#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n71 s ILE 2 N 0.00 -0.04 -0.30 1.12 -4.36 -0.54 -4.94 121.20 112.15 1n71 s ILE 2 Ca 0.00 0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.43 1n71 s ILE 2 Cb 0.00 -0.23 -0.02 0.00 1.25 0.00 0.00 42.46 43.46 1n71 s ILE 2 CO 0.00 0.06 0.15 -0.63 0.24 0.00 0.00 174.94 174.76 1n71 s ILE 3 N 0.92 4.72 0.27 8.37 1.01 -1.26 -1.78 121.20 133.45 1n71 s ILE 3 Ca -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1n71 s ILE 3 Cb -0.09 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.04 1n71 s ILE 3 CO -0.05 0.12 0.43 -1.54 0.00 0.00 0.00 174.94 173.91 1n71 n SER 4 N 5.00 -1.23 -4.76 3.58 3.41 -0.70 -4.99 113.62 113.93 1n71 n SER 4 Ca -0.14 -2.34 -0.41 0.00 -0.26 0.00 0.00 58.87 55.71 1n71 n SER 4 Cb 0.50 2.19 -0.00 0.00 -0.26 0.00 0.00 64.21 66.63 1n71 n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n71 n GLU 5 N -0.42 2.59 -2.45 4.33 -0.58 -1.26 -1.15 120.64 121.70 1n71 n GLU 5 Ca -0.02 0.91 -0.41 0.00 -0.42 0.00 0.00 57.16 57.22 1n71 n GLU 5 Cb 0.44 -2.62 -0.04 0.00 -0.57 0.00 0.00 31.44 28.65 1n71 n GLU 5 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1n71 s PHE 6 N -1.01 3.52 -0.75 -0.32 2.19 -0.28 -4.67 117.98 116.66 1n71 s PHE 6 Ca 0.55 1.56 -0.27 0.00 0.33 0.00 0.00 56.93 59.10 1n71 s PHE 6 Cb -0.49 -3.34 0.03 0.00 -1.31 0.00 0.00 43.02 37.91 1n71 s PHE 6 CO 0.62 -0.82 1.31 0.34 1.83 0.00 0.00 175.22 178.50 1n71 s ASP 7 N -0.22 6.15 0.00 6.13 -1.08 -1.26 -4.87 116.67 121.53 1n71 s ASP 7 Ca 0.49 -0.49 0.12 0.00 -0.52 0.00 0.00 52.55 52.15 1n71 s ASP 7 Cb -0.31 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.15 1n71 s ASP 7 CO 0.37 -1.84 1.31 0.54 0.52 0.00 0.00 175.17 176.08 1n71 n ARG 8 N 9.35 0.11 -0.02 4.34 1.74 -1.26 -2.20 116.66 128.72 1n71 n ARG 8 Ca 0.05 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.43 1n71 n ARG 8 Cb 0.49 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1n71 n ARG 8 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1n71 n ASN 9 N -1.36 2.34 -4.53 0.55 3.02 -1.26 -4.89 115.26 109.12 1n71 n ASN 9 Ca 0.05 -1.66 -0.43 0.00 -0.03 0.00 0.00 54.58 52.51 1n71 n ASN 9 Cb 0.11 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1n71 n ASN 9 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1n71 s ASN 10 N -1.25 6.37 0.29 6.41 3.84 -0.93 -4.91 114.94 124.76 1n71 s ASN 10 Ca 0.19 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.02 1n71 s ASN 10 Cb 0.13 -2.45 0.45 0.00 -0.55 0.00 0.00 41.25 38.83 1n71 s ASN 10 CO 0.19 -1.24 1.84 1.55 -2.79 0.00 0.00 177.10 176.65 1n71 h PRO 11 N 9.32 0.76 -0.37 0.43 0.13 -1.90 -2.26 132.00 138.10 1n71 h PRO 11 Ca -0.26 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1n71 h PRO 11 Cb 1.07 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1n71 h PRO 11 CO 1.09 0.70 -0.10 0.28 -0.23 0.00 0.00 178.00 179.75 1n71 h VAL 12 N 0.74 1.28 -0.72 1.56 2.07 -1.98 -1.57 116.25 117.62 1n71 h VAL 12 Ca 0.16 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1n71 h VAL 12 Cb 0.29 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1n71 h VAL 12 CO -0.00 0.39 0.29 0.25 0.02 0.00 0.00 177.57 178.52 1n71 h LEU 13 N 0.52 0.98 -1.16 2.57 5.85 -1.90 -1.81 115.31 120.36 1n71 h LEU 13 Ca 0.09 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1n71 h LEU 13 Cb 0.61 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1n71 h LEU 13 CO 0.04 0.86 -0.04 0.11 -0.34 0.00 0.00 178.44 179.07 1n71 h LYS 14 N 1.04 0.54 -0.29 1.25 1.57 -1.18 -0.79 116.57 118.71 1n71 h LYS 14 Ca 0.24 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1n71 h LYS 14 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1n71 h LYS 14 CO -0.02 0.60 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.61 1n71 h ASP 15 N 0.51 0.73 -0.41 0.86 3.32 -0.57 0.07 116.42 120.94 1n71 h ASP 15 Ca 0.10 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 1n71 h ASP 15 Cb 0.39 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1n71 h ASP 15 CO 0.02 1.05 -0.17 1.56 -1.72 0.00 0.00 179.24 179.98 1n71 h GLN 16 N 0.57 0.90 -0.34 3.56 4.20 -0.92 0.21 115.11 123.28 1n71 h GLN 16 Ca 0.05 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1n71 h GLN 16 Cb 0.93 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1n71 h GLN 16 CO 0.08 0.99 0.10 1.25 -0.67 0.00 0.00 178.83 180.59 1n71 h LEU 17 N 0.79 0.50 -0.45 1.46 5.85 -0.91 0.11 115.31 122.66 1n71 h LEU 17 Ca 0.12 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1n71 h LEU 17 Cb 0.70 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1n71 h LEU 17 CO 0.05 0.58 0.23 -1.28 -0.34 0.00 0.00 178.44 177.69 1n71 h SER 18 N 0.40 0.34 -0.00 1.25 0.87 -0.71 -0.52 113.55 115.17 1n71 h SER 18 Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1n71 h SER 18 Cb 0.26 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1n71 h SER 18 CO -0.00 0.24 -0.02 0.44 -0.53 0.00 0.00 176.83 176.96 1n71 h ASP 19 N 0.46 -0.06 -0.83 6.23 3.45 -0.55 -1.80 116.42 123.33 1n71 h ASP 19 Ca 0.19 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.69 1n71 h ASP 19 Cb 0.09 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 1n71 h ASP 19 CO -0.13 -0.03 0.55 0.25 -1.57 0.00 0.00 179.24 178.30 1n71 h LEU 20 N -0.03 0.91 -0.62 1.55 5.85 -0.40 -1.50 115.31 121.06 1n71 h LEU 20 Ca 0.01 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1n71 h LEU 20 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1n71 h LEU 20 CO -0.03 0.64 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.33 1n71 h LEU 21 N 1.07 0.77 -0.70 2.25 3.38 -0.82 -1.42 115.31 119.83 1n71 h LEU 21 Ca 0.32 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1n71 h LEU 21 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1n71 h LEU 21 CO -0.09 1.03 -0.30 0.03 0.09 0.00 0.00 178.44 179.20 1n71 h ARG 22 N 0.63 0.00 0.07 1.13 3.08 -0.82 0.39 114.38 118.86 1n71 h ARG 22 Ca 0.07 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1n71 h ARG 22 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1n71 h ARG 22 CO 0.07 0.30 -1.33 -0.07 -1.07 0.00 0.00 179.97 177.88 1n71 h LEU 23 N 0.00 0.24 0.22 3.04 3.38 -1.13 -2.30 115.31 118.76 1n71 h LEU 23 Ca -0.00 -0.30 -0.34 0.00 0.09 0.00 0.00 57.88 57.33 1n71 h LEU 23 Cb 0.96 