#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 0.96 -0.25 3.17 -1.09 0.22 -4.96 121.20 119.24 1n71 s ILE 2 Ca 0.00 -0.50 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 1n71 s ILE 2 Cb 0.00 -0.82 -0.02 0.00 -1.58 0.00 0.00 42.46 40.04 1n71 s ILE 2 CO 0.00 0.28 0.06 -0.63 -1.23 0.00 0.00 174.94 173.42 1n71 s ILE 3 N -0.12 4.13 0.13 2.92 1.01 -1.26 -0.84 121.20 127.18 1n71 s ILE 3 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1n71 s ILE 3 Cb -0.06 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1n71 s ILE 3 CO 0.00 0.31 0.22 -1.54 0.00 0.00 0.00 174.94 173.93 1n71 n SER 4 N 4.90 -0.64 -4.76 3.58 3.41 -0.83 -4.99 113.62 114.29 1n71 n SER 4 Ca -0.16 -1.63 -0.41 0.00 -0.26 0.00 0.00 58.87 56.41 1n71 n SER 4 Cb 0.51 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 1n71 n SER 4 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n71 s GLU 5 N -2.17 4.28 0.17 4.33 0.41 -1.26 -1.24 118.70 123.23 1n71 s GLU 5 Ca 0.08 2.30 -0.31 0.00 -0.41 0.00 0.00 54.97 56.63 1n71 s GLU 5 Cb -0.01 -3.09 -0.09 0.00 -1.78 0.00 0.00 34.13 29.17 1n71 s GLU 5 CO 0.06 -0.36 1.37 0.12 -0.49 0.00 0.00 175.26 175.96 1n71 s PHE 6 N -0.44 3.21 -0.81 1.61 2.19 -0.15 -4.72 117.98 118.87 1n71 s PHE 6 Ca 0.56 1.07 -0.25 0.00 0.33 0.00 0.00 56.93 58.63 1n71 s PHE 6 Cb -0.42 -3.68 0.01 0.00 -1.31 0.00 0.00 43.02 37.63 1n71 s PHE 6 CO 0.48 -2.24 1.54 0.34 1.83 0.00 0.00 175.22 177.17 1n71 s ASP 7 N 0.66 5.93 0.09 6.13 -1.08 -1.26 -4.84 116.67 122.29 1n71 s ASP 7 Ca 0.60 -0.60 0.10 0.00 -0.52 0.00 0.00 52.55 52.14 1n71 s ASP 7 Cb -0.38 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.01 1n71 s ASP 7 CO 0.36 -1.99 1.32 0.54 0.52 0.00 0.00 175.17 175.92 1n71 n ARG 8 N 9.13 0.05 -0.12 4.34 1.74 -1.26 -1.70 116.66 128.84 1n71 n ARG 8 Ca 0.20 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.83 1n71 n ARG 8 Cb 0.50 -1.63 0.15 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.73 2.91 -4.51 0.55 3.02 -1.26 -4.89 115.26 109.35 1n71 n ASN 9 Ca 0.01 -1.85 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 1n71 n ASN 9 Cb 0.07 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.30 6.32 0.18 6.41 3.04 -0.69 -4.95 114.94 123.96 1n71 s ASN 10 Ca 0.28 -0.44 -0.13 0.00 0.04 0.00 0.00 52.86 52.61 1n71 s ASN 10 Cb 0.17 -2.39 0.15 0.00 -1.54 0.00 0.00 41.25 37.65 1n71 s ASN 10 CO 0.24 -1.07 1.78 -0.65 -3.04 0.00 0.00 177.10 174.35 1n71 h PRO 11 N 9.16 0.46 -0.32 0.43 0.11 -1.90 -1.91 132.00 138.03 1n71 h PRO 11 Ca -0.26 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 1n71 h PRO 11 Cb 1.08 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1n71 h PRO 11 CO 1.03 0.30 -0.32 -0.39 -0.21 0.00 0.00 178.00 178.41 1n71 h VAL 12 N 0.47 1.28 -0.55 3.15 -1.51 -1.98 -1.55 116.25 115.56 1n71 h VAL 12 Ca 0.23 -1.45 -0.10 0.00 -1.23 0.00 0.00 66.70 64.16 1n71 h VAL 12 Cb 0.17 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 1n71 h VAL 12 CO -0.18 0.47 -0.04 0.25 -1.23 0.00 0.00 177.57 176.84 1n71 h LEU 13 N 0.58 0.99 -1.25 4.19 5.85 -1.89 -1.07 115.31 122.71 1n71 h LEU 13 Ca 0.07 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1n71 h LEU 13 Cb 0.82 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1n71 h LEU 13 CO 0.07 1.08 0.09 0.11 -0.34 0.00 0.00 178.44 179.45 1n71 h LYS 14 N 0.88 0.61 -0.17 1.25 1.57 -1.12 -0.99 116.57 118.60 1n71 h LYS 14 Ca 0.15 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1n71 h LYS 14 Cb 0.59 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1n71 h LYS 14 CO 0.04 0.56 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.94 1n71 h ASP 15 N 0.59 0.38 -1.00 0.86 3.32 -0.80 -1.00 116.42 118.77 1n71 h ASP 15 Ca 0.14 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 56.81 1n71 h ASP 15 Cb 0.24 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1n71 h ASP 15 CO -0.00 0.72 0.65 1.56 -1.72 0.00 0.00 179.24 180.45 1n71 h GLN 16 N 0.04 1.20 -0.24 3.56 4.20 -0.89 0.11 115.11 123.08 1n71 h GLN 16 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1n71 h GLN 16 Cb 0.58 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1n71 h GLN 16 CO 0.03 0.80 0.07 1.25 -0.67 0.00 0.00 178.83 180.31 1n71 h LEU 17 N 1.24 0.35 -0.83 1.46 5.85 -1.04 0.83 115.31 123.17 1n71 h LEU 17 Ca 0.41 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1n71 h LEU 17 Cb 0.05 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1n71 h LEU 17 CO -0.14 0.46 0.54 -1.28 -0.34 0.00 0.00 178.44 177.68 1n71 h SER 18 N 0.22 0.90 -0.45 1.25 0.87 -0.38 -0.41 113.55 115.55 1n71 h SER 18 Ca 0.08 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1n71 h SER 18 Cb 0.24 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1n71 h SER 18 CO -0.00 0.63 -0.05 0.44 -0.53 0.00 0.00 176.83 177.32 1n71 h ASP 19 N 1.06 0.83 -0.47 6.23 3.32 -0.55 -2.61 116.42 124.23 1n71 h ASP 19 Ca 0.32 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1n71 h ASP 19 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1n71 h ASP 19 CO -0.10 0.96 0.08 0.25 -1.72 0.00 0.00 179.24 178.71 1n71 h LEU 20 N 0.67 0.79 -0.85 1.55 5.85 -0.27 -2.28 115.31 120.77 1n71 h LEU 20 Ca 0.12 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1n71 h LEU 20 Cb 0.57 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1n71 h LEU 20 CO 0.03 0.81 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.55 1n71 h LEU 21 N 0.80 0.48 -0.66 2.25 3.38 -1.00 -2.23 115.31 118.33 1n71 h LEU 21 Ca 0.17 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1n71 h LEU 21 Cb 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1n71 h LEU 21 CO 0.01 0.78 -0.52 0.03 0.09 0.00 0.00 178.44 178.83 1n71 h ARG 22 N 0.40 0.40 0.00 1.13 3.08 -1.14 0.05 114.38 118.30 1n71 h ARG 22 Ca 0.05 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 1n71 h ARG 22 Cb 0.77 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1n71 h ARG 22 CO 0.06 0.83 -0.65 -0.07 -1.07 0.00 0.00 179.97 179.07 1n71 h LEU 23 N 0.32 0.00 0.04 3.04 3.38 -1.25 -0.10 115.31 