#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4h h GLY 3 N 0.00 1.27 0.41 3.14 0.00 0.32 -1.51 103.07 106.70 1u4h h GLY 3 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.35 1u4h h GLY 3 CO 0.00 -0.24 0.42 0.00 0.00 0.00 0.00 176.54 176.72 1u4h h THR 4 N 0.33 0.83 -0.31 4.70 1.03 -1.58 -0.92 112.91 116.98 1u4h h THR 4 Ca 0.49 -0.23 -0.18 0.00 -0.01 0.00 0.00 66.41 66.48 1u4h h THR 4 Cb 0.88 0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1u4h h THR 4 CO -0.53 0.12 -0.49 0.40 -0.01 0.00 0.00 175.52 175.01 1u4h h ILE 5 N 0.67 1.28 -0.26 0.00 1.08 -1.61 -2.39 117.51 116.28 1u4h h ILE 5 Ca 0.40 -1.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.17 1u4h h ILE 5 Cb 0.46 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 1u4h h ILE 5 CO -0.29 0.55 0.05 0.58 -0.69 0.00 0.00 178.15 178.34 1u4h h VAL 6 N 0.67 1.14 -0.39 1.67 2.07 -1.01 -0.69 116.25 119.71 1u4h h VAL 6 Ca 0.03 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1u4h h VAL 6 Cb 1.10 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1u4h h VAL 6 CO 0.11 0.17 0.19 1.23 0.02 0.00 0.00 177.57 179.29 1u4h h GLY 7 N 0.61 0.60 1.80 2.17 0.00 -0.87 -1.05 103.07 106.32 1u4h h GLY 7 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1u4h h GLY 7 CO -0.00 0.28 -0.15 -0.91 0.00 0.00 0.00 176.54 175.77 1u4h h THR 8 N 0.49 1.19 -0.43 4.70 1.35 -0.77 -2.47 112.91 116.97 1u4h h THR 8 Ca 0.13 -0.84 -0.12 0.00 -0.55 0.00 0.00 66.41 65.03 1u4h h THR 8 Cb 0.12 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1u4h h THR 8 CO -0.02 0.26 -0.22 -0.50 -0.25 0.00 0.00 175.52 174.80 1u4h h TRP 9 N 0.23 1.05 -0.52 4.73 6.55 -0.48 -0.18 115.95 127.34 1u4h h TRP 9 Ca 0.05 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1u4h h TRP 9 Cb 0.41 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.44 1u4h h TRP 9 CO 0.01 1.06 0.33 0.82 -1.05 0.00 0.00 178.44 179.61 1u4h h ILE 10 N 0.74 1.14 -0.42 1.49 1.08 -0.86 0.79 117.51 121.47 1u4h h ILE 10 Ca 0.10 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 1u4h h ILE 10 Cb 0.79 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 1u4h h ILE 10 CO 0.06 0.14 0.18 0.50 -0.69 0.00 0.00 178.15 178.35 1u4h h LYS 11 N 0.70 0.62 -0.92 2.37 3.64 -1.30 -1.75 116.57 119.93 1u4h h LYS 11 Ca 0.19 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1u4h h LYS 11 Cb -0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1u4h h LYS 11 CO -0.04 0.56 0.54 1.15 -2.27 0.00 0.00 179.45 179.38 1u4h h THR 12 N 0.53 1.26 -0.72 1.00 2.02 -0.58 -0.75 112.91 115.66 1u4h h THR 12 Ca 0.14 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1u4h h THR 12 Cb 0.16 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 1u4h h THR 12 CO -0.01 0.27 0.30 -0.07 0.37 0.00 0.00 175.52 176.38 1u4h h LEU 13 N 1.27 0.98 -0.65 2.58 3.38 -0.54 -1.22 115.31 121.10 1u4h h LEU 13 Ca 0.33 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1u4h h LEU 13 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1u4h h LEU 13 CO -0.06 0.87 -0.14 0.03 0.09 0.00 0.00 178.44 179.22 1u4h h ARG 14 N 1.05 0.90 0.00 1.13 3.08 -0.54 0.14 114.38 120.13 1u4h h ARG 14 Ca 0.24 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1u4h h ARG 14 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1u4h h ARG 14 CO -0.02 0.99 -0.42 -0.44 -1.07 0.00 0.00 179.97 179.00 1u4h h ASP 15 N 0.80 0.00 0.11 7.04 3.32 -0.71 -1.49 116.42 125.50 1u4h h ASP 15 Ca 0.12 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.81 1u4h h ASP 15 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1u4h h ASP 15 CO 0.05 0.42 -2.02 0.18 -1.72 0.00 0.00 179.24 176.15 1u4h n LEU 16 N -3.94 2.65 -0.02 1.55 4.77 -0.50 -4.70 117.00 116.82 1u4h n LEU 16 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1u4h n LEU 16 Cb 0.46 -1.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1u4h n LEU 16 CO 0.39 0.85 0.13 -1.22 -1.33 0.00 0.00 177.39 176.21 1u4h n TYR 17 N -3.49 0.00 0.00 -1.77 4.02 0.45 -5.10 117.16 111.28 1u4h n TYR 17 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1u4h n TYR 17 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 1u4h n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u4h n GLY 18 N 0.53 1.31 0.26 2.72 0.00 -0.56 -4.53 105.19 104.92 1u4h n GLY 18 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.28 1u4h n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u4h h ASN 19 N 0.00 0.41 -0.15 1.61 -0.26 -1.90 -2.85 115.58 112.44 1u4h h ASN 19 Ca 0.00 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1u4h h ASN 19 Cb 0.00 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1u4h h ASN 19 CO 0.00 0.50 -0.01 -0.78 -1.06 0.00 0.00 177.43 176.08 1u4h h ASP 20 N 0.42 0.26 -0.75 5.81 1.82 -1.97 0.64 116.42 122.65 1u4h h ASP 20 Ca 0.09 -0.32 -0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1u4h h ASP 20 Cb 0.33 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.23 1u4h h ASP 20 CO 0.01 0.52 0.45 0.58 -1.61 0.00 0.00 179.24 179.19 1u4h h VAL 21 N -0.00 1.21 -0.11 2.25 2.07 -1.78 -2.25 116.25 117.64 1u4h h VAL 21 Ca 0.04 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1u4h h VAL 21 Cb 0.39 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1u4h h VAL 21 CO 0.01 0.22 -0.08 0.58 0.02 0.00 0.00 177.57 178.32 1u4h h VAL 22 N 1.02 1.34 -0.92 2.57 2.07 -1.39 -1.37 116.25 119.57 1u4h h VAL 22 Ca 0.27 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1u4h h VAL 22 Cb -0.04 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1u4h h VAL 22 CO -0.05 0.34 0.60 0.44 0.02 0.00 0.00 177.57 178.91 1u4h h ASP 23 N -0.13 0.99 -0.41 0.57 3.32 -0.83 -0.43 116.42 119.51 1u4h h ASP 23 Ca 0.02 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1u4h h ASP 23 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1u4h h ASP 23 CO 0.02 0.68 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.72 1u4h h GLU 24 N 1.16 0.84 -0.77 3.56 4.39 -1.39 -1.71 114.58 120.65 1u4h h GLU 24 Ca 0.37 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1u4h h GLU 24 Cb 0.01 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1u4h h GLU 24 CO -0.12 0.99 0.31 0.77 -1.16 0.00 0.00 179.01 179.80 1u4h h SER 25 N 0.65 1.05 -0.61 1.42 0.02 -0.72 -0.49 113.55 114.88 1u4h h SER 25 Ca 0.09 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1u4h h SER 25 Cb 0.73 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1u4h