#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x90 n MET 4 N 0.00 2.66 0.07 5.31 0.00 -1.26 -4.67 117.12 119.23 1x90 n MET 4 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1x90 n MET 4 Cb 0.00 -0.83 0.33 0.00 0.00 0.00 0.00 33.22 32.71 1x90 n MET 4 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1x90 h SER 5 N 0.00 0.33 -0.82 7.83 0.02 -2.02 -0.23 113.55 118.67 1x90 h SER 5 Ca 0.00 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1x90 h SER 5 Cb 0.65 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.02 1x90 h SER 5 CO 0.00 0.49 0.43 0.74 -1.14 0.00 0.00 176.83 177.35 1x90 h THR 6 N 0.33 0.79 0.02 -2.27 2.02 -2.01 -1.60 112.91 110.19 1x90 h THR 6 Ca 0.06 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1x90 h THR 6 Cb 0.43 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1x90 h THR 6 CO 0.03 0.12 -0.01 0.40 0.37 0.00 0.00 175.52 176.43 1x90 h ILE 7 N 0.66 0.00 -0.98 3.11 2.04 -1.50 -3.39 117.51 117.45 1x90 h ILE 7 Ca 0.42 -0.04 0.34 0.00 1.00 0.00 0.00 64.86 66.58 1x90 h ILE 7 Cb 0.53 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.44 1x90 h ILE 7 CO -0.32 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.26 1x90 n ASP 9 N -5.23 0.49 0.03 0.00 8.00 -0.61 -1.39 116.55 117.85 1x90 n ASP 9 Ca 0.31 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.64 1x90 n ASP 9 Cb 1.03 -0.78 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1x90 n ASP 9 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x90 n LYS 10 N -2.13 0.23 -2.30 -1.24 5.02 0.66 -4.94 118.16 113.47 1x90 n LYS 10 Ca -0.01 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1x90 n LYS 10 Cb 0.06 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1x90 n LYS 10 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x90 s THR 11 N -3.15 4.43 -1.71 -0.18 2.01 -0.48 -4.92 115.64 111.63 1x90 s THR 11 Ca 0.06 1.13 0.20 0.00 0.31 0.00 0.00 61.69 63.39 1x90 s THR 11 Cb 0.15 -3.67 0.46 0.00 0.01 0.00 0.00 72.50 69.44 1x90 s THR 11 CO 0.76 -0.69 1.60 0.18 -0.69 0.00 0.00 174.62 175.78 1x90 n LEU 12 N -1.75 0.00 -2.97 4.42 4.32 -1.26 -3.76 117.00 116.00 1x90 n LEU 12 Ca 0.07 0.15 -0.13 0.00 -0.02 0.00 0.00 56.01 56.08 1x90 n LEU 12 Cb 0.54 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 42.17 1x90 n LEU 12 CO 0.47 -0.05 -0.03 -3.20 -1.22 0.00 0.00 177.39 173.37 1x90 n ASN 13 N -1.15 -2.26 -0.30 -1.43 4.05 -1.26 -5.01 115.26 107.91 1x90 n ASN 13 Ca 0.12 -2.81 -0.06 0.00 0.45 0.00 0.00 54.58 52.29 1x90 n ASN 13 Cb 0.11 0.93 0.07 0.00 1.23 0.00 0.00 39.78 42.12 1x90 n ASN 13 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1x90 h PRO 14 N 4.94 1.20 -0.22 1.20 0.11 -1.69 -2.33 132.00 135.20 1x90 h PRO 14 Ca 0.09 -0.21 0.04 0.00 0.11 0.00 0.00 66.00 66.03 1x90 h PRO 14 Cb 1.02 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1x90 h PRO 14 CO 0.20 0.97 -0.03 0.66 -0.21 0.00 0.00 178.00 179.58 1x90 h SER 15 N 1.18 -0.15 0.47 -2.05 4.64 -1.94 0.75 113.55 116.46 1x90 h SER 15 Ca 0.27 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1x90 h SER 15 Cb 0.20 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1x90 h SER 15 CO -0.02 -0.04 -0.41 0.15 -0.87 0.00 0.00 176.83 175.63 1x90 h PHE 16 N 0.03 -1.12 -0.59 4.77 3.57 -1.95 -2.67 116.94 118.99 1x90 h PHE 16 Ca 0.11 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1x90 h PHE 16 Cb 0.15 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1x90 