120.73 1n71 h LEU 23 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1n71 h LEU 23 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1n71 h LEU 23 CO 0.09 0.65 -1.70 0.74 0.09 0.00 0.00 178.44 178.30 1n71 h THR 24 N 0.00 0.89 -1.75 0.22 2.02 -1.31 -3.41 112.91 109.57 1n71 h THR 24 Ca -0.01 -2.68 -0.48 0.00 0.77 0.00 0.00 66.41 64.01 1n71 h THR 24 Cb 1.17 2.51 -0.36 0.00 -1.74 0.00 0.00 68.15 69.73 1n71 h THR 24 CO 0.08 0.65 -1.07 0.79 0.37 0.00 0.00 175.52 176.34 1n71 n TRP 25 N -3.21 -0.45 0.31 3.16 8.01 -0.01 -4.97 117.44 120.29 1n71 n TRP 25 Ca -0.19 -3.48 0.19 0.00 -1.31 0.00 0.00 57.50 52.71 1n71 n TRP 25 Cb 1.04 -0.14 1.03 0.00 -2.01 0.00 0.00 31.31 31.24 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 3.45 0.00 0.00 -0.99 0.13 -1.16 -0.08 132.00 133.34 1n71 h PRO 26 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1n71 h PRO 26 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1n71 h PRO 26 CO 0.45 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.03 1n71 h GLU 27 N 0.00 0.00 0.00 0.86 4.39 -1.93 -3.32 114.58 114.58 1n71 h GLU 27 Ca 0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1n71 h GLU 27 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1n71 h GLU 27 CO -0.00 0.00 -1.63 -1.91 -1.16 0.00 0.00 179.01 174.31 1n71 n GLU 28 N -2.59 1.37 -4.03 2.33 2.13 -0.50 -4.90 120.64 114.45 1n71 n GLU 28 Ca 0.04 -0.05 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 1n71 n GLU 28 Cb 0.48 -1.27 -0.15 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 -2.51 3.44 0.00 4.31 2.02 -0.16 -5.02 117.35 119.43 1n71 s TYR 29 Ca -0.05 -2.63 0.00 0.00 -0.37 0.00 0.00 57.07 54.03 1n71 s TYR 29 Cb 0.05 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 1n71 s TYR 29 CO 0.46 -0.91 0.00 0.41 -1.57 0.00 0.00 175.55 173.94 1n71 n GLY 30 N 4.36 3.18 0.35 0.71 0.00 -1.26 -4.47 105.19 108.06 1n71 n GLY 30 Ca -0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.17 -1.14 1.61 1.82 -1.96 -2.35 116.42 113.23 1n71 h ASP 31 Ca 0.00 0.21 -0.74 0.00 -0.39 0.00 0.00 57.03 56.11 1n71 h ASP 31 Cb 0.00 0.56 -0.12 0.00 0.68 0.00 0.00 39.33 40.44 1n71 h ASP 31 CO 0.00 -0.32 2.42 -1.20 -1.61 0.00 0.00 179.24 178.54 1n71 n SER 32 N -5.42 7.85 0.00 2.28 7.64 -1.26 -4.51 113.62 120.20 1n71 n SER 32 Ca 0.02 -3.13 -0.11 0.00 1.01 0.00 0.00 58.87 56.66 1n71 n SER 32 Cb 0.35 -1.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.03 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 4.69 0.10 -0.10 6.43 0.87 -1.77 -3.28 113.55 120.49 1n71 h SER 33 Ca 0.69 -0.19 -0.15 0.00 -1.23 0.00 0.00 61.79 60.90 1n71 h SER 33 Cb 0.33 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1n71 h SER 33 CO 1.50 1.17 -0.46 0.00 -0.53 0.00 0.00 176.83 178.51 1n71 h ALA 34 N 0.82 0.72 -0.56 6.23 0.00 -1.86 -2.76 119.26 121.86 1n71 h ALA 34 Ca -0.27 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1n71 h ALA 34 Cb 1.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1n71 h ALA 34 CO 0.09 0.67 -0.05 1.05 0.00 0.00 0.00 179.25 181.01 1n71 h GLU 35 N 0.52 1.00 -0.09 0.00 4.11 -1.92 -1.82 114.58 116.38 1n71 h GLU 35 Ca 0.03 -0.33 -0.08 0.00 0.07 0.00 0.00 59.36 59.05 1n71 h GLU 35 Cb 1.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1n71 h GLU 35 CO 0.09 1.01 -0.29 0.93 0.07 0.00 0.00 179.01 180.82 1n71 h GLU 36 N 0.91 0.16 -0.19 1.06 4.39 -1.60 -1.86 114.58 117.45 1n71 h GLU 36 Ca 0.15 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 1n71 h GLU 36 Cb 0.60 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1n71 h GLU 36 CO 0.04 0.44 -0.71 0.28 -1.16 0.00 0.00 179.01 177.90 1n71 h VAL 37 N 0.14 1.28 -0.45 3.13 2.07 -1.19 -2.98 116.25 118.25 1n71 h VAL 37 Ca 0.02 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.57 1n71 h VAL 37 Cb 0.60 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1n71 h VAL 37 CO 0.04 0.61 0.04 -0.08 0.02 0.00 0.00 177.57 178.20 1n71 h GLU 38 N 0.56 0.72 -0.38 1.57 4.57 -1.01 -1.50 114.58 119.11 1n71 h GLU 38 Ca -0.03 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1n71 h GLU 38 Cb 1.33 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1n71 h GLU 38 CO 0.15 0.70 0.14 1.49 -1.18 0.00 0.00 179.01 180.31 1n71 h GLU 39 N 0.68 0.53 0.00 1.92 4.57 -1.29 -0.59 114.58 120.40 1n71 h GLU 39 Ca 0.14 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1n71 h GLU 39 Cb 0.37 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1n71 h GLU 39 CO 0.01 0.45 0.00 0.52 -1.18 0.00 0.00 179.01 178.81 1n71 h MET 40 N 0.53 0.00 -0.01 1.92 2.86 -1.12 -2.54 114.93 116.57 1n71 h MET 40 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1n71 h MET 40 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1n71 h MET 40 CO -0.01 0.00 -0.10 -1.33 1.06 0.00 0.00 176.91 176.53 1n71 n MET 41 N -2.38 1.19 -1.58 1.72 2.81 -0.23 -4.77 117.12 113.88 1n71 n MET 41 Ca 0.02 -0.62 -0.49 0.00 -1.81 0.00 0.00 57.70 54.81 1n71 n MET 41 Cb 0.26 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 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 -0.37 1.38 -0.14 7.83 2.85 -0.96 -4.84 115.26 121.02 1n71 n ASN 42 Ca 0.17 1.14 0.26 0.00 -0.11 0.00 0.00 54.58 56.04 1n71 n ASN 42 Cb 0.32 -1.22 0.71 0.00 1.24 0.00 0.00 39.78 40.83 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 3.41 0.01 0.00 1.20 0.11 -1.92 -0.29 132.00 134.52 1n71 h PRO 43 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1n71 h PRO 43 Cb 1.34 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1n71 h PRO 43 CO 0.70 0.01 0.00 1.05 -0.21 0.00 0.00 178.00 179.55 1n71 h GLU 44 N 0.01 0.00 -6.84 1.05 4.11 -1.98 -3.45 114.58 107.48 1n71 h GLU 44 Ca 0.38 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.33 1n71 h GLU 44 Cb 1.52 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.80 1n71 h GLU 44 CO -0.01 0.00 0.04 1.03 0.07 0.00 0.00 179.01 180.14 1n71 s ARG 45 N -3.25 3.47 -0.12 1.06 0.52 -0.12 -4.50 118.95 116.01 1n71 s ARG 45 Ca 0.07 0.04 -0.05 0.00 -0.52 0.00 0.00 55.73 55.27 1n71 s ARG 