h SER 25 CO 0.06 0.93 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.60 1u4h h LEU 26 N 1.12 1.06 -0.72 5.07 4.07 -0.94 -2.77 115.31 122.20 1u4h h LEU 26 Ca 0.26 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1u4h h LEU 26 Cb 0.21 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1u4h h LEU 26 CO -0.02 1.11 0.00 0.11 -1.08 0.00 0.00 178.44 178.57 1u4h h LYS 27 N 0.99 0.98 -0.09 1.13 1.57 -0.94 -0.85 116.57 119.36 1u4h h LYS 27 Ca 0.17 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1u4h h LYS 27 Cb 0.57 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1u4h h LYS 27 CO 0.03 0.96 0.28 0.66 -0.57 0.00 0.00 179.45 180.82 1u4h h SER 28 N 0.90 0.00 -0.43 0.86 4.64 -0.79 0.22 113.55 118.94 1u4h h SER 28 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1u4h h SER 28 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1u4h h SER 28 CO 0.03 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.32 1u4h n VAL 29 N -3.19 1.01 -0.62 0.95 0.24 -0.99 -4.96 118.33 110.76 1u4h n VAL 29 Ca -0.00 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1u4h n VAL 29 Cb 0.37 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1u4h n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u4h n GLY 30 N 0.76 0.68 3.91 7.63 0.00 0.77 -5.06 105.19 113.88 1u4h n GLY 30 Ca 0.15 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1u4h n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u4h s TRP 31 N -2.00 3.49 -0.06 1.61 0.52 -0.36 -4.99 118.94 117.15 1u4h s TRP 31 Ca 0.00 0.56 -0.26 0.00 0.02 0.00 0.00 56.10 56.42 1u4h s TRP 31 Cb 0.00 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 1u4h s TRP 31 CO 0.00 0.16 0.81 -1.21 0.02 0.00 0.00 176.95 176.73 1u4h s GLU 32 N -3.76 4.45 0.55 4.98 0.41 -1.26 -3.76 118.70 120.31 1u4h s GLU 32 Ca 0.43 1.08 0.37 0.00 -0.41 0.00 0.00 54.97 56.44 1u4h s GLU 32 Cb -0.10 -3.47 1.54 0.00 -1.78 0.00 0.00 34.13 30.32 1u4h s GLU 32 CO 0.32 -0.05 1.78 -1.35 -0.49 0.00 0.00 175.26 175.47 1u4h h PRO 33 N 6.88 0.00 -0.43 0.39 0.11 -1.89 0.41 132.00 137.45 1u4h h PRO 33 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1u4h h PRO 33 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1u4h h PRO 33 CO 0.77 0.00 0.01 -0.40 -0.21 0.00 0.00 178.00 178.17 1u4h n ASP 34 N -4.11 4.85 -4.54 -2.05 5.75 -1.26 -4.87 116.55 110.31 1u4h n ASP 34 Ca 0.26 -3.00 -0.43 0.00 -0.01 0.00 0.00 54.79 51.61 1u4h n ASP 34 Cb 1.28 -0.62 -0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1u4h n ASP 34 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1u4h n ARG 35 N 0.06 1.04 -3.68 0.11 0.63 0.14 -4.96 116.66 110.00 1u4h n ARG 35 Ca 0.25 0.37 -0.38 0.00 -0.92 0.00 0.00 57.85 57.18 1u4h n ARG 35 Cb 1.07 -1.75 -0.12 0.00 0.45 0.00 0.00 32.46 32.11 1u4h n ARG 35 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1u4h s VAL 36 N -1.23 4.59 -0.25 5.15 1.01 -1.26 -5.05 120.40 123.36 1u4h s VAL 36 Ca 0.62 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1u4h s VAL 36 Cb -0.65 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1u4h s VAL 36 CO 0.58 0.17 0.29 -0.63 0.00 0.00 0.00 175.10 175.51 1u4h s ILE 37 N 1.63 5.25 0.53 2.22 1.01 -1.26 -5.08 121.20 125.50 1u4h s ILE 37 Ca 0.05 0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 1u4h s ILE 37 Cb -0.16 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1u4h s ILE 37 CO 0.06 0.24 1.02 0.42 0.00 0.00 0.00 174.94 176.68 1u4h s THR 38 N 1.62 4.09 0.18 2.92 -4.23 -1.26 -4.80 115.64 114.16 1u4h s THR 38 Ca 0.12 1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 61.53 1u4h s THR 38 Cb -0.15 -3.53 0.11 0.00 1.34 0.00 0.00 72.50 70.27 1u4h s THR 38 CO 0.09 -0.48 1.62 -0.65 -0.54 0.00 0.00 174.62 174.65 1u4h h PRO 39 N 0.99 -0.15 -0.51 3.99 0.11 -1.98 -2.58 132.00 131.88 1u4h h PRO 39 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u4h h PRO 39 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1u4h h PRO 39 CO 0.59 -0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.56 1u4h n LEU 40 N -5.41 2.42 -4.77 2.35 4.77 -1.26 -2.26 117.00 112.85 1u4h n LEU 40 Ca 0.03 -1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 54.38 1u4h n LEU 40 Cb 0.32 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1u4h n LEU 40 CO 0.08 0.47 1.02 -1.61 -1.33 0.00 0.00 177.39 176.02 1u4h s GLU 41 N -1.63 4.31 -0.91 3.23 2.02 -0.97 -4.75 118.70 120.00 1u4h s GLU 41 Ca 0.25 2.28 -0.11 0.00 0.02 0.00 0.00 54.97 57.41 1u4h s GLU 41 Cb 0.15 -3.06 0.23 0.00 0.10 0.00 0.00 34.13 31.55 1u4h s GLU 41 CO 0.14 -0.27 0.86 0.34 0.02 0.00 0.00 175.26 176.34 1u4h s ASP 42 N -0.30 6.83 -0.00 -0.19 2.15 -1.26 0.63 116.67 124.52 1u4h s ASP 42 Ca 0.51 -3.02 -0.30 0.00 0.43 0.00 0.00 52.55 50.16 1u4h s ASP 42 Cb -0.41 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 1u4h s ASP 42 CO 0.53 -0.46 1.34 -0.63 -0.17 0.00 0.00 175.17 175.78 1u4h s ILE 43 N -0.36 3.85 0.20 4.11 -1.09 -1.26 -4.95 121.20 121.70 1u4h s ILE 43 Ca 0.22 1.23 -0.32 0.00 -2.23 0.00 0.00 60.65 59.55 1u4h s ILE 43 Cb -0.10 -3.79 -0.12 0.00 -1.58 0.00 0.00 42.46 36.86 1u4h s ILE 43 CO -0.09 0.01 1.73 -0.67 -1.23 0.00 0.00 174.94 174.69 1u4h n ASP 44 N 5.16 3.99 -0.36 3.58 -0.08 -1.26 -4.76 116.55 122.83 1u4h n ASP 44 Ca 0.12 1.06 0.01 0.00 -1.51 0.00 0.00 54.79 54.47 1u4h n ASP 44 Cb 0.44 -1.57 0.15 0.00 2.34 0.00 0.00 41.12 42.48 1u4h n ASP 44 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1u4h h ASP 45 N 6.87 1.02 0.12 1.67 3.32 -2.00 -1.89 116.42 125.53 1u4h h ASP 45 Ca -0.43 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 1u4h h ASP 45 Cb 1.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1u4h h ASP 45 CO 0.96 0.68 -0.27 0.44 -1.72 0.00 0.00 179.24 179.33 1u4h h ASP 46 N 1.18 0.24 -0.61 6.45 3.32 -1.98 0.18 116.42 125.20 1u4h h ASP 46 Ca 0.41 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1u4h h ASP 46 Cb 0.09 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1u4h h ASP 46 CO -0.15 0.51 0.19 -0.08 -1.72 0.00 0.00 179.24 177.99 1u4h h GLU 47 N 0.22 0.98 -0.22 3.56 4.81 -1.74 0.95 114.58 123.15 1u4h h GLU 47 Ca 0.03 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.89 1u4h h GLU 47 Cb 0.59 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1u4h h GLU 47 CO 0.04 0.85 -0.57 0.28 -0.73 0.00 0.00 179.01 178.88 1u4h h VAL 48 N 0.95 1.30 -0.15 0.32 2.07 -0.97 -2.48 116.25 117.30 1u4h h VAL 48 Ca 0.21 -1.80 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1u4h h VAL 48 Cb 0.29 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1u4h h VAL 48 CO -0.01 0.57 -0.12 0.03 0.02 0.00 0.00 177.57 178.07 1u4h h ARG 49 N 0.51 0.23 -0.14 1.57 3.08 -0.19 -1.79 114.38 117.64 1u4h h ARG 49 Ca 0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1u4h h ARG 49 Cb 1.