#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f51 n SER 13 N 0.00 -0.24 0.00 9.51 3.41 -1.26 -5.02 113.62 120.02 1f51 n SER 13 Ca 0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1f51 n SER 13 Cb 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1f51 n SER 13 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1f51 n ASP 14 N -2.14 0.00 0.24 4.04 2.03 -1.26 -4.75 116.55 114.71 1f51 n ASP 14 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1f51 n ASP 14 Cb 0.11 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.13 1f51 n ASP 14 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1f51 h THR 15 N 0.00 0.00 0.04 5.18 2.02 -1.98 -0.67 112.91 117.50 1f51 h THR 15 Ca 0.00 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 1f51 h THR 15 Cb 0.00 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1f51 h THR 15 CO 0.00 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.63 1f51 h ALA 16 N 2.07 -0.02 -0.71 6.16 0.00 -1.98 -2.14 119.26 122.63 1f51 h ALA 16 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1f51 h ALA 16 Cb 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1f51 h ALA 16 CO 0.00 0.11 0.46 1.25 0.00 0.00 0.00 179.25 181.07 1f51 h LEU 17 N -0.77 0.78 -0.80 0.00 5.85 -1.87 0.10 115.31 118.60 1f51 h LEU 17 Ca -0.04 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1f51 h LEU 17 Cb 1.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1f51 h LEU 17 CO 0.05 0.55 0.41 0.74 -0.34 0.00 0.00 178.44 179.85 1f51 h THR 18 N 0.92 1.24 0.00 1.05 2.02 -1.20 -0.65 112.91 116.29 1f51 h THR 18 Ca 0.27 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1f51 h THR 18 Cb -0.05 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1f51 h THR 18 CO -0.08 0.28 -0.23 0.78 0.37 0.00 0.00 175.52 176.64 1f51 h ASN 19 N 1.11 0.00 -0.02 4.18 2.35 -0.51 -2.23 115.58 120.46 1f51 h ASN 19 Ca 0.28 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 1f51 h ASN 19 Cb 0.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1f51 h ASN 19 CO -0.04 0.23 -0.49 -0.08 -1.65 0.00 0.00 177.43 175.40 1f51 h GLU 20 N 0.00 0.37 -0.57 0.81 4.57 0.56 -2.51 114.58 117.81 1f51 h GLU 20 Ca -0.00 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.75 1f51 h GLU 20 Cb 0.52 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1f51 h GLU 20 CO 0.03 1.04 0.11 -0.07 -1.18 0.00 0.00 179.01 178.94 1f51 h LEU 21 N -0.16 0.89 -1.11 1.64 3.38 -1.10 -1.18 115.31 117.67 1f51 h LEU 21 Ca -0.05 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1f51 h LEU 21 Cb 1.19 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1f51 h LEU 21 CO 0.10 0.91 0.61 0.40 0.09 0.00 0.00 178.44 180.54 1f51 h ILE 22 N 0.83 1.02 -0.30 1.22 2.04 -1.46 -0.45 117.51 120.41 1f51 h ILE 22 Ca 0.18 -0.35 -0.17 0.00 1.00 0.00 0.00 64.86 65.52 1f51 h ILE 22 Cb 0.38 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1f51 h ILE 22 CO 0.01 0.19 -0.47 -0.74 0.00 0.00 0.00 178.15 177.13 1f51 h HIS 23 N 1.01 0.99 -0.08 1.37 2.76 -0.93 -2.80 115.15 117.46 1f51 h HIS 23 Ca 0.42 -0.32 -0.19 0.00 -2.20 0.00 0.00 60.37 58.08 1f51 h HIS 23 Cb 0.30 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1f51 h HIS 23 CO -0.00 1.12 -0.74 -0.07 -1.30 0.00 0.00 177.93 176.94 1f51 h LEU 24 N 0.64 0.53 -1.97 0.26 3.38 -0.60 -2.64 115.31 114.92 1f51 h LEU 24 Ca 0.03 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1f51 h LEU 24 Cb 1.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1f51 h LEU 24 CO 0.10 1.10 -0.00 -0.07 0.09 0.00 0.00 178.44 179.66 1f51 h LEU 25 N 0.30 0.00 -0.11 1.67 3.38 -1.11 -1.24 115.31 118.21 1f51 h LEU 25 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 1f51 h LEU 25 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1f51 h LEU 25 CO 0.13 0.00 -0.99 1.23 0.09 0.00 0.00 178.44 178.90 1f51 h GLY 26 N 1.37 0.13 0.47 0.83 0.00 -1.19 -1.91 103.07 102.76 1f51 h GLY 26 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1f51 h GLY 26 CO 0.00 0.25 -0.01 0.45 0.00 0.00 0.00 176.54 177.23 1f51 h HIS 27 N 0.05 -0.04 -0.87 5.60 3.86 -1.14 -2.61 115.15 120.00 1f51 h HIS 27 Ca -0.05 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.33 1f51 h HIS 27 Cb 1.69 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 30.07 1f51 h HIS 27 CO 0.02 0.48 0.44 1.03 0.86 0.00 0.00 177.93 180.76 1f51 h SER 28 N -0.58 0.50 -0.33 2.45 0.87 -1.40 -0.44 113.55 114.62 1f51 h SER 28 Ca -0.00 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1f51 h SER 28 Cb 0.53 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 1f51 h SER 28 CO 0.01 0.18 0.11 -0.09 -0.53 0.00 0.00 176.83 176.51 1f51 h ARG 29 N 0.59 0.24 -0.72 2.24 2.43 -1.16 -2.25 114.38 115.75 1f51 h ARG 29 Ca 0.49 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1f51 h ARG 29 Cb 0.75 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1f51 h ARG 29 CO -0.40 0.16 0.48 1.25 -1.51 0.00 0.00 179.97 179.95 1f51 h HIS 30 N 0.25 0.90 -0.93 2.20 2.76 -0.73 -1.09 115.15 118.52 1f51 h HIS 30 Ca 0.15 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.45 1f51 h HIS 30 Cb 0.13 -0.30 -0.08 0.00 1.55 0.00 0.00 27.41 28.70 1f51 h HIS 30 CO -0.14 0.56 0.56 -0.44 -1.30 0.00 0.00 177.93 177.17 1f51 h ASP 31 N 0.97 0.82 0.06 3.26 3.45 -0.81 0.87 116.42 125.04 1f51 h ASP 31 Ca 0.27 0.05 -0.18 0.00 0.43 0.00 0.00 57.03 57.60 1f51 h ASP 31 Cb -0.09 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1f51 h ASP 31 CO -0.07 0.45 -0.64 -0.50 -1.57 0.00 0.00 179.24 176.91 1f51 h TRP 32 N 0.91 0.72 -0.67 4.55 4.06 -0.96 -2.38 115.95 122.19 1f51 h TRP 32 Ca 0.45 -0.28 -0.08 0.00 2.06 0.00 0.00 58.89 61.04 1f51 h TRP 32 Cb 0.43 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 1f51 h TRP 32 CO -0.03 1.04 0.12 0.52 -3.56 0.00 0.00 178.44 176.53 1f51 h MET 33 N 0.41 1.09 -0.90 0.49 2.86 -0.21 0.23 114.93 118.90 1f51 h MET 33 Ca -0.01 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1f51 h MET 33 Cb 1.20 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 1f51 h MET 33 CO 0.12 0.99 0.60 -0.91 1.06 0.00 0.00 176.91 178.77 1f51 h ASN 34 N 1.03 1.04 -0.55 1.22 2.35 -0.71 0.22 115.58 120.18 1f51 h ASN 34 Ca 0.21 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 1f51 h ASN 34 Cb 0.42 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1f51 h ASN 34 CO 0.01 0.75 -0.05 0.11 -1.65 0.00 0.00 177.43 176.61 1f51 h LYS 35 N 1.23 1.02 0.00 0.81 1.57 -0.84 -0.31 116.57 120.05 1f51 h LYS 35 Ca 0.33 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1f51 h LYS 35 Cb -0.14 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1f51 h LYS 35 CO -0.07 1.03 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.71 1f51 h LEU 36 N 0.92 0.00 -0.24 2.94 3.38 0.09 0.63 115.31 123.04 1f51 h LEU 36 Ca 0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 1f51 h LEU 36 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1f51 h LEU 36 CO 0.04 0.05 -0.83 -0.61 0.09 0.00 0.00 178.44 177.18 1f51 h GLN 37 N 0.00 0.53 -0.01 1.13 5.75 0.66 -0.61 115.11 122.57 1f51 h GLN 37 Ca -0.00 -0.48 -0.19 0.00 -0.15 0.00 0.00 58.65 57.83 1f51 h GLN 37 Cb 0.45 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1f51 h GLN 37 CO 0.01 1.11 -0.84 -0.07 -2.65 0.00 0.00 178.83 176.39 1f51 h LEU 38 N 0.34 0.24 0.14 -2.39 3.38 -0.36 -1.46 115.31 115.21 1f51 h LEU 38 Ca -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1f51 h LEU 38 Cb 1.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1f51 h LEU 38 CO 0.15 0.97 -0.07 0.40 0.09 0.00 0.00 178.44 179.98 1f51 h ILE 39 N 0.11 0.99 0.00 1.22 2.04 -0.80 -2.94 117.51 118.12 1f51 h ILE 39 Ca -0.04 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1f51 h ILE 39 Cb 1.45 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1f51 h ILE 39 CO 0.13 0.23 -0.40 0.07 0.00 0.00 0.00 178.15 178.18 1f51 h LYS 40 N -0.74 0.00 0.14 2.37 2.10 -1.21 -0.25 116.57 118.98 1f51 h LYS 40 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1f51 h LYS 40 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1f51 h LYS 40 CO 0.03 0.40 -0.07 0.78 -2.00 0.00 0.00 179.45 178.59 1f51 h GLY 41 N 2.17 -0.20 1.78 0.07 0.00 -1.30 -1.06 103.07 104.53 1f51 h GLY 41 Ca -0.00 0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 1f51 h GLY 41 CO 0.05 -0.07 -0.69 3.43 0.00 0.00 0.00 176.54 179.26 1f51 h ASN 42 N -0.25 0.26 -0.37 0.19 2.35 -1.50 -2.56 115.58 113.70 1f51 h ASN 42 Ca -0.02 -0.17 0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1f51 h ASN 42 Cb 0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1f51 h ASN 42 CO 0.03 0.87 0.29 0.25 -1.65 0.00 0.00 177.43 177.22 1f51 h LEU 43 N 0.15 0.00 0.08 1.61 7.12 -0.70 -1.68 115.31 121.90 1f51 h LEU 43 Ca -0.02 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.79 1f51 h LEU 43 Cb 1.24 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1f51 h LEU 43 CO 0.11 0.00 -1.02 0.28 -0.13 0.00 0.00 178.44 177.68 1f51 h SER 44 N 0.00 0.26 0.00 1.25 0.02 -0.81 -3.27 113.55 110.99 1f51 h SER 44 Ca 0.18 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1f51 h SER 44 Cb 0.75 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1f51 h SER 44 CO -0.00 1.44 0.00 0.18 -1.14 0.00 0.00 176.83 177.31 1f51 n LEU 45 N -4.17 0.46 -4.20 5.07 4.77 -0.71 -4.82 117.00 113.40 1f51 n LEU 45 Ca -0.21 -0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 1f51 n LEU 45 Cb 0.77 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1f51 n LEU 45 CO 0.37 0.12 -0.10 0.00 -1.33 0.00 0.00 177.39 176.45 1f51 n GLN 46 N -0.00 -2.93 -3.34 3.23 6.02 -0.72 -4.89 117.38 114.74 1f51 n GLN 46 Ca 0.00 0.35 -0.39 0.00 -0.01 0.00 0.00 57.00 56.95 1f51 n GLN 46 Cb 0.12 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 26.46 1f51 n GLN 46 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1f51 n LYS 47 N -4.38 3.43 0.26 -1.09 5.02 -0.96 -4.87 118.16 115.57 1f51 n LYS 47 Ca -0.02 -4.52 0.15 0.00 -2.02 0.00 0.00 58.31 51.90 1f51 n LYS 47 Cb 0.54 -2.46 0.68 0.00 -0.02 0.00 0.00 35.03 33.77 1f51 n LYS 47 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1f51 h TYR 48 N 5.77 0.00 0.00 2.13 -1.99 -1.90 -2.85 116.97 118.13 1f51 h TYR 48 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1f51 h TYR 48 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 1f51 h TYR 48 CO 0.82 0.09 0.00 -0.44 -0.00 0.00 0.00 178.16 178.63 1f51 h ASP 49 N 0.00 0.00 0.01 3.88 5.19 -1.98 -2.77 116.42 120.75 1f51 h ASP 49 Ca -0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1f51 h ASP 49 Cb 0.50 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1f51 h ASP 49 CO 0.01 0.00 -0.31 0.03 -3.12 0.00 0.00 179.24 175.85 1f51 h ARG 50 N 0.00 0.02 -0.60 3.56 2.47 -1.93 -2.22 114.38 115.68 1f51 h ARG 50 Ca 0.00 -0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.81 1f51 h ARG 50 Cb 0.88 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 29.10 1f51 h ARG 50 CO 0.00 1.02 -0.15 0.28 0.56 0.00 0.00 179.97 181.67 1f51 h VAL 51 N -0.95 0.39 -0.36 2.04 2.07 -1.57 1.07 116.25 118.94 1f51 h VAL 51 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1f51 h VAL 51 Cb 1.11 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1f51 h VAL 51 CO -0.03 0.00 0.24 -0.26 0.02 0.00 0.00 177.57 177.54 1f51 h PHE 52 N -0.00 0.46 -0.07 1.57 -1.00 -1.59 -0.92 116.94 115.38 1f51 h PHE 52 Ca 0.29 0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.12 1f51 h PHE 52 Cb 0.44 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 1f51 h PHE 52 CO -0.50 0.29 -0.37 0.93 -1.61 0.00 0.00 178.31 177.05 1f51 h GLU 53 N 0.49 -0.47 0.37 1.51 5.08 0.12 -2.61 114.58 119.07 1f51 h GLU 53 Ca 0.13 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1f51 h GLU 53 Cb -0.05 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1f51 h GLU 53 CO -0.03 -0.31 -0.48 0.52 -1.00 0.00 0.00 179.01 177.71 1f51 h MET 54 N -0.49 -0.85 -0.97 2.33 2.86 0.10 -2.39 114.93 115.53 1f51 h MET 54 Ca 0.07 0.06 0.33 0.00 -2.06 0.00 0.00 59.70 58.10 1f51 h MET 54 Cb 0.60 0.19 -0.18 0.00 0.06 0.00 0.00 31.60 32.28 1f51 h MET 54 CO -0.34 -0.56 0.26 -0.89 1.06 0.00 0.00 176.91 176.44 1f51 n ILE 55 N -5.30 -0.41 -0.16 -1.22 5.41 -0.37 0.12 119.36 117.43 1f51 n ILE 55 Ca -0.10 2.05 -0.11 0.00 1.00 0.00 0.00 62.75 65.59 1f51 n ILE 55 Cb 0.42 -3.15 -0.00 0.00 -0.71 0.00 0.00 39.64 36.20 1f51 n ILE 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1f51 h GLU 56 N 0.00 0.90 -0.82 0.38 4.57 -1.06 -0.81 114.58 117.74 1f51 h GLU 56 Ca 0.70 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.58 1f51 h GLU 56 Cb 1.68 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 30.17 1f51 h GLU 56 CO -0.83 0.98 0.54 0.93 -1.18 0.00 0.00 179.01 179.45 1f51 h GLU 57 N 0.75 0.97 -0.46 1.92 5.08 0.13 -0.75 114.58 122.22 1f51 h GLU 57 Ca 0.12 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1f51 