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.66 1n71 h LEU 23 CO 0.04 1.24 -1.57 0.74 0.09 0.00 0.00 178.44 178.98 1n71 h THR 24 N 0.04 1.16 -2.04 0.22 2.02 -1.19 -3.40 112.91 109.72 1n71 h THR 24 Ca -0.15 -2.66 -0.56 0.00 0.77 0.00 0.00 66.41 63.80 1n71 h THR 24 Cb 1.93 2.92 -0.40 0.00 -1.74 0.00 0.00 68.15 70.87 1n71 h THR 24 CO 0.15 0.83 -1.01 0.79 0.37 0.00 0.00 175.52 176.66 1n71 n TRP 25 N -3.65 0.53 0.31 3.16 8.01 0.12 -4.96 117.44 120.97 1n71 n TRP 25 Ca -0.19 -3.70 0.18 0.00 -1.31 0.00 0.00 57.50 52.48 1n71 n TRP 25 Cb 1.09 -0.40 1.03 0.00 -2.01 0.00 0.00 31.31 31.02 1n71 n TRP 25 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1n71 h PRO 26 N 3.95 0.00 0.01 -0.99 0.13 -1.57 0.35 132.00 133.87 1n71 h PRO 26 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.02 1n71 h PRO 26 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1n71 h PRO 26 CO 0.54 0.00 -0.96 0.93 -0.23 0.00 0.00 178.00 178.28 1n71 h GLU 27 N 0.00 0.03 0.00 0.86 4.39 -1.93 -3.34 114.58 114.60 1n71 h GLU 27 Ca 0.01 -0.04 -0.32 0.00 0.34 0.00 0.00 59.36 59.35 1n71 h GLU 27 Cb 0.07 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 1n71 h GLU 27 CO -0.00 0.97 -1.93 -1.91 -1.16 0.00 0.00 179.01 174.98 1n71 n GLU 28 N -3.43 0.65 -3.97 2.33 2.13 -0.65 -4.81 120.64 112.90 1n71 n GLU 28 Ca -0.01 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.68 1n71 n GLU 28 Cb 0.90 -1.71 -0.14 0.00 0.27 0.00 0.00 31.44 30.76 1n71 n GLU 28 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1n71 s TYR 29 N -2.56 3.47 0.00 4.31 2.02 0.02 -5.02 117.35 119.58 1n71 s TYR 29 Ca -0.07 -2.43 0.00 0.00 -0.37 0.00 0.00 57.07 54.20 1n71 s TYR 29 Cb 0.07 -2.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 1n71 s TYR 29 CO 0.82 -0.90 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1n71 n GLY 30 N 4.45 2.07 0.20 0.71 0.00 -1.26 -4.50 105.19 106.86 1n71 n GLY 30 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1n71 n GLY 30 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1n71 h ASP 31 N 0.00 0.06 -0.29 1.61 1.82 -1.97 -1.79 116.42 115.87 1n71 h ASP 31 Ca 0.00 0.08 -0.20 0.00 -0.39 0.00 0.00 57.03 56.52 1n71 h ASP 31 Cb 0.00 0.09 -0.08 0.00 0.68 0.00 0.00 39.33 40.03 1n71 h ASP 31 CO 0.00 0.06 0.15 -1.20 -1.61 0.00 0.00 179.24 176.64 1n71 n SER 32 N -5.08 5.87 -0.03 2.28 7.64 -1.26 -4.38 113.62 118.67 1n71 n SER 32 Ca 0.05 -2.75 -0.14 0.00 1.01 0.00 0.00 58.87 57.05 1n71 n SER 32 Cb 0.23 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.26 1n71 n SER 32 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1n71 h SER 33 N 1.63 0.84 -0.42 6.43 0.87 -1.67 -3.01 113.55 118.23 1n71 h SER 33 Ca 0.17 -0.50 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1n71 h SER 33 Cb 1.00 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1n71 h SER 33 CO 0.40 1.28 0.11 0.00 -0.53 0.00 0.00 176.83 178.09 1n71 h ALA 34 N 0.72 1.28 -0.42 6.23 0.00 -1.85 -1.99 119.26 123.24 1n71 h ALA 34 Ca -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1n71 h ALA 34 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1n71 h ALA 34 CO 0.13 0.50 0.05 1.49 0.00 0.00 0.00 179.25 181.42 1n71 h GLU 35 N 0.72 0.71 -0.02 0.00 4.57 -1.89 -1.68 114.58 116.99 1n71 h GLU 35 Ca 0.16 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1n71 h GLU 35 Cb 0.28 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1n71 h GLU 35 CO -0.00 0.76 -0.21 0.93 -1.18 0.00 0.00 179.01 179.31 1n71 h GLU 36 N 0.55 0.03 -0.27 1.92 5.08 -1.35 -2.02 114.58 118.53 1n71 h GLU 36 Ca 0.12 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1n71 h GLU 36 Cb 0.41 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1n71 h GLU 36 CO 0.01 0.24 -0.55 0.28 -1.00 0.00 0.00 179.01 177.99 1n71 h VAL 37 N 0.03 1.28 -0.47 3.13 2.07 -0.96 -2.95 116.25 118.38 1n71 h VAL 37 Ca 0.00 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1n71 h VAL 37 Cb 0.39 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1n71 h VAL 37 CO 0.03 0.57 0.11 -0.33 0.02 0.00 0.00 177.57 177.96 1n71 h GLU 38 N 0.64 0.71 -0.71 1.57 4.39 -0.72 -1.78 114.58 118.68 1n71 h GLU 38 Ca 0.01 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1n71 h GLU 38 Cb 1.16 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1n71 h GLU 38 CO 0.12 0.65 0.39 0.93 -1.16 0.00 0.00 179.01 179.94 1n71 h GLU 39 N 0.69 0.97 0.00 2.33 5.08 -1.27 -0.38 114.58 122.00 1n71 h GLU 39 Ca 0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1n71 h GLU 39 Cb 0.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1n71 h GLU 39 CO -0.00 0.71 0.00 -1.33 -1.00 0.00 0.00 179.01 177.39 1n71 n MET 40 N -4.37 0.12 0.00 2.33 2.81 -0.69 -2.22 117.12 115.10 1n71 n MET 40 Ca 0.07 0.36 0.13 0.00 -1.81 0.00 0.00 57.70 56.45 1n71 n MET 40 Cb 0.10 -1.73 0.31 0.00 -0.71 0.00 0.00 33.22 31.18 1n71 n MET 40 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1n71 n MET 41 N -1.96 0.80 -1.54 0.03 2.81 -0.16 -4.75 117.12 112.35 1n71 n MET 41 Ca 0.03 -0.51 -0.48 0.00 -1.81 0.00 0.00 57.70 54.93 1n71 n MET 41 Cb 0.20 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 1n71 n MET 41 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1n71 n ASN 42 N -0.66 0.79 -0.13 7.83 2.85 -0.94 -4.84 115.26 120.15 1n71 n ASN 42 Ca 0.11 1.15 0.20 0.00 -0.11 0.00 0.00 54.58 55.93 1n71 n ASN 42 Cb 0.36 -1.16 0.61 0.00 1.24 0.00 0.00 39.78 40.82 1n71 n ASN 42 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1n71 h PRO 43 N 2.62 0.19 0.00 1.20 0.11 -1.93 -1.04 132.00 133.15 1n71 h PRO 43 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1n71 h PRO 43 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1n71 h PRO 43 CO 0.65 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.62 1n71 h GLU 44 N 0.20 0.00 -6.70 1.05 4.11 -1.98 -3.45 114.58 107.81 1n71 h GLU 44 Ca 0.36 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.30 1n71 h GLU 44 Cb 1.