#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 1.15 -0.23 2.12 6.09 -1.94 -2.21 117.51 122.49 1u1z h ILE 4 Ca 0.00 -0.37 -0.03 0.00 -1.37 0.00 0.00 64.86 63.09 1u1z h ILE 4 Cb 0.00 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.26 1u1z h ILE 4 CO 0.00 0.20 0.02 0.78 -3.07 0.00 0.00 178.15 176.07 1u1z h ASN 5 N 1.07 0.31 0.05 2.19 2.35 -1.98 -1.35 115.58 118.22 1u1z h ASN 5 Ca 0.34 -0.04 -0.26 0.00 -0.55 0.00 0.00 56.30 55.79 1u1z h ASN 5 Cb 0.01 -0.08 0.02 0.00 0.05 0.00 0.00 38.32 38.32 1u1z h ASN 5 CO -0.10 0.35 -1.03 -0.33 -1.65 0.00 0.00 177.43 174.68 1u1z h GLU 6 N 0.33 0.61 -0.64 0.81 5.08 -1.91 -3.25 114.58 115.62 1u1z h GLU 6 Ca 0.08 -0.72 0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1u1z h GLU 6 Cb 0.20 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1u1z h GLU 6 CO 0.00 1.31 0.34 0.82 -1.00 0.00 0.00 179.01 180.47 1u1z h ILE 7 N 0.23 0.94 0.00 3.13 2.04 -1.00 0.12 117.51 122.97 1u1z h ILE 7 Ca -0.14 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1u1z h ILE 7 Cb 1.71 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1u1z h ILE 7 CO 0.20 0.11 0.00 0.54 0.00 0.00 0.00 178.15 179.00 1u1z n ARG 8 N -4.83 0.41 -0.00 2.37 1.74 -0.55 -0.97 116.66 114.83 1u1z n ARG 8 Ca 0.08 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.25 1u1z n ARG 8 Cb 0.18 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.86 0.80 0.00 5.56 1.02 0.43 -4.39 120.64 123.19 1u1z n GLU 9 Ca 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1u1z n GLU 9 Cb 0.03 -1.39 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.51 0.00 -4.66 -0.32 4.01 -0.14 -4.66 117.16 109.87 1u1z n TYR 10 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.53 1u1z n TYR 10 Cb 0.31 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.34 1.90 0.00 7.72 1.43 -0.66 -4.73 118.68 122.99 1u1z s LEU 11 Ca 0.00 -0.28 0.28 0.00 -1.03 0.00 0.00 54.13 53.10 1u1z s LEU 11 Cb 0.00 -0.79 1.07 0.00 0.03 0.00 0.00 46.19 46.51 1u1z s LEU 11 CO 0.01 0.13 1.76 -0.81 0.23 0.00 0.00 176.35 177.67 1u1z n PRO 12 N 3.10 0.73 -1.99 1.29 -0.04 -1.26 -4.66 135.00 132.17 1u1z n PRO 12 Ca -0.17 -0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 62.57 1u1z n PRO 12 Cb 0.54 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1u1z n PRO 12 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1u1z s HIS 13 N -2.49 2.87 0.22 0.54 3.76 -1.26 -5.04 115.29 113.90 1u1z s HIS 13 Ca 0.27 1.28 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 1u1z s HIS 13 Cb 0.20 -3.82 -0.05 0.00 1.11 0.00 0.00 32.58 30.02 1u1z s HIS 13 CO 0.49 -2.37 0.09 1.03 -0.85 0.00 0.00 174.74 173.13 1u1z s ARG 14 N -1.75 1.27 0.26 1.40 1.81 -1.26 -4.70 118.95 115.98 1u1z s ARG 14 Ca 0.51 -1.67 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 1u1z s ARG 14 Cb -0.42 -0.09 -0.15 0.00 -0.45 0.00 0.00 34.95 33.84 1u1z s ARG 14 CO 0.56 -0.29 0.97 0.98 -0.68 0.00 0.00 175.30 176.84 1u1z n TYR 15 N -0.35 1.05 -1.52 -0.53 4.19 -1.26 -0.57 117.16 118.17 1u1z n TYR 15 Ca -0.01 0.74 -0.35 0.00 3.31 0.00 0.00 57.90 61.58 1u1z n TYR 15 Cb 0.66 -2.22 0.06 0.00 0.49 0.00 0.00 39.34 38.33 1u1z n TYR 15 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1u1z n PRO 16 N 0.93 2.65 -0.65 2.98 -0.04 -1.26 -4.93 135.00 134.67 1u1z n PRO 16 Ca 0.12 -3.23 0.03 0.00 -0.04 0.00 0.00 63.50 60.38 1u1z n PRO 16 Cb 0.30 -2.24 0.05 0.00 -0.04 0.00 0.00 33.50 31.57 1u1z n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1u1z n PHE 17 N -0.64 0.00 -3.45 0.54 7.35 0.27 -4.99 117.46 116.54 1u1z n PHE 17 Ca 0.57 -0.46 -0.43 0.00 -0.76 0.00 0.00 57.45 56.37 1u1z n PHE 17 Cb 0.50 -0.11 -0.09 0.00 0.35 0.00 0.00 39.48 40.13 1u1z n PHE 17 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1u1z s LEU 18 N -0.89 5.28 -0.37 -2.13 2.96 -1.23 -4.61 118.68 117.70 1u1z s LEU 18 Ca 0.18 -1.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 1u1z s LEU 18 Cb 0.18 -2.15 0.52 0.00 0.50 0.00 0.00 46.19 45.23 1u1z s LEU 18 CO -0.04 -0.52 1.57 0.18 -1.32 0.00 0.00 176.35 176.22 1u1z n LEU 19 N 5.16 5.17 -3.76 -0.68 4.77 -1.26 -4.88 117.00 121.52 1u1z n LEU 19 Ca -0.12 -4.00 -0.25 0.00 -0.03 0.00 0.00 56.01 51.61 1u1z n LEU 19 Cb 0.46 -0.67 -0.17 0.00 -2.33 0.00 0.00 43.42 40.70 1u1z n LEU 19 CO 0.43 1.41 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.83 1u1z s VAL 20 N -3.71 0.47 -0.10 4.08 1.01 -1.26 -4.62 120.40 116.26 1u1z s VAL 20 Ca 0.51 -0.22 0.16 0.00 0.00 0.00 0.00 61.98 62.42 1u1z s VAL 20 Cb 0.43 -0.79 -0.19 0.00 0.00 0.00 0.00 