45 Cb 0.09 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 1n71 s ARG 45 CO 0.59 -0.16 0.06 0.42 0.02 0.00 0.00 175.30 176.23 1n71 s ILE 46 N -2.66 4.83 -0.12 1.52 1.01 -0.61 -4.90 121.20 120.28 1n71 s ILE 46 Ca 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 1n71 s ILE 46 Cb -0.10 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.32 1n71 s ILE 46 CO 0.43 0.57 0.04 0.00 0.00 0.00 0.00 174.94 175.98 1n71 s ALA 47 N -0.60 0.64 0.01 9.38 0.00 -1.26 -1.95 121.76 127.98 1n71 s ALA 47 Ca 0.11 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1n71 s ALA 47 Cb -0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1n71 s ALA 47 CO 0.02 -0.79 -0.19 0.08 0.00 0.00 0.00 175.76 174.88 1n71 s VAL 48 N 2.01 1.55 0.07 0.00 1.01 -0.35 -0.98 120.40 123.71 1n71 s VAL 48 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1n71 s VAL 48 Cb -0.14 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1n71 s VAL 48 CO -0.06 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.29 1n71 s ALA 49 N -0.59 0.83 -0.28 5.51 0.00 -0.37 -1.19 121.76 125.66 1n71 s ALA 49 Ca 0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1n71 s ALA 49 Cb -0.08 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1n71 s ALA 49 CO 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 175.76 175.73 1n71 s ALA 50 N -2.34 3.03 -0.13 0.00 0.00 0.08 -1.96 121.76 120.44 1n71 s ALA 50 Ca 0.01 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1n71 s ALA 50 Cb -0.03 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1n71 s ALA 50 CO -0.01 -0.86 -0.21 0.08 0.00 0.00 0.00 175.76 174.75 1n71 s VAL 51 N 1.49 2.00 -0.27 0.00 1.01 -0.02 -1.02 120.40 123.59 1n71 s VAL 51 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1n71 s VAL 51 Cb -0.17 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1n71 s VAL 51 CO 0.02 0.54 0.01 -0.62 0.00 0.00 0.00 175.10 175.05 1n71 s ASP 52 N 0.79 4.75 0.61 3.32 -1.08 0.15 -0.61 116.67 124.59 1n71 s ASP 52 Ca -0.08 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 1n71 s ASP 52 Cb -0.16 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1n71 s ASP 52 CO -0.01 -0.16 0.00 0.00 0.52 0.00 0.00 175.17 175.52 1n71 n GLN 53 N 4.77 0.00 0.00 4.34 1.13 -1.26 -0.27 117.38 126.10 1n71 n GLN 53 Ca -0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 1n71 n GLN 53 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1n71 n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1n71 n ASP 54 N 7.79 0.52 -4.77 1.08 8.00 -1.26 -5.06 116.55 122.85 1n71 n ASP 54 Ca 0.00 -1.21 -0.38 0.00 0.71 0.00 0.00 54.79 53.91 1n71 n ASP 54 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1n71 n ASP 54 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n71 s GLU 55 N -0.21 4.19 -0.66 -1.24 2.12 0.63 -5.00 118.70 118.54 1n71 s GLU 55 Ca 0.00 0.49 -0.26 0.00 0.36 0.00 0.00 54.97 55.56 1n71 s GLU 55 Cb 0.00 -3.34 0.04 0.00 0.26 0.00 0.00 34.13 31.09 1n71 s GLU 55 CO 0.00 0.40 1.13 -1.17 -0.54 0.00 0.00 175.26 175.08 1n71 s LEU 56 N -0.18 3.68 0.12 2.70 2.96 -1.26 -0.67 118.68 126.03 1n71 s LEU 56 Ca 0.26 -0.47 0.17 0.00 -0.22 0.00 0.00 54.13 53.87 1n71 s LEU 56 Cb -0.16 -2.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 1n71 s LEU 56 CO 0.13 -1.57 0.97 -0.37 -1.32 0.00 0.00 176.35 174.19 1n71 h VAL 57 N 6.04 0.50 -3.00 1.68 -1.51 -1.44 -3.45 116.25 115.07 1n71 h VAL 57 Ca -0.27 -1.91 -0.02 0.00 -1.23 0.00 0.00 66.70 63.26 1n71 h VAL 57 Cb 1.06 2.04 -0.12 0.00 -2.13 0.00 0.00 31.29 32.14 1n71 h VAL 57 CO 1.21 0.29 0.18 -0.83 -1.23 0.00 0.00 177.57 177.18 1n71 s GLY 58 N -4.68 -0.58 -0.14 5.19 0.00 -0.99 0.23 107.32 106.35 1n71 s GLY 58 Ca -0.01 0.47 -0.16 0.00 0.00 0.00 0.00 44.72 45.02 1n71 s GLY 58 CO 0.80 0.15 0.44 -0.12 0.00 0.00 0.00 173.10 174.36 1n71 s PHE 59 N -3.64 -0.45 -0.04 1.90 5.36 -0.14 -0.74 117.98 120.23 1n71 s PHE 59 Ca 0.01 1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1n71 s PHE 59 Cb -0.01 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.85 1n71 s PHE 59 CO -0.12 -0.28 0.12 -1.50 -1.46 0.00 0.00 175.22 171.98 1n71 s ILE 60 N -0.10 0.01 0.24 3.12 2.07 -0.34 -1.18 121.20 125.02 1n71 s ILE 60 Ca -0.03 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1n71 s ILE 60 Cb -0.03 -0.20 -0.05 0.00 0.13 0.00 0.00 42.46 42.31 1n71 s ILE 60 CO 0.02 -0.03 0.08 -0.83 -1.91 0.00 0.00 174.94 172.27 1n71 s GLY 61 N -0.04 1.62 -0.10 1.50 0.00 -0.03 -1.22 107.32 109.05 1n71 s GLY 61 Ca -0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 42.78 1n71 s GLY 61 CO 0.00 -1.57 0.32 0.00 0.00 0.00 0.00 173.10 171.85 1n71 s ALA 62 N -3.76 -0.80 -0.12 3.20 0.00 -0.82 -0.73 121.76 118.73 1n71 s ALA 62 Ca 0.35 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1n71 s ALA 62 Cb 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1n71 s ALA 62 CO 0.12 -0.17 -0.22 0.42 0.00 0.00 0.00 175.76 175.90 1n71 s ILE 63 N -0.09 2.18 -0.25 0.00 1.01 0.46 -1.57 121.20 122.94 1n71 s ILE 63 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 1n71 s ILE 63 Cb -0.03 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1n71 s ILE 63 CO 0.01 0.55 1.29 -2.16 0.00 0.00 0.00 174.94 174.63 1n71 s PRO 64 N 0.48 4.04 -0.10 2.79 0.04 -1.26 -0.13 135.00 140.86 1n71 s PRO 64 Ca -0.15 1.42 0.10 0.00 0.04 0.00 0.00 61.00 62.41 1n71 s PRO 64 Cb -0.17 -3.84 -0.14 0.00 0.04 0.00 0.00 34.50 30.39 1n71 s PRO 64 CO 0.06 -0.96 0.05 1.04 0.04 0.00 0.00 177.00 177.23 1n71 n GLN 65 N 7.04 2.05 -3.91 4.56 1.13 -0.05 -4.86 117.38 123.35 1n71 n GLN 65 Ca 0.14 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.89 1n71 n GLN 65 Cb 0.46 -1.29 -0.15 0.00 0.11 0.00 0.00 30.24 29.38 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 -2.31 3.00 0.00 1.08 1.51 -0.66 -5.00 117.35 114.97 1n71 s TYR 66 Ca -0.05 -2.67 0.00 0.00 -1.01 0.00 0.00 57.07 53.34 1n71 s TYR 66 Cb 0.04 -2.52 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1n71 s TYR 66 CO 0.46 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 