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.39 1n71 h GLU 44 CO -0.07 0.00 -0.05 1.03 0.07 0.00 0.00 179.01 179.99 1n71 s ARG 45 N -3.33 3.53 -0.14 1.06 0.52 -0.40 -4.51 118.95 115.69 1n71 s ARG 45 Ca 0.06 -0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.14 1n71 s ARG 45 Cb 0.09 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1n71 s ARG 45 CO 0.54 0.00 0.11 0.42 0.02 0.00 0.00 175.30 176.39 1n71 s ILE 46 N -2.47 5.24 -0.10 1.52 1.01 -0.70 -4.90 121.20 120.80 1n71 s ILE 46 Ca 0.44 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.19 1n71 s ILE 46 Cb -0.10 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1n71 s ILE 46 CO 0.39 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.89 1n71 s ALA 47 N -0.52 0.84 -0.01 9.38 0.00 -1.26 -1.75 121.76 128.44 1n71 s ALA 47 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.82 1n71 s ALA 47 Cb -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1n71 s ALA 47 CO 0.02 -0.61 -0.15 0.08 0.00 0.00 0.00 175.76 175.09 1n71 s VAL 48 N 1.92 1.18 0.07 0.00 1.01 0.01 -1.13 120.40 123.47 1n71 s VAL 48 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1n71 s VAL 48 Cb -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1n71 s VAL 48 CO -0.06 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 1n71 s ALA 49 N -0.39 0.82 -0.25 5.51 0.00 -0.30 -0.66 121.76 126.49 1n71 s ALA 49 Ca 0.06 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1n71 s ALA 49 Cb -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1n71 s ALA 49 CO -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 175.76 175.69 1n71 s ALA 50 N -2.43 3.04 -0.09 0.00 0.00 -0.19 -1.72 121.76 120.37 1n71 s ALA 50 Ca 0.01 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1n71 s ALA 50 Cb -0.03 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1n71 s ALA 50 CO -0.02 -0.59 -0.16 0.08 0.00 0.00 0.00 175.76 175.07 1n71 s VAL 51 N 1.55 1.47 -0.45 0.00 1.01 -0.73 -0.80 120.40 122.44 1n71 s VAL 51 Ca 0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1n71 s VAL 51 Cb -0.15 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 34.99 1n71 s VAL 51 CO 0.01 0.43 0.32 -0.62 0.00 0.00 0.00 175.10 175.25 1n71 s ASP 52 N 0.78 5.75 0.00 3.32 -1.08 -0.06 0.11 116.67 125.49 1n71 s ASP 52 Ca -0.11 -1.66 0.00 0.00 -0.52 0.00 0.00 52.55 50.26 1n71 s ASP 52 Cb -0.16 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1n71 s ASP 52 CO 0.02 -0.63 0.00 0.00 0.52 0.00 0.00 175.17 175.08 1n71 n GLN 53 N 4.96 0.00 0.00 4.34 10.64 -1.26 -1.21 117.38 134.85 1n71 n GLN 53 Ca -0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1n71 n GLN 53 Cb 0.42 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 1n71 n GLN 53 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1n71 n ASP 54 N 0.00 0.00 -4.76 2.61 5.75 -1.26 -5.05 116.55 113.84 1n71 n ASP 54 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 1n71 n ASP 54 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1n71 n ASP 54 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1n71 s GLU 55 N 0.00 4.18 -0.41 0.11 2.12 -0.35 -5.01 118.70 119.33 1n71 s GLU 55 Ca 0.00 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 1n71 s GLU 55 Cb 0.00 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1n71 s GLU 55 CO 0.00 0.34 1.21 -1.17 -0.54 0.00 0.00 175.26 175.11 1n71 s LEU 56 N 0.06 3.71 -0.02 2.70 2.96 -1.26 -0.88 118.68 125.94 1n71 s LEU 56 Ca 0.23 0.74 0.21 0.00 -0.22 0.00 0.00 54.13 55.09 1n71 s LEU 56 Cb -0.15 -3.55 -0.32 0.00 0.50 0.00 0.00 46.19 42.68 1n71 s LEU 56 CO 0.09 -1.21 0.54 1.33 -1.32 0.00 0.00 176.35 175.78 1n71 n VAL 57 N 6.65 0.00 -3.45 1.68 0.24 0.02 -4.86 118.33 118.60 1n71 n VAL 57 Ca 0.13 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1n71 n VAL 57 Cb 0.48 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.00 1n71 n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1n71 s GLY 58 N -4.22 -0.57 -0.15 7.63 0.00 -0.99 -0.82 107.32 108.20 1n71 s GLY 58 Ca -0.05 0.72 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 1n71 s GLY 58 CO 0.89 0.29 0.48 -0.12 0.00 0.00 0.00 173.10 174.63 1n71 s PHE 59 N -3.33 -0.49 -0.04 1.90 5.36 -0.26 -1.02 117.98 120.10 1n71 s PHE 59 Ca 0.01 1.14 -0.05 0.00 -0.96 0.00 0.00 56.93 57.08 1n71 s PHE 59 Cb -0.01 0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.87 1n71 s PHE 59 CO -0.10 -0.30 0.12 -1.50 -1.46 0.00 0.00 175.22 171.98 1n71 s ILE 60 N -0.08 0.02 0.25 3.12 2.07 0.17 -1.41 121.20 125.34 1n71 s ILE 60 Ca -0.03 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1n71 s ILE 60 Cb -0.03 -0.22 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 1n71 s ILE 60 CO 0.02 -0.07 0.11 -0.83 -1.91 0.00 0.00 174.94 172.26 1n71 s GLY 61 N -0.19 1.71 -0.11 1.50 0.00 -0.26 -0.81 107.32 109.16 1n71 s GLY 61 Ca -0.03 -1.83 -0.13 0.00 0.00 0.00 0.00 44.72 42.73 1n71 s GLY 61 CO 0.00 -1.56 0.36 0.00 0.00 0.00 0.00 173.10 171.90 1n71 s ALA 62 N -3.82 -0.88 -0.12 3.20 0.00 -0.72 -1.23 121.76 118.19 1n71 s ALA 62 Ca 0.38 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1n71 s ALA 62 Cb 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1n71 s ALA 62 CO 0.14 -0.20 -0.23 0.42 0.00 0.00 0.00 175.76 175.89 1n71 s ILE 63 N -0.20 2.06 -0.21 0.00 1.01 0.17 -1.71 121.20 122.33 1n71 s ILE 63 Ca -0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1n71 s ILE 63 Cb -0.03 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 1n71 s ILE 63 CO 0.02 0.55 1.18 -2.16 0.00 0.00 0.00 174.94 174.53 1n71 s PRO 64 N 0.58 4.21 -0.06 2.79 0.04 -1.26 -0.54 135.00 140.76 1n71 s PRO 64 Ca -0.13 1.49 0.08 0.00 0.04 0.00 0.00 61.00 62.48 1n71 s PRO 64 Cb -0.17 -3.73 -0.11 0.00 0.04 0.00 0.00 34.50 30.54 1n71 s PRO 64 CO 0.03 -0.72 0.08 1.04 0.04 0.00 0.00 177.00 177.48 1n71 n GLN 65 N 6.57 1.87 -3.89 4.56 1.13 -0.15 -4.86 117.38 122.62 1n71 n GLN 65 Ca 0.13 -0.03 -0.30 0.00 -1.94 0.00 0.00 57.00 54.86 1n71 n GLN 65 Cb 0.45 -1.20 -0.14 0.00 0.11 0.00 0.00 30.24 29.46 1n71 n GLN 65 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1n71 s TYR 66 N -2.33 2.89 0.00 1.08 1.51 -0.74 -5.01 117.35 114.75 1n71 s TYR 66 Ca -0.04 -2.69 0.00 0.00 -1.01 0.00 0.00 57.07 53.33 1n71 s TYR 66 Cb 0.03 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1n71 s TYR 66 CO 0.33 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 174.33 1n71 n GLY 67 N 3.96 3.13 0.05 0.71 0.00 -1.26 -1.67 105.19 110.11 1n71 n GLY 67 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1n71 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n71 n ILE 68 N 0.00 1.09 -0.02 -0.61 -5.35 -1.26 -4.67 119.36 108.54 