36.38 35.83 1u1z s VAL 20 CO 0.02 0.04 0.66 0.47 0.00 0.00 0.00 175.10 176.28 1u1z n ASP 21 N 5.09 0.73 -3.59 3.32 8.00 0.10 -4.97 116.55 125.23 1u1z n ASP 21 Ca -0.08 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.61 1u1z n ASP 21 Cb 0.49 0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.77 0.81 -0.35 -1.24 3.52 -0.78 -4.02 118.95 114.13 1u1z s ARG 22 Ca -0.05 0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 1u1z s ARG 22 Cb 0.08 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1u1z s ARG 22 CO 0.82 -0.17 0.18 0.08 -0.81 0.00 0.00 175.30 175.39 1u1z s VAL 23 N -0.33 4.47 -0.02 7.11 1.01 -1.26 -0.43 120.40 130.95 1u1z s VAL 23 Ca -0.03 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1u1z s VAL 23 Cb -0.03 -3.44 -0.33 0.00 0.00 0.00 0.00 36.38 32.58 1u1z s VAL 23 CO 0.03 -0.14 0.86 -0.37 0.00 0.00 0.00 175.10 175.47 1u1z h VAL 24 N 5.85 1.25 -3.55 2.92 -1.51 -1.34 -3.44 116.25 116.44 1u1z h VAL 24 Ca -0.27 -2.59 -0.35 0.00 -1.23 0.00 0.00 66.70 62.26 1u1z h VAL 24 Cb 1.11 3.00 -0.33 0.00 -2.13 0.00 0.00 31.29 32.94 1u1z h VAL 24 CO 0.65 0.78 -0.75 -0.70 -1.23 0.00 0.00 177.57 176.31 1u1z s GLU 25 N -2.53 0.42 -0.43 5.19 2.12 -0.72 -5.03 118.70 117.72 1u1z s GLU 25 Ca -0.13 0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1u1z s GLU 25 Cb 0.03 -0.53 0.12 0.00 0.26 0.00 0.00 34.13 34.02 1u1z s GLU 25 CO 0.88 -0.09 0.17 -1.17 -0.54 0.00 0.00 175.26 174.51 1u1z s LEU 26 N 0.81 4.00 -0.87 2.70 2.96 -1.26 -0.81 118.68 126.21 1u1z s LEU 26 Ca -0.09 -2.55 -0.21 0.00 -0.22 0.00 0.00 54.13 51.07 1u1z s LEU 26 Cb -0.12 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.20 1u1z s LEU 26 CO -0.01 -0.30 1.15 -0.62 -1.32 0.00 0.00 176.35 175.25 1u1z s ASP 27 N 0.38 6.47 0.34 3.68 2.15 0.01 -4.83 116.67 124.86 1u1z s ASP 27 Ca 0.14 -1.60 0.14 0.00 0.43 0.00 0.00 52.55 51.66 1u1z s ASP 27 Cb -0.23 -2.44 0.59 0.00 -0.30 0.00 0.00 42.92 40.54 1u1z s ASP 27 CO -0.05 -1.28 1.73 -0.29 -0.17 0.00 0.00 175.17 175.11 1u1z h ILE 28 N 6.06 1.24 0.43 4.11 6.09 -1.96 0.98 117.51 134.45 1u1z h ILE 28 Ca 0.03 -1.64 -0.02 0.00 -1.37 0.00 0.00 64.86 61.86 1u1z h ILE 28 Cb 1.03 1.91 0.00 0.00 0.47 0.00 0.00 36.82 40.24 1u1z h ILE 28 CO 1.19 0.45 -0.21 -0.33 -3.07 0.00 0.00 178.15 176.19 1u1z h GLU 29 N 0.00 -0.56 -0.02 2.19 4.39 -1.94 -3.10 114.58 115.54 1u1z h GLU 29 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1u1z h GLU 29 Cb 0.87 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1u1z h GLU 29 CO 0.06 -0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 1u1z n GLY 30 N -0.60 -0.75 3.57 -3.84 0.00 -1.18 -4.93 105.19 97.46 1u1z n GLY 30 Ca -0.11 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1u1z n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u1z n LYS 31 N -0.66 -3.83 -3.57 1.61 3.00 0.18 -4.79 118.16 110.11 1u1z n LYS 31 Ca 0.20 0.67 -0.11 0.00 -0.00 0.00 0.00 58.31 59.06 1u1z n LYS 31 Cb 0.15 -5.19 -0.04 0.00 0.00 0.00 0.00 35.03 29.95 1u1z n LYS 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1u1z s ARG 32 N -5.57 1.13 0.08 1.64 1.70 -0.29 -0.54 118.95 117.11 1u1z s ARG 32 Ca 0.19 -0.62 0.03 0.00 -0.47 0.00 0.00 55.73 54.86 1u1z s ARG 32 Cb -0.05 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1u1z s ARG 32 CO 0.80 -0.46 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.97 1u1z s ILE 33 N -3.74 0.81 -0.11 4.99 2.07 0.10 -0.81 121.20 124.51 1u1z s ILE 33 Ca 0.02 -1.54 -0.02 0.00 -1.41 0.00 0.00 60.65 57.71 1u1z s ILE 33 Cb 0.01 -1.22 0.04 0.00 0.13 0.00 0.00 42.46 41.41 1u1z s ILE 33 CO -0.12 -0.55 -0.00 -0.13 -1.91 0.00 0.00 174.94 172.23 1u1z s ARG 34 N -2.62 0.76 0.14 3.50 0.52 0.01 -1.54 118.95 119.72 1u1z s ARG 34 Ca 0.02 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1u1z s ARG 34 Cb -0.04 -1.39 -0.01 0.00 0.52 0.00 0.00 34.95 34.04 1u1z s ARG 34 CO -0.01 -0.39 0.12 0.00 0.02 0.00 0.00 175.30 175.04 1u1z n ALA 35 N 5.09 0.29 -3.42 2.13 0.00 0.64 -0.88 120.51 124.36 1u1z n ALA 35 Ca -0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 1u1z n ALA 35 Cb 0.49 0.66 -0.02 0.00 0.00 0.00 0.00 19.45 20.58 1u1z n ALA 35 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1u1z s TYR 36 N -2.61 -0.45 -0.10 0.00 1.13 0.43 0.51 117.35 116.27 1u1z s TYR 36 Ca 0.17 0.20 0.01 0.00 -1.41 0.00 0.00 57.07 56.03 1u1z s TYR 36 Cb 0.01 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1u1z s TYR 36 CO 0.12 -0.88 -0.10 0.21 -2.51 0.00 0.00 175.55 172.39 1u1z s LYS 37 N -3.78 1.66 -0.05 -3.49 2.36 -0.28 -0.72 