174.43 1n71 n GLY 67 N 4.15 3.09 0.21 0.71 0.00 -1.26 -1.29 105.19 110.79 1n71 n GLY 67 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.78 -0.00 -0.61 -5.35 -1.26 -4.67 119.36 108.25 1n71 n ILE 68 Ca 0.00 -0.89 -0.16 0.00 -0.27 0.00 0.00 62.75 61.43 1n71 n ILE 68 Cb 0.00 0.63 -0.14 0.00 -1.74 0.00 0.00 39.64 38.39 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 -0.06 1.72 -4.01 7.28 -2.24 -0.41 -2.76 114.28 113.79 1n71 n THR 69 Ca 0.04 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 1n71 n THR 69 Cb 0.27 -1.45 -0.14 0.00 -2.10 0.00 0.00 70.33 66.91 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 1.62 0.04 3.38 0.00 -0.58 -0.75 107.32 105.66 1n71 s GLY 70 Ca -0.15 -1.11 0.09 0.00 0.00 0.00 0.00 44.72 43.55 1n71 s GLY 70 CO 0.80 0.34 -0.26 -0.98 0.00 0.00 0.00 173.10 173.00 1n71 s TRP 71 N 1.29 2.27 -0.19 1.90 0.52 0.05 -0.87 118.94 123.91 1n71 s TRP 71 Ca 0.04 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.65 1n71 s TRP 71 Cb -0.14 -1.37 -0.05 0.00 -1.15 0.00 0.00 33.47 30.76 1n71 s TRP 71 CO -0.02 0.11 0.12 -2.00 0.02 0.00 0.00 176.95 175.19 1n71 s GLU 72 N -1.18 4.13 -0.43 4.98 2.12 0.82 -0.82 118.70 128.33 1n71 s GLU 72 Ca 0.11 -0.23 -0.26 0.00 0.36 0.00 0.00 54.97 54.96 1n71 s GLU 72 Cb -0.10 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.92 1n71 s GLU 72 CO 0.02 0.33 0.95 -1.17 -0.54 0.00 0.00 175.26 174.85 1n71 s LEU 73 N 0.28 3.96 -0.30 2.70 0.20 0.28 -0.41 118.68 125.39 1n71 s LEU 73 Ca 0.08 0.35 -0.15 0.00 0.69 0.00 0.00 54.13 55.09 1n71 s LEU 73 Cb -0.11 -3.27 0.16 0.00 -0.43 0.00 0.00 46.19 42.54 1n71 s LEU 73 CO -0.01 -1.00 0.99 -2.28 -0.29 0.00 0.00 176.35 173.76 1n71 s HIS 74 N 3.73 -0.63 0.32 5.38 2.46 0.09 -4.73 115.29 121.90 1n71 s HIS 74 Ca 0.39 1.13 0.05 0.00 0.47 0.00 0.00 55.06 57.10 1n71 s HIS 74 Cb -0.10 0.38 0.05 0.00 -0.13 0.00 0.00 32.58 32.77 1n71 s HIS 74 CO 0.24 -0.31 0.38 -0.35 -2.47 0.00 0.00 174.74 172.22 1n71 n PRO 75 N 4.60 0.86 -3.64 2.88 -0.04 -1.26 -3.67 135.00 134.73 1n71 n PRO 75 Ca -0.12 -1.80 -0.19 0.00 -0.04 0.00 0.00 63.50 61.35 1n71 n PRO 75 Cb 0.54 -0.02 -0.16 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.01 -0.11 1.53 2.96 -1.26 -0.85 118.68 120.96 1n71 s LEU 76 Ca 0.29 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1n71 s LEU 76 Cb -0.02 0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.85 1n71 s LEU 76 CO 0.18 -0.27 0.28 0.54 -1.32 0.00 0.00 176.35 175.77 1n71 s VAL 77 N 2.26 -0.01 -0.04 1.68 0.11 -0.32 -5.01 120.40 119.06 1n71 s VAL 77 Ca 0.04 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1n71 s VAL 77 Cb -0.13 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1n71 s VAL 77 CO -0.06 0.01 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.86 1n71 s VAL 78 N 0.43 1.37 -0.01 2.04 1.01 -1.26 -0.97 120.40 123.02 1n71 s VAL 78 Ca -0.02 -0.69 -0.38 0.00 0.00 0.00 0.00 61.98 60.90 1n71 s VAL 78 Cb -0.04 -1.18 -0.16 0.00 0.00 0.00 0.00 36.38 34.99 1n71 s VAL 78 CO -0.02 0.40 1.46 1.21 0.00 0.00 0.00 175.10 178.14 1n71 n GLU 79 N 3.16 1.18 -0.26 2.72 2.13 0.13 -4.79 120.64 124.92 1n71 n GLU 79 Ca -0.18 0.43 -0.04 0.00 0.66 0.00 0.00 57.16 58.03 1n71 n GLU 79 Cb 0.53 -2.09 0.02 0.00 0.27 0.00 0.00 31.44 30.17 1n71 n GLU 79 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1n71 h SER 80 N 5.32 -1.24 0.02 4.31 4.64 -1.99 0.25 113.55 124.86 1n71 h SER 80 Ca -0.47 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1n71 h SER 80 Cb 1.33 0.63 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1n71 h SER 80 CO 0.83 -0.30 0.00 -1.54 -0.87 0.00 0.00 176.83 174.95 1n71 n SER 81 N -5.45 0.00 -0.04 4.97 3.41 -1.26 -2.08 113.62 113.17 1n71 n SER 81 Ca 0.06 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1n71 n SER 81 Cb 0.37 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.02 1.50 -1.56 4.33 5.12 0.85 -5.06 116.66 120.81 1n71 n ARG 82 Ca 0.09 -1.16 -0.29 0.00 -1.93 0.00 0.00 57.85 54.55 1n71 n ARG 82 Cb 0.04 -1.02 0.11 0.00 -1.16 0.00 0.00 32.46 30.44 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 -0.64 1.66 -1.38 5.56 0.52 -0.88 -4.12 118.95 119.65 1n71 s ARG 83 Ca 0.02 0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.60 1n71 s ARG 83 Cb 0.01 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.62 1n71 s ARG 83 CO 0.01 -1.88 1.14 1.63 0.02 0.00 0.00 175.30 176.23 1n71 n LYS 84 N -3.58 -7.50 -0.42 3.54 4.76 -1.26 -4.87 118.16 108.83 1n71 n LYS 84 Ca 0.07 0.79 0.01 0.00 -2.87 0.00 0.00 58.31 56.31 1n71 n LYS 84 Cb 0.58 -5.82 0.01 0.00 -1.84 0.00 0.00 35.03 27.96 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 -3.00 0.16 0.00 4.39 4.05 -1.26 -5.01 115.26 114.60 1n71 n ASN 85 Ca -0.00 -1.97 0.00 0.00 0.45 0.00 0.00 54.58 53.06 1n71 n ASN 85 Cb 0.56 -0.19 0.00 0.00 1.23 0.00 0.00 39.78 41.38 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 -0.09 -0.19 -0.25 1.20 6.02 -1.26 -4.91 117.38 117.90 1n71 n GLN 86 Ca 0.01 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.97 1n71 n GLN 86 Cb 0.67 -3.15 0.04 0.00 1.02 0.00 0.00 30.24 28.82 1n71 n GLN 86 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1n71 h ILE 87 N 0.00 1.26 -0.32 5.09 2.04 -1.95 -1.41 117.51 122.23 1n71 h ILE 87 Ca 0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1n71 h ILE 87 Cb 0.10 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1n71 h ILE 87 CO 0.00 0.37 0.17 1.23 0.00 0.00 0.00 178.15 179.92 1n71 h GLY 88 N 1.04 0.48 0.92 5.37 0.00 -1.93 -1.13 103.07 107.82 1n71 h GLY 88 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1n71 h GLY 88 CO 0.00 0.21 0.15 -0.84 0.00 0.00 0.00 176.54 176.07 1n71 h THR 89 N 0.39 1.02 -0.67 4.70 2.02 -1.93 -1.70 112.91 116.74 1n71 h THR 89 Ca 0.11 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1n71 h THR 89 Cb 0.08 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1n71 h THR 89 CO -0.02 0.06 0.31 0.03 0.37 0.00 0.00 175.52 176.27 1n71 h ARG 90 N 0.32 0.96 -0.42 6.66 3.08 -1.05 -0.73 114.38 123.20 1n71 h