1n71 n ILE 68 Ca 0.00 -1.13 -0.14 0.00 -0.27 0.00 0.00 62.75 61.22 1n71 n ILE 68 Cb 0.00 0.42 -0.14 0.00 -1.74 0.00 0.00 39.64 38.18 1n71 n ILE 68 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1n71 n THR 69 N -0.53 1.65 -4.00 7.28 -2.24 -0.67 -2.47 114.28 113.30 1n71 n THR 69 Ca 0.02 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 60.72 1n71 n THR 69 Cb 0.30 -1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 67.13 1n71 n THR 69 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n71 s GLY 70 N -5.37 1.52 -0.03 3.38 0.00 -0.80 0.09 107.32 106.12 1n71 s GLY 70 Ca -0.13 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.47 1n71 s GLY 70 CO 0.80 0.37 -0.25 -0.98 0.00 0.00 0.00 173.10 173.04 1n71 s TRP 71 N 1.40 2.39 -0.18 1.90 0.52 0.13 -0.98 118.94 124.12 1n71 s TRP 71 Ca 0.05 -0.47 -0.15 0.00 0.02 0.00 0.00 56.10 55.55 1n71 s TRP 71 Cb -0.14 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1n71 s TRP 71 CO -0.07 -0.05 0.35 -2.00 0.02 0.00 0.00 176.95 175.19 1n71 s GLU 72 N -0.53 4.22 -0.39 4.98 2.12 0.30 -0.63 118.70 128.76 1n71 s GLU 72 Ca 0.07 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.28 1n71 s GLU 72 Cb -0.11 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.82 1n71 s GLU 72 CO 0.00 0.09 1.01 -1.17 -0.54 0.00 0.00 175.26 174.65 1n71 s LEU 73 N 0.91 3.89 -0.30 2.70 2.96 0.36 -0.65 118.68 128.56 1n71 s LEU 73 Ca 0.18 0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 54.54 1n71 s LEU 73 Cb -0.14 -3.39 0.16 0.00 0.50 0.00 0.00 46.19 43.32 1n71 s LEU 73 CO 0.06 -0.98 1.01 -2.28 -1.32 0.00 0.00 176.35 172.84 1n71 s HIS 74 N 3.78 -0.58 0.19 5.38 2.46 -0.36 -4.74 115.29 121.42 1n71 s HIS 74 Ca 0.42 1.07 0.03 0.00 0.47 0.00 0.00 55.06 57.05 1n71 s HIS 74 Cb -0.11 0.35 0.03 0.00 -0.13 0.00 0.00 32.58 32.72 1n71 s HIS 74 CO 0.22 -0.29 0.23 -0.35 -2.47 0.00 0.00 174.74 172.08 1n71 n PRO 75 N 4.33 0.94 -3.64 2.88 -0.04 -1.26 -3.63 135.00 134.59 1n71 n PRO 75 Ca -0.13 -1.03 -0.14 0.00 -0.04 0.00 0.00 63.50 62.16 1n71 n PRO 75 Cb 0.55 -0.04 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 1n71 n PRO 75 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1n71 s LEU 76 N 0.00 -0.27 -0.14 1.53 2.96 -1.26 -1.11 118.68 120.40 1n71 s LEU 76 Ca 0.18 0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 1n71 s LEU 76 Cb -0.01 0.65 0.04 0.00 0.50 0.00 0.00 46.19 47.36 1n71 s LEU 76 CO 0.11 -0.25 0.36 0.54 -1.32 0.00 0.00 176.35 175.79 1n71 s VAL 77 N 2.40 -0.00 -0.03 1.68 0.11 -0.50 -5.01 120.40 119.05 1n71 s VAL 77 Ca 0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1n71 s VAL 77 Cb -0.12 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1n71 s VAL 77 CO -0.09 0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.85 1n71 s VAL 78 N 0.20 1.15 0.20 2.04 1.01 -1.26 -1.10 120.40 122.64 1n71 s VAL 78 Ca -0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.09 1n71 s VAL 78 Cb -0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 36.38 35.22 1n71 s VAL 78 CO 0.00 0.34 1.27 -0.62 0.00 0.00 0.00 175.10 176.10 1n71 n GLU 79 N 3.14 1.56 -0.27 2.72 1.02 0.00 -4.80 120.64 124.01 1n71 n GLU 79 Ca -0.18 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 1n71 n GLU 79 Cb 0.54 -2.12 0.22 0.00 -0.02 0.00 0.00 31.44 30.05 1n71 n GLU 79 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n71 h SER 80 N 3.75 0.19 0.14 1.62 4.64 -1.99 0.11 113.55 122.01 1n71 h SER 80 Ca -0.44 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1n71 h SER 80 Cb 1.31 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1n71 h SER 80 CO 0.73 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.17 1n71 n SER 81 N -5.07 0.00 -0.03 4.97 3.41 -1.26 -2.50 113.62 113.13 1n71 n SER 81 Ca 0.16 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1n71 n SER 81 Cb 0.50 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1n71 n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n71 n ARG 82 N -1.14 0.17 -1.41 4.33 5.12 0.37 -5.07 116.66 119.03 1n71 n ARG 82 Ca 0.10 -0.81 -0.29 0.00 -1.93 0.00 0.00 57.85 54.91 1n71 n ARG 82 Cb 0.09 -1.01 0.13 0.00 -1.16 0.00 0.00 32.46 30.51 1n71 n ARG 82 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1n71 s ARG 83 N -0.32 1.22 -1.65 5.56 0.52 -1.04 -4.01 118.95 119.23 1n71 s ARG 83 Ca 0.01 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1n71 s ARG 83 Cb 0.01 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.65 1n71 s ARG 83 CO 0.01 -2.19 0.00 1.63 0.02 0.00 0.00 175.30 174.77 1n71 n LYS 84 N -3.80 -1.46 -0.31 3.54 4.76 -1.26 -4.86 118.16 114.77 1n71 n LYS 84 Ca 0.06 0.94 0.05 0.00 -2.87 0.00 0.00 58.31 56.50 1n71 n LYS 84 Cb 0.57 -5.44 0.08 0.00 -1.84 0.00 0.00 35.03 28.40 1n71 n LYS 84 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1n71 n ASN 85 N -1.49 1.27 0.00 4.39 4.05 -1.26 -5.00 115.26 117.23 1n71 n ASN 85 Ca -0.22 -2.61 0.00 0.00 0.45 0.00 0.00 54.58 52.20 1n71 n ASN 85 Cb 0.66 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 41.34 1n71 n ASN 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n71 n GLN 86 N -0.75 -0.20 -0.19 1.20 1.13 -1.26 -4.91 117.38 112.40 1n71 n GLN 86 Ca 0.09 0.05 -0.06 0.00 -1.94 0.00 0.00 57.00 55.14 1n71 n GLN 86 Cb 0.68 -3.13 0.10 0.00 0.11 0.00 0.00 30.24 28.00 1n71 n GLN 86 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1n71 h ILE 87 N 0.00 1.25 -0.31 5.09 2.04 -1.94 -0.82 117.51 122.82 1n71 h ILE 87 Ca 0.00 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1n71 h ILE 87 Cb 0.10 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1n71 h ILE 87 CO 0.00 0.36 0.09 1.23 0.00 0.00 0.00 178.15 179.83 1n71 h GLY 88 N 1.03 0.52 0.86 5.37 0.00 -1.92 -1.14 103.07 107.79 1n71 h GLY 88 Ca 0.19 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.23 1n71 h GLY 88 CO 0.01 0.30 0.36 -0.84 0.00 0.00 0.00 176.54 176.37 1n71 h THR 89 N 0.33 1.06 -0.30 4.70 2.02 -1.92 -1.41 112.91 117.39 1n71 h THR 89 Ca 0.10 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1n71 h THR 89 Cb 0.27 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1n71 h THR 89 CO -0.00 0.13 -0.24 0.03 0.37 0.00 0.00 175.52 175.80 1n71 h ARG 90 N 0.71 0.59 -0.30 6.66 3.08 -0.99 -0.98 114.38 123.16 1n71 h ARG 90 Ca 0.24 