h GLU 57 Cb 0.64 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1f51 h GLU 57 CO 0.04 0.64 0.24 0.52 -1.00 0.00 0.00 179.01 179.45 1f51 h MET 58 N 1.00 0.65 0.00 2.33 2.86 -0.02 -2.01 114.93 119.74 1f51 h MET 58 Ca 0.33 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1f51 h MET 58 Cb 0.05 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1f51 h MET 58 CO -0.10 0.53 0.00 0.28 1.06 0.00 0.00 176.91 178.68 1f51 h VAL 59 N 0.60 0.00 0.01 -2.22 2.07 0.24 -1.43 116.25 115.52 1f51 h VAL 59 Ca 0.16 -0.27 -0.31 0.00 0.82 0.00 0.00 66.70 67.11 1f51 h VAL 59 Cb 0.08 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1f51 h VAL 59 CO -0.02 0.00 -1.83 -0.38 0.02 0.00 0.00 177.57 175.36 1f51 n ILE 60 N -2.50 1.59 -0.05 4.57 5.41 -0.64 -1.97 119.36 125.77 1f51 n ILE 60 Ca 0.01 -0.79 -0.13 0.00 1.00 0.00 0.00 62.75 62.84 1f51 n ILE 60 Cb 0.22 -1.01 -0.07 0.00 -0.71 0.00 0.00 39.64 38.07 1f51 n ILE 60 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1f51 h ASP 61 N 0.00 0.31 -0.06 4.38 3.32 -1.08 -1.80 116.42 121.50 1f51 h ASP 61 Ca -0.33 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 1f51 h ASP 61 Cb 2.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.50 1f51 h ASP 61 CO 0.07 0.72 -0.02 0.00 -1.72 0.00 0.00 179.24 178.29 1f51 h ALA 62 N 0.60 1.70 0.00 3.45 0.00 -1.39 -0.41 119.26 123.22 1f51 h ALA 62 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1f51 h ALA 62 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1f51 h ALA 62 CO 0.03 0.23 -0.40 -0.22 0.00 0.00 0.00 179.25 178.88 1f51 h LYS 63 N 0.21 0.00 0.11 0.00 3.64 -0.97 -2.19 116.57 117.37 1f51 h LYS 63 Ca 0.05 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1f51 h LYS 63 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1f51 h LYS 63 CO 0.00 0.40 -1.07 0.45 -2.27 0.00 0.00 179.45 176.97 1f51 h HIS 64 N 0.00 0.42 -0.57 1.91 3.86 -0.35 -3.02 115.15 117.40 1f51 h HIS 64 Ca -0.00 -0.30 0.11 0.00 -1.16 0.00 0.00 60.37 59.01 1f51 h HIS 64 Cb 0.71 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 29.05 1f51 h HIS 64 CO 0.00 1.41 -0.29 1.49 0.86 0.00 0.00 177.93 181.41 1f51 h GLU 65 N -0.43 -0.13 0.01 2.45 4.81 -1.11 0.13 114.58 120.31 1f51 h GLU 65 Ca -0.22 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1f51 h GLU 65 Cb 1.63 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1f51 h GLU 65 CO 0.07 -0.09 -0.13 1.03 -0.73 0.00 0.00 179.01 179.17 1f51 h SER 66 N -0.13 -0.40 -0.92 1.04 0.87 -1.48 -1.03 113.55 111.49 1f51 h SER 66 Ca 0.24 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 60.98 1f51 h SER 66 Cb 0.53 0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 62.50 1f51 h SER 66 CO -0.65 -0.13 -0.38 0.29 -0.53 0.00 0.00 176.83 175.43 1f51 n LYS 67 N -3.21 -0.24 -0.18 2.24 5.02 -0.66 0.13 118.16 121.26 1f51 n LYS 67 Ca -0.02 1.42 0.11 0.00 -2.02 0.00 0.00 58.31 57.80 1f51 n LYS 67 Cb 0.10 -2.10 0.43 0.00 -0.02 0.00 0.00 35.03 33.44 1f51 n LYS 67 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1f51 h LEU 68 N 0.00 0.52 0.00 -0.35 5.85 -0.65 0.27 115.31 120.96 1f51 h LEU 68 Ca 0.30 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1f51 h LEU 68 Cb 0.53 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1f51 h LEU 68 CO -0.91 0.30 0.00 -1.20 -0.34 0.00 0.00 178.44 176.29 1f51 n SER 69 N -4.50 0.00 -0.58 1.25 7.64 0.34 -3.25 113.62 114.52 1f51 n SER 69 Ca 0.13 -0.68 0.06 0.00 1.01 0.00 0.00 58.87 59.39 1f51 n SER 69 Cb 0.40 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.75 1f51 n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f51 n ASN 70 N -1.01 1.68 -0.99 6.43 3.02 0.95 -4.64 115.26 120.70 1f51 n ASN 70 Ca 0.17 -3.36 0.08 0.00 -0.03 0.00 0.00 54.58 51.43 1f51 n ASN 70 Cb 0.08 -0.46 0.24 0.00 -0.61 0.00 0.00 39.78 39.04 1f51 n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1f51 n LEU 71 N -0.93 3.65 -3.34 3.41 4.77 -1.20 -4.54 117.00 118.82 1f51 n LEU 71 Ca 0.16 -2.28 -0.24 0.00 -0.03 0.00 0.00 56.01 53.61 1f51 n LEU 71 Cb 0.74 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1f51 n LEU 71 CO -0.03 0.78 0.01 0.29 -1.33 0.00 0.00 177.39 177.11 1f51 n LYS 72 N 0.62 -4.47 -3.46 3.23 5.02 -1.26 -1.48 118.16 116.36 1f51 n LYS 72 Ca 0.18 0.67 -0.26 0.00 -2.02 0.00 0.00 58.31 56.87 1f51 n LYS 72 Cb 0.64 -5.47 -0.09 0.00 -0.02 0.00 0.00 35.03 30.08 1f51 n LYS 72 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1f51 n THR 73 N -4.31 0.49 -0.21 -0.18 5.66 -1.26 -3.49 114.28 110.98 1f51 n THR 73 Ca -0.04 -4.37 -0.04 0.00 -3.05 0.00 0.00 64.05 56.55 1f51 n THR 73 Cb 0.57 -1.97 0.14 0.00 -1.55 0.00 0.00 70.33 67.52 1f51 n THR 73 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1f51 h PRO 74 N 4.75 1.01 -0.04 1.09 0.11 -1.90 -2.36 132.00 134.66 1f51 h PRO 74 Ca 0.17 -0.18 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1f51 h PRO 74 Cb 0.80 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1f51 h PRO 74 CO 0.59 0.84 -0.57 0.45 -0.21 0.00 0.00 178.00 179.11 1f51 h HIS 75 N 0.99 0.17 0.13 0.65 3.86 -1.93 -0.48 115.15 118.53 1f51 h HIS 75 Ca 0.23 -0.06 -0.23 0.00 -1.16 0.00 0.00 60.37 59.15 1f51 h HIS 75 Cb 0.22 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 28.69 1f51 h HIS 75 CO 0.02 0.67 -0.97 1.25 0.86 0.00 0.00 177.93 179.75 1f51 h LEU 76 N 0.10 0.64 -0.37 2.43 5.85 -1.81 -2.96 115.31 119.18 1f51 h LEU 76 Ca -0.00 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 57.84 1f51 h LEU 76 Cb 1.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1f51 h LEU 76 CO 0.08 1.46 0.24 0.00 -0.34 0.00 0.00 178.44 179.88 1f51 h ALA 77 N 0.19 0.47 -0.20 1.25 0.00 -1.40 -1.61 119.26 117.96 1f51 h ALA 77 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1f51 h ALA 77 Cb 1.