ARG 90 Ca 0.11 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1n71 h ARG 90 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1n71 h ARG 90 CO -0.06 0.76 0.10 -0.07 -1.07 0.00 0.00 179.97 179.63 1n71 h LEU 91 N 0.96 0.65 -0.59 3.04 3.38 -0.89 -1.83 115.31 120.03 1n71 h LEU 91 Ca 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1n71 h LEU 91 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1n71 h LEU 91 CO -0.03 0.71 0.18 0.58 0.09 0.00 0.00 178.44 179.98 1n71 h VAL 92 N 0.55 1.24 -0.21 1.22 2.07 -0.90 -0.85 116.25 119.37 1n71 h VAL 92 Ca 0.13 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1n71 h VAL 92 Cb 0.32 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1n71 h VAL 92 CO 0.00 0.31 0.11 0.78 0.02 0.00 0.00 177.57 178.80 1n71 h ASN 93 N 0.84 0.27 -0.53 0.57 2.35 -1.01 0.41 115.58 118.49 1n71 h ASN 93 Ca 0.19 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1n71 h ASN 93 Cb 0.30 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1n71 h ASN 93 CO -0.00 0.29 0.32 0.22 -1.65 0.00 0.00 177.43 176.61 1n71 h TYR 94 N 0.23 0.60 -0.04 1.19 5.03 -1.24 -2.32 116.97 120.42 1n71 h TYR 94 Ca 0.07 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1n71 h TYR 94 Cb 0.09 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.17 1n71 h TYR 94 CO -0.03 0.35 0.03 1.25 -1.32 0.00 0.00 178.16 178.44 1n71 h LEU 95 N 0.64 0.05 -1.01 2.82 5.85 -0.81 -2.24 115.31 120.62 1n71 h LEU 95 Ca 0.21 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1n71 h LEU 95 Cb 0.00 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1n71 h LEU 95 CO -0.08 0.05 0.65 -0.33 -0.34 0.00 0.00 178.44 178.38 1n71 h GLU 96 N 0.05 1.15 -0.65 1.25 5.08 -0.67 0.50 114.58 121.30 1n71 h GLU 96 Ca 0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1n71 h GLU 96 Cb 0.00 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1n71 h GLU 96 CO -0.00 0.76 0.24 0.87 -1.00 0.00 0.00 179.01 179.88 1n71 h LYS 97 N 1.19 0.99 -0.45 2.33 1.57 -1.19 -0.96 116.57 120.06 1n71 h LYS 97 Ca 0.43 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1n71 h LYS 97 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1n71 h LYS 97 CO -0.17 0.84 -0.25 1.49 -0.57 0.00 0.00 179.45 180.79 1n71 h GLU 98 N 0.93 0.95 -0.12 3.15 4.81 -0.66 -1.55 114.58 122.09 1n71 h GLU 98 Ca 0.21 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1n71 h GLU 98 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1n71 h GLU 98 CO -0.01 1.10 0.06 0.28 -0.73 0.00 0.00 179.01 179.71 1n71 h VAL 99 N 0.79 1.09 -0.79 0.32 2.07 -0.80 -2.37 116.25 116.57 1n71 h VAL 99 Ca 0.10 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1n71 h VAL 99 Cb 0.83 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1n71 h VAL 99 CO 0.07 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.26 1n71 h ALA 100 N 0.96 1.58 0.00 1.67 0.00 -1.08 0.28 119.26 122.67 1n71 h ALA 100 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n71 h ALA 100 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1n71 h ALA 100 CO -0.01 0.32 -0.10 0.66 0.00 0.00 0.00 179.25 180.13 1n71 h SER 101 N 0.91 0.00 -0.57 0.00 4.64 -0.85 -1.81 113.55 115.87 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1n71 h SER 101 CO -0.10 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 1n71 n ARG 102 N -3.33 2.76 -0.25 4.77 1.74 -0.08 -4.91 116.66 117.36 1n71 n ARG 102 Ca -0.01 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 1n71 n ARG 102 Cb 0.29 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.24 0.79 3.77 -0.13 0.00 -0.68 -4.92 105.19 105.26 1n71 n GLY 103 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.73 2.97 -0.07 -0.02 0.00 -0.22 -4.22 107.32 104.03 1n71 s GLY 104 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1n71 s GLY 104 CO 0.00 1.70 -0.07 1.39 0.00 0.00 0.00 173.10 176.12 1n71 n ILE 105 N 0.61 0.41 -4.60 0.90 5.41 0.07 -4.34 119.36 117.83 1n71 n ILE 105 Ca 0.01 -0.15 -0.22 0.00 1.00 0.00 0.00 62.75 63.39 1n71 n ILE 105 Cb 0.44 -0.82 -0.15 0.00 -0.71 0.00 0.00 39.64 38.39 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 -2.14 1.05 -0.10 1.39 2.01 -0.70 -0.92 115.64 116.24 1n71 s THR 106 Ca -0.10 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1n71 s THR 106 Cb 0.03 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.64 1n71 s THR 106 CO 0.16 0.30 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 1n71 s ILE 107 N -0.14 2.23 0.26 1.82 1.01 -0.28 -0.77 121.20 125.33 1n71 s ILE 107 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1n71 s ILE 107 Cb -0.07 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1n71 s ILE 107 CO 0.00 0.56 0.05 -0.72 0.00 0.00 0.00 174.94 174.83 1n71 s TYR 108 N 0.22 1.61 0.20 3.97 1.13 -0.00 -1.07 117.35 123.41 1n71 s TYR 108 Ca -0.14 -1.04 -0.22 0.00 -1.41 0.00 0.00 57.07 54.26 1n71 s TYR 108 Cb -0.17 -0.97 0.05 0.00 -1.10 0.00 0.00 41.96 39.77 1n71 s TYR 108 CO 0.07 -0.16 0.62 -0.48 -2.51 0.00 0.00 175.55 173.09 1n71 s LEU 109 N -3.34 -0.38 -0.12 -3.49 0.05 -0.21 -0.56 118.68 110.63 1n71 s LEU 109 Ca 0.34 -0.24 0.02 0.00 0.05 0.00 0.00 54.13 54.30 1n71 s LEU 109 Cb 0.07 2.57 0.01 0.00 -2.05 0.00 0.00 46.19 46.79 1n71 s LEU 109 CO 0.12 -1.08 -0.19 -0.83 -0.55 0.00 0.00 176.35 173.82 1n71 s GLY 110 N -2.81 1.20 -0.19 -3.48 0.00 -1.26 -1.14 107.32 99.63 1n71 s GLY 110 Ca 0.05 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1n71 s GLY 110 CO -0.06 0.11 -0.16 -1.08 0.00 0.00 0.00 173.10 171.91 1n71 s THR 111 N 0.91 1.93 0.48 0.90 -1.32 0.01 -4.89 115.64 113.66 1n71 s THR 111 Ca -0.07 -1.03 -0.13 0.00 -1.21 0.00 0.00 61.69 59.26 1n71 s THR 111 Cb -0.15 -1.85 -0.07 0.00 -1.51 0.00 0.00 72.50 68.92 1n71 s THR 111 CO -0.02 0.36 0.89 -1.81 -2.21 0.00 0.00 174.62 171.84 1n71 s ASP 112 N 1.31 6.51 -0.35 8.08 1.11 -1.26 -0.86 116.67 131.20 1n71 s ASP 112 Ca 0.01 1.34 0.03 0.00 0.18 0.00 0.00 52.55 54.11 1n71 s ASP 112 Cb -0.15 -2.41 0.10 0.00 1.07 0.00 0.00 42.92 41.53 1n71 s ASP 112 CO -0.10 -0.55 