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1n71 h ARG 90 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1n71 h ARG 90 CO -0.10 0.79 0.07 -0.07 -1.07 0.00 0.00 179.97 179.58 1n71 h LEU 91 N 0.52 0.46 -0.49 3.04 3.38 -0.78 -1.21 115.31 120.22 1n71 h LEU 91 Ca 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1n71 h LEU 91 Cb 0.70 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1n71 h LEU 91 CO 0.05 0.57 0.15 0.58 0.09 0.00 0.00 178.44 179.88 1n71 h VAL 92 N 0.32 1.23 -0.88 1.22 2.07 -1.12 -0.71 116.25 118.39 1n71 h VAL 92 Ca 0.09 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1n71 h VAL 92 Cb 0.30 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1n71 h VAL 92 CO 0.00 0.28 0.55 0.78 0.02 0.00 0.00 177.57 179.20 1n71 h ASN 93 N 0.67 1.04 -0.49 0.57 -0.26 -1.06 0.38 115.58 116.42 1n71 h ASN 93 Ca 0.16 -0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.75 1n71 h ASN 93 Cb 0.28 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 1n71 h ASN 93 CO -0.00 0.78 -0.06 0.22 -1.06 0.00 0.00 177.43 177.31 1n71 h TYR 94 N 1.20 0.99 -0.27 1.19 5.03 -1.00 -2.70 116.97 121.41 1n71 h TYR 94 Ca 0.32 -0.19 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1n71 h TYR 94 Cb -0.08 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 37.94 1n71 h TYR 94 CO -0.00 0.95 0.10 1.25 -1.32 0.00 0.00 178.16 179.13 1n71 h LEU 95 N 0.75 0.38 -1.16 2.82 5.85 -0.64 -2.31 115.31 121.00 1n71 h LEU 95 Ca 0.13 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1n71 h LEU 95 Cb 0.59 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1n71 h LEU 95 CO 0.04 0.47 0.58 -0.33 -0.34 0.00 0.00 178.44 178.85 1n71 h GLU 96 N 0.28 1.00 -0.41 1.25 5.08 -0.88 0.25 114.58 121.16 1n71 h GLU 96 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1n71 h GLU 96 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1n71 h GLU 96 CO -0.01 0.66 -0.03 0.87 -1.00 0.00 0.00 179.01 179.50 1n71 h LYS 97 N 1.03 0.74 -0.35 2.33 1.57 -1.29 -1.25 116.57 119.34 1n71 h LYS 97 Ca 0.38 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1n71 h LYS 97 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1n71 h LYS 97 CO -0.13 0.84 -0.39 1.49 -0.57 0.00 0.00 179.45 180.68 1n71 h GLU 98 N 0.57 0.86 -0.16 3.15 4.81 -0.78 -1.35 114.58 121.68 1n71 h GLU 98 Ca 0.11 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1n71 h GLU 98 Cb 0.53 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1n71 h GLU 98 CO 0.03 1.09 0.10 0.28 -0.73 0.00 0.00 179.01 179.78 1n71 h VAL 99 N 0.70 1.07 -0.71 0.32 2.07 -0.47 -2.27 116.25 116.96 1n71 h VAL 99 Ca 0.06 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1n71 h VAL 99 Cb 0.97 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1n71 h VAL 99 CO 0.09 0.06 0.39 0.00 0.02 0.00 0.00 177.57 178.14 1n71 h ALA 100 N 1.02 0.96 -0.12 1.67 0.00 -1.10 -0.48 119.26 121.22 1n71 h ALA 100 Ca 0.06 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1n71 h ALA 100 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n71 h ALA 100 CO -0.01 0.07 0.09 0.66 0.00 0.00 0.00 179.25 180.05 1n71 h SER 101 N 0.71 0.06 -0.36 0.00 4.64 -0.85 -0.52 113.55 117.23 1n71 h SER 101 Ca 0.32 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1n71 h SER 101 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1n71 h SER 101 CO -0.20 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.34 1n71 n ARG 102 N -4.51 2.11 -0.22 4.77 1.74 -0.31 -4.89 116.66 115.35 1n71 n ARG 102 Ca -0.00 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1n71 n ARG 102 Cb 0.16 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1n71 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n71 n GLY 103 N 0.92 0.76 3.77 -0.13 0.00 -0.21 -4.91 105.19 105.40 1n71 n GLY 103 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1n71 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n71 s GLY 104 N -1.64 2.92 -0.08 -0.02 0.00 -0.47 -4.17 107.32 103.87 1n71 s GLY 104 Ca 0.00 1.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 1n71 s GLY 104 CO 0.00 1.75 -0.08 1.39 0.00 0.00 0.00 173.10 176.15 1n71 n ILE 105 N 0.21 0.45 -4.67 0.90 5.41 0.11 -4.44 119.36 117.34 1n71 n ILE 105 Ca 0.03 -0.15 -0.23 0.00 1.00 0.00 0.00 62.75 63.40 1n71 n ILE 105 Cb 0.44 -1.08 -0.15 0.00 -0.71 0.00 0.00 39.64 38.14 1n71 n ILE 105 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1n71 s THR 106 N -2.16 1.17 -0.10 1.39 2.01 -0.50 -0.92 115.64 116.52 1n71 s THR 106 Ca -0.11 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1n71 s THR 106 Cb 0.03 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1n71 s THR 106 CO 0.17 0.31 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.55 1n71 s ILE 107 N -0.38 2.05 0.27 1.82 1.01 -0.36 -0.69 121.20 124.92 1n71 s ILE 107 Ca 0.06 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1n71 s ILE 107 Cb -0.06 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1n71 s ILE 107 CO -0.00 0.56 0.02 -0.72 0.00 0.00 0.00 174.94 174.79 1n71 s TYR 108 N 0.40 1.73 0.18 3.97 1.13 0.19 -1.10 117.35 123.85 1n71 s TYR 108 Ca -0.18 -0.93 -0.20 0.00 -1.41 0.00 0.00 57.07 54.35 1n71 s TYR 108 Cb -0.18 -1.05 0.05 0.00 -1.10 0.00 0.00 41.96 39.68 1n71 s TYR 108 CO 0.08 -0.02 0.55 -0.48 -2.51 0.00 0.00 175.55 173.17 1n71 s LEU 109 N -3.38 -0.16 -0.15 -3.49 0.05 0.00 -0.48 118.68 111.07 1n71 s LEU 109 Ca 0.32 -0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.24 1n71 s LEU 109 Cb 0.07 2.34 0.02 0.00 -2.05 0.00 0.00 46.19 46.56 1n71 s LEU 109 CO 0.12 -1.02 -0.18 -0.83 -0.55 0.00 0.00 176.35 173.89 1n71 s GLY 110 N -2.82 1.24 -0.20 -3.48 0.00 -1.26 -0.92 107.32 99.88 1n71 s GLY 110 Ca 0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 1n71 s GLY 110 CO -0.07 0.27 -0.14 -1.08 0.00 0.00 0.00 173.10 172.07 1n71 s THR 111 N 1.17 2.43 0.37 0.90 -1.32 0.15 -4.88 115.64 114.47 1n71 s THR 111 Ca -0.00 -0.92 -0.14 0.00 -1.21 0.00 0.00 61.69 59.42 1n71 s THR 111 Cb -0.14 -2.10 -0.08 0.00 -1.51 0.00 0.00 72.50 68.67 1n71 s THR 111 CO -0.07 0.43 0.78 -1.81 -2.21 0.00 0.00 174.62 171.74 1n71 s ASP 112 N 1.32 6.69 -0.38 8.08 1.11 -1.26 -0.86 116.67 131.37 1n71 s ASP 112 Ca 0.03 1.28 0.03 0.00 0.18 0.00 0.00 52.55 54.08 1n71 s ASP 112 Cb -0.14 -2.38 0.11 0.00 1.07 0.00 0.00 42.92 41.58 1n71 s ASP 