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1u4h h ARG 49 CO 0.11 0.35 -0.51 0.00 -1.07 0.00 0.00 179.97 178.85 1u4h h ARG 50 N 0.22 0.38 -0.44 0.04 3.08 -0.57 -1.37 114.38 115.72 1u4h h ARG 50 Ca 0.05 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1u4h h ARG 50 Cb 0.34 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1u4h h ARG 50 CO 0.02 0.80 -0.14 0.82 -1.07 0.00 0.00 179.97 180.40 1u4h h ILE 51 N 0.30 1.27 -0.12 2.04 2.04 -0.93 -2.29 117.51 119.82 1u4h h ILE 51 Ca 0.01 -1.27 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 1u4h h ILE 51 Cb 1.01 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1u4h h ILE 51 CO 0.09 0.43 -0.47 -0.26 0.00 0.00 0.00 178.15 177.94 1u4h h PHE 52 N 0.70 0.36 -0.54 1.37 -1.00 -1.24 -1.29 116.94 115.30 1u4h h PHE 52 Ca 0.11 -0.11 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1u4h h PHE 52 Cb 0.69 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1u4h h PHE 52 CO 0.05 0.71 -0.04 0.00 -1.61 0.00 0.00 178.31 177.42 1u4h h ALA 53 N 1.27 0.89 -0.44 2.45 0.00 -1.14 0.49 119.26 122.77 1u4h h ALA 53 Ca 0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1u4h h ALA 53 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1u4h h ALA 53 CO 0.08 0.65 -0.24 -0.22 0.00 0.00 0.00 179.25 179.51 1u4h h LYS 54 N 0.88 0.93 -0.72 0.00 1.63 -1.15 0.39 116.57 118.53 1u4h h LYS 54 Ca 0.15 -0.41 -0.05 0.00 -0.85 0.00 0.00 60.65 59.50 1u4h h LYS 54 Cb 0.58 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1u4h h LYS 54 CO 0.03 1.07 0.26 0.28 -3.45 0.00 0.00 179.45 177.64 1u4h h VAL 55 N 0.80 1.25 0.39 2.00 2.07 -0.91 -0.83 116.25 121.01 1u4h h VAL 55 Ca 0.10 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1u4h h VAL 55 Cb 0.81 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1u4h h VAL 55 CO 0.07 0.32 -0.23 -1.28 0.02 0.00 0.00 177.57 176.47 1u4h h SER 56 N 1.04 -0.56 -0.15 0.57 0.87 -0.40 0.10 113.55 115.03 1u4h h SER 56 Ca 0.24 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1u4h h SER 56 Cb 0.23 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1u4h h SER 56 CO -0.02 -0.37 -0.25 -0.08 -0.53 0.00 0.00 176.83 175.59 1u4h h GLU 57 N -0.58 -0.29 -0.07 2.24 4.81 -0.65 0.21 114.58 120.24 1u4h h GLU 57 Ca -0.04 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1u4h h GLU 57 Cb 0.47 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1u4h h GLU 57 CO 0.05 -0.20 -0.27 0.87 -0.73 0.00 0.00 179.01 178.74 1u4h h LYS 58 N -0.31 0.13 0.00 1.92 1.57 -1.05 -3.11 116.57 115.72 1u4h h LYS 58 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1u4h h LYS 58 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1u4h h LYS 58 CO -0.33 0.39 -1.07 0.25 -0.57 0.00 0.00 179.45 178.13 1u4h n THR 59 N -4.18 0.29 -1.00 -0.16 -2.24 0.01 -4.95 114.28 102.06 1u4h n THR 59 Ca -0.01 -0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1u4h n THR 59 Cb 0.35 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1u4h n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u4h n GLY 60 N 1.30 0.47 3.90 3.38 0.00 0.69 -5.02 105.19 109.92 1u4h n GLY 60 Ca 0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1u4h n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4h s LYS 61 N -0.24 3.41 0.31 1.61 1.02 -1.10 -5.03 119.74 119.72 1u4h s LYS 61 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1u4h s LYS 61 Cb 0.00 -3.05 -0.10 0.00 -0.52 0.00 0.00 37.83 34.15 1u4h s LYS 61 CO 0.00 0.64 1.35 1.21 -0.92 0.00 0.00 175.35 177.64 1u4h s ASN 62 N -2.19 6.71 0.42 2.83 3.84 -1.26 -4.51 114.94 120.77 1u4h s ASN 62 Ca 0.31 2.71 0.11 0.00 0.21 0.00 0.00 52.86 56.20 1u4h s ASN 62 Cb -0.13 -2.64 0.95 0.00 -0.55 0.00 0.00 41.25 38.88 1u4h s ASN 62 CO 0.23 -0.61 2.01 1.62 -2.79 0.00 0.00 177.10 177.56 1u4h h VAL 63 N 3.16 0.98 -0.05 -5.21 3.04 -1.93 -0.07 116.25 116.18 1u4h h VAL 63 Ca -0.48 -0.17 -0.11 0.00 -1.01 0.00 0.00 66.70 64.94 1u4h h VAL 63 Cb 1.23 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1u4h h VAL 63 CO 0.68 0.09 -0.46 0.78 -1.01 0.00 0.00 177.57 177.66 1u4h h ASN 64 N 0.48 0.12 -0.42 3.17 2.35 -1.98 -1.43 115.58 117.87 1u4h h ASN 64 Ca 0.23 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1u4h h ASN 64 Cb 0.28 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1u4h h ASN 64 CO -0.06 0.56 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.06 1u4h h GLU 65 N 0.09 0.90 -0.15 0.81 4.81 -1.41 -1.47 114.58 118.17 1u4h h GLU 65 Ca 0.00 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1u4h h GLU 65 Cb 0.84 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1u4h h GLU 65 CO 0.06 0.98 0.02 0.82 -0.73 0.00 0.00 179.01 180.17 1u4h h ILE 66 N 0.80 1.23 -0.87 2.32 2.04 -0.87 -0.63 117.51 121.54 1u4h h ILE 66 Ca 0.12 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1u4h h ILE 66 Cb 0.68 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1u4h h ILE 66 CO 0.05 0.22 0.55 -0.50 0.00 0.00 0.00 178.15 178.47 1u4h h TRP 67 N 0.02 1.01 -0.42 1.37 4.06 -1.15 0.27 115.95 121.12 1u4h h TRP 67 Ca 0.04 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1u4h h TRP 67 Cb 0.33 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1u4h h TRP 67 CO 0.02 0.54 0.24 -0.09 -3.56 0.00 0.00 178.44 175.59 1u4h h ARG 68 N 1.01 0.59 -0.45 0.49 9.65 -1.05 0.10 114.38 124.72 1u4h h ARG 68 Ca 0.37 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 59.06 1u4h h ARG 68 Cb 0.12 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1u4h h ARG 68 CO -0.16 0.46 -0.23 0.93 2.80 0.00 0.00 179.97 183.78 1u4h h GLU 69 N 0.55 0.93 -0.45 0.20 5.08 -0.47 -2.22 114.58 118.21 1u4h h GLU 69 Ca 0.15 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1u4h h GLU 69 Cb 0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1u4h h GLU 69 CO -0.03 1.06 -0.06 0.28 -1.00 0.00 0.00 179.01 179.26 1u4h h VAL 70 N 0.80 1.25 -0.44 3.13 2.07 -0.19 -1.75 116.25 121.12 1u4h h VAL 70 Ca 0.10 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1u4h h VAL 70 Cb 0.79 