119.74 115.43 1u1z s LYS 37 Ca 0.03 -0.35 -0.30 0.00 -2.55 0.00 0.00 55.97 52.80 1u1z s LYS 37 Cb -0.01 -1.55 -0.02 0.00 -1.05 0.00 0.00 37.83 35.20 1u1z s LYS 37 CO -0.10 -0.14 0.99 -0.80 1.55 0.00 0.00 175.35 176.85 1u1z s ASN 38 N 1.24 7.31 -0.32 1.43 0.01 -1.26 -0.79 114.94 122.56 1u1z s ASN 38 Ca -0.04 1.60 -0.12 0.00 -0.71 0.00 0.00 52.86 53.59 1u1z s ASN 38 Cb -0.14 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1u1z s ASN 38 CO -0.03 -0.36 0.22 -0.69 -1.51 0.00 0.00 177.10 174.73 1u1z s VAL 39 N 1.52 5.24 0.23 1.60 1.01 -0.61 -4.96 120.40 124.42 1u1z s VAL 39 Ca 0.50 -0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.48 1u1z s VAL 39 Cb -0.20 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1u1z s VAL 39 CO 0.23 0.08 -0.21 -0.55 0.00 0.00 0.00 175.10 174.65 1u1z s SER 40 N 1.73 3.31 0.19 3.32 0.15 -1.26 0.09 113.70 121.23 1u1z s SER 40 Ca 0.06 -0.95 0.24 0.00 0.70 0.00 0.00 55.95 56.00 1u1z s SER 40 Cb -0.17 -0.25 0.91 0.00 -1.71 0.00 0.00 66.02 64.80 1u1z s SER 40 CO 0.10 0.04 1.73 0.00 1.20 0.00 0.00 173.24 176.31 1u1z n ILE 41 N -0.17 0.69 -1.04 6.45 0.13 -1.26 -3.51 119.36 120.66 1u1z n ILE 41 Ca -0.09 0.03 -0.20 0.00 -1.10 0.00 0.00 62.75 61.39 1u1z n ILE 41 Cb 0.58 -0.88 0.02 0.00 -0.84 0.00 0.00 39.64 38.52 1u1z n ILE 41 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1u1z n ASN 42 N -2.11 6.56 -4.51 9.51 5.15 -1.26 -4.85 115.26 123.75 1u1z n ASN 42 Ca 0.04 -3.14 -0.32 0.00 -0.60 0.00 0.00 54.58 50.56 1u1z n ASN 42 Cb 0.31 -1.09 -0.12 0.00 -0.53 0.00 0.00 39.78 38.35 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 -1.93 2.42 0.53 1.20 2.02 -1.23 -5.04 118.70 116.66 1u1z s GLU 43 Ca 0.39 -0.77 0.27 0.00 0.02 0.00 0.00 54.97 54.88 1u1z s GLU 43 Cb 0.29 -2.37 1.42 0.00 0.10 0.00 0.00 34.13 33.57 1u1z s GLU 43 CO -0.05 0.60 1.97 -1.00 0.02 0.00 0.00 175.26 176.80 1u1z h PRO 44 N 4.89 0.00 0.00 0.39 0.13 -1.94 -2.77 132.00 132.70 1u1z h PRO 44 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1u1z h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1u1z h PRO 44 CO 0.51 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.55 1u1z h PHE 45 N 0.00 0.00 -0.32 1.56 -5.15 -1.96 -3.33 116.94 107.74 1u1z h PHE 45 Ca 0.29 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.94 1u1z h PHE 45 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.33 1u1z h PHE 45 CO 0.00 0.00 -0.27 0.74 -2.00 0.00 0.00 178.31 176.78 1u1z h PHE 46 N 0.00 0.74 0.00 6.09 0.05 -1.77 -2.77 116.94 119.28 1u1z h PHE 46 Ca 0.00 -0.18 -0.01 0.00 3.82 0.00 0.00 57.97 61.60 1u1z h PHE 46 Cb 0.66 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 38.43 1u1z h PHE 46 CO 0.00 0.86 -0.04 -0.91 -0.18 0.00 0.00 178.31 178.03 1u1z h ASN 47 N 0.56 0.00 -0.19 2.17 4.21 -1.78 -2.48 115.58 118.07 1u1z h ASN 47 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1u1z h ASN 47 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1u1z h ASN 47 CO 0.06 0.04 0.00 0.61 -1.29 0.00 0.00 177.43 176.85 1u1z n GLY 48 N -1.22 1.06 2.63 2.83 0.00 -1.14 -3.63 105.19 105.72 1u1z n GLY 48 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 1.04 -2.83 -4.14 1.61 -0.00 -0.93 -4.67 115.22 105.29 1u1z n HIS 49 Ca 0.13 -2.05 -0.14 0.00 -0.00 0.00 0.00 57.72 55.66 1u1z n HIS 49 Cb 0.47 1.13 -0.11 0.00 -0.00 0.00 0.00 29.99 31.48 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 0.42 0.95 0.18 1.57 0.40 0.17 -2.26 117.98 119.41 1u1z s PHE 50 Ca 0.32 -0.62 -0.33 0.00 -0.60 0.00 0.00 56.93 55.70 1u1z s PHE 50 Cb 0.12 -0.54 -0.15 0.00 0.51 0.00 0.00 43.02 42.97 1u1z s PHE 50 CO -0.16 -0.03 1.35 -2.30 0.70 0.00 0.00 175.22 174.78 1u1z n PRO 51 N 0.83 1.63 0.00 0.24 -0.02 -1.24 0.01 135.00 136.45 1u1z n PRO 51 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1u1z n PRO 51 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.30 0.00 -3.41 -0.52 -0.58 -1.26 -4.84 120.64 112.32 1u1z n GLU 52 Ca 0.15 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.63 1u1z n GLU 52 Cb 0.27 -1.39 -0.11 0.00 -0.57 0.00 0.00 31.44 29.64 1u1z n GLU 52 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1u1z s HIS 53 N -1.18 0.56 -0.27 -0.32 3.76 0.10 -5.10 115.29 112.84 1u1z s HIS 53 Ca 0.00 -1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 53.01 1u1z s HIS 53 Cb 0.00 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 1u1z s HIS 53 CO 0.00 -0.86 1.29 -1.25 -0.85 0.00 0.00 174.74 173.07 1u1z s PRO 54 N 0.91 3.98 0.00 8.40 0.04 -1.21 0.42 135.00 147.55 1u1z s PRO 54 Ca 0.21 