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1f51 h ALA 77 CO 0.19 -0.08 0.03 0.35 0.00 0.00 0.00 179.25 179.74 1f51 h PHE 78 N 0.50 0.29 -0.18 0.00 3.04 -1.15 -0.58 116.94 118.85 1f51 h PHE 78 Ca 0.14 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.97 1f51 h PHE 78 Cb -0.05 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 1f51 h PHE 78 CO -0.05 0.28 -0.29 -0.44 -2.02 0.00 0.00 178.31 175.79 1f51 h ASP 79 N 0.29 0.57 -0.35 0.41 3.32 -1.26 -2.85 116.42 116.54 1f51 h ASP 79 Ca 0.07 -0.53 -0.15 0.00 0.02 0.00 0.00 57.03 56.44 1f51 h ASP 79 Cb 0.16 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1f51 h ASP 79 CO 0.00 0.99 -0.38 -0.26 -1.72 0.00 0.00 179.24 177.86 1f51 h PHE 80 N 0.17 1.07 0.00 4.55 0.05 -0.99 -0.81 116.94 120.99 1f51 h PHE 80 Ca 0.02 -0.33 0.00 0.00 3.82 0.00 0.00 57.97 61.48 1f51 h PHE 80 Cb 0.87 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.60 1f51 h PHE 80 CO 0.09 1.14 0.00 1.28 -0.18 0.00 0.00 178.31 180.64 1f51 n LEU 81 N -4.10 0.61 -0.00 1.54 4.77 -0.25 -3.32 117.00 116.25 1f51 n LEU 81 Ca -0.03 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 1f51 n LEU 81 Cb 0.54 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1f51 n LEU 81 CO 0.48 -0.56 -0.31 0.35 -1.33 0.00 0.00 177.39 176.03 1f51 n THR 82 N -2.18 0.00 -0.31 -5.08 -2.24 -1.08 -4.79 114.28 98.60 1f51 n THR 82 Ca 0.02 -0.24 0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1f51 n THR 82 Cb 0.21 0.67 0.31 0.00 -2.10 0.00 0.00 70.33 69.42 1f51 n THR 82 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1f51 h PHE 83 N 0.00 0.24 -0.00 4.78 3.57 -1.14 0.20 116.94 124.60 1f51 h PHE 83 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1f51 h PHE 83 Cb 0.15 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1f51 h PHE 83 CO 0.00 -0.31 -0.04 0.09 -2.23 0.00 0.00 178.31 175.83 1f51 n ASN 84 N -5.32 0.06 -0.63 0.41 3.02 -1.26 -3.00 115.26 108.54 1f51 n ASN 84 Ca 0.23 0.20 0.09 0.00 -0.03 0.00 0.00 54.58 55.07 1f51 n ASN 84 Cb 0.75 -0.37 0.30 0.00 -0.61 0.00 0.00 39.78 39.85 1f51 n ASN 84 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1f51 n TRP 85 N -1.41 0.31 -4.42 3.10 8.01 0.71 -4.85 117.44 118.90 1f51 n TRP 85 Ca 0.09 -0.16 -0.25 0.00 -1.31 0.00 0.00 57.50 55.88 1f51 n TRP 85 Cb 0.31 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.51 1f51 n TRP 85 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1f51 s LYS 86 N -1.69 1.78 -0.78 -0.99 1.02 -1.16 -5.04 119.74 112.89 1f51 s LYS 86 Ca 0.31 -1.63 -0.20 0.00 0.02 0.00 0.00 55.97 54.46 1f51 s LYS 86 Cb 0.16 -1.88 -0.15 0.00 -0.52 0.00 0.00 37.83 35.45 1f51 s LYS 86 CO 0.24 0.36 1.94 0.25 -0.92 0.00 0.00 175.35 177.21 1f51 n THR 87 N -0.46 1.86 -2.87 2.17 -2.24 -1.26 -4.93 114.28 106.55 1f51 n THR 87 Ca -0.07 -1.56 -0.19 0.00 -2.27 0.00 0.00 64.05 59.95 1f51 n THR 87 Cb 0.59 -2.30 0.04 0.00 -2.10 0.00 0.00 70.33 66.56 1f51 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1f51 s HIS 88 N 4.86 2.32 -0.27 4.78 3.76 -1.26 -5.04 115.29 124.44 1f51 s HIS 88 Ca 0.55 -0.37 0.12 0.00 -0.15 0.00 0.00 55.06 55.21 1f51 s HIS 88 Cb 0.14 -2.51 0.57 0.00 1.11 0.00 0.00 32.58 31.89 1f51 s HIS 88 CO 0.10 -0.88 1.55 0.66 -0.85 0.00 0.00 174.74 175.32 1f51 n TYR 89 N -2.20 1.43 -3.46 1.40 4.02 -1.26 -4.97 117.16 112.12 1f51 n TYR 89 Ca 0.11 -1.27 -0.11 0.00 -0.01 0.00 0.00 57.90 56.62 1f51 n TYR 89 Cb 0.60 -0.49 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 1f51 n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f51 s MET 90 N -3.05 1.08 -0.05 -0.72 0.23 -1.26 -4.40 119.30 111.13 1f51 s MET 90 Ca 0.47 -0.34 0.01 0.00 -1.03 0.00 0.00 55.69 54.79 1f51 s MET 90 Cb 0.39 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 34.16 1f51 s MET 90 CO 0.07 -0.46 -0.06 0.95 -2.03 0.00 0.00 175.02 173.49 1f51 s THR 91 N -3.28 3.76 -0.10 3.16 -4.23 -0.02 -4.94 115.64 109.99 1f51 s THR 91 Ca 0.02 -0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.90 1f51 s THR 91 Cb -0.01 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 1f51 s THR 91 CO -0.10 0.55 0.23 -0.22 -0.54 0.00 0.00 174.62 174.54 1f51 s LEU 92 N -0.97 4.37 -0.06 4.79 2.96 -1.26 -1.09 118.68 127.42 1f51 s LEU 92 Ca 0.14 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1f51 s LEU 92 Cb -0.11 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.36 1f51 s LEU 92 CO 0.03 0.32 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.75 1f51 s GLU 93 N -0.68 0.68 0.12 1.98 0.41 -0.72 -4.95 118.70 115.54 1f51 s GLU 93 Ca 0.17 0.03 0.07 0.00 -0.41 0.00 0.00 54.97 54.83 1f51 s GLU 93 Cb -0.13 -0.90 -0.04 0.00 -1.78 0.00 0.00 34.13 31.28 1f51 s GLU 93 CO 0.06 -0.21 -0.18 1.52 -0.49 0.00 0.00 175.26 175.95 1f51 s TYR 94 N 1.53 1.65 0.01 1.61 -0.85 -1.26 -1.23 117.35 118.81 1f51 s TYR 94 Ca -0.02 -0.47 -0.08 0.00 -0.52 0.00 0.00 57.07 55.98 1f51 s TYR 94 Cb -0.13 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.34 1f51 s TYR 94 CO -0.03 0.21 0.15 -1.83 -1.52 0.00 0.00 175.55 172.54 1f51 s GLU 95 N -2.34 0.53 -0.27 -3.49 -1.05 -0.57 -4.86 118.70 106.65 1f51 s GLU 95 Ca 0.09 -0.43 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 1f51 s GLU 95 Cb -0.08 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1f51 s GLU 95 CO 0.04 -0.13 0.05 0.08 0.95 0.00 0.00 175.26 176.26 1f51 s VAL 96 N -1.57 3.88 -0.30 1.83 1.01 -1.26 -1.12 120.40 122.86 1f51 s VAL 96 Ca -0.13 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1f51 s VAL 96 Cb -0.06 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1f51 s VAL 96 CO 0.01 0.18 0.24 -0.76 0.00 0.00 0.00 175.10 174.77 1f51 s LEU 97 N 1.51 4.23 0.00 3.92 1.43 -0.50 -4.96 118.68 124.31 1f51 s LEU 97 Ca 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1f51 s LEU 97 Cb -0.16 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1f51 s LEU 97 CO 0.01 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1f51 n GLY 98 N 5.03 1.94 3.76 -3.19 0.00 -1.26 -0.24 105.19 111.23 1f51 n GLY 98 Ca -0.13 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 1f51 n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f51 s GLU 99 N -1.85 1.47 0.07 1.61 2.02 -1.26 -4.85 118.70 115.91 1f51 s GLU 99 Ca 0.00 0.59 -0.31 0.00 0.02 0.00 0.00 54.97 55.27 1f51 s GLU 99 Cb 0.00 -1.85 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 1f51 s GLU 99 CO 0.00 -2.03 1.24 0.42 0.02 0.00 0.00 175.26 174.91 1f51 s ILE 100 N -3.11 3.88 0.39 -1.63 1.09 -1.26 -4.76 121.20 115.81 1f51 s ILE 100 Ca 0.63 1.34 0.04 0.00 -1.10 0.00 0.00 60.65 61.56 1f51 s ILE 100 Cb -0.16 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1f51 s ILE 100 CO 0.55 0.10 0.07 -0.75 -0.10 0.00 0.00 174.94 174.81 1f51 s LYS 101 N 1.15 1.87 -0.98 2.79 2.20 -1.26 -5.08 119.74 120.43 1f51 s LYS 101 Ca 0.60 -2.11 -0.11 0.00 -0.36 0.00 0.00 55.97 53.99 1f51 s LYS 101 Cb -0.31 -0.98 0.25 0.00 -1.51 0.00 0.00 37.83 35.29 1f51 s LYS 101 CO 0.29 -0.30 0.95 0.34 -0.36 0.00 0.00 175.35 176.27 1f51 s ASP 102 N -3.62 7.04 -0.16 1.43 -1.08 -1.26 -4.31 116.67 114.71 1f51 s