#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 0.75 -0.25 2.12 6.09 -1.93 -0.82 117.51 123.45 1u1z h ILE 4 Ca 0.00 -0.28 -0.04 0.00 -1.37 0.00 0.00 64.86 63.17 1u1z h ILE 4 Cb 0.00 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.15 1u1z h ILE 4 CO 0.00 0.15 0.00 0.78 -3.07 0.00 0.00 178.15 176.01 1u1z h ASN 5 N 0.81 0.44 -0.56 2.19 2.35 -1.98 -0.48 115.58 118.35 1u1z h ASN 5 Ca 0.56 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1u1z h ASN 5 Cb 0.82 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1u1z h ASN 5 CO -0.36 0.64 0.37 -0.33 -1.65 0.00 0.00 177.43 176.11 1u1z h GLU 6 N 0.23 0.73 -0.87 0.81 5.08 -1.85 -1.29 114.58 117.43 1u1z h GLU 6 Ca 0.07 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1u1z h GLU 6 Cb 0.41 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1u1z h GLU 6 CO 0.01 0.49 0.57 0.82 -1.00 0.00 0.00 179.01 179.90 1u1z h ILE 7 N 0.76 1.03 0.00 3.13 2.04 -0.92 -0.62 117.51 122.93 1u1z h ILE 7 Ca 0.20 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1u1z h ILE 7 Cb -0.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1u1z h ILE 7 CO -0.04 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.82 1u1z n ARG 8 N -4.50 0.50 0.03 2.37 1.74 -0.21 -1.27 116.66 115.32 1u1z n ARG 8 Ca 0.14 0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 1u1z n ARG 8 Cb 0.23 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 1u1z n ARG 8 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u1z h GLU 9 N 0.00 0.00 0.05 5.56 5.08 -0.58 -3.37 114.58 121.31 1u1z h GLU 9 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1u1z h GLU 9 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1u1z h GLU 9 CO 0.00 0.76 -2.09 0.66 -1.00 0.00 0.00 179.01 177.35 1u1z n TYR 10 N -3.21 0.74 -4.20 4.33 4.01 -1.04 -0.18 117.16 117.61 1u1z n TYR 10 Ca -0.07 0.19 -0.34 0.00 -0.16 0.00 0.00 57.90 57.52 1u1z n TYR 10 Cb 0.98 -1.11 -0.11 0.00 -0.31 0.00 0.00 39.34 38.79 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 -6.46 3.56 0.07 7.72 1.43 -0.39 -4.88 118.68 119.72 1u1z s LEU 11 Ca -0.19 -0.00 0.28 0.00 -1.03 0.00 0.00 54.13 53.18 1u1z s LEU 11 Cb 0.07 -1.88 1.00 0.00 0.03 0.00 0.00 46.19 45.41 1u1z s LEU 11 CO 0.76 0.18 1.80 -0.81 0.23 0.00 0.00 176.35 178.51 1u1z n PRO 12 N 3.45 0.09 -1.69 1.29 -0.04 -1.26 -4.53 135.00 132.31 1u1z n PRO 12 Ca -0.17 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 1u1z n PRO 12 Cb 0.52 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.75 2.23 -4.42 0.54 8.25 -1.26 -5.01 115.22 113.80 1u1z n HIS 13 Ca 0.06 0.50 -0.23 0.00 -0.26 0.00 0.00 57.72 57.79 1u1z n HIS 13 Cb 0.37 -2.43 -0.08 0.00 1.12 0.00 0.00 29.99 28.97 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 1.15 0.50 -1.72 -0.41 5.12 -1.26 -4.68 116.66 115.36 1u1z n ARG 14 Ca 0.07 -3.49 -0.43 0.00 -1.93 0.00 0.00 57.85 52.08 1u1z n ARG 14 Cb 0.34 2.28 -0.01 0.00 -1.16 0.00 0.00 32.46 33.91 1u1z n ARG 14 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1u1z n TYR 15 N -0.82 2.52 -1.41 -1.55 4.19 -1.26 0.47 117.16 119.30 1u1z n TYR 15 Ca -0.00 0.41 -0.35 0.00 3.31 0.00 0.00 57.90 61.27 1u1z n TYR 15 Cb 0.62 -2.50 0.07 0.00 0.49 0.00 0.00 39.34 38.03 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 1.45 2.67 -0.83 2.98 -0.04 -1.26 -4.96 135.00 135.02 1u1z n PRO 16 Ca 0.07 -3.27 0.05 0.00 -0.04 0.00 0.00 63.50 60.32 1u1z n PRO 16 Cb 0.35 -2.27 0.11 0.00 -0.04 0.00 0.00 33.50 31.65 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 -0.81 0.00 -3.52 0.54 7.35 0.18 -4.97 117.46 116.23 1u1z n PHE 17 Ca 0.61 -0.88 -0.41 0.00 -0.76 0.00 0.00 57.45 56.00 1u1z n PHE 17 Cb 0.59 -0.17 -0.10 0.00 0.35 0.00 0.00 39.48 40.14 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 -1.63 4.69 -0.21 -2.13 2.96 -1.19 -4.60 118.68 116.58 1u1z s LEU 18 Ca 0.31 -0.60 0.14 0.00 -0.22 0.00 0.00 54.13 53.76 1u1z s LEU 18 Cb 0.32 -2.13 0.45 0.00 0.50 0.00 0.00 46.19 45.33 1u1z s LEU 18 CO -0.08 -0.31 1.35 0.18 -1.32 0.00 0.00 176.35 176.17 1u1z n LEU 19 N 5.11 3.45 -4.00 -0.68 4.77 -1.26 -4.88 117.00 119.52 1u1z n LEU 19 Ca -0.12 -3.37 -0.31 0.00 -0.03 0.00 0.00 56.01 52.18 1u1z n LEU 19 Cb 0.49 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.88 1u1z n LEU 19 CO 0.38 0.95 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.24 1u1z s VAL 20 N -3.02 1.69 -0.19 4.08 1.01 -1.26 -4.59 120.40 118.13 1u1z s VAL 20 Ca 0.40 -1.13 0.21 0.00 0.00 0.00 0.00 61.98 61.46 1u1z s VAL 20 Cb 0.35 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 1u1z s VAL 20 CO 0.03 0.09 0.91 0.47 0.00 0.00 0.00 175.10 176.60 1u1z n ASP 21 N 4.65 0.71 -3.62 