112 CO -0.09 -0.31 0.12 -0.62 1.18 0.00 0.00 175.17 175.44 1n71 s ASP 113 N -2.62 4.48 -0.01 0.27 -1.08 -0.64 -4.94 116.67 112.13 1n71 s ASP 113 Ca 0.54 -2.31 0.21 0.00 -0.52 0.00 0.00 52.55 50.48 1n71 s ASP 113 Cb -0.10 -1.48 -0.25 0.00 -1.46 0.00 0.00 42.92 39.63 1n71 s ASP 113 CO 0.23 -0.34 0.80 0.18 0.52 0.00 0.00 175.17 176.56 1n71 n LEU 114 N 4.03 0.75 -2.39 -1.34 4.77 -1.26 -3.86 117.00 117.70 1n71 n LEU 114 Ca 0.04 -0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 55.51 1n71 n LEU 114 Cb 0.39 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1n71 n LEU 114 CO 0.23 0.18 0.10 -0.90 -1.33 0.00 0.00 177.39 175.67 1n71 n ASP 115 N -1.69 3.49 -3.98 -1.43 5.75 -1.26 -4.98 116.55 112.45 1n71 n ASP 115 Ca 0.02 -3.05 -0.27 0.00 -0.01 0.00 0.00 54.79 51.49 1n71 n ASP 115 Cb 0.39 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1n71 n ASP 115 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1n71 n HIS 116 N -0.63 -1.69 0.33 2.11 -0.00 -1.26 -4.85 115.22 109.23 1n71 n HIS 116 Ca 0.28 0.76 0.12 0.00 -0.00 0.00 0.00 57.72 58.88 1n71 n HIS 116 Cb 0.88 -3.67 0.18 0.00 -0.00 0.00 0.00 29.99 27.38 1n71 n HIS 116 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1n71 h GLY 117 N -1.81 0.00 -2.68 1.57 0.00 -1.93 -3.41 103.07 94.80 1n71 h GLY 117 Ca -0.62 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.45 1n71 h GLY 117 CO 0.64 0.00 -0.64 -0.51 0.00 0.00 0.00 176.54 176.03 1n71 s THR 118 N -3.22 0.38 -1.15 4.70 -4.23 -1.26 -0.40 115.64 110.45 1n71 s THR 118 Ca 0.06 -1.96 0.16 0.00 -1.18 0.00 0.00 61.69 58.77 1n71 s THR 118 Cb 0.09 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.88 1n71 s THR 118 CO 0.69 -0.32 1.51 0.35 -0.54 0.00 0.00 174.62 176.30 1n71 n THR 119 N -0.24 0.76 0.57 3.99 -2.24 -0.83 -2.72 114.28 113.58 1n71 n THR 119 Ca -0.04 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1n71 n THR 119 Cb 0.64 -0.91 0.44 0.00 -2.10 0.00 0.00 70.33 68.40 1n71 n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n71 n LEU 120 N -1.42 0.74 -5.00 3.22 4.77 -1.26 -4.81 117.00 113.23 1n71 n LEU 120 Ca 0.05 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 1n71 n LEU 120 Cb 0.17 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1n71 n LEU 120 CO 0.14 -0.29 0.18 -0.94 -1.33 0.00 0.00 177.39 175.16 1n71 s SER 121 N -4.39 5.60 -1.54 -1.43 1.04 -1.10 -4.50 113.70 107.38 1n71 s SER 121 Ca 0.09 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 1n71 s SER 121 Cb 0.12 -0.70 0.01 0.00 0.10 0.00 0.00 66.02 65.55 1n71 s SER 121 CO 0.53 -0.82 0.42 0.00 0.98 0.00 0.00 173.24 174.35 1n71 n GLN 122 N -1.93 -3.84 -3.64 4.02 6.02 -0.80 -4.97 117.38 112.24 1n71 n GLN 122 Ca 0.08 0.86 -0.15 0.00 -0.01 0.00 0.00 57.00 57.78 1n71 n GLN 122 Cb 0.59 -5.65 -0.07 0.00 1.02 0.00 0.00 30.24 26.14 1n71 n GLN 122 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1n71 s THR 123 N -3.08 0.04 -0.62 5.09 -1.32 -1.26 -5.09 115.64 109.39 1n71 s THR 123 Ca 0.23 -0.30 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 1n71 s THR 123 Cb -0.11 -0.85 0.01 0.00 -1.51 0.00 0.00 72.50 70.04 1n71 s THR 123 CO 0.28 -0.16 1.51 -0.62 -2.21 0.00 0.00 174.62 173.41 1n71 s ASP 124 N -1.53 5.90 0.00 8.08 -1.08 -1.26 -4.66 116.67 122.12 1n71 s ASP 124 Ca -0.10 0.12 0.11 0.00 -0.52 0.00 0.00 52.55 52.17 1n71 s ASP 124 Cb -0.02 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.46 1n71 s ASP 124 CO 0.04 -1.92 1.21 0.18 0.52 0.00 0.00 175.17 175.20 1n71 n LEU 125 N 10.38 0.00 0.01 -1.34 4.77 -1.26 -1.92 117.00 127.63 1n71 n LEU 125 Ca 0.12 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1n71 n LEU 125 Cb 0.50 -0.23 0.32 0.00 -2.33 0.00 0.00 43.42 41.67 1n71 n LEU 125 CO 0.71 -0.15 0.55 -1.22 -1.33 0.00 0.00 177.39 175.95 1n71 n TYR 126 N -1.23 0.09 -3.55 -1.77 4.01 -1.26 -3.74 117.16 109.71 1n71 n TYR 126 Ca 0.06 0.03 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 1n71 n TYR 126 Cb 0.08 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.63 1n71 n TYR 126 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1n71 s GLU 127 N -3.03 3.77 -1.37 -0.72 2.02 -0.81 -4.37 118.70 114.19 1n71 s GLU 127 Ca 0.11 -0.42 -0.06 0.00 0.02 0.00 0.00 54.97 54.62 1n71 s GLU 127 Cb 0.17 -3.72 0.03 0.00 0.10 0.00 0.00 34.13 30.71 1n71 s GLU 127 CO 0.67 -0.30 0.90 0.72 0.02 0.00 0.00 175.26 177.27 1n71 n HIS 128 N 5.11 -2.21 -0.14 1.61 8.25 -1.26 -4.87 115.22 121.71 1n71 n HIS 128 Ca -0.13 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 58.11 1n71 n HIS 128 Cb 0.51 -4.45 -0.09 0.00 1.12 0.00 0.00 29.99 27.08 1n71 n HIS 128 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1n71 h THR 129 N -2.07 0.00 0.00 1.59 2.02 -1.76 -1.37 112.91 111.32 1n71 h THR 129 Ca -0.59 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1n71 h THR 129 Cb 1.36 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1n71 h THR 129 CO 0.59 0.00 -0.09 -0.26 0.37 0.00 0.00 175.52 176.12 1n71 h PHE 130 N -0.33 0.00 -0.28 3.16 0.04 -1.91 -1.92 116.94 115.70 1n71 h PHE 130 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1n71 h PHE 130 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1n71 h PHE 130 CO -0.74 0.09 -0.10 -0.44 -0.60 0.00 0.00 178.31 176.53 1n71 h ASP 131 N 0.00 0.57 -0.53 2.17 3.32 -1.78 -0.90 116.42 119.26 1n71 h ASP 131 Ca -0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.56 1n71 h ASP 131 Cb 0.70 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1n71 h ASP 131 CO 0.01 0.83 -0.06 0.11 -1.72 0.00 0.00 179.24 178.40 1n71 h LYS 132 N 0.31 0.98 -0.83 3.56 1.57 -1.06 -2.43 116.57 118.67 1n71 h LYS 132 Ca 0.07 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1n71 h LYS 132 Cb 0.59 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1n71 h LYS 132 CO 0.03 1.02 0.38 0.28 -0.57 0.00 0.00 179.45 180.59 1n71 h VAL 133 N 0.85 1.26 0.00 0.50 2.07 -1.30 -2.13 116.25 117.51 1n71 h VAL 133 Ca 0.14 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1n71 h VAL 133 Cb 0.62 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1n71 h VAL 133 CO 0.04 0.32 -0.17 0.00 0.02 0.00 0.00 177.57 177.79 1n71 h ALA 134 N 1.21 1.18 -0.21 1.67 0.00 -0.91 -3.02 119.26 119.18 1n71 h ALA 134 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1n71 h ALA 134 