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1u4h h VAL 70 CO 0.07 0.38 0.14 1.23 0.02 0.00 0.00 177.57 179.40 1u4h h GLY 71 N 0.97 0.74 0.97 2.17 0.00 -0.78 0.60 103.07 107.74 1u4h h GLY 71 Ca 0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1u4h h GLY 71 CO 0.03 0.41 0.18 3.21 0.00 0.00 0.00 176.54 180.37 1u4h h ARG 72 N 0.58 0.73 0.03 4.80 3.08 -0.97 -3.18 114.38 119.45 1u4h h ARG 72 Ca 0.14 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1u4h h ARG 72 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1u4h h ARG 72 CO -0.01 0.67 -1.00 0.37 -1.07 0.00 0.00 179.97 178.93 1u4h h GLN 73 N 0.64 0.16 0.00 0.04 5.75 -1.16 -3.30 115.11 117.24 1u4h h GLN 73 Ca 0.16 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1u4h h GLN 73 Cb 0.22 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1u4h h GLN 73 CO -0.01 1.03 -0.00 -0.97 -2.65 0.00 0.00 178.83 176.22 1u4h h ASN 74 N 0.07 0.00 -0.64 -0.69 -1.24 0.21 -0.59 115.58 112.70 1u4h h ASN 74 Ca -0.06 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 1u4h h ASN 74 Cb 1.69 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.71 1u4h h ASN 74 CO 0.15 0.00 0.13 0.40 -1.29 0.00 0.00 177.43 176.82 1u4h h ILE 75 N 0.00 1.26 -0.37 2.57 1.08 -1.64 0.27 117.51 120.68 1u4h h ILE 75 Ca -0.00 -0.99 -0.07 0.00 -0.39 0.00 0.00 64.86 63.41 1u4h h ILE 75 Cb 0.05 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1u4h h ILE 75 CO 0.00 0.37 -0.03 0.50 -0.69 0.00 0.00 178.15 178.30 1u4h h LYS 76 N 1.00 0.68 -0.77 2.37 3.11 -1.32 -0.47 116.57 121.18 1u4h h LYS 76 Ca 0.20 -0.24 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 1u4h h LYS 76 Cb 0.40 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 1u4h h LYS 76 CO 0.01 0.81 0.38 1.15 -2.81 0.00 0.00 179.45 178.98 1u4h h THR 77 N 0.49 1.24 -0.58 1.00 2.02 -1.23 -2.65 112.91 113.20 1u4h h THR 77 Ca 0.10 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1u4h h THR 77 Cb 0.52 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1u4h h THR 77 CO 0.03 0.29 0.14 -0.26 0.37 0.00 0.00 175.52 176.08 1u4h h PHE 78 N 1.10 0.98 0.00 3.16 0.05 -0.07 -1.93 116.94 120.23 1u4h h PHE 78 Ca 0.27 -0.12 -0.00 0.00 3.82 0.00 0.00 57.97 61.94 1u4h h PHE 78 Cb 0.10 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.78 1u4h h PHE 78 CO 0.01 0.84 -0.01 0.66 -0.18 0.00 0.00 178.31 179.63 1u4h h SER 79 N 0.84 0.00 0.50 2.17 4.64 -0.79 0.79 113.55 121.71 1u4h h SER 79 Ca 0.18 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 1u4h h SER 79 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1u4h h SER 79 CO 0.00 0.01 -1.61 -0.33 -0.87 0.00 0.00 176.83 174.03 1u4h h GLU 80 N 0.00 0.09 0.04 4.77 5.08 -1.12 -3.13 114.58 120.30 1u4h h GLU 80 Ca -0.00 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 57.86 1u4h h GLU 80 Cb 0.37 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1u4h h GLU 80 CO 0.00 0.79 -2.12 0.91 -1.00 0.00 0.00 179.01 177.59 1u4h n TRP 81 N -3.23 0.66 -2.74 4.33 7.02 -0.77 -4.54 117.44 118.17 1u4h n TRP 81 Ca -0.16 0.18 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 1u4h n TRP 81 Cb 1.03 -1.10 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 1u4h n TRP 81 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1u4h n PHE 82 N -3.19 3.49 -0.19 -5.99 3.01 0.27 -4.91 117.46 109.96 1u4h n PHE 82 Ca -0.32 -3.56 0.28 0.00 1.01 0.00 0.00 57.45 54.86 1u4h n PHE 82 Cb 1.06 -0.30 0.70 0.00 -0.01 0.00 0.00 39.48 40.93 1u4h n PHE 82 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1u4h h PRO 83 N 2.81 0.04 0.00 -1.08 0.11 -1.66 -2.24 132.00 129.97 1u4h h PRO 83 Ca 0.19 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1u4h h PRO 83 Cb 0.73 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1u4h h PRO 83 CO 0.81 0.03 -0.00 0.66 -0.21 0.00 0.00 178.00 179.28 1u4h h SER 84 N 0.04 0.00 1.67 -2.05 4.64 -1.91 -1.40 113.55 114.55 1u4h h SER 84 Ca 0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1u4h h SER 84 Cb 1.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 1u4h h SER 84 CO -0.02 0.00 -0.33 1.88 -0.87 0.00 0.00 176.83 177.48 1u4h h TYR 85 N 0.00 0.00 0.00 4.77 -1.99 -1.79 -3.33 116.97 114.63 1u4h h TYR 85 Ca -0.00 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.48 1u4h h TYR 85 Cb 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.69 1u4h h TYR 85 CO 0.00 0.25 -2.11 1.19 -0.00 0.00 0.00 178.16 177.50 1u4h n PHE 86 N -3.13 0.22 -1.59 4.88 3.72 -0.89 -4.87 117.46 115.80 1u4h n PHE 86 Ca 0.02 0.08 -0.64 0.00 -0.05 0.00 0.00 57.45 56.86 1u4h n PHE 86 Cb 0.64 -0.92 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 1u4h n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4h n ALA 87 N -2.57 -0.97 -4.05 4.37 0.00 -0.58 -1.90 120.51 114.81 1u4h n ALA 87 Ca -0.22 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1u4h n ALA 87 Cb 0.97 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.53 1u4h n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u4h n GLY 88 N 4.68 -0.74 3.36 0.00 0.00 -1.26 -4.98 105.19 106.24 1u4h n GLY 88 Ca 0.36 0.33 -0.19 0.00 0.00 0.00 0.00 46.02 46.51 1u4h n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4h s ARG 89 N -7.20 1.36 0.20 1.61 1.81 -0.80 -5.15 118.95 110.78 1u4h s ARG 89 Ca 0.41 -1.60 0.08 0.00 -1.72 0.00 0.00 55.73 52.89 1u4h s ARG 89 Cb -0.21 -1.18 -0.04 0.00 -0.45 0.00 0.00 34.95 33.07 1u4h s ARG 89 CO 0.96 0.20 0.02 1.03 -0.68 0.00 0.00 175.30 176.82 1u4h s ARG 90 N -3.63 2.43 0.15 3.54 0.52 -1.26 -4.99 118.95 115.70 1u4h s ARG 90 Ca 0.23 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 1u4h s ARG 90 Cb -0.01 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.15 1u4h s ARG 90 CO 0.07 0.43 1.68 1.25 0.02 0.00 0.00 175.30 178.75 1u4h h LEU 91 N 2.42 -0.36 -1.01 2.53 5.85 -1.93 -0.27 115.31 122.55 1u4h h LEU 91 Ca -0.47 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1u4h h LEU 91 Cb 1.22 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 1u4h h LEU 91 CO 0.59 -0.13 0.66 0.58 -0.34 0.00 0.00 178.44 179.79 1u4h h VAL 92 N -0.05 1.14 -0.14 1.05 2.07 -1.99 -1.05 116.25 117.28 1u4h h VAL 92 Ca 0.14 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1u4h h VAL 92 Cb 0.26 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1u4h h VAL 92 CO -0.32 0.23 -0.00 -1.13 0.02 0.00 0.00 177.57 176.37 1u4h h ASN 93 N 1.24 0.25 -0.23 0.57 -0.73 -1.83 -3.15 