3.32 8.00 -0.68 -4.96 116.55 123.97 1u1z n ASP 21 Ca -0.14 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 1u1z n ASP 21 Cb 0.45 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.14 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 -3.31 0.56 -0.26 -1.24 3.52 -0.95 -4.30 118.95 112.97 1u1z s ARG 22 Ca -0.02 0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.97 1u1z s ARG 22 Cb 0.10 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 1u1z s ARG 22 CO 0.81 -0.11 0.06 0.08 -0.81 0.00 0.00 175.30 175.33 1u1z s VAL 23 N -0.22 4.08 -0.14 7.11 1.01 -1.26 -0.97 120.40 130.01 1u1z s VAL 23 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1u1z s VAL 23 Cb -0.03 -2.95 -0.24 0.00 0.00 0.00 0.00 36.38 33.16 1u1z s VAL 23 CO -0.03 0.29 0.29 1.33 0.00 0.00 0.00 175.10 176.98 1u1z n VAL 24 N 4.89 1.67 -3.89 2.92 0.24 0.38 -4.81 118.33 119.73 1u1z n VAL 24 Ca -0.16 -0.68 -0.14 0.00 -2.04 0.00 0.00 64.34 61.32 1u1z n VAL 24 Cb 0.50 -1.45 -0.15 0.00 -1.47 0.00 0.00 33.84 31.28 1u1z n VAL 24 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1u1z s GLU 25 N -2.55 0.09 -0.38 7.34 2.12 -0.60 -4.99 118.70 119.72 1u1z s GLU 25 Ca -0.20 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1u1z s GLU 25 Cb 0.07 -0.19 0.11 0.00 0.26 0.00 0.00 34.13 34.39 1u1z s GLU 25 CO 0.75 -0.05 0.13 -1.17 -0.54 0.00 0.00 175.26 174.39 1u1z s LEU 26 N 0.40 3.56 -0.90 2.70 1.98 -1.26 -0.65 118.68 124.51 1u1z s LEU 26 Ca -0.03 -2.22 -0.12 0.00 -2.89 0.00 0.00 54.13 48.86 1u1z s LEU 26 Cb -0.05 -1.29 0.23 0.00 0.66 0.00 0.00 46.19 45.74 1u1z s LEU 26 CO -0.01 -0.35 0.85 -0.62 -1.89 0.00 0.00 176.35 174.33 1u1z s ASP 27 N 0.83 6.86 0.09 3.68 2.15 -0.93 -4.93 116.67 124.42 1u1z s ASP 27 Ca 0.13 -2.95 -0.34 0.00 0.43 0.00 0.00 52.55 49.81 1u1z s ASP 27 Cb -0.21 -2.19 -0.15 0.00 -0.30 0.00 0.00 42.92 40.07 1u1z s ASP 27 CO -0.10 -0.48 1.58 0.40 -0.17 0.00 0.00 175.17 176.39 1u1z h ILE 28 N 4.49 0.08 -0.80 4.11 1.08 -1.96 0.37 117.51 124.88 1u1z h ILE 28 Ca 0.12 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.77 1u1z h ILE 28 Cb 0.99 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.71 1u1z h ILE 28 CO 0.82 0.00 0.28 -0.08 -0.69 0.00 0.00 178.15 178.48 1u1z h GLU 29 N -0.89 0.35 -0.00 2.37 4.81 -1.96 0.33 114.58 119.59 1u1z h GLU 29 Ca -0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1u1z h GLU 29 Cb 0.80 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1u1z h GLU 29 CO -0.11 0.23 -0.10 0.41 -0.73 0.00 0.00 179.01 178.72 1u1z n GLY 30 N -1.34 -1.41 3.62 1.92 0.00 -1.01 -4.94 105.19 102.03 1u1z n GLY 30 Ca 0.17 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.46 -6.17 -4.36 1.61 5.02 0.12 -4.79 118.16 108.14 1u1z n LYS 31 Ca 0.08 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.92 1u1z n LYS 31 Cb 0.33 -5.59 -0.10 0.00 -0.02 0.00 0.00 35.03 29.64 1u1z n LYS 31 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1u1z s ARG 32 N -5.93 1.40 -0.05 1.97 0.52 -0.81 -0.84 118.95 115.22 1u1z s ARG 32 Ca 0.21 -1.71 -0.10 0.00 -0.52 0.00 0.00 55.73 53.61 1u1z s ARG 32 Cb -0.10 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.63 1u1z s ARG 32 CO 0.77 -0.07 0.23 -1.50 0.02 0.00 0.00 175.30 174.76 1u1z s ILE 33 N -3.31 0.04 -0.10 1.52 2.07 -0.58 -2.19 121.20 118.65 1u1z s ILE 33 Ca 0.29 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1u1z s ILE 33 Cb 0.05 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1u1z s ILE 33 CO 0.10 -0.18 -0.08 -0.13 -1.91 0.00 0.00 174.94 172.74 1u1z s ARG 34 N -0.68 1.49 0.23 3.50 0.52 0.18 -2.60 118.95 121.59 1u1z s ARG 34 Ca -0.08 -0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1u1z s ARG 34 Cb -0.04 -1.47 -0.02 0.00 0.52 0.00 0.00 34.95 33.93 1u1z s ARG 34 CO 0.02 -0.18 0.28 0.00 0.02 0.00 0.00 175.30 175.43 1u1z s ALA 35 N 1.41 0.62 0.07 2.13 0.00 -0.22 -0.47 121.76 125.29 1u1z s ALA 35 Ca -0.01 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 1u1z s ALA 35 Cb -0.13 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 1u1z s ALA 35 CO -0.05 -0.70 0.12 1.52 0.00 0.00 0.00 175.76 176.66 1u1z s TYR 36 N -4.06 0.24 -0.11 0.00 1.13 -0.15 0.16 117.35 114.56 1u1z s TYR 36 Ca 0.32 -0.66 -0.00 0.00 -1.41 0.00 0.00 57.07 55.32 1u1z s TYR 36 Cb 0.04 -0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.77 1u1z s TYR 36 CO 0.11 -0.47 -0.09 0.21 -2.51 0.00 0.00 175.55 172.81 1u1z s LYS 37 N -3.56 1.62 -0.08 -3.49 2.36 0.37 -1.69 119.74 115.28 1u1z s LYS 37 Ca 0.03 -0.29 -0.30 0.00 -2.55 0.00 0.00 55.97 52.86 1u1z s LYS 37 Cb 0.04 -1.63 -0.03 0.00 -1.05 0.00 0.00 37.83 35.16 1u1z s LYS 37 CO -0.09 -0.25 1.19 -0.80 1.55 0.00 0.00 175.35 176.95 1u1z s ASN 38 N 1.63 7.05 -0.40 1.43 0.01 -1.26 -1.17 114.94 122.23 1u1z s ASN 38 Ca 0.04 1.77 -0.17 0.00 -0.71 0.00 0.00 52.86 53.79 1u1z s ASN 38 Cb -0.13 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1u1z s ASN 38 CO -0.08 -0.59 0.43 -0.69 -1.51 0.00 0.00 177.10 174.66 1u1z s VAL 39 N 2.36 5.10 0.05 1.60 1.01 -0.54 -4.96 120.40 125.02 1u1z s VAL 39 Ca 0.55 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1u1z s VAL 39 Cb -0.24 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1u1z s VAL 39 CO 0.20 -0.33 -0.23 -0.55 0.00 0.00 0.00 175.10 174.19 1u1z s SER 40 N 1.79 3.44 0.61 3.32 0.15 -1.26 0.10 113.70 121.85 1u1z s SER 40 Ca 0.13 -0.53 0.38 0.00 0.70 0.00 0.00 55.95 56.62 1u1z s SER 40 Cb -0.17 -0.42 1.97 0.00 -1.71 0.00 0.00 66.02 65.70 1u1z s SER 40 CO 0.13 0.25 2.23 -0.29 1.20 0.00 0.00 173.24 176.76 1u1z h ILE 41 N 4.09 0.16 -0.04 6.45 6.09 -1.95 -3.10 117.51 129.21 1u1z h ILE 41 Ca -0.47 -0.21 -0.10 0.00 -1.37 0.00 0.00 64.86 62.71 1u1z h ILE 41 Cb 1.15 1.17 -0.04 0.00 0.47 0.00 0.00 36.82 39.57 1u1z h ILE 41 CO 0.45 0.02 -0.14 -3.20 -3.07 0.00 0.00 178.15 172.21 1u1z n ASN 42 N -3.26 5.37 -4.29 2.19 5.15 -1.26 -4.83 115.26 114.32 1u1z n ASN 42 Ca -0.02 -2.48 -0.29 0.00 -0.60 0.00 0.00 54.58 51.19 1u1z n ASN 42 Cb 0.15 -1.25 -0.15 0.00 -0.53 0.00 0.00 39.78 38.00 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 0.32 1.85 0.61 1.20 2.02 -1.17 -5.05 118.70 118.47 1u1z s GLU 43 Ca 0.30 -0.94 0.28 0.00 0.02 0.00 0.00 54.97 54.63 1u1z s GLU 43 Cb 0.15 -1.87 1.39 0.00 0.10 0.00 0.00 34.13 33.90 1u1z s GLU 43 CO -0.01 0.50 1.80 -1.00 0.02 0.00 0.00 175.26 176.57 1u1z h PRO 44 N 5.26 0.00 0.00 0.39 0.13 -1.93 -2.84 132.00 133.00 1u1z h PRO 44 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1u1z h PRO 44 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1u1z h PRO 44 CO 0.46 0.00 -0.93 0.27 -0.23 0.00 0.00 178.00 177.57 1u1z h PHE 45 N 0.00 0.00 -0.69 1.56 -5.15 -1.96 -3.38 116.94 107.32 1u1z h PHE 45 Ca 0.21 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 58.04 1u1z h PHE 45 Cb 1.34 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.46 1u1z h PHE 45 CO 0.00 0.49 0.39 0.74 -2.00 0.00 0.00 178.31 177.93 1u1z h PHE 46 N 0.00 0.72 -0.73 6.09 0.05 -1.78 -1.26 116.94 120.03 1u1z h PHE 46 Ca -0.07 0.03 0.20 0.00 3.82 0.00 0.00 57.97 61.94 1u1z h PHE 46 Cb 1.44 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 39.14 1u1z h PHE 46 CO 0.00 0.34 0.52 -0.91 -0.18 0.00 0.00 178.31 178.08 1u1z h ASN 47 N 0.72 0.06 -0.01 2.17 4.21 -1.77 -1.43 115.58 119.52 1u1z h ASN 47 Ca 0.31 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1u1z h ASN 47 Cb 0.19 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1u1z h ASN 47 CO -0.18 0.03 -0.54 0.61 -1.29 0.00 0.00 177.43 176.06 1u1z n GLY 48 N -1.65 -0.14 2.37 2.83 0.00 -0.55 -3.45 105.19 104.59 1u1z n GLY 48 Ca 0.14 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.30 -1.24 -4.27 1.61 -0.00 -0.54 -4.58 115.22 105.89 1u1z n HIS 49 Ca 0.08 -3.05 -0.15 0.00 -0.00 0.00 0.00 57.72 54.60 1u1z n HIS 49 Cb 0.42 0.24 -0.10 0.00 -0.00 0.00 0.00 29.99 30.55 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 1.34 0.10 1.57 0.40 0.16 -1.85 117.98 119.29 1u1z s PHE 50 Ca 0.34 -0.90 -0.34 0.00 -0.60 0.00 0.00 56.93 55.43 1u1z s PHE 50 Cb 0.13 -0.74 -0.13 0.00 0.51 0.00 0.00 43.02 42.79 1u1z s PHE 50 CO -0.15 -0.06 1.68 -2.30 0.70 0.00 0.00 175.22 175.09 1u1z n PRO 51 N -0.28 2.26 -0.91 0.24 -0.02 -1.22 -1.11 135.00 133.95 1u1z n PRO 51 Ca -0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1u1z n PRO 51 Cb 0.63 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 4.39 -0.99 -2.99 -0.52 1.02 -1.26 -4.85 120.64 115.45 1u1z n GLU 52 Ca 0.18 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1u1z n GLU 52 Cb 0.30 -4.22 -0.02 0.00 -0.02 0.00 0.00 31.44 27.48 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 -2.24 -2.56 -2.12 -0.32 8.25 -0.27 -5.12 115.22 110.84 1u1z n HIS 53 Ca 0.00 -2.22 -0.43 0.00 -0.26 0.00 0.00 57.72 54.81 1u1z n HIS 53 Cb 0.25 0.96 -0.02 0.00 1.12 0.00 0.00 29.99 32.29 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 0.39 3.65 0.00 -0.41 0.04 -1.22 -0.67 135.00 136.78 1u1z s PRO 54 Ca 0.32 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1u1z s PRO 54 Cb 0.07 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1u1z s PRO 54 CO -0.13 -1.47 0.00 -0.89 0.04 0.00 0.00 177.00 174.55 1u1z n ILE 55 N 6.76 0.00 -4.01 0.56 5.41 -0.77 -4.52 119.36 122.79 1u1z n ILE 55 Ca 0.19 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.60 