ASP 102 Ca 0.27 -3.20 0.07 0.00 -0.52 0.00 0.00 52.55 49.17 1f51 s ASP 102 Cb 0.06 -2.20 0.46 0.00 -1.46 0.00 0.00 42.92 39.77 1f51 s ASP 102 CO 0.13 -0.41 1.29 0.18 0.52 0.00 0.00 175.17 176.88 1f51 n LEU 103 N 3.25 4.04 -0.04 -1.34 4.77 -0.55 -4.40 117.00 122.73 1f51 n LEU 103 Ca 0.19 -2.07 0.22 0.00 -0.03 0.00 0.00 56.01 54.33 1f51 n LEU 103 Cb 0.43 -0.63 0.70 0.00 -2.33 0.00 0.00 43.42 41.59 1f51 n LEU 103 CO 0.40 0.54 1.20 0.77 -1.33 0.00 0.00 177.39 178.98 1f51 h SER 104 N 1.95 0.00 0.05 -1.43 4.64 -1.58 0.67 113.55 117.85 1f51 h SER 104 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1f51 h SER 104 Cb 1.51 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1f51 h SER 104 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1f51 n ALA 105 N -2.66 2.09 -0.11 5.18 0.00 -1.26 -2.60 120.51 121.15 1f51 n ALA 105 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1f51 n ALA 105 Cb 0.69 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1f51 n ALA 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1f51 n TYR 106 N -1.05 0.00 -0.07 0.00 4.02 0.23 -4.90 117.16 115.40 1f51 n TYR 106 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.97 1f51 n TYR 106 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1f51 n TYR 106 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1f51 h ASP 107 N 0.00 -0.58 -0.43 7.72 -0.00 -1.24 -1.00 116.42 120.90 1f51 h ASP 107 Ca 0.00 0.08 0.01 0.00 -0.00 0.00 0.00 57.03 57.12 1f51 h ASP 107 Cb 0.05 0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 1f51 h ASP 107 CO 0.00 -0.10 0.27 1.56 -0.00 0.00 0.00 179.24 180.97 1f51 h GLN 108 N -0.08 0.53 -0.26 0.28 1.08 -1.91 0.22 115.11 114.98 1f51 h GLN 108 Ca 0.03 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1f51 h GLN 108 Cb 0.16 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.39 1f51 h GLN 108 CO -0.21 0.35 -0.33 -0.22 -0.95 0.00 0.00 178.83 177.47 1f51 h LYS 109 N 0.54 -0.32 0.54 1.46 3.64 -1.82 0.35 116.57 120.96 1f51 h LYS 109 Ca 0.16 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1f51 h LYS 109 Cb -0.03 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1f51 h LYS 109 CO -0.06 -0.21 -0.28 -0.07 -2.27 0.00 0.00 179.45 176.55 1f51 h LEU 110 N -0.33 -0.69 -1.05 5.20 3.38 -0.89 0.84 115.31 121.77 1f51 h LEU 110 Ca 0.13 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.52 1f51 h LEU 110 Cb 0.54 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 1f51 h LEU 110 CO -0.44 -0.46 0.59 0.00 0.09 0.00 0.00 178.44 178.21 1f51 h ALA 111 N -1.58 2.18 -0.00 1.53 0.00 -0.22 0.26 119.26 121.42 1f51 h ALA 111 Ca -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1f51 h ALA 111 Cb 0.59 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1f51 h ALA 111 CO 0.11 -0.90 -0.10 0.87 0.00 0.00 0.00 179.25 179.22 1f51 h LYS 112 N 0.10 0.07 -0.75 0.00 1.57 -0.10 -2.61 116.57 114.86 1f51 h LYS 112 Ca 0.81 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 59.60 1f51 h LYS 112 Cb 2.13 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 34.39 1f51 h LYS 112 CO -0.68 0.83 0.41 1.25 -0.57 0.00 0.00 179.45 180.68 1f51 h LEU 113 N -0.65 0.57 -1.14 2.94 5.85 0.18 -1.16 115.31 121.91 1f51 h LEU 113 Ca -0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1f51 h LEU 113 Cb 0.86 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1f51 h LEU 113 CO 0.02 0.34 0.01 0.24 -0.34 0.00 0.00 178.44 178.71 1f51 h MET 114 N 0.70 0.61 -0.29 1.25 2.86 -0.69 -0.79 114.93 118.58 1f51 h MET 114 Ca 0.36 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1f51 h MET 114 Cb 0.31 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1f51 h MET 114 CO -0.24 0.63 0.11 0.00 1.06 0.00 0.00 176.91 178.48 1f51 h ARG 115 N 0.59 0.43 -0.32 1.72 3.08 -0.85 0.52 114.38 119.55 1f51 h ARG 115 Ca 0.12 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1f51 h ARG 115 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1f51 h ARG 115 CO 0.01 0.45 0.16 0.87 -1.07 0.00 0.00 179.97 180.39 1f51 h LYS 116 N 0.31 0.45 -0.57 0.04 1.57 -0.80 -1.65 116.57 115.93 1f51 h LYS 116 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1f51 h LYS 116 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1f51 h LYS 116 CO -0.01 0.40 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.13 1f51 h LEU 117 N 0.38 1.04 -0.89 2.94 3.38 -1.06 -2.60 115.31 118.51 1f51 h LEU 117 Ca 0.11 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1f51 h LEU 117 Cb 0.09 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 1f51 h LEU 117 CO -0.02 1.13 0.54 -0.26 0.09 0.00 0.00 178.44 179.92 1f51 h PHE 118 N 0.93 0.99 0.00 1.13 0.04 0.52 -2.31 116.94 118.25 1f51 h PHE 118 Ca 0.15 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1f51 h PHE 118 Cb 0.63 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1f51 h PHE 118 CO 0.04 0.44 -0.90 1.12 -0.60 0.00 0.00 178.31 178.42 1f51 h HIS 119 N 0.93 0.00 -0.91 -0.55 2.07 -1.23 -2.55 115.15 112.91 1f51 h HIS 119 Ca 0.42 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.99 1f51 h HIS 119 Cb 0.32 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.24 1f51 h HIS 119 CO -0.03 0.10 0.57 -0.07 -3.07 0.00 0.00 177.93 175.43 1f51 h LEU 120 N 0.00 0.92 -0.26 6.12 3.38 -1.13 -1.45 115.31 122.88 1f51 h LEU 120 Ca -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1f51 h LEU 120 Cb 1.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1f51 h LEU 120 CO 0.01 0.60 0.00 -0.26 0.09 0.00 0.00 178.44 178.88 1f51 h PHE 121 N 1.07 0.50 0.00 1.13 0.04 -1.42 -2.79 116.94 115.47 1f51 h PHE 121 Ca 0.38 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1f51 h PHE 121 Cb 0.12 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1f51 h PHE 121 CO -0.02 0.61 0.00 -0.25 -0.60 0.00 0.00 178.31 178.05 1f51 n ASP 122 N -4.62 0.90 -2.34 2.17 9.92 -0.61 -1.40 116.55 120.57 1f51 n ASP 122 Ca -0.03 -1.60 -0.01 0.00 -0.53 0.00 0.00 54.79 52.61 1f51 n ASP 122 Cb 0.24 -0.40 0.06 0.00 -0.64 0.00 0.00 41.12 40.38 1f51 n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1f51 n GLN 123 N 0.13 1.12 0.00 -1.24 10.64 -0.81 -4.83 117.38 122.39 1f51 n GLN 123 Ca 0.00 -2.14 0.00 0.00 -1.83 0.00 0.00 57.00 53.03 1f51 n GLN 123 Cb 0.21 -0.37 0.00 0.00 -0.86 0.00 0.00 30.24 29.22 1f51 n GLN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f51 n ALA 124 N -0.70 0.42 -1.78 2.61 0.00 -0.70 -4.67 