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n71 h ALA 134 CO -0.03 0.21 -0.04 -1.13 0.00 0.00 0.00 179.25 178.25 1n71 n SER 135 N -3.55 3.08 -4.64 0.00 3.41 -0.94 -5.05 113.62 105.93 1n71 n SER 135 Ca -0.01 -3.27 -0.41 0.00 -0.26 0.00 0.00 58.87 54.91 1n71 n SER 135 Cb 0.31 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 1n71 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n71 n ILE 136 N -0.91 2.51 -4.17 -1.33 3.06 -0.84 -4.99 119.36 112.69 1n71 n ILE 136 Ca 0.23 -0.50 -0.17 0.00 -2.50 0.00 0.00 62.75 59.82 1n71 n ILE 136 Cb 0.87 -1.28 -0.12 0.00 0.54 0.00 0.00 39.64 39.64 1n71 n ILE 136 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1n71 s GLN 137 N -2.08 0.71 -0.48 9.51 -0.21 -1.26 -4.98 119.66 120.86 1n71 s GLN 137 Ca 0.63 -0.79 -0.20 0.00 0.02 0.00 0.00 55.36 55.02 1n71 s GLN 137 Cb -0.54 -0.63 0.04 0.00 1.00 0.00 0.00 33.01 32.88 1n71 s GLN 137 CO 0.57 0.14 0.66 1.21 -2.12 0.00 0.00 175.29 175.75 1n71 s ASN 138 N -1.44 6.27 -0.01 5.90 3.84 -1.26 -1.95 114.94 126.29 1n71 s ASN 138 Ca -0.04 -0.62 -0.03 0.00 0.21 0.00 0.00 52.86 52.39 1n71 s ASN 138 Cb -0.09 -2.32 -0.27 0.00 -0.55 0.00 0.00 41.25 38.02 1n71 s ASN 138 CO 0.01 -0.88 0.80 -0.07 -2.79 0.00 0.00 177.10 174.17 1n71 h LEU 139 N 9.82 0.38 -4.77 3.21 3.38 -1.03 -3.41 115.31 122.89 1n71 h LEU 139 Ca -0.26 -0.56 -0.39 0.00 0.09 0.00 0.00 57.88 56.76 1n71 h LEU 139 Cb 1.09 -0.12 -0.41 0.00 0.09 0.00 0.00 40.66 41.31 1n71 h LEU 139 CO 0.94 1.47 -1.00 0.54 0.09 0.00 0.00 178.44 180.48 1n71 n ARG 140 N -3.43 2.37 -3.63 1.13 1.74 -0.76 -4.97 116.66 109.11 1n71 n ARG 140 Ca -0.18 -3.77 -0.21 0.00 -0.77 0.00 0.00 57.85 52.92 1n71 n ARG 140 Cb 1.05 -1.81 0.05 0.00 -1.02 0.00 0.00 32.46 30.72 1n71 n ARG 140 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1n71 n GLU 141 N -0.53 -5.68 -2.24 5.56 2.13 -1.26 -4.93 120.64 113.69 1n71 n GLU 141 Ca 0.22 0.70 -0.39 0.00 0.66 0.00 0.00 57.16 58.35 1n71 n GLU 141 Cb 0.84 -5.46 -0.02 0.00 0.27 0.00 0.00 31.44 27.07 1n71 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1n71 s HIS 142 N -3.52 3.03 -1.04 4.31 2.46 -1.26 -4.92 115.29 114.35 1n71 s HIS 142 Ca 0.09 1.52 0.08 0.00 0.47 0.00 0.00 55.06 57.22 1n71 s HIS 142 Cb -0.04 -3.46 0.34 0.00 -0.13 0.00 0.00 32.58 29.28 1n71 s HIS 142 CO 0.78 -1.48 1.24 -0.35 -2.47 0.00 0.00 174.74 172.46 1n71 n PRO 143 N 0.17 0.01 0.14 2.88 -0.04 -1.26 -3.00 135.00 133.90 1n71 n PRO 143 Ca 0.04 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1n71 n PRO 143 Cb 0.45 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.97 1n71 n PRO 143 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1n71 h TYR 144 N 0.00 0.21 -0.02 0.54 -0.00 -1.95 -0.14 116.97 115.61 1n71 h TYR 144 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 1n71 h TYR 144 Cb 0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.73 36.77 1n71 h TYR 144 CO 0.00 0.13 -0.52 1.49 -0.00 0.00 0.00 178.16 179.26 1n71 h GLU 145 N 0.23 0.06 -0.65 0.10 4.81 -1.94 -1.19 114.58 116.00 1n71 h GLU 145 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1n71 h GLU 145 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1n71 h GLU 145 CO -0.02 0.56 0.35 0.35 -0.73 0.00 0.00 179.01 179.53 1n71 h PHE 146 N 0.04 0.89 -0.16 0.92 3.57 -1.22 -1.12 116.94 119.86 1n71 h PHE 146 Ca -0.00 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 1n71 h PHE 146 Cb 0.94 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1n71 h PHE 146 CO 0.00 0.64 -0.66 1.88 -2.23 0.00 0.00 178.31 177.94 1n71 h TYR 147 N 0.88 0.81 -0.66 0.41 0.05 -1.22 -3.08 116.97 114.16 1n71 h TYR 147 Ca 0.23 -0.32 0.03 0.00 0.05 0.00 0.00 58.73 58.71 1n71 h TYR 147 Cb 0.04 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 1n71 h TYR 147 CO -0.01 1.10 0.41 0.93 -1.05 0.00 0.00 178.16 179.55 1n71 h GLU 148 N 0.45 0.79 0.00 4.88 5.08 -0.85 0.38 114.58 125.31 1n71 h GLU 148 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n71 h GLU 148 Cb 1.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1n71 h GLU 148 CO 0.13 0.52 0.00 1.63 -1.00 0.00 0.00 179.01 180.29 1n71 n LYS 149 N -4.69 0.10 -0.25 2.33 5.02 -0.46 -1.43 118.16 118.80 1n71 n LYS 149 Ca 0.07 0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.90 1n71 n LYS 149 Cb 0.08 -1.74 0.24 0.00 -0.02 0.00 0.00 35.03 33.59 1n71 n LYS 149 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n71 n LEU 150 N -1.94 3.53 0.00 -0.35 4.77 0.00 -4.95 117.00 118.07 1n71 n LEU 150 Ca 0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1n71 n LEU 150 Cb 0.14 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1n71 n LEU 150 CO 0.13 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1n71 n GLY 151 N 1.40 0.49 3.79 -0.72 0.00 -0.51 -5.08 105.19 104.56 1n71 n GLY 151 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1n71 n GLY 151 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n71 s TYR 152 N -2.00 3.68 0.01 1.61 1.51 -0.49 -4.73 117.35 116.93 1n71 s TYR 152 Ca 0.00 1.66 0.08 0.00 -1.01 0.00 0.00 57.07 57.80 1n71 s TYR 152 Cb 0.00 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.00 1n71 s TYR 152 CO 0.00 0.25 -0.24 0.21 -1.11 0.00 0.00 175.55 174.66 1n71 s LYS 153 N -2.03 1.81 -0.12 -0.62 2.20 -0.48 -3.90 119.74 116.60 1n71 s LYS 153 Ca 0.48 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 1n71 s LYS 153 Cb -0.18 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 1n71 s LYS 153 CO 0.23 0.49 1.58 0.42 -0.36 0.00 0.00 175.35 177.71 1n71 s ILE 154 N -0.65 3.74 -0.76 5.43 1.01 -1.26 -1.57 121.20 127.14 1n71 s ILE 154 Ca 0.10 0.87 0.06 0.00 0.00 0.00 0.00 60.65 61.68 1n71 s ILE 154 Cb -0.09 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.83 1n71 s ILE 154 CO 0.00 -0.14 0.80 1.33 0.00 0.00 0.00 174.94 176.93 1n71 n VAL 155 N 5.76 0.22 0.00 2.92 0.24 -0.18 -4.97 118.33 122.32 1n71 n VAL 155 Ca 0.17 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1n71 n VAL 155 Cb 0.44 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 1n71 n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n71 n GLY 156 N 0.31 0.47 3.12 7.63 0.00 -1.14 -5.01 105.19 110.58 1n71 n GLY 156 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1n71 n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n71 s VAL 157 N -2.00 0.07 -0.41 1.61 -7.23 -1.26 -0.87 120.40 110.31 1n71 s VAL 157 Ca 0.00 -0.