115.58 111.70 1u4h h ASN 93 Ca 0.41 -0.32 0.06 0.00 1.87 0.00 0.00 56.30 58.32 1u4h h ASN 93 Cb 0.06 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.52 1u4h h ASN 93 CO -0.14 0.51 -0.17 0.15 -0.37 0.00 0.00 177.43 177.40 1u4h h PHE 94 N -0.01 -0.44 -2.27 0.67 3.57 -0.48 -3.49 116.94 114.49 1u4h h PHE 94 Ca 0.04 0.03 -0.58 0.00 3.53 0.00 0.00 57.97 60.99 1u4h h PHE 94 Cb 0.38 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1u4h h PHE 94 CO 0.04 -0.25 1.40 -0.51 -2.23 0.00 0.00 178.31 176.76 1u4h s LEU 95 N -10.49 3.46 0.00 0.59 1.43 -0.45 -5.10 118.68 108.12 1u4h s LEU 95 Ca -0.14 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1u4h s LEU 95 Cb 0.12 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1u4h s LEU 95 CO 0.68 -1.90 0.00 -0.67 0.23 0.00 0.00 176.35 174.70 1u4h n ASP 99 N 11.27 0.00 -0.18 2.29 -0.08 -1.26 -4.84 116.55 123.75 1u4h n ASP 99 Ca 0.27 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 1u4h n ASP 99 Cb 0.46 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.94 1u4h n ASP 99 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1u4h h GLU 100 N 0.00 0.75 -0.46 -0.67 4.57 -1.98 -2.58 114.58 114.21 1u4h h GLU 100 Ca 0.00 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1u4h h GLU 100 Cb 0.00 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1u4h h GLU 100 CO 0.00 0.63 0.21 0.28 -1.18 0.00 0.00 179.01 178.95 1u4h h VAL 101 N 0.69 0.93 -0.06 0.32 2.07 -1.99 -0.80 116.25 117.40 1u4h h VAL 101 Ca 0.18 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1u4h h VAL 101 Cb 0.14 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1u4h h VAL 101 CO -0.02 0.08 -0.15 0.45 0.02 0.00 0.00 177.57 177.94 1u4h h HIS 102 N 0.42 0.10 -0.08 1.57 3.86 -1.88 -0.24 115.15 118.90 1u4h h HIS 102 Ca 0.21 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1u4h h HIS 102 Cb 0.15 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1u4h h HIS 102 CO -0.12 0.26 -0.31 -0.07 0.86 0.00 0.00 177.93 178.54 1u4h h LEU 103 N 0.10 0.42 -0.75 2.43 3.38 -0.99 -3.12 115.31 116.77 1u4h h LEU 103 Ca 0.02 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1u4h h LEU 103 Cb 0.34 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1u4h h LEU 103 CO 0.02 0.98 0.28 1.56 0.09 0.00 0.00 178.44 181.37 1u4h h GLN 104 N -0.11 1.13 0.00 1.13 1.08 -0.80 -0.98 115.11 116.56 1u4h h GLN 104 Ca -0.02 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1u4h h GLN 104 Cb 0.95 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1u4h h GLN 104 CO 0.07 0.93 0.00 1.28 -0.95 0.00 0.00 178.83 180.16 1u4h n LEU 105 N -4.31 0.00 0.00 1.46 4.77 -0.13 -3.23 117.00 115.56 1u4h n LEU 105 Ca 0.06 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1u4h n LEU 105 Cb 0.19 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1u4h n LEU 105 CO 0.41 -0.01 0.10 0.35 -1.33 0.00 0.00 177.39 176.91 1u4h n THR 106 N -1.07 0.00 0.00 -5.08 -2.24 -1.05 -4.94 114.28 99.90 1u4h n THR 106 Ca 0.18 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1u4h n THR 106 Cb 0.12 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1u4h n THR 106 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1u4h n LYS 107 N -0.25 0.00 -0.16 -0.78 2.85 -0.40 -4.69 118.16 114.73 1u4h n LYS 107 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1u4h n LYS 107 Cb 0.05 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1u4h n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1u4h n ILE 109 N 2.39 0.00 -2.09 0.58 5.41 -1.26 -5.04 119.36 119.34 1u4h n ILE 109 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1u4h n ILE 109 Cb 0.00 -0.07 -0.03 0.00 -0.71 0.00 0.00 39.64 38.83 1u4h n ILE 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1u4h s LYS 110 N 0.00 4.28 -0.11 0.38 -0.14 -1.26 -2.03 119.74 120.86 1u4h s LYS 110 Ca 0.00 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.77 1u4h s LYS 110 Cb 0.00 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1u4h s LYS 110 CO 0.00 -0.52 0.00 0.41 -0.76 0.00 0.00 175.35 174.48 1u4h n GLY 111 N 3.62 0.49 3.59 -3.33 0.00 -1.26 -4.98 105.19 103.32 1u4h n GLY 111 Ca 0.13 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1u4h n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4h n ALA 112 N 1.02 -0.04 -3.04 4.61 0.00 -0.86 -4.95 120.51 117.26 1u4h n ALA 112 Ca -0.01 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 1u4h n ALA 112 Cb 0.08 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 1u4h n ALA 112 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u4h n THR 113 N -0.41 1.88 -1.10 0.00 -2.24 -1.26 -5.10 114.28 106.05 1u4h n THR 113 Ca 0.10 -5.21 -0.31 0.00 -2.27 0.00 0.00 64.05 56.35 1u4h n THR 113 Cb 0.38 -1.01 0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1u4h n THR 113 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1u4h s PRO 114 N -3.07 1.89 0.47 -0.78 0.04 -1.26 -4.94 135.00 127.36 1u4h s PRO 114 Ca 0.46 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 1u4h s PRO 114 Cb 0.30 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.91 1u4h s PRO 114 CO -0.12 -1.93 1.06 -1.25 0.04 0.00 0.00 177.00 174.80 1u4h s PRO 115 N -4.84 3.83 -0.04 0.56 0.04 -1.26 -4.93 135.00 128.37 1u4h s PRO 115 Ca 0.63 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1u4h s PRO 115 Cb -0.19 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1u4h s PRO 115 CO 0.57 -0.42 0.34 1.03 0.04 0.00 0.00 177.00 178.56 1u4h s ARG 116 N -3.07 3.82 -0.25 4.56 1.81 0.95 -4.89 118.95 121.88 1u4h s ARG 116 Ca 0.66 0.27 0.19 0.00 -1.72 0.00 0.00 55.73 55.13 1u4h s ARG 116 Cb -0.19 -3.22 0.49 0.00 -0.45 0.00 0.00 34.95 31.58 1u4h s ARG 116 CO 0.23 0.69 1.14 1.28 -0.68 0.00 0.00 175.30 177.96 1u4h n LEU 117 N 1.93 2.34 -4.67 2.53 4.77 -1.26 -1.07 117.00 121.58 1u4h n LEU 117 Ca -0.15 -3.37 -0.48 0.00 -0.03 0.00 0.00 56.01 51.98 1u4h n LEU 117 Cb 0.53 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 1u4h n LEU 117 CO 0.36 1.25 1.27 -0.38 -1.33 0.00 0.00 177.39 178.57 1u4h n ILE 118 N -0.56 0.22 -4.46 -0.08 5.41 -1.23 -4.24 119.36 114.42 1u4h n ILE 118 Ca 0.16 -0.04 -0.27 0.00 1.00 0.00 0.00 62.75 63.60 1u4h n ILE 118 Cb 0.86 -1.56 -0.13 0.00 -0.71 0.00 0.00 39.64 38.10 1u4h n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u4h s ALA 119 N 2.12 2.12 -0.10 -1.39 0.00 -1.26 -1.94 121.76 121.30 1u4h s ALA 119 Ca 0.85 