1u1z n ILE 55 Cb 0.46 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.25 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 4.19 3.30 0.35 0.38 0.02 -1.26 -4.55 135.00 137.42 1u1z s PRO 57 Ca 0.00 -0.67 0.12 0.00 0.02 0.00 0.00 61.00 60.47 1u1z s PRO 57 Cb 0.00 -2.90 0.94 0.00 0.02 0.00 0.00 34.50 32.56 1u1z s PRO 57 CO 0.00 -0.17 1.75 0.78 -0.33 0.00 0.00 177.00 179.03 1u1z h GLY 58 N 7.98 1.64 1.89 0.52 0.00 -2.00 0.33 103.07 113.41 1u1z h GLY 58 Ca -0.41 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1u1z h GLY 58 CO 0.61 -0.17 -0.08 -0.39 0.00 0.00 0.00 176.54 176.50 1u1z h VAL 59 N 0.55 1.12 -0.17 4.60 -1.51 -2.02 -0.58 116.25 118.24 1u1z h VAL 59 Ca 0.61 -0.52 -0.11 0.00 -1.23 0.00 0.00 66.70 65.46 1u1z h VAL 59 Cb 1.27 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1u1z h VAL 59 CO -0.39 0.16 -0.36 -0.07 -1.23 0.00 0.00 177.57 175.68 1u1z h LEU 60 N 0.14 0.37 -0.82 4.19 3.38 -0.80 -1.29 115.31 120.49 1u1z h LEU 60 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1u1z h LEU 60 Cb 0.24 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1u1z h LEU 60 CO 0.01 0.71 0.47 0.40 0.09 0.00 0.00 178.44 180.12 1u1z h ILE 61 N 0.30 1.24 0.13 1.22 2.04 -0.81 0.22 117.51 121.86 1u1z h ILE 61 Ca 0.03 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1u1z h ILE 61 Cb 0.78 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1u1z h ILE 61 CO 0.06 0.25 -0.12 0.40 0.00 0.00 0.00 178.15 178.75 1u1z h ILE 62 N 1.13 0.74 -0.52 -0.67 2.04 -0.90 -2.47 117.51 116.86 1u1z h ILE 62 Ca 0.29 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.24 1u1z h ILE 62 Cb -0.01 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1u1z h ILE 62 CO -0.05 0.00 0.09 -0.08 0.00 0.00 0.00 178.15 178.11 1u1z h GLU 63 N -0.26 0.22 -0.97 2.37 4.57 -0.64 -0.33 114.58 119.54 1u1z h GLU 63 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1u1z h GLU 63 Cb 0.25 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1u1z h GLU 63 CO -0.02 0.14 0.00 0.00 -1.18 0.00 0.00 179.01 177.95 1u1z n ALA 64 N -2.56 1.15 0.00 2.92 0.00 0.74 -1.14 120.51 121.61 1u1z n ALA 64 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1u1z n ALA 64 Cb 0.26 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.71 0.00 -0.20 0.00 0.00 -0.13 -2.13 120.51 118.76 1u1z n ALA 66 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1u1z n ALA 66 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 0.99 -0.33 0.00 4.20 -1.39 -1.11 115.11 117.47 1u1z h GLN 67 Ca 0.00 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 1u1z h GLN 67 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1u1z h GLN 67 CO 0.00 0.88 -0.33 0.00 -0.67 0.00 0.00 178.83 178.71 1u1z h ALA 68 N 1.22 0.78 -0.58 3.87 0.00 -1.69 -2.76 119.26 120.10 1u1z h ALA 68 Ca 0.20 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u1z h ALA 68 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1u1z h ALA 68 CO -0.00 0.65 0.38 0.00 0.00 0.00 0.00 179.25 180.28 1u1z h ALA 69 N 1.00 0.74 -0.15 0.00 0.00 -1.74 -1.73 119.26 117.38 1u1z h ALA 69 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u1z h ALA 69 Cb 0.87 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1u1z h ALA 69 CO 0.08 0.17 -0.14 0.78 0.00 0.00 0.00 179.25 180.14 1u1z h GLY 70 N 0.79 -0.04 0.46 0.00 0.00 -0.98 0.27 103.07 103.57 1u1z h GLY 70 Ca 0.21 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.81 1u1z h GLY 70 CO -0.05 -0.14 0.35 -2.22 0.00 0.00 0.00 176.54 174.48 1u1z h ILE 71 N -0.16 0.84 -0.28 2.60 2.04 -1.20 -0.71 117.51 120.64 1u1z h ILE 71 Ca 0.10 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1u1z h ILE 71 Cb 0.30 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1u1z h ILE 71 CO -0.25 0.11 0.11 0.25 0.00 0.00 0.00 178.15 178.37 1u1z h LEU 72 N 0.59 0.14 -0.43 1.44 5.85 -0.28 -1.13 115.31 121.48 1u1z h LEU 72 Ca 0.35 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.18 1u1z h LEU 72 Cb 0.37 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1u1z h LEU 72 CO -0.27 0.11 -0.04 1.23 -0.34 0.00 0.00 178.44 179.13 1u1z h GLY 73 N 0.24 0.39 0.82 3.75 0.00 0.92 -2.73 103.07 106.45 1u1z h GLY 73 Ca 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1u1z h GLY 73 CO -0.12 -0.13 0.02 0.74 0.00 0.00 0.00 176.54 177.05 1u1z h PHE 74 N 0.06 0.32 0.00 5.60 -1.00 -0.96 -3.23 116.94 117.74 1u1z h PHE 74 Ca 0.21 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1u1z h PHE 74 Cb 0.32 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1u1z h PHE 74 CO -0.32 0.48 0.00 1.63 -1.61 0.00 0.00 178.31 178.49 1u1z n LYS 75 N -4.75 0.00 0.00 1.51 4.76 -0.46 -1.68 118.16 117.54 1u1z n LYS 75 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1u1z n LYS 75 Cb 0.20 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.41 0.00 -3.62 -0.35 4.77 -1.22 -4.65 117.00 113.34 1u1z n LEU 77 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1u1z n LEU 77 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1u1z n LEU 77 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 1u1z n ASP 78 N 0.00 -4.05 -4.66 -1.43 9.92 -0.94 -4.88 116.55 110.51 1u1z n ASP 78 Ca 0.00 -0.58 -0.43 0.00 -0.53 0.00 0.00 54.79 53.25 1u1z n ASP 78 Cb 0.00 -3.31 -0.02 0.00 -0.64 0.00 0.00 41.12 37.15 1u1z n ASP 78 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1u1z s VAL 79 N -3.09 4.39 0.35 2.53 1.01 -0.68 -4.99 120.40 119.93 1u1z s VAL 79 Ca 0.52 1.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.90 1u1z s VAL 79 Cb -0.27 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1u1z s VAL 79 CO 0.64 -0.14 1.34 -1.59 0.00 0.00 0.00 175.10 175.35 1u1z s LYS 80 N 3.32 4.24 0.00 2.72 -2.85 -1.26 -4.77 119.74 121.14 1u1z s LYS 80 Ca 0.52 2.28 0.00 0.00 -1.00 0.00 0.00 55.97 57.77 1u1z s LYS 80 Cb -0.20 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 1u1z s LYS 80 CO 0.13 -0.31 0.00 -2.30 0.10 0.00 0.00 175.35 172.97 1u1z n PRO 81 N 0.61 1.05 -0.36 1.78 -0.02 -1.26 -4.21 135.00 132.58 1u1z n PRO 81 Ca 0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1u1z n PRO 81 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.85 1u1z n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u1z n ALA 82 N -0.80 0.20 0.20 3.55 0.00 0.75 -4.62 120.51 119.80 1u1z n ALA 82 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.36 1u1z n ALA 82 Cb 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 1u1z n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u1z n ASP 83 N 1.78 1.29 0.00 0.00 4.64 -1.26 -4.95 116.55 118.05 1u1z n ASP 83 Ca 0.16 -0.25 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 1u1z n ASP 83 Cb 0.02 1.49 0.00 0.00 -1.04 0.00 0.00 41.12 41.59 1u1z n ASP 83 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1u1z n GLY 84 N 1.55 0.60 3.81 0.27 0.00 -1.26 -5.01 105.19 105.15 1u1z n GLY 84 Ca -0.01 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1u1z n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1z s THR 85 N -2.00 5.02 -0.04 2.61 2.01 -1.26 0.04 115.64 122.02 1u1z s THR 85 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1u1z s THR 85 Cb 0.00 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1u1z s THR 85 CO 0.00 0.55 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.16 1u1z s LEU 86 N -1.16 1.69 -1.07 4.42 2.96 0.20 -4.79 118.68 120.93 1u1z s LEU 86 Ca 0.17 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 1u1z s LEU 86 Cb -0.12 -0.64 0.10 0.00 0.50 0.00 0.00 46.19 46.03 1u1z s LEU 86 CO 0.06 0.05 1.39 -0.31 -1.32 0.00 0.00 176.35 176.22 1u1z s TYR 87 N 0.41 2.94 0.02 5.38 1.51 -1.26 -1.66 117.35 124.69 1u1z s TYR 87 Ca -0.08 -1.39 -0.30 0.00 -1.01 0.00 0.00 57.07 54.29 1u1z s TYR 87 Cb -0.12 -4.51 -0.08 0.00 -0.11 0.00 0.00 41.96 37.15 1u1z s TYR 87 CO 0.01 -1.67 1.74 -0.47 -1.11 0.00 0.00 175.55 174.05 1u1z s TYR 88 N 3.50 1.96 -0.43 2.71 5.04 -0.50 -4.70 117.35 124.92 1u1z s TYR 88 Ca 0.42 0.06 -0.28 0.00 -2.44 0.00 0.00 57.07 54.84 1u1z s TYR 88 Cb -0.01 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.26 1u1z s TYR 88 CO -0.05 -4.33 1.72 0.12 -1.34 0.00 0.00 175.55 171.67 1u1z s PHE 89 N 3.60 1.91 -1.20 4.97 5.36 -1.26 -0.55 117.98 130.81 1u1z s PHE 89 Ca 0.78 0.67 0.11 0.00 -0.96 0.00 0.00 56.93 57.52 1u1z s PHE 89 Cb -0.38 -4.17 0.05 0.00 -0.34 0.00 0.00 43.02 38.18 1u1z s PHE 89 CO 0.34 -2.54 0.76 1.33 -1.46 0.00 0.00 175.22 173.65 1u1z n VAL 90 N 7.27 0.00 0.00 3.12 0.24 -0.34 -4.98 118.33 123.64 1u1z n VAL 90 Ca 0.20 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1u1z n VAL 90 Cb 0.49 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 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 0.73 0.72 3.51 7.63 0.00 -1.13 -5.01 105.19 111.64 1u1z n GLY 91 Ca 0.06 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -0.50 0.07 1.61 0.15 -1.26 -1.42 113.70 112.35 1u1z s SER 92 Ca 0.00 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1u1z s SER 92 Cb 0.00 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1u1z s SER 92 CO 0.00 -1.03 -0.07 -1.81 1.20 0.00 0.00 173.24 171.53 1u1z s ASP 93 N -2.78 0.96 -1.56 5.45 1.01 -0.94 -4.90 116.67 113.93 1u1z s ASP 93 Ca 0.03 -0.81 -0.08 0.00 0.71 0.00 0.00 52.55 52.40 1u1z s ASP 93 Cb -0.02 