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1n71 s VAL 157 Cb 0.00 -0.44 0.11 0.00 0.56 0.00 0.00 36.38 36.61 1n71 s VAL 157 CO 0.00 -0.33 0.15 -0.22 -0.31 0.00 0.00 175.10 174.39 1n71 s LEU 158 N -1.24 4.86 0.35 1.32 2.96 -0.31 -4.97 118.68 121.65 1n71 s LEU 158 Ca -0.13 -2.30 -0.29 0.00 -0.22 0.00 0.00 54.13 51.19 1n71 s LEU 158 Cb -0.07 -1.70 -0.11 0.00 0.50 0.00 0.00 46.19 44.81 1n71 s LEU 158 CO 0.02 -0.40 1.53 -2.84 -1.32 0.00 0.00 176.35 173.34 1n71 s PRO 159 N 0.72 4.10 -1.86 0.98 0.02 -1.26 -2.50 135.00 135.19 1n71 s PRO 159 Ca 0.12 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1n71 s PRO 159 Cb -0.21 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1n71 s PRO 159 CO -0.05 -0.58 0.00 0.09 -0.33 0.00 0.00 177.00 176.12 1n71 n ASN 160 N 1.05 -5.13 -0.11 2.53 3.02 -1.26 -4.90 115.26 110.46 1n71 n ASN 160 Ca 0.04 0.31 -0.05 0.00 -0.03 0.00 0.00 54.58 54.84 1n71 n ASN 160 Cb 0.38 -4.47 0.02 0.00 -0.61 0.00 0.00 39.78 35.11 1n71 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n71 h ALA 161 N 0.49 0.39 -0.64 5.41 0.00 -1.44 -2.70 119.26 120.78 1n71 h ALA 161 Ca -0.41 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1n71 h ALA 161 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1n71 h ALA 161 CO 0.55 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1n71 n ASN 162 N -5.11 5.05 0.00 0.00 3.02 -0.05 -5.02 115.26 113.15 1n71 n ASN 162 Ca 0.02 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1n71 n ASN 162 Cb 0.17 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1n71 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n71 n GLY 163 N 1.01 3.26 3.64 7.41 0.00 -1.02 -4.88 105.19 114.62 1n71 n GLY 163 Ca 0.27 -1.88 -0.50 0.00 0.00 0.00 0.00 46.02 43.91 1n71 n GLY 163 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n71 n TRP 164 N -1.42 1.93 -2.21 1.61 7.02 -1.26 -1.60 117.44 121.51 1n71 n TRP 164 Ca 0.00 0.43 -0.21 0.00 -1.02 0.00 0.00 57.50 56.70 1n71 n TRP 164 Cb 0.00 -2.45 -0.03 0.00 -2.42 0.00 0.00 31.31 26.41 1n71 n TRP 164 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1n71 n ASP 165 N 3.46 -5.81 -3.63 -0.99 8.00 -1.26 -4.89 116.55 111.43 1n71 n ASP 165 Ca 0.19 0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.52 1n71 n ASP 165 Cb 0.23 -4.89 -0.11 0.00 -0.02 0.00 0.00 41.12 36.34 1n71 n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n71 n LYS 166 N -2.86 1.26 -1.82 -1.24 5.02 -0.63 -1.90 118.16 115.99 1n71 n LYS 166 Ca -0.24 -3.97 -0.29 0.00 -2.02 0.00 0.00 58.31 51.79 1n71 n LYS 166 Cb 0.69 -2.00 0.08 0.00 -0.02 0.00 0.00 35.03 33.77 1n71 n LYS 166 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1n71 s PRO 167 N -1.03 2.22 -0.04 1.97 0.04 -1.25 -0.88 135.00 136.03 1n71 s PRO 167 Ca 0.30 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1n71 s PRO 167 Cb 0.02 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1n71 s PRO 167 CO -0.16 -1.46 -0.04 0.34 0.04 0.00 0.00 177.00 175.73 1n71 s ASP 168 N -4.37 4.88 -0.21 6.66 2.15 -1.04 -1.63 116.67 123.10 1n71 s ASP 168 Ca 0.61 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 1n71 s ASP 168 Cb -0.12 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.25 1n71 s ASP 168 CO 0.51 0.33 -0.08 -0.63 -0.17 0.00 0.00 175.17 175.13 1n71 s ILE 169 N -0.92 3.00 -0.11 4.11 1.01 -0.04 -1.16 121.20 127.09 1n71 s ILE 169 Ca 0.15 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1n71 s ILE 169 Cb -0.11 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1n71 s ILE 169 CO 0.05 0.43 0.55 0.26 0.00 0.00 0.00 174.94 176.22 1n71 s TRP 170 N 1.42 3.52 0.11 3.97 0.51 -0.05 -0.67 118.94 127.74 1n71 s TRP 170 Ca 0.05 0.99 0.06 0.00 -2.12 0.00 0.00 56.10 55.08 1n71 s TRP 170 Cb -0.14 -2.64 -0.04 0.00 -0.81 0.00 0.00 33.47 29.84 1n71 s TRP 170 CO -0.06 0.11 -0.16 -1.64 -0.51 0.00 0.00 176.95 174.70 1n71 s MET 171 N 0.80 1.00 0.11 4.98 -1.94 -0.10 -1.01 119.30 123.15 1n71 s MET 171 Ca 0.29 -1.16 -0.15 0.00 -1.71 0.00 0.00 55.69 52.97 1n71 s MET 171 Cb -0.16 -1.00 0.03 0.00 2.01 0.00 0.00 34.83 35.71 1n71 s MET 171 CO 0.12 0.21 0.35 0.00 -0.01 0.00 0.00 175.02 175.70 1n71 s ALA 172 N -1.72 -0.79 -0.14 3.03 0.00 -0.61 -0.82 121.76 120.72 1n71 s ALA 172 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1n71 s ALA 172 Cb -0.07 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1n71 s ALA 172 CO 0.03 -0.59 0.35 0.21 0.00 0.00 0.00 175.76 175.77 1n71 s LYS 173 N -3.63 0.37 -0.21 0.00 2.20 -0.26 -1.38 119.74 116.84 1n71 s LYS 173 Ca 0.02 0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 56.06 1n71 s LYS 173 Cb 0.02 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1n71 s LYS 173 CO -0.10 -0.11 0.47 0.99 -0.36 0.00 0.00 175.35 176.24 1n71 s THR 174 N 0.79 5.14 -2.61 3.43 2.01 -1.26 -1.22 115.64 121.92 1n71 s THR 174 Ca -0.05 0.84 0.26 0.00 0.31 0.00 0.00 61.69 63.05 1n71 s THR 174 Cb -0.06 -3.79 0.40 0.00 0.01 0.00 0.00 72.50 69.06 1n71 s THR 174 CO -0.06 0.20 1.56 2.30 -0.69 0.00 0.00 174.62 177.93 1n71 n ILE 175 N 4.55 0.00 -4.20 1.82 -5.35 -0.10 -4.92 119.36 111.16 1n71 n ILE 175 Ca -0.06 -0.32 -0.17 0.00 -0.27 0.00 0.00 62.75 61.92 1n71 n ILE 175 Cb 0.51 0.84 -0.11 0.00 -1.74 0.00 0.00 39.64 39.13 1n71 n ILE 175 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1n71 s ILE 176 N -2.04 1.17 0.51 7.28 -4.36 -1.26 -5.01 121.20 117.48 1n71 s ILE 176 Ca 0.34 -1.56 -0.23 0.00 -0.26 0.00 0.00 60.65 58.94 1n71 s ILE 176 Cb 0.21 -1.34 -0.07 0.00 1.25 0.00 0.00 42.46 42.51 1n71 s ILE 176 CO 0.34 -0.39 1.30 -2.65 0.24 0.00 0.00 174.94 173.78 1n71 n PRO 177 N 0.79 1.72 -2.53 0.37 -0.02 -1.26 -4.94 135.00 129.13 1n71 n PRO 177 Ca -0.17 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1n71 n PRO 177 Cb 0.56 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1n71 n PRO 177 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n71 s ARG 178 N -2.64 4.32 0.00 -0.52 3.52 -1.26 -5.22 118.95 117.14 1n71 s ARG 178 Ca 0.68 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1n71 s ARG 178 Cb -0.44 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 1n71 s ARG 178 CO 0.52 -0.53 0.24 -2.30 -0.81 0.00 0.00 175.30 172.43