0.09 -0.62 1.18 0.00 0.00 175.17 175.17 1n71 s ASP 113 N -3.32 4.45 -0.01 0.27 2.15 -0.33 -4.93 116.67 114.95 1n71 s ASP 113 Ca 0.55 -2.12 0.17 0.00 0.43 0.00 0.00 52.55 51.58 1n71 s ASP 113 Cb -0.10 -1.37 -0.22 0.00 -0.30 0.00 0.00 42.92 40.93 1n71 s ASP 113 CO 0.35 -0.37 0.55 0.18 -0.17 0.00 0.00 175.17 175.71 1n71 n LEU 114 N 4.27 0.42 -0.84 -1.34 4.77 -1.26 -3.73 117.00 119.29 1n71 n LEU 114 Ca 0.03 -0.27 0.02 0.00 -0.03 0.00 0.00 56.01 55.76 1n71 n LEU 114 Cb 0.41 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.70 1n71 n LEU 114 CO 0.20 0.10 0.59 -0.90 -1.33 0.00 0.00 177.39 176.06 1n71 n ASP 115 N -1.71 2.44 -3.76 -1.43 5.75 -1.26 -4.95 116.55 111.63 1n71 n ASP 115 Ca 0.00 -3.63 -0.23 0.00 -0.01 0.00 0.00 54.79 50.92 1n71 n ASP 115 Cb 0.34 -0.57 0.03 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.08 -1.99 0.19 2.11 -0.00 -1.26 -4.87 115.22 108.31 1n71 n HIS 116 Ca 0.26 0.85 0.11 0.00 -0.00 0.00 0.00 57.72 58.94 1n71 n HIS 116 Cb 0.88 -4.28 0.12 0.00 -0.00 0.00 0.00 29.99 26.71 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 -1.92 0.00 -2.40 1.57 0.00 -1.92 -3.42 103.07 94.97 1n71 h GLY 117 Ca -0.60 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.39 1n71 h GLY 117 CO 0.59 0.00 -0.62 -0.51 0.00 0.00 0.00 176.54 176.00 1n71 s THR 118 N -3.22 0.55 -1.46 4.70 -4.23 -1.26 -0.65 115.64 110.07 1n71 s THR 118 Ca 0.05 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.79 1n71 s THR 118 Cb 0.06 -2.55 0.41 0.00 1.34 0.00 0.00 72.50 71.77 1n71 s THR 118 CO 0.70 -0.08 1.75 0.35 -0.54 0.00 0.00 174.62 176.80 1n71 n THR 119 N -0.42 0.27 0.60 3.99 -2.24 -0.93 -2.94 114.28 112.61 1n71 n THR 119 Ca -0.01 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1n71 n THR 119 Cb 0.66 -0.69 0.39 0.00 -2.10 0.00 0.00 70.33 68.58 1n71 n THR 119 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1n71 h LEU 120 N 0.00 0.00-10.42 3.22 3.38 -1.90 -3.46 115.31 106.14 1n71 h LEU 120 Ca 0.00 -0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.53 1n71 h LEU 120 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1n71 h LEU 120 CO 0.00 0.00 -0.21 -0.94 0.09 0.00 0.00 178.44 177.38 1n71 s SER 121 N -4.62 5.67 -1.48 -0.43 1.04 -1.15 -4.50 113.70 108.23 1n71 s SER 121 Ca 0.10 -0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.27 1n71 s SER 121 Cb 0.12 -0.94 0.02 0.00 0.10 0.00 0.00 66.02 65.31 1n71 s SER 121 CO 0.60 -0.76 0.80 0.00 0.98 0.00 0.00 173.24 174.87 1n71 n GLN 122 N -1.94 -5.79 -3.56 4.02 6.02 -0.24 -4.97 117.38 110.92 1n71 n GLN 122 Ca 0.05 0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 57.75 1n71 n GLN 122 Cb 0.59 -5.75 -0.05 0.00 1.02 0.00 0.00 30.24 26.05 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 -3.21 0.03 -0.66 5.09 -1.32 -1.26 -5.09 115.64 109.22 1n71 s THR 123 Ca 0.42 -0.24 -0.27 0.00 -1.21 0.00 0.00 61.69 60.39 1n71 s THR 123 Cb -0.19 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1n71 s THR 123 CO 0.52 -0.13 1.43 -0.62 -2.21 0.00 0.00 174.62 173.61 1n71 s ASP 124 N -2.17 5.99 0.00 8.08 -1.08 -1.26 -4.62 116.67 121.60 1n71 s ASP 124 Ca -0.03 -0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.07 1n71 s ASP 124 Cb -0.00 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.63 1n71 s ASP 124 CO -0.04 -1.89 1.32 0.18 0.52 0.00 0.00 175.17 175.25 1n71 n LEU 125 N 10.07 0.00 0.00 -1.34 4.77 -1.26 -1.79 117.00 127.45 1n71 n LEU 125 Ca 0.09 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1n71 n LEU 125 Cb 0.50 -0.20 0.34 0.00 -2.33 0.00 0.00 43.42 41.72 1n71 n LEU 125 CO 0.71 -0.11 0.57 -1.22 -1.33 0.00 0.00 177.39 176.01 1n71 n TYR 126 N -1.20 0.04 -3.57 -1.77 4.01 -1.26 -3.80 117.16 109.61 1n71 n TYR 126 Ca 0.08 0.01 -0.39 0.00 -0.16 0.00 0.00 57.90 57.44 1n71 n TYR 126 Cb 0.09 -0.34 -0.11 0.00 -0.31 0.00 0.00 39.34 38.67 1n71 n TYR 126 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1n71 s GLU 127 N -3.01 3.84 -1.42 -0.72 2.56 -0.74 -4.38 118.70 114.83 1n71 s GLU 127 Ca 0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 54.97 54.64 1n71 s GLU 127 Cb 0.18 -3.70 0.03 0.00 2.00 0.00 0.00 34.13 32.64 1n71 s GLU 127 CO 0.66 -0.25 0.70 0.72 -0.56 0.00 0.00 175.26 176.53 1n71 n HIS 128 N 5.08 -1.92 -0.13 5.30 8.25 -1.26 -4.87 115.22 125.67 1n71 n HIS 128 Ca -0.14 0.83 -0.09 0.00 -0.26 0.00 0.00 57.72 58.07 1n71 n HIS 128 Cb 0.51 -4.01 -0.03 0.00 1.12 0.00 0.00 29.99 27.58 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 -1.88 0.16 0.00 1.59 2.02 -1.76 -1.64 112.91 111.38 1n71 h THR 129 Ca -0.61 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 1n71 h THR 129 Cb 1.37 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1n71 h THR 129 CO 0.62 0.00 -0.52 -0.26 0.37 0.00 0.00 175.52 175.73 1n71 h PHE 130 N -0.29 0.00 -0.43 3.16 0.04 -1.90 -2.31 116.94 115.21 1n71 h PHE 130 Ca 0.16 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 1n71 h PHE 130 Cb 0.57 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1n71 h PHE 130 CO -0.59 0.52 0.10 0.22 -0.60 0.00 0.00 178.31 177.96 1n71 h ASP 131 N 0.00 0.66 -0.58 2.17 1.82 -1.85 0.26 116.42 118.90 1n71 h ASP 131 Ca -0.01 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.33 1n71 h ASP 131 Cb 1.10 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 1n71 h ASP 131 CO 0.07 0.72 0.08 0.11 -1.61 0.00 0.00 179.24 178.61 1n71 h LYS 132 N 0.56 0.96 -0.65 0.28 1.57 -1.16 -1.89 116.57 116.25 1n71 h LYS 132 Ca 0.14 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1n71 h LYS 132 Cb 0.32 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1n71 h LYS 132 CO 0.00 0.92 0.22 0.28 -0.57 0.00 0.00 179.45 180.31 1n71 h VAL 133 N 0.86 1.25 -0.04 0.50 2.07 -1.23 -1.66 116.25 118.00 1n71 h VAL 133 Ca 0.17 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1n71 h VAL 133 Cb 0.43 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1n71 h VAL 133 CO 0.01 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 1n71 h ALA 134 N 1.09 1.92 -0.35 1.67 0.00 -0.62 -2.75 