h PHE 16 CO -0.21 -0.58 -0.42 0.00 -2.23 0.00 0.00 178.31 174.87 1x90 h LEU 18 N -0.09 -1.45 -0.68 0.00 3.38 -0.84 0.75 115.31 116.39 1x90 h LEU 18 Ca 0.10 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.40 1x90 h LEU 18 Cb 0.33 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1x90 h LEU 18 CO -0.60 -0.43 0.07 0.50 0.09 0.00 0.00 178.44 178.07 1x90 h LYS 19 N -0.48 0.17 0.48 1.13 3.11 -1.06 0.70 116.57 120.62 1x90 h LYS 19 Ca 0.08 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1x90 h LYS 19 Cb 0.63 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1x90 h LYS 19 CO -0.45 0.11 -0.23 0.35 -2.81 0.00 0.00 179.45 176.42 1x90 h PHE 20 N 0.17 -0.60 0.00 1.91 3.57 0.21 0.24 116.94 122.44 1x90 h PHE 20 Ca 0.37 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1x90 h PHE 20 Cb 0.62 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1x90 h PHE 20 CO -0.33 -0.28 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.33 1x90 h LEU 21 N -0.90 0.00 0.15 0.59 4.07 0.99 0.47 115.31 120.68 1x90 h LEU 21 Ca -0.07 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.59 1x90 h LEU 21 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1x90 h LEU 21 CO 0.11 0.07 -1.47 0.78 -1.08 0.00 0.00 178.44 176.84 1x90 h ASN 22 N 0.00 0.49 0.65 -0.43 -0.26 0.49 -2.54 115.58 113.99 1x90 h ASN 22 Ca -0.00 -0.61 -0.03 0.00 -0.56 0.00 0.00 56.30 55.10 1x90 h ASN 22 Cb 0.12 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1x90 h ASN 22 CO 0.01 1.50 -0.31 0.74 -1.06 0.00 0.00 177.43 178.30 1x90 h THR 23 N 0.09 0.10 -0.89 2.81 2.02 0.03 0.43 112.91 117.50 1x90 h THR 23 Ca -0.23 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 66.75 1x90 h THR 23 Cb 2.04 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1x90 h THR 23 CO 0.19 0.01 0.57 0.11 0.37 0.00 0.00 175.52 176.78 1x90 h LYS 24 N -1.18 0.71 -0.15 6.66 1.79 -1.08 0.87 116.57 124.19 1x90 h LYS 24 Ca -0.09 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1x90 h LYS 24 Cb 0.70 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1x90 h LYS 24 CO 0.15 0.47 -0.06 0.35 -1.08 0.00 0.00 179.45 179.28 1x90 h PHE 25 N 0.73 0.36 0.85 -1.35 3.04 -1.39 0.03 116.94 119.21 1x90 h PHE 25 Ca 0.44 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 62.27 1x90 h PHE 25 Cb 0.65 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1x90 h PHE 25 CO -0.00 0.62 -0.47 0.00 -2.02 0.00 0.00 178.31 176.43 1x90 h ALA 26 N 0.69 -1.25 -0.62 2.41 0.00 -0.27 -0.58 119.26 119.63 1x90 h ALA 26 Ca 0.04 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1x90 h ALA 26 Cb 0.51 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1x90 h ALA 26 CO 0.02 -1.21 -0.21 0.66 0.00 0.00 0.00 179.25 178.51 1x90 h SER 27 N -1.22 -0.75 -0.73 0.00 4.64 -0.85 0.38 113.55 115.01 1x90 h SER 27 Ca -0.11 0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1x90 h SER 27 Cb 0.96 0.45 -0.05 0.00 -0.31 0.00 0.00 62.40 63.45 1x90 h SER 27 CO 0.15 -0.24 0.48 0.00 -0.87 0.00 0.00 176.83 176.35 1x90 h ALA 28 N 1.46 1.74 0.15 5.18 0.00 -0.76 0.15 119.26 127.18 1x90 h ALA 28 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1x90 h ALA 28 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x90 h ALA 28 CO -0.67 0.13 -0.07 -0.97 0.00 0.00 0.00 179.25 177.68 1x90 h ASN 29 N 0.72 -0.17 -0.33 0.00 -0.73 0.13 -2.29 115.58 112.92 1x90 h ASN 29 Ca 0.32 -0.28 0.04 0.00 1.87 0.00 0.00 