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1u1z s PRO 54 Cb -0.15 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1u1z s PRO 54 CO -0.04 -1.03 0.00 -0.89 0.04 0.00 0.00 177.00 175.07 1u1z n ILE 55 N 6.03 0.00 -4.61 0.56 5.41 -0.96 -4.54 119.36 121.26 1u1z n ILE 55 Ca 0.15 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.56 1u1z n ILE 55 Cb 0.46 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.26 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 4.14 3.51 0.38 0.38 0.02 -1.26 -4.57 135.00 137.60 1u1z s PRO 57 Ca 0.00 -0.61 0.11 0.00 0.02 0.00 0.00 61.00 60.52 1u1z s PRO 57 Cb 0.00 -2.76 0.91 0.00 0.02 0.00 0.00 34.50 32.67 1u1z s PRO 57 CO 0.00 0.23 1.90 0.78 -0.33 0.00 0.00 177.00 179.57 1u1z h GLY 58 N 6.70 0.98 2.00 0.52 0.00 -2.00 0.59 103.07 111.87 1u1z h GLY 58 Ca -0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1u1z h GLY 58 CO 0.59 0.09 -0.11 -0.39 0.00 0.00 0.00 176.54 176.71 1u1z h VAL 59 N 0.59 1.06 0.00 4.60 -1.51 -2.02 -0.56 116.25 118.41 1u1z h VAL 59 Ca 0.41 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 65.48 1u1z h VAL 59 Cb 0.73 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1u1z h VAL 59 CO -0.16 0.11 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.18 1u1z h LEU 60 N 0.00 0.00 -0.22 4.19 3.38 -1.31 -0.76 115.31 120.59 1u1z h LEU 60 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u1z h LEU 60 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u1z h LEU 60 CO 0.01 0.04 -0.84 0.40 0.09 0.00 0.00 178.44 178.14 1u1z h ILE 61 N 0.00 1.34 -0.03 1.22 2.04 -0.90 0.15 117.51 121.34 1u1z h ILE 61 Ca -0.00 -2.19 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 1u1z h ILE 61 Cb 0.96 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1u1z h ILE 61 CO 0.01 0.67 0.01 0.40 0.00 0.00 0.00 178.15 179.23 1u1z h ILE 62 N 0.35 1.14 -0.79 -0.67 2.04 -1.01 -2.94 117.51 115.64 1u1z h ILE 62 Ca -0.06 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1u1z h ILE 62 Cb 1.46 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 1u1z h ILE 62 CO 0.16 0.11 0.51 -0.08 0.00 0.00 0.00 178.15 178.85 1u1z h GLU 63 N -0.13 1.04 -0.46 2.37 4.57 -1.06 -0.24 114.58 120.67 1u1z h GLU 63 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1u1z h GLU 63 Cb 0.18 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1u1z h GLU 63 CO -0.00 0.70 0.00 0.00 -1.18 0.00 0.00 179.01 178.53 1u1z n ALA 64 N -2.32 1.10 0.00 2.92 0.00 0.51 -0.70 120.51 122.02 1u1z n ALA 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1u1z n ALA 64 Cb 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.61 0.00 0.13 0.00 0.00 -0.10 -1.68 120.51 119.46 1u1z n ALA 66 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u1z n ALA 66 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 0.15 -0.28 0.00 4.20 -1.17 0.01 115.11 118.02 1u1z h GLN 67 Ca 0.00 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1u1z h GLN 67 Cb 0.00 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1u1z h GLN 67 CO 0.00 0.52 -0.43 0.00 -0.67 0.00 0.00 178.83 178.25 1u1z h ALA 68 N 1.48 0.43 -0.43 3.87 0.00 -1.58 -2.57 119.26 120.45 1u1z h ALA 68 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1u1z h ALA 68 Cb 0.75 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1u1z h ALA 68 CO 0.06 0.56 0.20 0.00 0.00 0.00 0.00 179.25 180.07 1u1z h ALA 69 N 0.68 0.54 -0.63 0.00 0.00 -1.75 -1.63 119.26 116.45 1u1z h ALA 69 Ca 0.02 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1u1z h ALA 69 Cb 1.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1u1z h ALA 69 CO 0.10 -0.16 0.42 0.78 0.00 0.00 0.00 179.25 180.39 1u1z h GLY 70 N 0.41 0.59 1.57 0.00 0.00 -0.80 0.63 103.07 105.47 1u1z h GLY 70 Ca 0.19 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1u1z h GLY 70 CO -0.15 0.09 -0.64 -2.22 0.00 0.00 0.00 176.54 173.62 1u1z h ILE 71 N 0.40 1.36 0.23 2.60 2.04 -0.91 -2.05 117.51 121.18 1u1z h ILE 71 Ca 0.30 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 1u1z h ILE 71 Cb 0.61 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1u1z h ILE 71 CO -0.08 0.60 -0.11 0.25 0.00 0.00 0.00 178.15 178.80 1u1z h LEU 72 N 0.32 -0.27 -0.40 1.44 5.85 -0.62 -1.24 115.31 120.40 1u1z h LEU 72 Ca -0.01 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1u1z h LEU 72 Cb 1.19 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1u1z h LEU 72 CO 0.11 0.04 -0.36 1.23 -0.34 0.00 0.00 178.44 179.12 1u1z h GLY 73 N -0.59 -0.36 1.28 3.75 0.00 -0.90 -0.79 103.07 105.46 1u1z h GLY 