119.26 120.21 1n71 h ALA 134 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1n71 h ALA 134 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n71 h ALA 134 CO -0.01 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 1n71 n SER 135 N -4.49 4.15 -4.62 0.00 3.41 -0.74 -5.04 113.62 106.29 1n71 n SER 135 Ca -0.02 -2.85 -0.45 0.00 -0.26 0.00 0.00 58.87 55.29 1n71 n SER 135 Cb 0.12 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.10 1.64 -4.27 -1.33 3.06 -0.68 -5.00 119.36 112.69 1n71 n ILE 136 Ca 0.22 -0.41 -0.19 0.00 -2.50 0.00 0.00 62.75 59.86 1n71 n ILE 136 Cb 0.89 -1.14 -0.13 0.00 0.54 0.00 0.00 39.64 39.81 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 -1.22 0.88 -0.45 9.51 -0.21 -1.26 -4.98 119.66 121.93 1n71 s GLN 137 Ca 0.62 -0.85 -0.20 0.00 0.02 0.00 0.00 55.36 54.95 1n71 s GLN 137 Cb -0.70 -0.89 0.03 0.00 1.00 0.00 0.00 33.01 32.45 1n71 s GLN 137 CO 0.57 0.21 0.61 1.21 -2.12 0.00 0.00 175.29 175.77 1n71 s ASN 138 N -1.42 6.28 -0.03 5.90 3.84 -1.26 -2.19 114.94 126.07 1n71 s ASN 138 Ca -0.00 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.57 1n71 s ASN 138 Cb -0.09 -2.30 -0.26 0.00 -0.55 0.00 0.00 41.25 38.05 1n71 s ASN 138 CO 0.02 -0.78 0.72 -0.07 -2.79 0.00 0.00 177.10 174.20 1n71 h LEU 139 N 9.62 0.28 -4.84 3.21 3.38 -1.20 -3.41 115.31 122.35 1n71 h LEU 139 Ca -0.26 -0.47 -0.42 0.00 0.09 0.00 0.00 57.88 56.82 1n71 h LEU 139 Cb 1.10 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 41.35 1n71 h LEU 139 CO 0.89 1.41 -1.04 0.54 0.09 0.00 0.00 178.44 180.33 1n71 n ARG 140 N -3.35 1.99 -3.90 1.13 1.74 -0.57 -4.98 116.66 108.72 1n71 n ARG 140 Ca -0.19 -3.69 -0.28 0.00 -0.77 0.00 0.00 57.85 52.93 1n71 n ARG 140 Cb 1.04 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 1n71 n ARG 140 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n71 n GLU 141 N -0.28 -2.66 -2.36 5.56 1.02 -1.26 -4.90 120.64 115.76 1n71 n GLU 141 Ca 0.19 0.40 -0.38 0.00 -0.02 0.00 0.00 57.16 57.35 1n71 n GLU 141 Cb 0.78 -4.33 -0.02 0.00 -0.02 0.00 0.00 31.44 27.85 1n71 n GLU 141 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1n71 s HIS 142 N -3.84 3.12 -1.12 -0.32 2.46 -1.26 -4.93 115.29 109.40 1n71 s HIS 142 Ca 0.13 1.58 0.09 0.00 0.47 0.00 0.00 55.06 57.33 1n71 s HIS 142 Cb -0.05 -3.32 0.40 0.00 -0.13 0.00 0.00 32.58 29.48 1n71 s HIS 142 CO 0.89 -1.14 1.25 -0.35 -2.47 0.00 0.00 174.74 172.92 1n71 n PRO 143 N 0.03 0.04 -0.00 2.88 -0.04 -1.26 -2.98 135.00 133.66 1n71 n PRO 143 Ca 0.05 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 1n71 n PRO 143 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.47 -0.07 0.54 -0.00 -1.95 -0.35 116.97 115.61 1n71 h TYR 144 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.66 1n71 h TYR 144 Cb 0.13 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.70 1n71 h TYR 144 CO 0.00 0.28 -0.33 1.49 -0.00 0.00 0.00 178.16 179.59 1n71 h GLU 145 N 0.49 0.13 -0.11 0.10 4.81 -1.94 -1.21 114.58 116.85 1n71 h GLU 145 Ca 0.17 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1n71 h GLU 145 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1n71 h GLU 145 CO -0.04 0.45 0.07 0.35 -0.73 0.00 0.00 179.01 179.11 1n71 h PHE 146 N 0.12 0.15 -0.77 0.92 3.57 -1.27 -1.68 116.94 117.98 1n71 h PHE 146 Ca 0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1n71 h PHE 146 Cb 0.65 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1n71 h PHE 146 CO 0.01 0.16 0.28 1.88 -2.23 0.00 0.00 178.31 178.41 1n71 h TYR 147 N 0.10 1.19 -0.96 0.41 0.05 -1.18 -2.65 116.97 113.94 1n71 h TYR 147 Ca 0.04 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.74 1n71 h TYR 147 Cb 0.05 -0.35 -0.05 0.00 1.01 0.00 0.00 36.73 37.39 1n71 h TYR 147 CO -0.05 0.91 0.63 0.93 -1.05 0.00 0.00 178.16 179.54 1n71 h GLU 148 N 1.13 1.24 0.00 4.88 5.08 -0.95 0.55 114.58 126.51 1n71 h GLU 148 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1n71 h GLU 148 Cb 0.25 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1n71 h GLU 148 CO -0.02 0.82 0.00 1.63 -1.00 0.00 0.00 179.01 180.45 1n71 n LYS 149 N -4.43 0.15 -0.24 2.33 5.02 -0.66 -1.22 118.16 119.11 1n71 n LYS 149 Ca 0.11 0.45 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1n71 n LYS 149 Cb 0.03 -1.82 0.25 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.10 3.58 0.00 -0.35 4.77 0.08 -4.94 117.00 118.03 1n71 n LEU 150 Ca 0.01 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1n71 n LEU 150 Cb 0.17 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1n71 n LEU 150 CO 0.16 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1n71 n GLY 151 N 1.55 0.72 3.83 -0.72 0.00 -0.36 -5.07 105.19 105.14 1n71 n GLY 151 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.13 3.55 0.03 1.61 1.51 -0.56 -4.73 117.35 116.63 1n71 s TYR 152 Ca 0.00 1.32 0.08 0.00 -1.01 0.00 0.00 57.07 57.46 1n71 s TYR 152 Cb 0.00 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 1n71 s TYR 152 CO 0.00 0.25 -0.23 0.21 -1.11 0.00 0.00 175.55 174.66 1n71 s LYS 153 N -2.35 1.68 -0.14 -0.62 2.20 -0.44 -3.94 119.74 116.13 1n71 s LYS 153 Ca 0.47 -0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 1n71 s LYS 153 Cb -0.14 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1n71 s LYS 153 CO 0.20 0.46 1.45 0.42 -0.36 0.00 0.00 175.35 177.52 1n71 s ILE 154 N -0.72 3.95 -0.43 5.43 1.01 -1.26 -0.88 121.20 128.30 1n71 s ILE 154 Ca 0.09 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.92 1n71 s ILE 154 Cb -0.09 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1n71 s ILE 154 CO 0.01 -0.15 0.88 1.33 0.00 0.00 0.00 174.94 177.02 1n71 n VAL 155 N 5.58 0.54 0.00 2.92 0.24 0.14 -4.95 118.33 122.80 1n71 n VAL 155 Ca 0.16 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1n71 n VAL 155 Cb 0.44 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 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 0.05 0.76 3.04 7.63 0.00 -1.09 -4.99 105.19 110.59 1n71 n GLY 156 Ca 0.04 -0.80 -0.10 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 