120.51 115.69 1f51 n ALA 124 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1f51 n ALA 124 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 1f51 n ALA 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1f51 s VAL 125 N -1.00 3.84 0.86 0.00 -7.23 -0.49 0.22 120.40 116.59 1f51 s VAL 125 Ca 0.00 1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 61.56 1f51 s VAL 125 Cb 0.00 -3.82 0.11 0.00 0.56 0.00 0.00 36.38 33.22 1f51 s VAL 125 CO 0.00 0.10 1.09 -0.55 -0.31 0.00 0.00 175.10 175.44 1f51 s SER 126 N -1.48 3.74 -0.06 4.85 0.15 0.44 -4.19 113.70 117.15 1f51 s SER 126 Ca 0.53 1.70 0.12 0.00 0.70 0.00 0.00 55.95 59.00 1f51 s SER 126 Cb -0.22 -2.36 0.33 0.00 -1.71 0.00 0.00 66.02 62.06 1f51 s SER 126 CO 0.28 -2.50 1.27 0.54 1.20 0.00 0.00 173.24 174.03 1f51 n ARG 127 N -3.81 2.79 -0.06 5.44 1.74 -1.26 -4.37 116.66 117.13 1f51 n ARG 127 Ca 0.08 -2.26 -0.06 0.00 -0.77 0.00 0.00 57.85 54.84 1f51 n ARG 127 Cb 0.54 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 1f51 n ARG 127 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1f51 n GLU 128 N -0.08 1.93 -2.14 5.56 0.00 -1.26 -5.01 120.64 119.64 1f51 n GLU 128 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.96 1f51 n GLU 128 Cb 0.56 -1.29 0.01 0.00 0.00 0.00 0.00 31.44 30.71 1f51 n GLU 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1f51 s SER 129 N -4.52 5.77 -0.75 4.31 1.04 -1.26 -4.97 113.70 113.33 1f51 s SER 129 Ca -0.07 1.94 -0.22 0.00 0.48 0.00 0.00 55.95 58.08 1f51 s SER 129 Cb 0.04 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.69 1f51 s SER 129 CO 0.46 -1.17 1.03 -0.70 0.98 0.00 0.00 173.24 173.83 1f51 s GLU 130 N -3.75 3.26 -0.15 4.02 2.12 -1.26 -4.93 118.70 118.01 1f51 s GLU 130 Ca 0.67 -1.07 -0.22 0.00 0.36 0.00 0.00 54.97 54.71 1f51 s GLU 130 Cb -0.18 -4.46 -0.03 0.00 0.26 0.00 0.00 34.13 29.72 1f51 s GLU 130 CO 0.32 -1.83 0.64 -0.80 -0.54 0.00 0.00 175.26 173.06 1f51 s ASN 131 N 3.74 6.79 -0.02 -1.70 0.01 -1.26 -4.60 114.94 117.90 1f51 s ASN 131 Ca 0.26 0.96 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 1f51 s ASN 131 Cb -0.13 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1f51 s ASN 131 CO 0.04 -0.20 -0.15 -2.28 -1.51 0.00 0.00 177.10 173.00 1f51 s HIS 132 N 1.45 1.36 -0.06 2.20 5.65 -0.88 -0.84 115.29 124.17 1f51 s HIS 132 Ca 0.32 -0.28 0.01 0.00 0.25 0.00 0.00 55.06 55.35 1f51 s HIS 132 Cb -0.16 -0.89 0.02 0.00 -1.18 0.00 0.00 32.58 30.37 1f51 s HIS 132 CO 0.13 -0.05 -0.06 -1.17 -0.65 0.00 0.00 174.74 172.94 1f51 s LEU 133 N -0.26 1.26 -0.20 8.88 0.20 -0.25 -1.67 118.68 126.64 1f51 s LEU 133 Ca 0.04 -0.19 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 1f51 s LEU 133 Cb -0.07 -0.60 -0.01 0.00 -0.43 0.00 0.00 46.19 45.08 1f51 s LEU 133 CO -0.00 -0.07 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.06 1f51 s THR 134 N 1.15 3.51 -0.15 3.68 2.01 0.11 -1.75 115.64 124.20 1f51 s THR 134 Ca -0.07 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1f51 s THR 134 Cb -0.14 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1f51 s THR 134 CO -0.01 0.44 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.63 1f51 s VAL 135 N 1.18 3.89 -0.17 3.82 1.01 -0.37 -1.14 120.40 128.62 1f51 s VAL 135 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1f51 s VAL 135 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1f51 s VAL 135 CO -0.01 0.50 -0.19 -0.44 0.00 0.00 0.00 175.10 174.96 1f51 s SER 136 N 0.31 3.23 -0.47 3.32 0.01 -0.01 -1.51 113.70 118.59 1f51 s SER 136 Ca -0.04 -0.62 -0.14 0.00 1.31 0.00 0.00 55.95 56.47 1f51 s SER 136 Cb -0.14 -1.49 0.08 0.00 0.21 0.00 0.00 66.02 64.68 1f51 s SER 136 CO 0.03 0.02 0.37 -0.22 0.41 0.00 0.00 173.24 173.85 1f51 s LEU 137 N 1.19 5.57 -0.24 2.44 2.96 -0.27 -1.62 118.68 128.72 1f51 s LEU 137 Ca 0.02 -1.46 -0.20 0.00 -0.22 0.00 0.00 54.13 52.27 1f51 s LEU 137 Cb -0.14 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1f51 s LEU 137 CO -0.10 -0.65 0.62 -1.58 -1.32 0.00 0.00 176.35 173.33 1f51 s GLN 138 N 1.56 4.14 0.00 1.98 0.74 -0.89 -1.41 119.66 125.79 1f51 s GLN 138 Ca 0.04 0.56 0.23 0.00 0.05 0.00 0.00 55.36 56.23 1f51 s GLN 138 Cb -0.25 -3.62 0.13 0.00 1.10 0.00 0.00 33.01 30.37 1f51 s GLN 138 CO 0.05 -0.35 1.18 0.25 -0.55 0.00 0.00 175.29 175.86 1f51 n THR 139 N 5.02 0.00 -1.55 -0.34 -2.24 0.67 -3.28 114.28 112.55 1f51 n THR 139 Ca -0.01 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 1f51 n THR 139 Cb 0.49 1.41 0.20 0.00 -2.10 0.00 0.00 70.33 70.34 1f51 n THR 139 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1f51 n ASP 140 N 0.92 2.04 -4.75 3.42 5.75 -1.26 -4.85 116.55 117.84 1f51 n ASP 140 Ca 0.12 -3.87 -0.40 0.00 -0.01 0.00 0.00 54.79 50.63 1f51 n ASP 140 Cb 0.54 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1f51 n ASP 140 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1f51 s HIS 141 N -3.25 3.75 -0.07 2.11 2.46 -1.26 -4.96 115.29 114.07 1f51 s HIS 141 Ca 0.41 1.76 0.31 0.00 0.47 0.00 0.00 55.06 58.01 1f51 s HIS 141 Cb 0.39 -3.15 1.19 0.00 -0.13 0.00 0.00 32.58 30.88 1f51 s HIS 141 CO -0.04 -0.13 1.90 -1.00 -2.47 0.00 0.00 174.74 173.00 1f51 h PRO 142 N 4.53 0.00 0.00 2.88 0.13 -1.99 -3.36 132.00 134.18 1f51 h PRO 142 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1f51 h PRO 142 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1f51 h PRO 142 CO 0.69 0.00 -1.32 -3.47 -0.23 0.00 0.00 178.00 173.67 1f51 n ASP 143 N -2.93 3.71 -4.79 1.44 4.64 -1.26 -5.03 116.55 112.32 1f51 n ASP 143 Ca 0.01 -0.02 -0.22 0.00 -1.38 0.00 0.00 54.79 53.19 1f51 n ASP 143 Cb 0.32 0.26 -0.05 0.00 -1.04 0.00 0.00 41.12 40.61 1f51 n ASP 143 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1f51 s ARG 144 N -2.11 2.66 0.10 -0.67 1.81 -1.26 -5.01 118.95 114.47 1f51 s ARG 144 Ca -0.05 -1.29 0.24 0.00 -1.72 0.00 0.00 55.73 52.92 1f51 s ARG 144 Cb 0.02 -2.40 0.41 0.00 -0.45 0.00 0.00 34.95 32.53 1f51 s ARG 144 CO 0.16 0.23 1.37 1.04 -0.68 0.00 0.00 175.30 177.41 1f51 n GLN 145 N -1.21 0.23 -3.24 3.54 3.00 -0.86 -4.30 117.38 114.55 1f51 n GLN 145 Ca -0.04 0.07 0.03 0.00 -0.01 0.00 0.00 57.00 57.05 1f51 n GLN 145 Cb 0.59 -1.65 -0.03 0.00 0.00 0.00 0.00 30.24 29.15 1f51 n GLN 145 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1f51 s LEU 146 N -3.99 -0.29 0.05 1.08 0.20 -0.98 -4.80 118.68 109.96 1f51 s LEU 146 Ca 0.07 0.34 0.07 0.00 0.69 0.00 0.00 54.13 55.30 1f51 