56.30 58.25 1x90 h ASN 29 Cb 0.32 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 1x90 h ASN 29 CO -0.11 0.21 0.08 -0.07 -0.37 0.00 0.00 177.43 177.17 1x90 h LEU 30 N -0.57 0.04 -1.60 0.34 3.38 -0.40 -0.20 115.31 116.29 1x90 h LEU 30 Ca -0.02 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.25 1x90 h LEU 30 Cb 0.44 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1x90 h LEU 30 CO 0.03 0.06 0.67 -0.61 0.09 0.00 0.00 178.44 178.68 1x90 h GLN 31 N 0.20 0.27 0.08 1.13 -0.00 -0.63 -1.28 115.11 114.88 1x90 h GLN 31 Ca 0.15 -0.02 -0.28 0.00 -0.00 0.00 0.00 58.65 58.50 1x90 h GLN 31 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1x90 h GLN 31 CO -0.19 0.18 -1.40 0.00 0.00 0.00 0.00 178.83 177.42 1x90 h ALA 32 N 1.58 0.31 -0.13 3.38 0.00 -0.46 -2.98 119.26 120.96 1x90 h ALA 32 Ca 0.52 -1.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1x90 h ALA 32 Cb 1.54 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1x90 h ALA 32 CO -0.17 1.18 -0.57 -0.07 0.00 0.00 0.00 179.25 179.62 1x90 h LEU 33 N 0.05 0.44 0.29 0.00 3.38 -0.45 -2.22 115.31 116.80 1x90 h LEU 33 Ca -0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1x90 h LEU 33 Cb 1.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1x90 h LEU 33 CO 0.15 0.92 -0.14 0.00 0.09 0.00 0.00 178.44 179.46 1x90 h ALA 34 N 1.09 -0.39 -0.59 1.53 0.00 -1.37 -0.68 119.26 118.84 1x90 h ALA 34 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1x90 h ALA 34 Cb 1.09 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 1x90 h ALA 34 CO 0.10 -0.61 -0.44 -0.22 0.00 0.00 0.00 179.25 178.07 1x90 h LYS 35 N -0.61 -0.21 -0.68 0.00 3.11 -1.43 0.19 116.57 116.94 1x90 h LYS 35 Ca -0.04 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 1x90 h LYS 35 Cb 0.44 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1x90 h LYS 35 CO 0.07 -0.14 0.17 1.15 -2.81 0.00 0.00 179.45 177.88 1x90 h THR 36 N -0.22 1.26 -0.04 1.00 2.02 -1.33 -0.71 112.91 114.88 1x90 h THR 36 Ca 0.18 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1x90 h THR 36 Cb 0.56 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1x90 h THR 36 CO -0.70 0.36 0.01 0.74 0.37 0.00 0.00 175.52 176.30 1x90 h THR 37 N 1.02 1.20 -0.75 3.16 2.02 -0.39 -0.83 112.91 118.34 1x90 h THR 37 Ca 0.22 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1x90 h THR 37 Cb 0.35 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1x90 h THR 37 CO 0.00 0.16 0.46 -0.07 0.37 0.00 0.00 175.52 176.44 1x90 h LEU 38 N -0.17 0.90 0.23 2.58 3.38 -0.59 -1.04 115.31 120.61 1x90 h LEU 38 Ca 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x90 h LEU 38 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x90 h LEU 38 CO 0.00 0.69 -0.11 0.44 0.09 0.00 0.00 178.44 179.55 1x90 h ASP 39 N 1.03 -0.27 -0.50 -0.43 3.32 -0.97 0.55 116.42 119.16 1x90 h ASP 39 Ca 0.27 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1x90 h ASP 39 Cb -0.05 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 1x90 h ASP 39 CO -0.05 -0.08 -0.08 0.28 -1.72 0.00 0.00 179.24 177.58 1x90 h SER 40 N -0.44 -0.39 0.09 6.45 0.02 -1.01 0.18 113.55 118.46 1x90 h SER 40 Ca -0.03 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1x90 h SER 40 Cb 0.33 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1x90 h SER 40 CO 0.05 -0.14 -0.17 0.74 -1.14 0.00 0.00 176.83 176.18 1x90 h THR 41 N 0.03 0.61 -0.52 -2.27 2.02 -0.84 -1.24 112.91 110.71 