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1u4h s ALA 119 Cb -0.74 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.07 1u4h s ALA 119 CO 0.45 0.47 0.38 -1.59 0.00 0.00 0.00 175.76 175.47 1u4h s LYS 120 N -1.80 0.55 0.34 0.00 -2.85 0.06 -4.96 119.74 111.08 1u4h s LYS 120 Ca 0.11 0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 55.10 1u4h s LYS 120 Cb -0.10 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.83 1u4h s LYS 120 CO 0.04 -0.11 1.33 -2.14 0.10 0.00 0.00 175.35 174.57 1u4h s PRO 121 N -0.32 4.31 0.00 1.78 0.02 -1.26 -0.39 135.00 139.14 1u4h s PRO 121 Ca -0.05 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1u4h s PRO 121 Cb -0.03 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1u4h s PRO 121 CO 0.02 -0.24 0.31 1.33 -0.33 0.00 0.00 177.00 178.09 1u4h n VAL 122 N 0.73 0.09 -3.59 3.83 0.24 -0.59 -4.83 118.33 114.21 1u4h n VAL 122 Ca 0.00 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.01 1u4h n VAL 122 Cb 0.42 1.43 -0.02 0.00 -1.47 0.00 0.00 33.84 34.20 1u4h n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u4h s ALA 123 N -0.09 -2.03 0.63 2.33 0.00 -1.12 -4.95 121.76 116.54 1u4h s ALA 123 Ca 0.00 1.34 0.35 0.00 0.00 0.00 0.00 51.96 53.65 1u4h s ALA 123 Cb 0.00 0.06 1.93 0.00 0.00 0.00 0.00 23.12 25.11 1u4h s ALA 123 CO 0.00 -0.68 2.17 0.87 0.00 0.00 0.00 175.76 178.12 1u4h h LYS 124 N 2.00 0.00 0.00 0.00 1.57 -1.99 -2.56 116.57 115.60 1u4h h LYS 124 Ca -0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1u4h h LYS 124 Cb 1.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 1u4h h LYS 124 CO 0.25 0.00 -0.48 -0.40 -0.57 0.00 0.00 179.45 178.25 1u4h n ASP 125 N -3.36 1.30 -3.67 0.86 5.75 -1.26 0.63 116.55 116.80 1u4h n ASP 125 Ca -0.01 -2.78 -0.14 0.00 -0.01 0.00 0.00 54.79 51.85 1u4h n ASP 125 Cb 0.23 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 39.88 1u4h n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u4h s ALA 126 N -1.61 -1.10 0.15 2.12 0.00 -0.97 0.26 121.76 120.61 1u4h s ALA 126 Ca 0.26 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1u4h s ALA 126 Cb 0.26 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1u4h s ALA 126 CO -0.05 -0.34 -0.12 0.96 0.00 0.00 0.00 175.76 176.21 1u4h s ILE 127 N -1.60 1.35 0.55 0.00 -4.36 -0.16 -1.54 121.20 115.45 1u4h s ILE 127 Ca -0.11 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.33 1u4h s ILE 127 Cb -0.03 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.92 1u4h s ILE 127 CO 0.04 -0.61 0.34 -1.61 0.24 0.00 0.00 174.94 173.34 1u4h s GLU 128 N -3.40 2.24 -0.30 0.37 2.02 0.47 -0.44 118.70 119.66 1u4h s GLU 128 Ca 0.16 -2.13 -0.16 0.00 0.02 0.00 0.00 54.97 52.85 1u4h s GLU 128 Cb -0.01 -1.98 0.17 0.00 0.10 0.00 0.00 34.13 32.42 1u4h s GLU 128 CO 0.03 -0.62 1.08 -2.00 0.02 0.00 0.00 175.26 173.77 1u4h s GLU 130 N -4.23 0.21 -0.09 1.61 2.12 -0.82 -0.76 118.70 116.74 1u4h s GLU 130 Ca 0.27 0.52 -0.25 0.00 0.36 0.00 0.00 54.97 55.87 1u4h s GLU 130 Cb -0.02 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1u4h s GLU 130 CO 0.17 -0.07 0.77 -0.47 -0.54 0.00 0.00 175.26 175.12 1u4h s TYR 131 N 2.21 3.53 -0.08 5.30 5.04 0.14 -3.57 117.35 129.93 1u4h s TYR 131 Ca -0.02 1.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1u4h s TYR 131 Cb -0.04 -2.90 0.03 0.00 0.35 0.00 0.00 41.96 39.39 1u4h s TYR 131 CO -0.17 -0.03 -0.01 0.08 -1.34 0.00 0.00 175.55 174.08 1u4h s VAL 132 N 1.27 0.47 -0.13 3.14 1.01 -0.24 -0.91 120.40 125.02 1u4h s VAL 132 Ca 0.39 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1u4h s VAL 132 Cb -0.18 -0.60 0.13 0.00 0.00 0.00 0.00 36.38 35.73 1u4h s VAL 132 CO 0.17 0.27 1.04 -0.55 0.00 0.00 0.00 175.10 176.04 1u4h s SER 133 N 1.90 -0.29 0.08 3.32 0.15 -0.49 -0.03 113.70 118.34 1u4h s SER 133 Ca 0.04 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.13 1u4h s SER 133 Cb -0.12 0.27 0.90 0.00 -1.71 0.00 0.00 66.02 65.36 1u4h s SER 133 CO -0.05 -0.38 1.74 2.29 1.20 0.00 0.00 173.24 178.04 1u4h n LYS 134 N 0.23 0.12 0.11 5.44 2.85 -1.26 -0.31 118.16 125.33 1u4h n LYS 134 Ca -0.07 0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.40 1u4h n LYS 134 Cb 0.59 -1.62 0.42 0.00 -0.65 0.00 0.00 35.03 33.77 1u4h n LYS 134 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1u4h n ARG 135 N -1.81 0.26 -1.95 -1.58 1.74 -1.26 -4.77 116.66 107.28 1u4h n ARG 135 Ca 0.06 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1u4h n ARG 135 Cb 0.38 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1u4h n ARG 135 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u4h n LYS 136 N -2.26 -4.34 0.00 5.56 5.02 -1.25 -5.11 118.16 115.77 1u4h n LYS 136 Ca 0.05 3.07 0.00 0.00 -2.02 0.00 0.00 58.31 59.41 1u4h n LYS 136 Cb 0.41 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 31.97 1u4h n LYS 136 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u4h n TYR 138 N 1.64 0.00 -0.19 2.13 0.53 -1.26 -5.01 117.16 115.01 1u4h n TYR 138 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.84 1u4h n TYR 138 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 39.34 38.45 1u4h n TYR 138 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1u4h h ASP 139 N 0.00 0.90 0.05 7.72 3.32 -1.93 0.50 116.42 126.98 1u4h h ASP 139 Ca 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1u4h h ASP 139 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1u4h h ASP 139 CO 0.00 0.85 -0.02 0.22 -1.72 0.00 0.00 179.24 178.56 1u4h h TYR 140 N 0.94 -0.06 -0.37 4.55 3.20 -1.89 0.11 116.97 123.45 1u4h h TYR 140 Ca 0.21 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1u4h h TYR 140 Cb 0.27 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1u4h h TYR 140 CO 0.02 0.03 0.01 0.35 -1.64 0.00 0.00 178.16 176.93 1u4h h PHE 141 N -0.15 -0.00 -0.51 -3.82 3.57 -1.80 0.08 116.94 114.30 1u4h h PHE 141 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1u4h h PHE 141 Cb 0.13 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1u4h h PHE 141 CO -0.05 -0.06 0.02 -0.07 -2.23 0.00 0.00 178.31 175.92 1u4h h LEU 142 N 0.11 0.82 -0.69 0.59 3.38 -0.73 -2.71 115.31 116.09 1u4h h LEU 142 Ca 0.18 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1u4h h LEU 142 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1u4h h LEU 142 CO -0.30 0.87 -0.10 1.23 0.09 0.00 0.00 178.44 180.23 1u4h h GLY 143 N 0.99 0.98 1.29 0.83 0.00 -0.05 -2.04 103.07 105.07 1u4h h GLY 143 Ca 0.16 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1u4h h GLY 143 CO 0.02 0.70 0.14 1.41 0.00 0.00 0.00 176.54 178.81 1u4h h LEU 144 N 0.82 0.83 -0.14 3.11 3.38 -0.80 0.22 115.31 122.72 1u4h h LEU 144 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1u4h h LEU 144 Cb 0.