s LEU 146 Cb 0.14 1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 47.17 1f51 s LEU 146 CO 0.71 -0.05 -0.17 0.27 -0.29 0.00 0.00 176.35 176.81 1f51 s ILE 147 N 2.39 2.88 -0.12 6.68 -4.36 -1.21 0.16 121.20 127.63 1f51 s ILE 147 Ca -0.01 -1.21 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1f51 s ILE 147 Cb -0.04 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 1f51 s ILE 147 CO -0.15 0.30 -0.10 -0.76 0.24 0.00 0.00 174.94 174.47 1f51 s LEU 148 N -1.57 2.93 -0.09 0.37 2.01 0.42 -2.09 118.68 120.66 1f51 s LEU 148 Ca 0.16 -0.22 0.04 0.00 0.01 0.00 0.00 54.13 54.12 1f51 s LEU 148 Cb -0.11 -1.66 -0.01 0.00 0.01 0.00 0.00 46.19 44.42 1f51 s LEU 148 CO 0.06 0.21 -0.23 -0.31 1.01 0.00 0.00 176.35 177.09 1f51 s TYR 149 N 0.09 2.54 -0.13 0.29 2.02 -0.64 -0.07 117.35 121.46 1f51 s TYR 149 Ca -0.04 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.78 1f51 s TYR 149 Cb -0.14 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1f51 s TYR 149 CO 0.04 -0.32 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.02 1f51 s LEU 150 N 0.16 1.81 -0.21 -1.29 1.02 -0.02 -0.83 118.68 119.32 1f51 s LEU 150 Ca -0.13 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1f51 s LEU 150 Cb -0.16 -1.21 0.02 0.00 0.02 0.00 0.00 46.19 44.86 1f51 s LEU 150 CO 0.07 0.01 -0.14 -0.62 0.02 0.00 0.00 176.35 175.68 1f51 s ASP 151 N 1.11 3.64 0.15 2.29 -1.08 -0.29 -1.62 116.67 120.87 1f51 s ASP 151 Ca -0.03 -0.74 0.11 0.00 -0.52 0.00 0.00 52.55 51.37 1f51 s ASP 151 Cb -0.14 -1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 1f51 s ASP 151 CO -0.05 -0.05 -0.26 0.12 0.52 0.00 0.00 175.17 175.46 1f51 s PHE 152 N 1.30 2.32 -0.07 -5.34 5.36 -0.56 0.07 117.98 121.07 1f51 s PHE 152 Ca 0.03 -0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1f51 s PHE 152 Cb -0.15 -1.23 0.03 0.00 -0.34 0.00 0.00 43.02 41.34 1f51 s PHE 152 CO -0.09 0.39 0.17 -1.58 -1.46 0.00 0.00 175.22 172.64 1f51 s HIS 153 N -1.23 -0.19 0.00 10.12 5.65 -0.67 -2.34 115.29 126.62 1f51 s HIS 153 Ca 0.16 0.51 0.00 0.00 0.25 0.00 0.00 55.06 55.98 1f51 s HIS 153 Cb -0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 32.58 31.29 1f51 s HIS 153 CO 0.07 -0.15 0.00 0.41 -0.65 0.00 0.00 174.74 174.42 1f51 n GLY 154 N 3.79 -0.52 3.46 1.59 0.00 0.74 -2.07 105.19 112.18 1f51 n GLY 154 Ca -0.21 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1f51 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f51 s ALA 155 N -1.00 -1.38 -0.13 4.61 0.00 -1.26 -4.41 121.76 118.19 1f51 s ALA 155 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 1f51 s ALA 155 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1f51 s ALA 155 CO 0.00 -0.27 -0.08 -0.06 0.00 0.00 0.00 175.76 175.36 1f51 s PHE 156 N 0.24 2.93 -0.21 0.00 0.08 -1.26 0.17 117.98 119.92 1f51 s PHE 156 Ca -0.00 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 1f51 s PHE 156 Cb -0.04 -1.87 -0.19 0.00 -0.57 0.00 0.00 43.02 40.35 1f51 s PHE 156 CO 0.01 -0.04 0.14 0.00 -0.10 0.00 0.00 175.22 175.23 1f51 n ALA 157 N 3.32 0.86 -3.60 5.36 0.00 0.58 -4.59 120.51 122.43 1f51 n ALA 157 Ca -0.18 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 1f51 n ALA 157 Cb 0.53 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1f51 n ALA 157 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f51 n ASP 158 N -4.32 3.12 0.28 0.00 2.03 -0.87 -4.88 116.55 111.93 1f51 n ASP 158 Ca -0.35 -3.27 0.19 0.00 0.52 0.00 0.00 54.79 51.87 1f51 n ASP 158 Cb 0.74 -0.70 0.90 0.00 -0.72 0.00 0.00 41.12 41.34 1f51 n ASP 158 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1f51 h PRO 159 N 4.71 0.00 0.00 -0.67 0.13 -1.81 -2.14 132.00 132.22 1f51 h PRO 159 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1f51 h PRO 159 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1f51 h PRO 159 CO 0.75 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 1f51 n SER 160 N -2.95 0.00 0.11 1.44 3.41 -1.26 -2.88 113.62 111.48 1f51 n SER 160 Ca -0.01 -1.12 0.03 0.00 -0.26 0.00 0.00 58.87 57.51 1f51 n SER 160 Cb 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1f51 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f51 h ALA 161 N 2.40 0.67 -0.01 7.33 0.00 -1.69 -3.21 119.26 124.75 1f51 h ALA 161 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1f51 h ALA 161 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f51 h ALA 161 CO 0.00 0.61 0.00 1.19 0.00 0.00 0.00 179.25 181.05 1f51 n PHE 162 N -3.04 0.02 0.16 0.00 3.72 -1.14 -4.33 117.46 112.84 1f51 n PHE 162 Ca -0.02 -0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1f51 n PHE 162 Cb 0.74 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.21 1f51 n PHE 162 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1f51 h ASP 163 N 0.17 -0.96 -0.50 4.37 3.32 -1.78 -2.60 116.42 118.44 1f51 h ASP 163 Ca 0.00 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.18 1f51 h ASP 163 Cb 0.04 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 1f51 h ASP 163 CO 0.00 -0.42 -0.40 -0.78 -1.72 0.00 0.00 179.24 175.92 1f51 h ASP 164 N -0.62 -1.41 0.06 6.45 1.82 -1.83 0.84 116.42 121.73 1f51 h ASP 164 Ca -0.03 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1f51 h ASP 164 Cb 0.56 0.60 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1f51 h ASP 164 CO -0.09 -0.22 0.00 0.00 -1.61 0.00 0.00 179.24 177.33 1f51 n ILE 165 N -4.56 1.02 -0.01 2.25 3.06 -1.23 -2.76 119.36 117.12 1f51 n ILE 165 Ca -0.00 0.70 -0.08 0.00 -2.50 0.00 0.00 62.75 60.86 1f51 n ILE 165 Cb 0.21 -1.69 -0.07 0.00 0.54 0.00 0.00 39.64 38.63 1f51 n ILE 165 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1f51 h ARG 166 N 0.00 -0.09 -4.50 9.51 3.08 -0.42 -3.37 114.38 118.59 1f51 h ARG 166 Ca 0.00 0.01 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 1f51 h ARG 166 Cb 0.03 0.02 -0.31 0.00 0.08 0.00 0.00 29.97 29.79 1f51 h ARG 166 CO 0.00 0.37 -0.52 -0.65 -1.07 0.00 0.00 179.97 178.09 1f51 s GLN 167 N -2.42 2.37 0.00 0.04 -0.21 -1.07 -4.72 119.66 113.64 1f51 s GLN 167 Ca -0.10 -1.57 0.00 0.00 0.02 0.00 0.00 55.36 53.71 1f51 s GLN 167 Cb -0.01 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1f51 s GLN 167 CO 0.38 -0.96 0.00 0.09 -2.12 0.00 0.00 175.29 172.68 1f51 n ASN 168 N 4.77 0.00 -0.32 5.90 5.03 -1.19 -4.66 115.26 124.79 1f51 n ASN 168 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1f51 n ASN 168 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1f51 