1x90 h THR 41 Ca 0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.46 1x90 h THR 41 Cb 0.38 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1x90 h THR 41 CO -0.49 0.00 0.28 -0.61 0.37 0.00 0.00 175.52 175.08 1x90 h GLN 42 N -0.33 0.54 -0.32 6.66 5.75 0.11 -0.58 115.11 126.95 1x90 h GLN 42 Ca 0.02 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1x90 h GLN 42 Cb 0.34 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1x90 h GLN 42 CO -0.09 0.36 0.13 0.00 -2.65 0.00 0.00 178.83 176.57 1x90 h ALA 43 N 1.26 0.37 -0.19 3.38 0.00 -0.45 0.19 119.26 123.81 1x90 h ALA 43 Ca 0.22 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1x90 h ALA 43 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x90 h ALA 43 CO -0.13 -0.27 -0.34 0.00 0.00 0.00 0.00 179.25 178.51 1x90 h ARG 44 N 0.28 0.40 -0.33 0.00 3.08 -0.89 -1.30 114.38 115.61 1x90 h ARG 44 Ca 0.14 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1x90 h ARG 44 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1x90 h ARG 44 CO -0.13 0.69 -0.35 0.00 -1.07 0.00 0.00 179.97 179.12 1x90 h ALA 45 N 1.30 0.76 -0.51 0.04 0.00 -0.80 0.05 119.26 120.10 1x90 h ALA 45 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1x90 h ALA 45 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1x90 h ALA 45 CO 0.06 0.65 0.01 1.15 0.00 0.00 0.00 179.25 181.12 1x90 h THR 46 N 0.63 1.26 -0.06 0.00 2.02 -0.69 0.19 112.91 116.25 1x90 h THR 46 Ca 0.06 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1x90 h THR 46 Cb 0.89 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1x90 h THR 46 CO 0.08 0.38 0.01 1.56 0.37 0.00 0.00 175.52 177.92 1x90 h GLN 47 N 0.77 0.10 -0.66 6.66 1.08 -1.06 -1.35 115.11 120.64 1x90 h GLN 47 Ca 0.15 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1x90 h GLN 47 Cb 0.51 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1x90 h GLN 47 CO 0.02 0.34 0.41 1.15 -0.95 0.00 0.00 178.83 179.81 1x90 h THR 48 N -0.15 1.18 0.28 -0.54 2.02 -0.88 -1.44 112.91 113.38 1x90 h THR 48 Ca 0.02 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1x90 h THR 48 Cb 0.29 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1x90 h THR 48 CO 0.00 0.18 -0.13 0.25 0.37 0.00 0.00 175.52 176.19 1x90 h LEU 49 N 0.90 -0.32 0.11 2.58 5.85 -0.31 -0.89 115.31 123.24 1x90 h LEU 49 Ca 0.24 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1x90 h LEU 49 Cb -0.06 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1x90 h LEU 49 CO -0.05 -0.06 -0.27 0.07 -0.34 0.00 0.00 178.44 177.80 1x90 h LYS 50 N -0.58 -0.46 -0.90 1.25 2.10 -1.06 -1.22 116.57 115.71 1x90 h LYS 50 Ca -0.04 0.03 0.22 0.00 -2.00 0.00 0.00 60.65 58.86 1x90 h LYS 50 Cb 0.42 0.10 -0.12 0.00 -0.90 0.00 0.00 32.23 31.73 1x90 h LYS 50 CO 0.06 -0.31 0.40 -0.22 -2.00 0.00 0.00 179.45 177.39 1x90 h LYS 51 N -0.48 0.39 0.05 0.07 3.64 -1.22 0.25 116.57 119.29 1x90 h LYS 51 Ca 0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x90 h LYS 51 Cb 0.51 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1x90 h LYS 51 CO -0.16 0.26 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.19 1x90 h LEU 52 N 0.40 -0.06 -1.40 5.20 3.38 -0.63 0.59 115.31 122.80 1x90 h LEU 52 Ca 0.56 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.42 1x90 h LEU 52 Cb 1.06 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1x90 h LEU 52 CO -0.53 0.22 0.55 1.56 0.09 0.00 0.00 178.44 180.33 1x90 h GLN 53 N -0.34 0.58 0.02 1.13 4.20 0.27 -0.07 115.11 120.90 1x90 h GLN 53 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1x90 h GLN 53 Cb 0.30 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1x90 h GLN 53 CO 0.01 0.38 -0.01 0.77 -0.67 0.00 0.00 178.83 179.31 1x90 h SER 54 N 0.60 -0.03 -0.61 1.46 0.02 -0.30 -1.89 113.55 112.80 1x90 h SER 54 Ca 0.41 -0.52 0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1x90 h SER 54 Cb 0.74 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.21 1x90 h SER 54 CO -0.17 0.51 0.15 0.40 -1.14 0.00 0.00 176.83 176.58 1x90 h ILE 55 N -0.57 0.65 -0.69 3.27 2.04 -0.11 0.35 117.51 122.44 1x90 h ILE 55 Ca -0.00 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1x90 h ILE 55 Cb 0.54 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1x90 h ILE 55 CO 0.01 0.05 0.46 0.40 0.00 0.00 0.00 178.15 179.06 1x90 h ILE 56 N 0.28 1.17 0.45 -0.67 2.04 -1.05 -2.76 117.51 116.97 1x90 h ILE 56 Ca 0.32 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1x90 h ILE 56 Cb 0.48 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1x90 h ILE 56 CO -0.40 0.17 -0.31 0.44 0.00 0.00 0.00 178.15 178.06 1x90 h ASP 57 N 0.93 -0.78 0.00 1.72 3.45 0.32 -2.19 116.42 119.88 1x90 h ASP 57 Ca 0.25 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1x90 h ASP 57 Cb -0.10 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1x90 h ASP 57 CO -0.06 -0.47 0.14 0.61 -1.57 0.00 0.00 179.24 177.89 1x90 n GLY 58 N -1.44 -0.48 0.00 2.75 0.00 0.88 -4.91 105.19 102.00 1x90 n GLY 58 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1x90 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x90 n GLY 59 N -1.35 -1.39 3.61 -0.02 0.00 -0.82 -5.09 105.19 100.13 1x90 n GLY 59 Ca -0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1x90 n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x90 s VAL 60 N -1.26 0.01 0.82 1.61 -7.23 -1.26 -4.92 120.40 108.16 1x90 s VAL 60 Ca 0.00 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.86 1x90 s VAL 60 Cb 0.00 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 35.02 1x90 s VAL 60 CO 0.00 -0.04 1.18 1.51 -0.31 0.00 0.00 175.10 177.44 1x90 s ASP 61 N -2.96 3.60 0.31 4.85 -4.77 -1.26 -4.63 116.67 111.81 1x90 s ASP 61 Ca 0.17 2.28 0.07 0.00 -3.30 0.00 0.00 52.55 51.76 1x90 s ASP 61 Cb -0.02 -2.58 0.76 0.00 -1.09 0.00 0.00 42.92 39.99 1x90 s ASP 61 CO 0.05 -2.66 1.79 -0.65 0.70 0.00 0.00 175.17 174.41 1x90 h PRO 62 N -1.05 0.73 0.91 2.11 0.11 -2.01 0.16 132.00 132.96 1x90 h PRO 62 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1x90 h PRO 62 Cb 1.28 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1x90 h PRO 62 CO 0.46 0.49 -0.44 -0.09 -0.21 0.00 0.00 178.00 178.21 1x90 h ARG 63 N 0.76 -1.17 -0.53 1.05 9.65 -2.00 -1.84 114.38 120.29 1x90 h ARG 63 Ca 0.56 0.08 -0.05 0.00 -1.10 0.00 0.00 59.98 59.48 1x90 h ARG 63 Cb 0.89 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1x90 h ARG 63 CO -0.35 -0.78 0.14 0.77 2.80 0.00 0.00 179.97 182.55 1x90 h SER 64 N -1.26 0.74 -0.06 -3.80 0.02 -1.78 -2.73 113.55 104.68 1x90 h SER 64 Ca -0.12 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1x90 h SER 64 Cb 0.94 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1x90 h SER 64 CO 0.20 0.72 -0.11 0.50 -1.14 0.00 0.00 176.83 177.00 1x90 h LYS 65 N 0.78 -0.15 -0.19 3.45 3.64 -0.64 0.20 116.57 123.66 1x90 h LYS 65 Ca 0.17 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1x90 