73 Ca -0.03 0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1u1z h GLY 73 CO 0.05 -0.20 0.44 0.74 0.00 0.00 0.00 176.54 177.57 1u1z h PHE 74 N -0.28 0.92 0.00 5.60 0.05 -1.36 -2.31 116.94 119.56 1u1z h PHE 74 Ca 0.16 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.96 1u1z h PHE 74 Cb 0.56 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.20 1u1z h PHE 74 CO -0.57 0.61 0.00 1.63 -0.18 0.00 0.00 178.31 179.80 1u1z n LYS 75 N -4.40 0.10 0.00 1.51 4.76 -0.30 0.40 118.16 120.22 1u1z n LYS 75 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1u1z n LYS 75 Cb 0.06 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1u1z n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u1z n LEU 77 N 0.75 0.00 -3.71 -0.35 4.77 -0.87 -4.77 117.00 112.82 1u1z n LEU 77 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1u1z n LEU 77 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1u1z n LEU 77 CO 0.00 0.00 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.31 1u1z n ASP 78 N 0.00 -4.95 -4.63 -1.43 -0.08 0.16 -4.94 116.55 100.68 1u1z n ASP 78 Ca 0.00 -1.03 -0.38 0.00 -1.51 0.00 0.00 54.79 51.87 1u1z n ASP 78 Cb 0.00 -3.30 -0.09 0.00 2.34 0.00 0.00 41.12 40.07 1u1z n ASP 78 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1u1z s VAL 79 N -3.50 5.25 0.54 5.18 1.01 -0.34 -5.09 120.40 123.46 1u1z s VAL 79 Ca 0.45 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.92 1u1z s VAL 79 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1u1z s VAL 79 CO 0.87 0.24 0.39 -0.54 0.00 0.00 0.00 175.10 176.06 1u1z s LYS 80 N 1.57 2.25 -0.58 2.72 -0.14 -1.26 -4.84 119.74 119.46 1u1z s LYS 80 Ca 0.13 -2.04 -0.27 0.00 -1.36 0.00 0.00 55.97 52.43 1u1z s LYS 80 Cb -0.15 -2.07 -0.01 0.00 -1.68 0.00 0.00 37.83 33.92 1u1z s LYS 80 CO 0.08 -0.61 1.66 -1.25 -0.76 0.00 0.00 175.35 174.48 1u1z s PRO 81 N -4.26 2.96 0.00 -1.68 0.04 -1.26 -5.02 135.00 125.78 1u1z s PRO 81 Ca 0.33 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1u1z s PRO 81 Cb -0.02 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1u1z s PRO 81 CO 0.20 -2.34 0.00 0.25 0.04 0.00 0.00 177.00 175.15 1u1z n THR 85 N 7.04 0.00 -3.79 1.26 -2.24 -1.26 -5.25 114.28 110.03 1u1z n THR 85 Ca 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1u1z n THR 85 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 1u1z n THR 85 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1z s LEU 86 N 0.00 1.06 -1.06 3.22 2.96 -1.07 -4.75 118.68 119.04 1u1z s LEU 86 Ca 0.00 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 1u1z s LEU 86 Cb 0.00 0.94 0.27 0.00 0.50 0.00 0.00 46.19 47.90 1u1z s LEU 86 CO 0.00 -0.21 1.11 -1.22 -1.32 0.00 0.00 176.35 174.71 1u1z n TYR 87 N 2.36 4.55 -1.62 5.38 4.02 -1.26 -2.37 117.16 128.22 1u1z n TYR 87 Ca -0.16 -3.74 -0.48 0.00 -0.01 0.00 0.00 57.90 53.51 1u1z n TYR 87 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 39.34 38.35 1u1z n TYR 87 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1u1z n TYR 88 N 2.33 1.73 -2.66 -0.72 9.36 -1.10 -4.65 117.16 121.45 1u1z n TYR 88 Ca 0.24 0.54 -0.42 0.00 3.32 0.00 0.00 57.90 61.57 1u1z n TYR 88 Cb 0.38 -2.38 -0.03 0.00 -0.63 0.00 0.00 39.34 36.67 1u1z n TYR 88 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1u1z s PHE 89 N 0.22 2.67 -0.52 2.98 5.36 -1.26 -1.25 117.98 126.17 1u1z s PHE 89 Ca 0.76 0.28 0.21 0.00 -0.96 0.00 0.00 56.93 57.22 1u1z s PHE 89 Cb -0.80 -4.37 -0.27 0.00 -0.34 0.00 0.00 43.02 37.23 1u1z s PHE 89 CO 0.47 -1.51 0.68 1.33 -1.46 0.00 0.00 175.22 174.73 1u1z n VAL 90 N 6.52 0.00 -2.77 3.12 0.24 -0.45 -5.01 118.33 119.99 1u1z n VAL 90 Ca 0.06 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1u1z n VAL 90 Cb 0.49 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 1.40 -1.62 3.60 7.63 0.00 -1.12 -5.02 105.19 110.06 1u1z n GLY 91 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.99 -0.35 -0.25 1.61 0.15 -1.26 -1.62 113.70 108.99 1u1z s SER 92 Ca 0.00 0.45 -0.09 0.00 0.70 0.00 0.00 55.95 57.01 1u1z s SER 92 Cb 0.00 0.38 -0.16 0.00 -1.71 0.00 0.00 66.02 64.54 1u1z s SER 92 CO 0.00 -0.27 -0.20 0.47 1.20 0.00 0.00 173.24 174.44 1u1z n ASP 93 N 1.02 1.97 -3.90 5.45 9.92 -1.26 -4.90 116.55 124.85 1u1z n ASP 93 Ca -0.10 0.18 -0.28 0.00 -0.53 0.00 0.00 54.79 54.06 1u1z n ASP 93 Cb 0.58 -0.70 -0.17 0.00 -0.64 0.00 0.00 41.12 40.19 1u1z n ASP 93 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1u1z s LYS 94 N -2.50 1.48 -0.04 -1.24 2.20 -1.26 -5.08 119.74 113.29 1u1z s LYS 94 Ca -0.35 