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1u4h h LEU 144 CO 0.04 0.81 0.02 0.40 0.09 0.00 0.00 178.44 179.80 1u4h h ILE 145 N 0.85 1.23 -0.67 1.22 2.04 -1.28 0.10 117.51 120.99 1u4h h ILE 145 Ca 0.19 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1u4h h ILE 145 Cb 0.31 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1u4h h ILE 145 CO -0.00 0.22 0.34 -0.33 0.00 0.00 0.00 178.15 178.37 1u4h h GLU 146 N 0.01 0.96 -0.35 2.37 5.08 -1.05 -1.15 114.58 120.46 1u4h h GLU 146 Ca 0.04 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1u4h h GLU 146 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1u4h h GLU 146 CO 0.00 0.75 -0.04 0.78 -1.00 0.00 0.00 179.01 179.50 1u4h h GLY 147 N 0.93 0.60 1.24 -3.84 0.00 -0.40 -2.25 103.07 99.36 1u4h h GLY 147 Ca 0.23 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1u4h h GLY 147 CO -0.03 0.35 -0.16 1.76 0.00 0.00 0.00 176.54 178.46 1u4h h SER 148 N 0.53 0.89 -0.62 0.19 0.02 -0.15 -0.90 113.55 113.50 1u4h h SER 148 Ca 0.11 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1u4h h SER 148 Cb 0.40 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1u4h h SER 148 CO 0.02 1.04 0.35 -1.28 -1.14 0.00 0.00 176.83 175.81 1u4h h SER 149 N 0.78 0.77 -0.52 3.07 0.87 -0.77 -1.96 113.55 115.79 1u4h h SER 149 Ca 0.12 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 1u4h h SER 149 Cb 0.69 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1u4h h SER 149 CO 0.05 0.64 -0.04 0.11 -0.53 0.00 0.00 176.83 177.06 1u4h h LYS 150 N 0.85 0.95 0.02 2.24 1.57 -1.13 -1.61 116.57 119.47 1u4h h LYS 150 Ca 0.22 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1u4h h LYS 150 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1u4h h LYS 150 CO -0.04 0.98 -0.01 0.35 -0.57 0.00 0.00 179.45 180.16 1u4h h PHE 151 N 0.82 -0.03 0.00 -1.35 3.57 -0.94 -2.57 116.94 116.45 1u4h h PHE 151 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1u4h h PHE 151 Cb 0.58 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1u4h h PHE 151 CO 0.04 0.09 0.00 1.19 -2.23 0.00 0.00 178.31 177.40 1u4h n PHE 152 N -5.05 0.00 -2.90 0.41 3.01 -0.76 -4.89 117.46 107.28 1u4h n PHE 152 Ca -0.08 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.18 1u4h n PHE 152 Cb 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.57 1u4h n PHE 152 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1u4h n LYS 153 N -0.97 -3.47 -4.01 -1.08 5.02 -0.74 -4.91 118.16 108.00 1u4h n LYS 153 Ca 0.21 0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 56.91 1u4h n LYS 153 Cb 0.10 -5.48 -0.15 0.00 -0.02 0.00 0.00 35.03 29.48 1u4h n LYS 153 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1u4h s GLU 154 N -5.55 2.76 0.37 1.97 2.02 -0.68 -5.03 118.70 114.55 1u4h s GLU 154 Ca 0.22 -1.01 -0.27 0.00 0.02 0.00 0.00 54.97 53.93 1u4h s GLU 154 Cb -0.11 -2.89 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 1u4h s GLU 154 CO 0.27 -0.39 1.28 -1.21 0.02 0.00 0.00 175.26 175.23 1u4h s GLU 155 N 1.28 4.17 0.16 1.61 2.02 -1.26 -4.65 118.70 122.02 1u4h s GLU 155 Ca -0.01 2.12 -0.06 0.00 0.02 0.00 0.00 54.97 57.05 1u4h s GLU 155 Cb -0.17 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 1u4h s GLU 155 CO -0.06 -0.31 0.19 0.96 0.02 0.00 0.00 175.26 176.06 1u4h s ILE 156 N -1.23 0.07 -0.14 -1.63 -4.36 -1.26 -3.73 121.20 108.92 1u4h s ILE 156 Ca 0.53 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1u4h s ILE 156 Cb -0.37 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.38 1u4h s ILE 156 CO 0.49 -0.33 -0.18 -0.55 0.24 0.00 0.00 174.94 174.60 1u4h s SER 157 N -3.01 2.85 -0.28 4.36 0.15 -0.33 -4.97 113.70 112.47 1u4h s SER 157 Ca 0.21 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.29 1u4h s SER 157 Cb 0.05 -1.30 0.03 0.00 -1.71 0.00 0.00 66.02 63.09 1u4h s SER 157 CO 0.02 0.01 0.00 -0.69 1.20 0.00 0.00 173.24 173.79 1u4h s VAL 158 N 1.12 3.25 -0.23 4.45 1.01 -1.26 -0.86 120.40 127.89 1u4h s VAL 158 Ca -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1u4h s VAL 158 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1u4h s VAL 158 CO -0.06 0.06 0.06 -0.70 0.00 0.00 0.00 175.10 174.46 1u4h s GLU 159 N 1.36 3.74 -0.58 2.72 2.12 -0.19 -4.94 118.70 122.93 1u4h s GLU 159 Ca -0.01 -0.44 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 1u4h s GLU 159 Cb -0.18 -3.27 0.05 0.00 0.26 0.00 0.00 34.13 30.99 1u4h s GLU 159 CO -0.01 -0.04 0.94 -1.21 -0.54 0.00 0.00 175.26 174.40 1u4h s GLU 160 N 1.21 3.27 -0.00 4.30 2.02 -1.26 0.01 118.70 128.24 1u4h s GLU 160 Ca 0.04 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 1u4h s GLU 160 Cb -0.14 -4.10 -0.20 0.00 0.10 0.00 0.00 34.13 29.79 1u4h s GLU 160 CO 0.03 -1.57 1.17 0.28 0.02 0.00 0.00 175.26 175.19 1u4h h VAL 161 N 6.00 1.44 -2.16 2.63 2.07 -1.19 -3.48 116.25 121.57 1u4h h VAL 161 Ca -0.27 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.44 1u4h h VAL 161 Cb 1.07 2.38 -0.20 0.00 -1.52 0.00 0.00 31.29 33.02 1u4h h VAL 161 CO 1.11 0.50 0.10 -1.83 0.02 0.00 0.00 177.57 177.47 1u4h s GLU 162 N -3.59 0.94 -0.06 1.57 -1.05 -1.13 -5.00 118.70 110.38 1u4h s GLU 162 Ca -0.14 0.39 -0.03 0.00 -0.15 0.00 0.00 54.97 55.03 1u4h s GLU 162 Cb 0.03 0.44 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1u4h s GLU 162 CO 0.77 -0.25 0.14 0.50 0.95 0.00 0.00 175.26 177.37 1u4h s ARG 163 N -0.79 0.11 0.00 -4.83 3.52 -1.26 -0.88 118.95 114.82 1u4h s ARG 163 Ca -0.08 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1u4h s ARG 163 Cb -0.02 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1u4h s ARG 163 CO 0.07 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1u4h n GLY 164 N 3.74 0.99 3.68 8.12 0.00 -0.39 -5.00 105.19 116.33 1u4h n GLY 164 Ca -0.21 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1u4h n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u4h s GLU 165 N -2.00 4.08 -0.08 1.61 2.02 -1.26 -0.08 118.70 122.99 1u4h s GLU 165 Ca 0.00 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1u4h s GLU 165 Cb 0.00 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.85 1u4h