h LYS 65 Cb 0.26 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 1x90 h LYS 65 CO -0.00 -0.10 -0.26 1.25 -2.27 0.00 0.00 179.45 178.06 1x90 h LEU 66 N -0.16 -0.82 -0.43 5.20 5.85 -1.04 0.28 115.31 124.19 1x90 h LEU 66 Ca 0.06 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1x90 h LEU 66 Cb 0.24 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1x90 h LEU 66 CO -0.16 -0.30 0.24 0.00 -0.34 0.00 0.00 178.44 177.89 1x90 h ALA 67 N 0.66 0.55 0.00 1.25 0.00 -1.21 -0.75 119.26 119.75 1x90 h ALA 67 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x90 h ALA 67 Cb 0.48 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x90 h ALA 67 CO -0.36 0.06 -0.11 1.88 0.00 0.00 0.00 179.25 180.72 1x90 h TYR 68 N 0.56 0.00 0.06 0.00 0.99 -0.57 -0.32 116.97 117.69 1x90 h TYR 68 Ca 0.15 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.63 1x90 h TYR 68 Cb 0.03 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.77 1x90 h TYR 68 CO -0.03 0.11 -1.09 0.00 -0.00 0.00 0.00 178.16 177.15 1x90 h ARG 69 N 0.00 0.44 -0.41 4.88 3.08 0.37 -2.37 114.38 120.37 1x90 h ARG 69 Ca -0.00 -0.55 -0.10 0.00 0.07 0.00 0.00 59.98 59.39 1x90 h ARG 69 Cb 0.31 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1x90 h ARG 69 CO 0.01 1.21 -0.17 0.77 -1.07 0.00 0.00 179.97 180.72 1x90 h SER 70 N 0.21 0.77 -0.63 7.04 0.02 -0.28 -2.68 113.55 118.00 1x90 h SER 70 Ca -0.12 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 1x90 h SER 70 Cb 1.76 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 1x90 h SER 70 CO 0.19 0.94 0.09 0.00 -1.14 0.00 0.00 176.83 176.91 1x90 h VAL 72 N 0.97 1.00 0.00 0.00 2.07 -1.23 0.94 116.25 120.01 1x90 h VAL 72 Ca 0.19 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1x90 h VAL 72 Cb 0.46 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x90 h VAL 72 CO 0.02 0.09 -0.34 0.44 0.02 0.00 0.00 177.57 177.80 1x90 h ASP 73 N 0.52 0.00 -0.22 0.57 3.32 -1.31 -0.88 116.42 118.42 1x90 h ASP 73 Ca 0.20 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.07 1x90 h ASP 73 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1x90 h ASP 73 CO -0.12 0.34 -0.57 -0.33 -1.72 0.00 0.00 179.24 176.85 1x90 h GLU 74 N 0.00 0.77 -0.02 3.56 4.39 -0.36 -2.72 114.58 120.20 1x90 h GLU 74 Ca -0.00 -0.54 -0.16 0.00 0.34 0.00 0.00 59.36 59.00 1x90 h GLU 74 Cb 0.65 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1x90 h GLU 74 CO 0.04 1.16 -0.74 1.88 -1.16 0.00 0.00 179.01 180.20 1x90 h TYR 75 N 0.51 0.16 -0.40 4.33 0.05 -0.54 0.21 116.97 121.29 1x90 h TYR 75 Ca -0.01 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.56 1x90 h TYR 75 Cb 1.18 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1x90 h TYR 75 CO 0.08 0.81 -0.29 0.93 -1.05 0.00 0.00 178.16 178.64 1x90 h GLU 76 N 0.07 0.90 -0.02 4.88 5.08 -1.23 0.62 114.58 124.88 1x90 h GLU 76 Ca -0.02 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1x90 h GLU 76 Cb 1.