0.08 0.07 0.00 1.01 0.00 0.00 42.92 44.05 1u1z s ASP 93 CO -0.09 -0.37 0.48 0.29 0.21 0.00 0.00 175.17 175.70 1u1z n LYS 94 N 0.60 -2.73 -2.60 8.23 5.02 -1.26 -1.90 118.16 123.52 1u1z n LYS 94 Ca -0.17 0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 1u1z n LYS 94 Cb 0.58 -4.57 -0.02 0.00 -0.02 0.00 0.00 35.03 31.00 1u1z n LYS 94 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1u1z s LEU 95 N -7.16 4.18 -0.03 -0.35 2.96 -1.26 -4.09 118.68 112.94 1u1z s LEU 95 Ca 0.29 1.54 -0.03 0.00 -0.22 0.00 0.00 54.13 55.72 1u1z s LEU 95 Cb -0.16 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1u1z s LEU 95 CO 0.93 -0.60 0.09 -0.13 -1.32 0.00 0.00 176.35 175.31 1u1z s ARG 96 N 2.73 0.09 -0.12 1.98 3.00 0.02 -5.01 118.95 121.65 1u1z s ARG 96 Ca 0.49 0.14 0.01 0.00 0.00 0.00 0.00 55.73 56.37 1u1z s ARG 96 Cb -0.18 0.02 -0.01 0.00 0.00 0.00 0.00 34.95 34.78 1u1z s ARG 96 CO 0.13 -0.03 -0.17 -0.06 0.00 0.00 0.00 175.30 175.18 1u1z s PHE 97 N 0.15 2.72 -0.82 -0.53 0.40 -1.26 -1.22 117.98 117.42 1u1z s PHE 97 Ca -0.01 -0.73 0.15 0.00 -0.60 0.00 0.00 56.93 55.73 1u1z s PHE 97 Cb -0.02 -1.79 -0.13 0.00 0.51 0.00 0.00 43.02 41.59 1u1z s PHE 97 CO -0.00 -0.25 0.66 0.54 0.70 0.00 0.00 175.22 176.87 1u1z n ARG 98 N 3.44 2.08 0.00 0.44 1.74 0.11 -4.98 116.66 119.50 1u1z n ARG 98 Ca -0.18 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1u1z n ARG 98 Cb 0.53 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 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 -1.13 0.00 -1.82 5.56 10.64 -1.24 -4.95 117.38 124.44 1u1z n GLN 99 Ca 0.03 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.84 1u1z n GLN 99 Cb 0.25 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.68 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 -1.37 2.68 -0.13 2.61 0.04 -1.26 -4.80 135.00 132.77 1u1z s PRO 100 Ca 0.00 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1u1z s PRO 100 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1u1z s PRO 100 CO 0.00 -1.45 0.07 0.08 0.04 0.00 0.00 177.00 175.74 1u1z s VAL 101 N -1.59 4.86 0.30 -0.36 1.01 -1.26 -5.11 120.40 118.25 1u1z s VAL 101 Ca 0.79 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1u1z s VAL 101 Cb -0.33 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 1u1z s VAL 101 CO 0.37 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 175.23 1u1z s LEU 102 N -0.48 2.48 0.39 3.92 1.43 -1.26 -4.61 118.68 120.55 1u1z s LEU 102 Ca 0.10 -1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 51.72 1u1z s LEU 102 Cb -0.12 -0.65 -0.11 0.00 0.03 0.00 0.00 46.19 45.34 1u1z s LEU 102 CO 0.02 -0.37 1.10 -2.65 0.23 0.00 0.00 176.35 174.68 1u1z n PRO 103 N -0.63 1.58 0.00 1.29 -0.02 -1.26 -1.25 135.00 134.71 1u1z n PRO 103 Ca -0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1u1z n PRO 103 Cb 0.64 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.05 3.29 3.80 -1.23 0.00 0.11 -4.95 105.19 107.27 1u1z n GLY 104 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.50 5.55 -0.37 1.61 -0.00 -0.38 -4.86 116.67 117.72 1u1z s ASP 105 Ca 0.00 1.80 -0.01 0.00 -0.00 0.00 0.00 52.55 54.34 1u1z s ASP 105 Cb 0.00 -2.53 0.10 0.00 -0.00 0.00 0.00 42.92 40.49 1u1z s ASP 105 CO 0.00 -1.32 0.13 -1.58 -0.00 0.00 0.00 175.17 172.40 1u1z s GLN 106 N -4.30 1.97 -0.10 8.23 0.74 -1.26 -1.46 119.66 123.48 1u1z s GLN 106 Ca 0.63 -1.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.01 1u1z s GLN 106 Cb -0.16 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1u1z s GLN 106 CO 0.42 -0.96 1.37 -1.17 -0.55 0.00 0.00 175.29 174.40 1u1z s LEU 107 N 1.11 4.25 -0.22 3.68 2.96 -0.32 -4.58 118.68 125.57 1u1z s LEU 107 Ca 0.06 1.91 -0.14 0.00 -0.22 0.00 0.00 54.13 55.74 1u1z s LEU 107 Cb -0.21 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1u1z s LEU 107 CO -0.04 -0.77 0.33 -1.10 -1.32 0.00 0.00 176.35 173.44 1u1z s GLN 108 N 3.29 4.13 -0.20 1.98 -0.21 0.11 -0.48 119.66 128.29 1u1z s GLN 108 Ca 0.61 0.06 -0.06 0.00 0.02 0.00 0.00 55.36 55.99 1u1z s GLN 108 Cb -0.26 -3.55 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 1u1z s GLN 108 CO 0.21 -0.03 0.02 -0.51 -2.12 0.00 0.00 175.29 172.86 1u1z s LEU 109 N 1.31 3.41 -0.05 2.90 1.43 0.43 -0.59 118.68 127.52 1u1z s LEU 109 Ca 0.16 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1u1z s LEU 109 Cb -0.14 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1u1z s LEU 109 CO 0.07 0.09 -0.20 -1.00 0.23 0.00 0.00 176.35 175.54 1u1z s HIS 110 N 0.87 1.98 -0.02 0.29 3.76 0.73 -1.06 115.29 121.83 1u1z s HIS 110 Ca 0.02 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 1u1z s HIS 110 Cb -0.14 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.26 1u1z s HIS 110 CO 0.02 -0.19 0.02 0.00 -0.85 0.00 0.00 174.74 173.75 1u1z s ALA 111 N -0.03 0.12 -0.14 -1.40 0.00 -1.07 -0.95 121.76 118.29 1u1z s ALA 111 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1u1z s ALA 111 Cb -0.12 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1u1z s ALA 111 CO 0.03 -0.10 -0.14 0.21 0.00 0.00 0.00 175.76 175.76 1u1z s LYS 112 N 1.04 2.21 0.25 0.00 2.20 0.65 -1.52 119.74 124.58 1u1z s LYS 112 Ca -0.09 -0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 1u1z s LYS 112 Cb -0.13 -2.03 -0.13 0.00 -1.51 0.00 0.00 37.83 34.03 1u1z s LYS 112 CO -0.03 -0.22 1.42 0.34 -0.36 0.00 0.00 175.35 176.50 1u1z n PHE 113 N 4.72 2.25 -0.03 4.03 7.35 -0.02 -0.64 117.46 135.11 1u1z n PHE 113 Ca -0.17 0.42 -0.08 0.00 -0.76 0.00 0.00 57.45 56.87 1u1z n PHE 113 Cb 0.50 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 37.83 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 1.82 1.09 -3.56 -2.13 5.41 -0.74 -4.81 119.36 116.44 1u1z n ILE 114 Ca 0.11 0.11 -0.07 0.00 1.00 0.00 0.00 62.75 63.90 1u1z n ILE 114 Cb 0.32 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 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 -6.02 -0.30 -0.04 4.38 1.04 -1.15 -5.03 113.70 106.57 1u1z s SER 115 Ca -0.15 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.20 1u1z s SER 115 Cb 0.04 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1u1z s SER 115 CO 0.20 -0.64 0.00 0.54 0.98 0.00 0.00 173.24 174.33 1u1z s VAL 116 N -3.08 0.23 -0.67 5.02 0.11 -1.26 -1.42 120.40 119.33 1u1z s VAL 116 Ca 0.07 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1u1z s VAL 116 Cb -0.01 -0.35 0.17 0.00 -1.53 0.00 0.00 36.38 34.66 1u1z s VAL 116 CO -0.06 0.18 0.49 -0.75 -3.33 0.00 0.00 175.10 171.63 1u1z s LYS 117 N 1.36 2.64 3.98 1.54 2.47 -0.47 -4.97 119.74 126.29 1u1z s LYS 117 Ca -0.05 -2.74 0.00 0.00 -1.56 0.00 0.00 55.97 51.62 1u1z s LYS 117 Cb -0.13 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 1u1z s LYS 117 CO -0.02 -1.19 0.00 0.54 0.16 0.00 0.00 175.35 174.83 1u1z n ARG 118 N 3.13 0.00 -0.00 4.03 1.74 -1.26 -2.22 116.66 122.08 1u1z n ARG 118 Ca 0.11 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.28 1u1z n ARG 118 Cb 0.37 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.69 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 7.65 0.82 -4.55 0.55 3.41 -1.26 -4.89 113.62 115.35 1u1z n SER 119 Ca 0.00 -0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 1u1z n SER 119 Cb 0.00 1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.91 4.83 0.14 -1.33 -1.09 -0.94 -0.87 121.20 119.03 1u1z s ILE 120 Ca 0.04 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.94 1u1z s ILE 120 Cb 0.14 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1u1z s ILE 120 CO 0.79 -0.46 0.23 0.26 -1.23 0.00 0.00 174.94 174.53 1u1z s TRP 121 N 2.85 3.40 -0.05 3.97 0.52 0.13 -1.36 118.94 128.40 1u1z s TRP 121 Ca 0.25 0.10 0.02 0.00 0.02 0.00 0.00 56.10 56.49 1u1z s TRP 121 Cb -0.14 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1u1z s TRP 121 CO 0.17 0.53 -0.07 0.15 0.02 0.00 0.00 176.95 177.74 1u1z s LYS 122 N -3.07 1.16 0.10 4.98 1.02 -0.50 -0.37 119.74 123.05 1u1z s LYS 122 Ca 0.34 -0.22 0.08 0.00 0.02 0.00 0.00 55.97 56.18 1u1z s LYS 122 Cb -0.11 -1.05 -0.03 0.00 -0.52 0.00 0.00 37.83 36.11 1u1z s LYS 122 CO 0.27 -0.04 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.39 1u1z s PHE 123 N 0.82 1.77 -0.36 3.18 0.40 0.32 -1.78 117.98 122.33 1u1z s PHE 123 Ca -0.12 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.66 1u1z s PHE 123 Cb -0.15 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.42 1u1z s PHE 123 CO 0.01 0.20 0.23 0.34 0.70 0.00 0.00 175.22 176.71 1u1z s ASP 124 N -1.93 5.87 0.03 1.36 2.15 0.18 -1.24 116.67 123.10 1u1z s ASP 124 Ca 0.06 -0.72 0.07 0.00 0.43 0.00 0.00 52.55 52.40 1u1z s ASP 124 Cb -0.10 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 1u1z s ASP 124 CO 0.04 -0.32 -0.20 0.00 -0.17 0.00 0.00 175.17 174.52 1u1z s HIS 126 N -0.87 0.27 -0.00 0.00 3.76 -0.12 -1.39 115.29 116.93 1u1z s HIS 126 Ca 0.13 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1u1z s HIS 126 Cb -0.10 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 1u1z s HIS 126 CO 0.04 -0.26 -0.10 0.00 -0.85 0.00 0.00 174.74 173.57 1u1z s ALA 127 N -2.05 0.80 0.03 -1.40 0.00 0.13 -0.20 121.76 119.07 1u1z s ALA 127 Ca -0.10 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 1u1z s ALA 127 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1u1z s ALA 127 CO -0.03 0.19 