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 54.86 1u1z s LYS 94 Cb 0.11 -1.86 0.01 0.00 -1.51 0.00 0.00 37.83 34.58 1u1z s LYS 94 CO 0.56 -0.37 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.90 1u1z s LEU 95 N 1.66 1.72 -0.02 5.43 2.96 -1.26 -3.48 118.68 125.69 1u1z s LEU 95 Ca 0.02 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1u1z s LEU 95 Cb -0.14 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.85 1u1z s LEU 95 CO -0.08 0.06 0.10 -0.13 -1.32 0.00 0.00 176.35 174.98 1u1z s ARG 96 N 0.37 0.29 -0.10 1.98 3.00 -0.65 -5.02 118.95 118.82 1u1z s ARG 96 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 55.73 55.53 1u1z s ARG 96 Cb -0.12 0.12 -0.01 0.00 0.00 0.00 0.00 34.95 34.94 1u1z s ARG 96 CO 0.02 -0.06 -0.19 -0.06 0.00 0.00 0.00 175.30 175.01 1u1z s PHE 97 N -0.68 2.65 -0.26 -0.53 0.40 -1.26 -2.14 117.98 116.16 1u1z s PHE 97 Ca -0.08 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 55.50 1u1z s PHE 97 Cb -0.05 -1.74 -0.16 0.00 0.51 0.00 0.00 43.02 41.59 1u1z s PHE 97 CO 0.00 -0.24 -0.26 0.54 0.70 0.00 0.00 175.22 175.97 1u1z n ARG 98 N 3.30 0.63 -3.82 0.44 5.12 0.73 -4.99 116.66 118.07 1u1z n ARG 98 Ca -0.18 0.18 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 1u1z n ARG 98 Cb 0.53 -1.51 -0.09 0.00 -1.16 0.00 0.00 32.46 30.23 1u1z n ARG 98 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1u1z s GLN 99 N -2.52 0.65 0.44 5.56 -2.07 -1.25 -5.04 119.66 115.43 1u1z s GLN 99 Ca -0.36 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 52.49 1u1z s GLN 99 Cb 0.11 0.28 -0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1u1z s GLN 99 CO 0.57 -0.18 1.16 -1.25 -1.32 0.00 0.00 175.29 174.27 1u1z s PRO 100 N -1.99 3.86 -0.19 9.60 0.04 -1.26 -4.84 135.00 140.22 1u1z s PRO 100 Ca -0.09 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1u1z s PRO 100 Cb -0.04 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1u1z s PRO 100 CO -0.01 -0.47 0.26 0.08 0.04 0.00 0.00 177.00 176.90 1u1z s VAL 101 N -1.52 5.32 0.36 -0.36 1.01 -1.26 -5.09 120.40 118.85 1u1z s VAL 101 Ca 0.62 0.45 0.08 0.00 0.00 0.00 0.00 61.98 63.13 1u1z s VAL 101 Cb -0.29 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1u1z s VAL 101 CO 0.35 0.37 0.05 -0.76 0.00 0.00 0.00 175.10 175.11 1u1z s LEU 102 N 0.70 3.03 0.31 3.92 1.43 -1.26 -4.62 118.68 122.19 1u1z s LEU 102 Ca 0.14 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 1u1z s LEU 102 Cb -0.13 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 1u1z s LEU 102 CO 0.03 -0.31 1.36 -2.65 0.23 0.00 0.00 176.35 175.02 1u1z n PRO 103 N -1.02 2.19 -0.13 1.29 -0.02 -1.26 -1.82 135.00 134.23 1u1z n PRO 103 Ca -0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1u1z n PRO 103 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.28 0.84 3.82 -1.23 0.00 0.11 -4.97 105.19 105.04 1u1z n GLY 104 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.78 7.05 -0.44 1.61 -0.00 -0.75 -4.91 116.67 116.44 1u1z s ASP 105 Ca 0.00 1.44 -0.14 0.00 -0.00 0.00 0.00 52.55 53.85 1u1z s ASP 105 Cb 0.00 -2.43 0.06 0.00 -0.00 0.00 0.00 42.92 40.55 1u1z s ASP 105 CO 0.00 -0.00 0.34 -1.58 -0.00 0.00 0.00 175.17 173.93 1u1z s GLN 106 N -2.09 2.90 -0.63 8.23 0.74 -1.26 -1.57 119.66 125.98 1u1z s GLN 106 Ca 0.45 -1.29 -0.28 0.00 0.05 0.00 0.00 55.36 54.30 1u1z s GLN 106 Cb -0.16 -4.01 0.02 0.00 1.10 0.00 0.00 33.01 29.96 1u1z s GLN 106 CO 0.21 -0.94 1.35 -1.17 -0.55 0.00 0.00 175.29 174.19 1u1z s LEU 107 N 1.61 3.32 0.06 3.68 2.96 0.03 -4.58 118.68 125.76 1u1z s LEU 107 Ca 0.04 -0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 1u1z s LEU 107 Cb -0.23 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 1u1z s LEU 107 CO 0.06 -1.75 1.14 -1.10 -1.32 0.00 0.00 176.35 173.38 1u1z s GLN 108 N 5.57 4.48 -0.15 1.98 -0.21 0.04 -1.13 119.66 130.24 1u1z s GLN 108 Ca 0.45 1.68 0.02 0.00 0.02 0.00 0.00 55.36 57.53 1u1z s GLN 108 Cb -0.09 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.56 1u1z s GLN 108 CO 0.21 -0.18 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.49 1u1z s LEU 109 N 0.92 2.19 -0.11 2.90 1.43 0.18 -1.64 118.68 124.56 1u1z s LEU 109 Ca 0.56 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1u1z s LEU 109 Cb -0.27 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1u1z s LEU 109 CO 0.29 0.06 -0.18 -1.00 0.23 0.00 0.00 176.35 175.76 1u1z s HIS 110 N 0.94 2.70 -0.04 0.29 3.76 0.27 -0.26 115.29 122.95 1u1z s HIS 110 Ca -0.04 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1u1z s HIS 110 Cb -0.15 