ca 0.37 -1.71 0.07 0.00 0.00 0.00 0.00 60.65 59.38 1u1z s ILE 140 Cb -0.18 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1u1z s ILE 140 CO 0.19 -0.22 0.30 0.00 0.00 0.00 0.00 174.94 175.21 1u1z s ALA 142 N -2.16 1.85 -0.39 0.00 0.00 0.05 -0.32 121.76 120.79 1u1z s ALA 142 Ca 0.37 -2.57 -0.36 0.00 0.00 0.00 0.00 51.96 49.40 1u1z s ALA 142 Cb -0.08 -1.76 -0.16 0.00 0.00 0.00 0.00 23.12 21.13 1u1z s ALA 142 CO 0.27 -2.04 1.30 -1.91 0.00 0.00 0.00 175.76 173.38 1u1z n GLU 143 N 3.15 0.00 -2.76 0.00 2.13 -1.14 -3.71 120.64 118.32 1u1z n GLU 143 Ca 0.19 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.94 1u1z n GLU 143 Cb 0.40 -1.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 1u1z n GLU 143 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1u1z n ARG 144 N 3.43 0.39 -4.30 5.31 1.74 -0.01 -4.94 116.66 118.29 1u1z n ARG 144 Ca 0.26 -1.41 -0.21 0.00 -0.77 0.00 0.00 57.85 55.73 1u1z n ARG 144 Cb -0.05 1.40 -0.16 0.00 -1.02 0.00 0.00 32.46 32.63 1u1z n ARG 144 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1u1z s LYS 145 N -2.36 0.99 0.00 5.56 -2.85 -1.26 -0.18 119.74 119.63 1u1z s LYS 145 Ca 0.14 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 54.92 1u1z s LYS 145 Cb -0.01 -0.93 0.12 0.00 -2.06 0.00 0.00 37.83 34.95 1u1z s LYS 145 CO 0.10 -0.00 0.61 1.28 0.10 0.00 0.00 175.35 177.44