n ASN 168 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f51 n GLY 169 N 0.99 1.55 2.74 7.41 0.00 -1.26 -3.63 105.19 113.00 1f51 n GLY 169 Ca 0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1f51 n GLY 169 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f51 s TYR 170 N 2.85 0.33 0.00 1.61 5.04 -1.26 -4.62 117.35 121.30 1f51 s TYR 170 Ca 0.00 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1f51 s TYR 170 Cb 0.00 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.73 1f51 s TYR 170 CO 0.00 -0.23 0.00 0.39 -1.34 0.00 0.00 175.55 174.37 1f51 n GLU 171 N 5.01 0.00 -1.31 4.97 1.02 -1.26 -2.76 120.64 126.30 1f51 n GLU 171 Ca -0.09 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.79 1f51 n GLU 171 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.92 1f51 n GLU 171 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1f51 n ASP 172 N -3.95 6.68 -4.23 1.62 5.75 -1.26 -4.85 116.55 116.30 1f51 n ASP 172 Ca 0.00 -3.27 -0.33 0.00 -0.01 0.00 0.00 54.79 51.19 1f51 n ASP 172 Cb 0.00 -1.14 -0.16 0.00 -1.03 0.00 0.00 41.12 38.79 1f51 n ASP 172 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1f51 s VAL 173 N -2.74 2.36 -0.58 2.12 -7.23 -1.11 -4.74 120.40 108.48 1f51 s VAL 173 Ca 0.50 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 59.50 1f51 s VAL 173 Cb 0.35 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 35.37 1f51 s VAL 173 CO -0.15 0.54 1.14 -0.62 -0.31 0.00 0.00 175.10 175.71 1f51 s ASP 174 N 0.63 6.41 -0.82 4.85 2.15 -0.86 -4.57 116.67 124.46 1f51 s ASP 174 Ca -0.10 -0.02 -0.25 0.00 0.43 0.00 0.00 52.55 52.61 1f51 s ASP 174 Cb -0.16 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 1f51 s ASP 174 CO 0.02 -1.45 1.49 -0.63 -0.17 0.00 0.00 175.17 174.44 1f51 s ILE 175 N 4.78 3.69 0.30 4.11 1.01 -1.26 -0.02 121.20 133.81 1f51 s ILE 175 Ca 0.40 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 61.10 1f51 s ILE 175 Cb -0.09 -4.71 0.01 0.00 0.01 0.00 0.00 42.46 37.68 1f51 s ILE 175 CO 0.24 -1.64 1.67 0.24 0.00 0.00 0.00 174.94 175.45 1f51 h MET 176 N 10.86 0.02 -2.17 2.79 2.86 -0.76 -3.46 114.93 125.07 1f51 h MET 176 Ca -0.09 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1f51 h MET 176 Cb 1.05 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.51 1f51 h MET 176 CO 1.31 0.56 0.07 0.50 1.06 0.00 0.00 176.91 180.41 1f51 s ARG 177 N -3.80 0.86 -0.44 1.72 3.52 -0.75 -4.92 118.95 115.14 1f51 s ARG 177 Ca -0.02 0.61 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 1f51 s ARG 177 Cb 0.13 0.41 0.18 0.00 -1.56 0.00 0.00 34.95 34.11 1f51 s ARG 177 CO 0.76 -0.18 0.60 0.12 -0.81 0.00 0.00 175.30 175.79 1f51 s PHE 178 N -0.29 -1.30 -0.04 5.12 2.19 -1.23 -0.64 117.98 121.80 1f51 s PHE 178 Ca -0.05 -0.33 -0.03 0.00 0.33 0.00 0.00 56.93 56.86 1f51 s PHE 178 Cb -0.03 0.13 -0.04 0.00 -1.31 0.00 0.00 43.02 41.77 1f51 s PHE 178 CO 0.04 -1.16 0.14 -1.21 1.83 0.00 0.00 175.22 174.87 1f51 s GLU 179 N 1.37 3.33 -0.14 10.12 0.41 0.89 -4.93 118.70 129.76 1f51 s GLU 179 Ca 0.21 -0.32 -0.05 0.00 -0.41 0.00 0.00 54.97 54.40 1f51 s GLU 179 Cb -0.04 -3.05 0.07 0.00 -1.78 0.00 0.00 34.13 29.32 1f51 s GLU 179 CO -0.06 0.69 0.30 -1.50 -0.49 0.00 0.00 175.26 174.20 1f51 s ILE 180 N -1.21 -0.41 0.00 -1.63 2.07 -1.26 -0.04 121.20 118.71 1f51 s ILE 180 Ca 0.23 0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 1f51 s ILE 180 Cb -0.12 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 41.98 1f51 s ILE 180 CO 0.14 0.10 0.00 0.35 -1.91 0.00 0.00 174.94 173.62 1f51 n THR 181 N 5.22 0.00 -0.00 4.00 -2.24 -0.65 -5.01 114.28 115.59 1f51 n THR 181 Ca -0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1f51 n THR 181 Cb 0.50 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 1f51 n THR 181 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1f51 h SER 182 N 0.00 0.09 0.00 3.42 0.02 -2.01 -3.37 113.55 111.70 1f51 h SER 182 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1f51 h SER 182 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1f51 h SER 182 CO 0.00 0.21 0.00 1.41 -1.14 0.00 0.00 176.83 177.31 1f51 n HIS 183 N -4.96 0.00 -4.48 3.45 -0.00 -1.26 -4.33 115.22 103.64 1f51 n HIS 183 Ca -0.06 -0.09 -0.23 0.00 -0.00 0.00 0.00 57.72 57.34 1f51 n HIS 183 Cb 0.10 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.99 29.98 1f51 n HIS 183 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1f51 s GLU 184 N -0.18 1.67 -0.23 -0.41 2.02 -1.26 0.26 118.70 120.58 1f51 s GLU 184 Ca 0.00 -1.86 -0.10 0.00 0.02 0.00 0.00 54.97 53.03 1f51 s GLU 184 Cb 0.00 -1.38 0.09 0.00 0.10 0.00 0.00 34.13 32.94 1f51 s GLU 184 CO 0.00 0.07 0.52 0.00 0.02 0.00 0.00 175.26 175.87 1f51 s LEU 186 N 2.12 2.62 -0.03 0.00 1.43 0.94 -1.49 118.68 124.27 1f51 s LEU 186 Ca -0.06 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1f51 s LEU 186 Cb -0.10 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1f51 s LEU 186 CO -0.15 0.17 -0.03 -0.63 0.23 0.00 0.00 176.35 175.94 1f51 s ILE 187 N 0.31 0.35 -0.16 -0.59 1.01 -0.64 -0.08 121.20 121.41 1f51 s ILE 187 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1f51 s ILE 187 Cb -0.16 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 41.95 1f51 s ILE 187 CO 0.06 0.16 -0.14 -1.61 0.00 0.00 0.00 174.94 173.41 1f51 s GLU 188 N 0.67 2.35 -0.06 2.79 2.02 0.19 -0.84 118.70 125.82 1f51 s GLU 188 Ca -0.08 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.37 1f51 s GLU 188 Cb -0.11 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 1f51 s GLU 188 CO -0.01 -0.25 -0.25 0.42 0.02 0.00 0.00 175.26 175.20 1f51 s ILE 189 N 1.46 2.02 0.08 -1.63 1.01 0.90 0.01 121.20 125.04 1f51 s ILE 189 Ca 0.05 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1f51 s ILE 189 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1f51 s ILE 189 CO -0.11 0.56 -0.02 -0.83 0.00 0.00 0.00 174.94 174.54 1f51 s GLY 190 N -0.16 1.88 0.05 6.18 0.00 0.97 0.16 107.32 116.40 1f51 s GLY 190 Ca -0.03 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.62 1f51 s GLY 190 CO 0.04 -1.08 -0.16 1.08 0.00 0.00 0.00 173.10 172.98 1f51 s LEU 191 N -2.16 2.20 0.00 0.66 1.43 0.43 -2.03 118.68 119.20 1f51 s LEU 191 Ca 0.24 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1f51 s LEU 191 Cb -0.12 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1f51 s LEU 191 CO 0.16 0.04 0.25 0.47 0.23 0.00 0.00 176.35 177.50