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.79 1u1z s HIS 110 CO -0.04 -0.28 -0.03 0.00 -0.85 0.00 0.00 174.74 173.54 1u1z s ALA 111 N 0.29 0.58 -0.21 -1.40 0.00 -0.59 -1.45 121.76 118.98 1u1z s ALA 111 Ca -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1u1z s ALA 111 Cb -0.16 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.56 1u1z s ALA 111 CO 0.07 -0.09 -0.13 0.21 0.00 0.00 0.00 175.76 175.82 1u1z s LYS 112 N 1.07 2.34 0.25 0.00 2.20 -0.20 0.01 119.74 125.42 1u1z s LYS 112 Ca -0.09 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.24 1u1z s LYS 112 Cb -0.14 -2.57 -0.13 0.00 -1.51 0.00 0.00 37.83 33.48 1u1z s LYS 112 CO -0.01 -0.41 1.53 0.34 -0.36 0.00 0.00 175.35 176.45 1u1z n PHE 113 N 4.60 2.53 -0.05 4.03 7.35 0.30 -1.35 117.46 134.87 1u1z n PHE 113 Ca -0.16 0.30 -0.11 0.00 -0.76 0.00 0.00 57.45 56.72 1u1z n PHE 113 Cb 0.46 -2.55 -0.04 0.00 0.35 0.00 0.00 39.48 37.71 1u1z n PHE 113 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1u1z n ILE 114 N 2.32 1.01 -3.61 -2.13 5.41 -0.32 -4.87 119.36 117.17 1u1z n ILE 114 Ca 0.11 -0.02 -0.03 0.00 1.00 0.00 0.00 62.75 63.82 1u1z n ILE 114 Cb 0.34 -1.81 -0.01 0.00 -0.71 0.00 0.00 39.64 37.45 1u1z n ILE 114 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1u1z s SER 115 N -6.16 -0.13 -0.05 4.38 1.04 -1.12 -5.01 113.70 106.65 1u1z s SER 115 Ca -0.18 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 1u1z s SER 115 Cb 0.06 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1u1z s SER 115 CO 0.24 -0.34 0.10 0.54 0.98 0.00 0.00 173.24 174.77 1u1z s VAL 116 N -2.54 -0.06 -0.18 5.02 0.11 -1.26 -1.02 120.40 120.47 1u1z s VAL 116 Ca 0.11 0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 1u1z s VAL 116 Cb 0.01 -0.18 0.09 0.00 -1.53 0.00 0.00 36.38 34.76 1u1z s VAL 116 CO -0.04 0.08 0.34 -1.59 -3.33 0.00 0.00 175.10 170.56 1u1z s LYS 117 N 1.18 0.25 -0.75 1.54 -2.85 -1.03 -4.82 119.74 113.26 1u1z s LYS 117 Ca -0.09 0.82 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1u1z s LYS 117 Cb -0.12 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 1u1z s LYS 117 CO -0.05 -0.33 0.00 0.54 0.10 0.00 0.00 175.35 175.61 1u1z n ARG 118 N 5.37 -0.53 -1.03 1.78 1.74 -1.26 -2.48 116.66 120.26 1u1z n ARG 118 Ca -0.07 0.67 -0.01 0.00 -0.77 0.00 0.00 57.85 57.68 1u1z n ARG 118 Cb 0.50 -4.51 -0.00 0.00 -1.02 0.00 0.00 32.46 27.43 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 0.77 -3.16 -4.38 0.55 3.41 -1.26 -5.01 113.62 104.54 1u1z n SER 119 Ca -0.08 0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1u1z n SER 119 Cb 0.31 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 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 -2.01 4.91 0.13 -1.33 -1.09 -1.04 -3.01 121.20 117.75 1u1z s ILE 120 Ca 0.00 -0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1u1z s ILE 120 Cb 0.00 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 1u1z s ILE 120 CO 0.00 -0.41 0.60 0.26 -1.23 0.00 0.00 174.94 174.17 1u1z s TRP 121 N 1.59 3.72 -0.09 3.97 0.52 0.90 -2.46 118.94 127.08 1u1z s TRP 121 Ca 0.04 1.25 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1u1z s TRP 121 Cb -0.21 -2.50 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1u1z s TRP 121 CO 0.07 0.49 -0.11 0.15 0.02 0.00 0.00 176.95 177.56 1u1z s LYS 122 N -1.55 1.77 0.11 4.98 1.02 -0.19 -0.23 119.74 125.66 1u1z s LYS 122 Ca 0.35 -0.39 0.10 0.00 0.02 0.00 0.00 55.97 56.04 1u1z s LYS 122 Cb -0.18 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1u1z s LYS 122 CO 0.20 -0.11 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.22 1u1z s PHE 123 N 1.13 2.08 -0.33 3.18 0.40 0.46 -1.18 117.98 123.73 1u1z s PHE 123 Ca -0.05 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1u1z s PHE 123 Cb -0.14 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1u1z s PHE 123 CO -0.02 0.26 0.21 0.34 0.70 0.00 0.00 175.22 176.71 1u1z s ASP 124 N -1.91 5.88 0.15 1.36 3.68 -0.46 -1.18 116.67 124.19 1u1z s ASP 124 Ca 0.11 -0.43 0.11 0.00 2.13 0.00 0.00 52.55 54.46 1u1z s ASP 124 Cb -0.10 -2.09 -0.04 0.00 -1.45 0.00 0.00 42.92 39.24 1u1z s ASP 124 CO 0.05 -0.21 -0.23 0.00 0.13 0.00 0.00 175.17 174.91 1u1z s HIS 126 N -1.32 -0.10 0.02 0.00 3.76 -0.53 -1.96 115.29 115.15 1u1z s HIS 126 Ca 0.18 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.30 1u1z s HIS 126 Cb -0.09 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 1u1z s HIS 126 CO 0.09 -0.31 -0.13 0.00 -0.85 0.00 0.00 174.74 173.54 1u1z s ALA 127 N -1.12 1.12 0.10 -1.40 0.00 0.43 -0.56 121.76 120.33 1u1z s ALA 127 Ca -0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1u1z s ALA 127 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1u1z s ALA 127 CO 0.03 0.24 0.16 0.95 0.00 0.00 0.00 175.76 177.13 1u1z s THR 128 N -0.60 0.14 -0.04 0.00 -4.23 -0.65 -1.20 115.64 109.06 1u1z s THR 128 Ca 0.03 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1u1z s THR 128 Cb -0.06 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1u1z s THR 128 CO 0.00 -0.64 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.74 1u1z s VAL 129 N -3.90 0.35 -1.34 2.29 1.01 -0.77 -0.78 120.40 117.26 1u1z s VAL 129 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1u1z s VAL 129 Cb 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 36.06 1u1z s VAL 129 CO -0.08 0.20 0.53 0.47 0.00 0.00 0.00 175.10 176.22 1u1z n ASP 130 N 4.32 -4.04 0.00 3.32 8.00 -1.26 -0.86 116.55 126.02 1u1z n ASP 130 Ca -0.21 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1u1z n ASP 130 Cb 0.50 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 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 -2.35 -2.93 -4.86 -2.24 8.00 -1.26 -5.00 116.55 105.90 1u1z n ASP 131 Ca -0.02 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.13 1u1z n ASP 131 Cb 0.55 -2.06 -0.05 0.00 -0.02 0.00 0.00 41.12 39.54 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 -1.00 3.77 0.17 -1.24 1.02 -0.04 -5.04 119.74 117.38 1u1z s LYS 132 Ca 0.00 0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 1u1z s LYS 132 Cb 0.00 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1u1z s LYS 132 CO 0.00 0.57 1.38 -1.25 -0.92 0.00 0.00 175.35 175.12 1u1z s PRO 133 N -1.86 4.33 -0.11 -1.68 0.04 -1.26 -1.84 135.00 132.61 1u1z s PRO 133 Ca 0.33 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1u1z s PRO 133 Cb -0.14 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1u1z s PRO 133 CO 0.18 -0.37 -0.13 0.28 0.04 0.00 0.00 177.00 176.99 1u1z n VAL 134 N 3.21 0.63 -3.77 -0.36 0.31 -0.34 -4.28 118.33 113.72 1u1z n VAL 134 Ca 0.09 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 1u1z n VAL 134 Cb 0.42 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.56 -0.70 0.04 0.00 1.04 -0.91 -0.42 113.70 110.18 1u1z s SER 136 Ca 0.01 1.35 -0.28 0.00 0.48 0.00 0.00 55.95 57.50 1u1z s SER 136 Cb 0.02 1.36 0.09 0.00 0.10 0.00 0.00 66.02 67.59 1u1z s SER 136 CO -0.09 -0.23 0.99 0.00 0.98 0.00 0.00 173.24 174.90 1u1z s ALA 137 N 0.41 -1.83 -0.41 5.32 0.00 -0.83 -1.63 121.76 122.80 1u1z s ALA 137 Ca -0.00 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1u1z s ALA 137 Cb -0.05 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.58 1u1z s ALA 137 CO -0.00 -0.86 0.25 -2.00 0.00 0.00 0.00 175.76 173.15 1u1z s GLU 138 N -3.04 2.73 0.08 0.00 2.12 -1.23 -0.96 118.70 118.40 1u1z s GLU 138 Ca 0.09 -1.30 -0.26 0.00 0.36 0.00 0.00 54.97 53.86 1u1z s GLU 138 Cb -0.00 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 1u1z s GLU 138 CO -0.04 -0.86 0.82 0.42 -0.54 0.00 0.00 175.26 175.06 1u1z s ILE 139 N 1.50 4.63 -0.15 -3.70 -1.09 -0.33 -4.08 121.20 117.98 1u1z s ILE 139 Ca 0.03 1.75 0.01 0.00 -2.23 0.00 0.00 60.65 60.21 1u1z s ILE 139 Cb -0.22 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1u1z s ILE 139 CO 0.04 0.37 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.31 1u1z s ILE 140 N -0.18 1.85 0.35 2.92 1.01 -0.64 -0.41 121.20 126.11 1u1z s ILE 140 Ca 0.40 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1u1z s ILE 140 Cb -0.22 -1.67 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 1u1z s ILE 140 CO 0.25 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.65 1u1z s ALA 142 N -2.77 -0.70 0.59 0.00 0.00 -0.38 -0.07 121.76 118.43 1u1z s ALA 142 Ca 0.33 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 1u1z s ALA 142 Cb 0.05 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1u1z s ALA 142 CO 0.16 -0.64 1.03 0.39 0.00 0.00 0.00 175.76 176.70 1u1z n GLU 143 N 5.30 1.02 -3.33 0.00 1.02 -1.17 -2.69 120.64 120.79 1u1z n GLU 143 Ca -0.08 0.39 -0.03 0.00 -0.02 0.00 0.00 57.16 57.43 1u1z n GLU 143 Cb 0.50 -2.23 0.02 0.00 -0.02 0.00 0.00 31.44 29.71 1u1z n GLU 143 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u1z n ARG 144 N -1.01 0.55 0.00 3.49 1.74 -1.00 -4.90 116.66 115.53 1u1z n ARG 144 Ca 0.13 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1u1z n ARG 144 Cb 0.47 1.64 0.00 0.00 -1.02 0.00 0.00 32.46 33.54 1u1z n ARG 144 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28