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x90 h GLU 76 CO 0.11 1.09 -0.43 1.03 -1.00 0.00 0.00 179.01 179.80 1x90 h SER 77 N 0.71 0.05 -0.02 1.42 0.87 -1.35 -2.48 113.55 112.75 1x90 h SER 77 Ca 0.08 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 1x90 h SER 77 Cb 0.87 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1x90 h SER 77 CO 0.08 0.48 -0.56 0.00 -0.53 0.00 0.00 176.83 176.29 1x90 h ALA 78 N 1.52 0.10 -0.89 6.23 0.00 -0.20 -2.84 119.26 123.18 1x90 h ALA 78 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1x90 h ALA 78 Cb 0.79 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1x90 h ALA 78 CO 0.06 0.34 0.59 0.82 0.00 0.00 0.00 179.25 181.06 1x90 h ILE 79 N -0.08 1.23 0.06 0.00 2.04 -0.82 0.68 117.51 120.62 1x90 h ILE 79 Ca -0.06 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1x90 h ILE 79 Cb 1.26 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1x90 h ILE 79 CO 0.11 0.22 -0.03 1.23 0.00 0.00 0.00 178.15 179.68 1x90 h GLY 80 N 1.21 -0.09 1.26 5.37 0.00 -1.48 -2.66 103.07 106.68 1x90 h GLY 80 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.71 1x90 h GLY 80 CO -0.07 -0.03 0.45 3.43 0.00 0.00 0.00 176.54 180.32 1x90 h ASN 81 N -0.23 0.73 -0.14 0.19 2.35 -1.19 -0.18 115.58 117.11 1x90 h ASN 81 Ca -0.01 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1x90 h ASN 81 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1x90 h ASN 81 CO 0.01 0.51 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.92 1x90 h LEU 82 N 0.85 0.65 -0.11 1.61 3.38 -0.81 0.25 115.31 121.13 1x90 h LEU 82 Ca 0.26 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1x90 h LEU 82 Cb 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1x90 h LEU 82 CO -0.07 0.92 -0.30 -0.08 0.09 0.00 0.00 178.44 179.00 1x90 h GLU 83 N 0.54 0.40 -0.31 1.13 4.22 -1.07 -2.05 114.58 117.44 1x90 h GLU 83 Ca 0.06 -0.28 0.04 0.00 0.08 0.00 0.00 59.36 59.27 1x90 h GLU 83 Cb 0.80 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1x90 h GLU 83 CO 0.07 0.90 0.05 0.93 -2.18 0.00 0.00 179.01 178.77 1x90 h GLU 84 N -0.02 0.15 -0.69 1.92 5.08 -0.95 -0.25 114.58 119.83 1x90 h GLU 84 Ca -0.01 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1x90 h GLU 84 Cb 0.91 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1x90 h GLU 84 CO 0.06 0.10 0.48 0.00 -1.00 0.00 0.00 179.01 178.65 1x90 h ALA 85 N 1.23 2.29 -0.28 3.43 0.00 -0.87 0.22 119.26 125.27 1x90 h ALA 85 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1x90 h ALA 85 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x90 h ALA 85 CO -0.20 -0.48 -0.39 0.35 0.00 0.00 0.00 179.25 178.54 1x90 h PHE 86 N 0.26 0.78 -0.46 0.00 3.57 -0.32 -1.09 116.94 119.67 1x90 h PHE 86 Ca 0.34 -0.22 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1x90 h PHE 86 Cb 0.96 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1x90 h PHE 86 CO -0.00 0.94 -0.13 0.93 -2.23 0.00 0.00 178.31 177.82 1x90 h GLU 87 N 0.54 0.86 -0.26 1.11 5.08 0.25 -1.76 114.58 120.40 1x90 h GLU 87 Ca 0.05 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 1x90 h GLU 87 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1x90 h GLU 87 CO 0.08 0.94 -0.46 0.45 -1.00 0.00 0.00 179.01 179.02 1x90 h HIS 88 N 0.77 0.84 -0.93 4.33 3.86 -1.17 0.26 115.15 123.11 1x90 h HIS 88 Ca 0.12 -0.27 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1x90 h HIS 88 Cb 0.65 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1x90 h HIS 88 CO 0.04 1.02 0.61 1.25 0.86 0.00 0.00 177.93 181.70 1x90 h LEU 89 N 0.55 1.00 -0.28 2.43 5.85 -1.03 1.17 115.31 124.99 1x90 h LEU 89 Ca 0.03 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1x90 h LEU 89 Cb 1.