0.16 0.95 0.00 0.00 0.00 175.76 177.03 1u1z s THR 128 N -0.30 0.11 -0.12 0.00 -4.23 0.24 -1.83 115.64 109.52 1u1z s THR 128 Ca 0.03 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1u1z s THR 128 Cb -0.04 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 73.03 1u1z s THR 128 CO -0.00 -0.49 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.76 1u1z s VAL 129 N -2.28 1.46 -1.48 2.29 1.01 -0.47 0.06 120.40 120.99 1u1z s VAL 129 Ca -0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1u1z s VAL 129 Cb -0.03 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.06 1u1z s VAL 129 CO -0.03 0.44 0.96 0.47 0.00 0.00 0.00 175.10 176.94 1u1z n ASP 130 N 4.42 -5.28 0.00 3.32 8.00 -1.26 -0.92 116.55 124.83 1u1z n ASP 130 Ca -0.18 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1u1z n ASP 130 Cb 0.51 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -2.80 0.00 -4.82 -2.24 9.92 -1.26 -4.97 116.55 110.38 1u1z n ASP 131 Ca 0.02 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.89 1u1z n ASP 131 Cb 0.54 -1.54 -0.06 0.00 -0.64 0.00 0.00 41.12 39.43 1u1z n ASP 131 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1u1z s LYS 132 N -0.53 4.03 0.53 -1.24 1.02 -0.09 -5.02 119.74 118.43 1u1z s LYS 132 Ca 0.00 0.52 -0.22 0.00 0.02 0.00 0.00 55.97 56.29 1u1z s LYS 132 Cb 0.00 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1u1z s LYS 132 CO 0.00 0.65 1.25 -0.35 -0.92 0.00 0.00 175.35 175.98 1u1z n PRO 133 N 1.87 1.56 0.00 -1.68 -0.04 -1.26 -1.37 135.00 134.08 1u1z n PRO 133 Ca -0.12 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1u1z n PRO 133 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1u1z n PRO 133 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1u1z n VAL 134 N -1.00 0.00 -3.68 0.52 0.31 -0.76 -4.60 118.33 109.12 1u1z n VAL 134 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1u1z n VAL 134 Cb 0.44 -0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 33.22 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 -1.73 -0.66 -0.10 0.00 1.04 -0.36 -0.70 113.70 111.18 1u1z s SER 136 Ca -0.08 1.07 -0.33 0.00 0.48 0.00 0.00 55.95 57.09 1u1z s SER 136 Cb -0.02 1.03 0.13 0.00 0.10 0.00 0.00 66.02 67.26 1u1z s SER 136 CO 0.01 -0.38 1.18 0.00 0.98 0.00 0.00 173.24 175.03 1u1z s ALA 137 N -0.27 -2.06 -0.32 5.32 0.00 -0.49 -0.80 121.76 123.15 1u1z s ALA 137 Ca -0.05 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 1u1z s ALA 137 Cb -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1u1z s ALA 137 CO 0.04 -0.75 0.19 -1.21 0.00 0.00 0.00 175.76 174.04 1u1z s GLU 138 N -2.55 3.41 -0.26 0.00 2.02 -0.80 -1.02 118.70 119.49 1u1z s GLU 138 Ca 0.10 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 1u1z s GLU 138 Cb 0.00 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 1u1z s GLU 138 CO -0.05 -0.43 0.39 0.42 0.02 0.00 0.00 175.26 175.62 1u1z s ILE 139 N 1.66 5.16 -0.22 -1.63 -1.09 -0.37 -2.21 121.20 122.50 1u1z s ILE 139 Ca 0.05 0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 59.02 1u1z s ILE 139 Cb -0.17 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1u1z s ILE 139 CO 0.08 0.15 0.07 -0.63 -1.23 0.00 0.00 174.94 173.39 1u1z s ILE 140 N 2.06 4.58 0.27 2.92 1.01 -0.51 -0.52 121.20 131.01 1u1z s ILE 140 Ca 0.16 -0.09 0.12 0.00 0.00 0.00 0.00 60.65 60.83 1u1z s ILE 140 Cb -0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1u1z s ILE 140 CO 0.10 0.38 -0.20 0.00 0.00 0.00 0.00 174.94 175.22 1u1z s ALA 142 N -2.51 1.99 -0.39 0.00 0.00 0.28 0.23 121.76 121.36 1u1z s ALA 142 Ca 0.29 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1u1z s ALA 142 Cb -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1u1z s ALA 142 CO 0.14 -1.00 1.53 -2.00 0.00 0.00 0.00 175.76 174.43 1u1z s GLU 143 N 1.39 3.51 0.34 0.00 2.12 -0.05 -1.41 118.70 124.60 1u1z s GLU 143 Ca -0.04 1.09 0.03 0.00 0.36 0.00 0.00 54.97 56.41 1u1z s GLU 143 Cb -0.18 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 1u1z s GLU 143 CO -0.07 -1.65 0.11 1.03 -0.54 0.00 0.00 175.26 174.14 1u1z s ARG 144 N 5.14 1.71 -0.14 4.30 1.81 -0.66 -4.92 118.95 126.19 1u1z s ARG 144 Ca 0.67 -1.99 -0.22 0.00 -1.72 0.00 0.00 55.73 52.47 1u1z s ARG 144 Cb -0.16 -0.54 -0.03 0.00 -0.45 0.00 0.00 34.95 33.77 1u1z s ARG 144 CO 0.33 -0.36 0.65 0.21 -0.68 0.00 0.00 175.30 175.45 1u1z s LYS 145 N -3.83 4.31 0.00 3.54 2.20 -1.26 -0.63 119.74 124.07 1u1z s LYS 145 Ca 0.32 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1u1z s LYS 145 Cb 0.06 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1u1z s LYS 145 CO 0.15 -0.10 0.33 -0.11 -0.36 0.00 0.00 175.35 175.26