s GLU 165 CO 0.00 0.21 -0.12 0.21 0.02 0.00 0.00 175.26 175.58 1u4h s LYS 166 N 0.61 1.75 -1.30 1.61 2.20 0.07 -4.83 119.74 119.85 1u4h s LYS 166 Ca 0.07 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1u4h s LYS 166 Cb -0.12 -1.51 0.01 0.00 -1.51 0.00 0.00 37.83 34.70 1u4h s LYS 166 CO 0.01 -0.04 0.54 -0.40 -0.36 0.00 0.00 175.35 175.10 1u4h n ASP 167 N 4.08 -2.60 0.00 1.43 5.68 -1.26 -1.83 116.55 122.05 1u4h n ASP 167 Ca -0.20 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1u4h n ASP 167 Cb 0.51 -2.65 0.00 0.00 -1.14 0.00 0.00 41.12 37.84 1u4h n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u4h n GLY 168 N -1.99 2.44 3.53 6.12 0.00 -1.26 -5.00 105.19 109.03 1u4h n GLY 168 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1u4h n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u4h s PHE 169 N -2.72 2.97 0.33 1.61 0.40 -0.76 -4.69 117.98 115.11 1u4h s PHE 169 Ca 0.00 -0.17 -0.27 0.00 -0.60 0.00 0.00 56.93 55.90 1u4h s PHE 169 Cb 0.00 -1.83 -0.09 0.00 0.51 0.00 0.00 43.02 41.61 1u4h s PHE 169 CO 0.00 0.14 0.99 -1.12 0.70 0.00 0.00 175.22 175.93 1u4h s SER 170 N -0.22 7.22 0.01 1.36 0.01 0.57 -0.75 113.70 121.90 1u4h s SER 170 Ca 0.03 1.97 0.01 0.00 1.31 0.00 0.00 55.95 59.27 1u4h s SER 170 Cb -0.13 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1u4h s SER 170 CO 0.03 -0.16 -0.03 -0.13 0.41 0.00 0.00 173.24 173.36 1u4h s ARG 171 N -1.96 0.25 -0.11 12.44 0.52 0.88 -1.39 118.95 129.58 1u4h s ARG 171 Ca 0.50 -0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1u4h s ARG 171 Cb -0.22 -0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.20 1u4h s ARG 171 CO 0.28 0.02 0.14 -1.17 0.02 0.00 0.00 175.30 174.59 1u4h s LEU 172 N -0.66 0.02 -0.18 2.53 0.20 -0.08 -1.26 118.68 119.24 1u4h s LEU 172 Ca -0.05 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.78 1u4h s LEU 172 Cb -0.05 0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.82 1u4h s LEU 172 CO -0.00 -0.27 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.02 1u4h s LYS 173 N 2.25 3.66 0.16 1.98 2.20 -0.06 0.28 119.74 130.21 1u4h s LYS 173 Ca 0.04 -0.51 0.09 0.00 -0.36 0.00 0.00 55.97 55.23 1u4h s LYS 173 Cb -0.13 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1u4h s LYS 173 CO -0.07 0.12 -0.20 0.14 -0.36 0.00 0.00 175.35 174.98 1u4h s VAL 174 N 0.70 1.92 -0.23 4.02 -7.23 -1.26 -0.58 120.40 117.74 1u4h s VAL 174 Ca -0.01 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1u4h s VAL 174 Cb -0.14 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.96 1u4h s VAL 174 CO 0.02 -0.21 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.94 1u4h s ARG 175 N -2.56 3.16 -0.31 4.82 3.52 0.10 -4.35 118.95 123.33 1u4h s ARG 175 Ca 0.15 -0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1u4h s ARG 175 Cb -0.07 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1u4h s ARG 175 CO 0.07 -0.27 0.12 0.42 -0.81 0.00 0.00 175.30 174.83 1u4h s ILE 176 N 1.41 4.26 -0.19 4.11 1.01 0.42 -1.02 121.20 131.20 1u4h s ILE 176 Ca 0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 1u4h s ILE 176 Cb -0.15 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1u4h s ILE 176 CO -0.05 0.05 0.06 -0.75 0.00 0.00 0.00 174.94 174.25 1u4h s LYS 177 N 1.55 3.93 0.23 2.79 2.20 -0.04 -0.99 119.74 129.41 1u4h s LYS 177 Ca 0.03 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1u4h s LYS 177 Cb -0.17 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1u4h s LYS 177 CO 0.04 0.24 0.43 -0.06 -0.36 0.00 0.00 175.35 175.63 1u4h s PHE 178 N 0.46 3.48 0.47 4.03 0.40 0.14 -1.18 117.98 125.79 1u4h s PHE 178 Ca 0.03 0.36 0.23 0.00 -0.60 0.00 0.00 56.93 56.95 1u4h s PHE 178 Cb -0.13 -1.88 1.37 0.00 0.51 0.00 0.00 43.02 42.90 1u4h s PHE 178 CO 0.01 0.33 2.09 -0.22 0.70 0.00 0.00 175.22 178.13 1u4h h LYS 179 N 1.80 0.00 -5.25 0.44 1.63 -1.87 -3.44 116.57 109.88 1u4h h LYS 179 Ca -0.48 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 58.94 1u4h h LYS 179 Cb 1.19 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.67 1u4h h LYS 179 CO 0.67 0.10 -0.73 -0.80 -3.45 0.00 0.00 179.45 175.24 1u4h s ASN 180 N -6.51 2.02 0.36 4.20 0.01 -1.26 -5.12 114.94 108.65 1u4h s ASN 180 Ca -0.04 -0.97 -0.28 0.00 -0.71 0.00 0.00 52.86 50.85 1u4h s ASN 180 Cb 0.15 -0.05 -0.11 0.00 0.41 0.00 0.00 41.25 41.64 1u4h s ASN 180 CO 0.62 -0.26 1.52 -2.84 -1.51 0.00 0.00 177.10 174.64 1u4h s PRO 181 N -3.51 4.10 0.00 -0.60 0.02 -1.26 -4.68 135.00 129.07 1u4h s PRO 181 Ca 0.16 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1u4h s PRO 181 Cb 0.00 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1u4h s PRO 181 CO 0.03 -0.58 0.00 1.33 -0.33 0.00 0.00 177.00 177.45 1u4h n VAL 182 N 0.85 0.00 -4.36 3.83 0.24 0.20 -4.95 118.33 114.14 1u4h n VAL 182 Ca 0.03 -0.23 -0.20 0.00 -2.04 0.00 0.00 64.34 61.89 1u4h n VAL 182 Cb 0.39 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1u4h n VAL 182 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u4h s PHE 183 N -0.86 1.81 0.00 6.34 0.40 -0.18 -5.04 117.98 120.46 1u4h s PHE 183 Ca 0.00 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1u4h s PHE 183 Cb 0.00 -0.85 -0.00 0.00 0.51 0.00 0.00 43.02 42.68 1u4h s PHE 183 CO 0.00 0.40 0.01 -1.21 0.70 0.00 0.00 175.22 175.12 1u4h s GLU 184 N -3.39 0.13 0.25 0.44 2.02 -1.26 -4.66 118.70 112.23 1u4h s GLU 184 Ca 0.22 -0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 1u4h s GLU 184 Cb -0.03 0.05 -0.10 0.00 0.10 0.00 0.00 34.13 34.15 1u4h s GLU 184 CO 0.08 -0.02 1.37 0.71 0.02 0.00 0.00 175.26 177.41 1u4h s TYR 185 N -0.49 3.11 0.04 1.61 4.12 -1.26 -5.01 117.35 119.48 1u4h s TYR 185 Ca -0.05 1.18 -0.07 0.00 0.02 0.00 0.00 57.07 58.14 1u4h s TYR 185 Cb -0.03 -3.71 -0.00 0.00 -1.52 0.00 0.00 41.96 36.69 1u4h s TYR 185 CO -0.00 -2.22 0.15 0.15 0.02 0.00 0.00 175.55 173.65 1u4h s LYS 186 N -0.59 0.66 0.11 -0.62 1.02 -1.26 -5.12 119.74 113.93 1u4h s LYS 186 Ca 0.56 -0.73 -0.33 0.00 0.02 0.00 0.00 55.97 55.49 1u4h s LYS 186 Cb -0.40 0.27 -0.13 0.00 -0.52 0.00 0.00 37.83 37.05 1u4h s LYS 186 CO 0.44 -0.18 1.69 1.17 -0.92 0.00 0.00 175.35 177.55 1u4h n LYS 187 N 0.63 2.31 0.00 1.68 3.00 -1.26 -5.34 118.16 119.18 1u4h n LYS 187 Ca -0.18 0.84 0.11 0.00 -0.00 0.00 0.00 58.31 59.08 1u4h n LYS 187 Cb 0.59 -2.65 0.68 0.00 0.00 0.00 0.00 35.03 33.66 1u4h n LYS 187 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67