0.09 -0.37 1.61 -7.23 -1.26 -0.57 120.40 110.66 1n71 s VAL 157 Ca 0.00 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1n71 s VAL 157 Cb 0.00 -0.34 0.11 0.00 0.56 0.00 0.00 36.38 36.71 1n71 s VAL 157 CO 0.00 -0.40 0.12 -0.22 -0.31 0.00 0.00 175.10 174.29 1n71 s LEU 158 N -1.30 4.93 0.32 1.32 2.96 -0.00 -4.96 118.68 121.95 1n71 s LEU 158 Ca -0.14 -2.15 -0.30 0.00 -0.22 0.00 0.00 54.13 51.32 1n71 s LEU 158 Cb -0.08 -1.70 -0.11 0.00 0.50 0.00 0.00 46.19 44.79 1n71 s LEU 158 CO 0.00 -0.43 1.58 -2.65 -1.32 0.00 0.00 176.35 173.54 1n71 n PRO 159 N 4.32 2.74 -1.72 0.98 -0.02 -1.26 -2.38 135.00 137.66 1n71 n PRO 159 Ca 0.02 0.97 -0.18 0.00 -2.02 0.00 0.00 63.50 62.29 1n71 n PRO 159 Cb 0.41 -2.75 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 1n71 n PRO 159 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n71 n ASN 160 N 1.76 -4.92 -0.22 2.55 3.02 -1.26 -4.88 115.26 111.31 1n71 n ASN 160 Ca 0.07 0.37 0.02 0.00 -0.03 0.00 0.00 54.58 55.00 1n71 n ASN 160 Cb 0.37 -4.34 0.13 0.00 -0.61 0.00 0.00 39.78 35.33 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 0.42 0.83 -0.49 5.41 0.00 -1.49 -2.35 119.26 121.59 1n71 h ALA 161 Ca -0.39 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1n71 h ALA 161 Cb 1.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n71 h ALA 161 CO 0.54 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.63 1n71 n ASN 162 N -5.06 4.71 0.00 0.00 3.02 -0.03 -5.03 115.26 112.88 1n71 n ASN 162 Ca 0.10 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 1n71 n ASN 162 Cb 0.34 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.45 2.80 3.67 7.41 0.00 -0.88 -4.88 105.19 113.76 1n71 n GLY 163 Ca 0.24 -1.99 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.37 2.25 -2.38 1.61 7.02 -1.26 -2.20 117.44 121.11 1n71 n TRP 164 Ca 0.00 0.27 -0.19 0.00 -1.02 0.00 0.00 57.50 56.56 1n71 n TRP 164 Cb 0.00 -2.54 -0.01 0.00 -2.42 0.00 0.00 31.31 26.34 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 3.52 -5.56 -3.56 -0.99 8.00 -1.26 -4.88 116.55 111.82 1n71 n ASP 165 Ca 0.17 0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.44 1n71 n ASP 165 Cb 0.28 -4.65 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 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 -2.96 1.00 -1.79 -1.24 5.02 -0.93 -1.08 118.16 116.18 1n71 n LYS 166 Ca -0.23 -3.77 -0.29 0.00 -2.02 0.00 0.00 58.31 52.00 1n71 n LYS 166 Cb 0.67 -1.89 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.80 1.98 -0.05 1.97 0.04 -1.24 -0.85 135.00 136.05 1n71 s PRO 167 Ca 0.31 0.26 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1n71 s PRO 167 Cb 0.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1n71 s PRO 167 CO -0.17 -1.62 -0.08 0.34 0.04 0.00 0.00 177.00 175.51 1n71 s ASP 168 N -4.36 4.52 -0.22 6.66 2.15 -1.00 -1.19 116.67 123.23 1n71 s ASP 168 Ca 0.62 -0.09 -0.03 0.00 0.43 0.00 0.00 52.55 53.48 1n71 s ASP 168 Cb -0.12 -1.08 -0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1n71 s ASP 168 CO 0.51 0.34 -0.06 -0.63 -0.17 0.00 0.00 175.17 175.16 1n71 s ILE 169 N -0.84 3.17 -0.13 4.11 1.01 -0.04 -0.82 121.20 127.66 1n71 s ILE 169 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1n71 s ILE 169 Cb -0.11 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1n71 s ILE 169 CO 0.03 0.41 0.52 0.26 0.00 0.00 0.00 174.94 176.16 1n71 s TRP 170 N 1.44 3.49 0.07 3.97 0.51 0.27 -0.81 118.94 127.88 1n71 s TRP 170 Ca 0.05 0.92 0.07 0.00 -2.12 0.00 0.00 56.10 55.02 1n71 s TRP 170 Cb -0.14 -2.62 -0.03 0.00 -0.81 0.00 0.00 33.47 29.87 1n71 s TRP 170 CO -0.05 0.10 -0.18 -1.64 -0.51 0.00 0.00 176.95 174.68 1n71 s MET 171 N 0.86 1.03 0.09 4.98 -1.94 -0.29 -0.68 119.30 123.34 1n71 s MET 171 Ca 0.27 -1.00 -0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1n71 s MET 171 Cb -0.16 -1.15 -0.00 0.00 2.01 0.00 0.00 34.83 35.53 1n71 s MET 171 CO 0.11 0.27 0.18 0.00 -0.01 0.00 0.00 175.02 175.57 1n71 s ALA 172 N -1.10 -0.17 -0.15 3.03 0.00 -0.06 -1.04 121.76 122.28 1n71 s ALA 172 Ca 0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1n71 s ALA 172 Cb -0.09 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.55 1n71 s ALA 172 CO 0.03 -0.50 0.39 0.21 0.00 0.00 0.00 175.76 175.88 1n71 s LYS 173 N -3.87 0.41 -0.23 0.00 2.20 -0.24 -1.33 119.74 116.69 1n71 s LYS 173 Ca 0.05 0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 56.16 1n71 s LYS 173 Cb 0.05 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1n71 s LYS 173 CO -0.11 -0.10 0.35 0.99 -0.36 0.00 0.00 175.35 176.11 1n71 s THR 174 N 0.76 5.22 -2.33 3.43 2.01 -1.26 -1.13 115.64 122.34 1n71 s THR 174 Ca -0.04 0.57 0.22 0.00 0.31 0.00 0.00 61.69 62.74 1n71 s THR 174 Cb -0.06 -3.68 0.46 0.00 0.01 0.00 0.00 72.50 69.24 1n71 s THR 174 CO -0.05 0.24 1.56 2.30 -0.69 0.00 0.00 174.62 177.98 1n71 n ILE 175 N 4.55 0.19 -4.11 1.82 -5.35 -0.10 -4.90 119.36 111.46 1n71 n ILE 175 Ca -0.10 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 61.92 1n71 n ILE 175 Cb 0.51 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 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 -1.81 0.50 0.55 7.28 -4.36 -1.26 -5.02 121.20 117.07 1n71 s ILE 176 Ca 0.33 -1.62 -0.22 0.00 -0.26 0.00 0.00 60.65 58.89 1n71 s ILE 176 Cb 0.18 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1n71 s ILE 176 CO 0.28 -0.76 1.38 -2.84 0.24 0.00 0.00 174.94 173.24 1n71 s PRO 177 N -3.12 3.13 0.23 0.37 0.02 -1.26 -4.96 135.00 129.41 1n71 s PRO 177 Ca 0.03 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1n71 s PRO 177 Cb 0.01 -2.27 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 1n71 s PRO 177 CO -0.04 -1.21 1.23 0.50 -0.33 0.00 0.00 177.00 177.14 1n71 s ARG 178 N -2.90 4.47 0.00 5.54 3.52 -1.26 -5.22 118.95 123.10 1n71 s ARG 178 Ca 0.72 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1n71 s ARG 178 Cb -0.41 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1n71 s ARG 178 CO 0.49 -0.09 0.21 -2.30 -0.81 0.00 0.00 175.30 172.80