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1x90 h LEU 89 CO 0.10 0.69 -0.15 0.00 -0.34 0.00 0.00 178.44 178.73 1x90 h ALA 90 N 1.46 0.40 0.00 1.25 0.00 -0.72 -2.08 119.26 119.57 1x90 h ALA 90 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x90 h ALA 90 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1x90 h ALA 90 CO -0.11 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1x90 n SER 91 N -4.41 0.00 -0.85 0.00 3.41 0.02 -4.83 113.62 106.97 1x90 n SER 91 Ca -0.03 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.45 1x90 n SER 91 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1x90 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x90 n GLY 92 N 0.81 0.68 2.76 5.00 0.00 -0.09 -4.94 105.19 109.41 1x90 n GLY 92 Ca 0.20 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1x90 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x90 n ASP 93 N 0.39 6.40 -4.70 1.61 2.03 0.38 -4.75 116.55 117.92 1x90 n ASP 93 Ca -0.10 -3.24 -0.42 0.00 0.52 0.00 0.00 54.79 51.55 1x90 n ASP 93 Cb 0.41 -1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 1x90 n ASP 93 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x90 s GLY 94 N -0.05 1.69 0.00 0.27 0.00 -1.26 -1.48 107.32 106.48 1x90 s GLY 94 Ca 0.42 1.13 0.00 0.00 0.00 0.00 0.00 44.72 46.26 1x90 s GLY 94 CO -0.01 2.69 0.00 -0.13 0.00 0.00 0.00 173.10 175.65 1x90 n MET 95 N 5.16 0.00 -0.14 2.90 0.00 -1.26 -4.73 117.12 119.05 1x90 n MET 95 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.72 1x90 n MET 95 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.62 1x90 n MET 95 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1x90 h GLY 96 N 0.00 0.99 0.85 -5.12 0.00 -1.85 0.32 103.07 98.26 1x90 h GLY 96 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 47.33 46.44 1x90 h GLY 96 CO 0.00 0.83 0.12 1.98 0.00 0.00 0.00 176.54 179.47 1x90 h MET 97 N 0.74 0.26 -0.23 4.80 -1.53 -1.54 0.20 114.93 117.64 1x90 h MET 97 Ca 0.09 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.36 1x90 h MET 97 Cb 0.81 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.78 1x90 h MET 97 CO 0.07 0.17 0.06 -0.97 0.14 0.00 0.00 176.91 176.38 1x90 h ASN 98 N 0.27 0.04 -0.10 1.39 -0.73 -1.69 0.16 115.58 114.92 1x90 h ASN 98 Ca 0.11 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.36 1x90 h ASN 98 Cb 0.05 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.62 1x90 h ASN 98 CO -0.09 0.05 -0.25 -0.03 -0.37 0.00 0.00 177.43 176.74 1x90 h MET 99 N 0.15 -0.33 -0.96 6.67 4.05 0.15 0.34 114.93 125.01 1x90 h MET 99 Ca 0.10 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1x90 h MET 99 Cb 0.09 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 1x90 h MET 99 CO -0.13 -0.22 0.64 0.87 0.23 0.00 0.00 176.91 178.30 1x90 h LYS 100 N -0.34 1.26 -0.42 0.39 6.56 -0.09 -1.53 116.57 122.40 1x90 h LYS 100 Ca 0.09 -0.08 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 1x90 h LYS 100 Cb 0.47 -0.28 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1x90 h LYS 100 CO -0.29 0.83 0.02 0.28 -2.06 0.00 0.00 179.45 178.23 1x90 h VAL 101 N 1.29 1.26 0.21 0.50 2.07 -0.01 -2.26 116.25 119.31 1x90 h VAL 101 Ca 0.35 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1x90 h VAL 101 Cb -0.14 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1x90 h VAL 101 CO -0.08 0.34 -0.33 0.28 0.02 0.00 0.00 177.57 177.80 1x90 h SER 102 N 0.56 -0.94 -0.91 0.57 0.02 0.24 -0.16 113.55 112.93 1x90 h SER 102 Ca 0.12 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.29 1x90 h SER 102 Cb 0.45 0.33 -0.14 0.00 0.14 0.00 0.00 62.40 63.18 1x90 h SER 102 CO 0.02 -0.39 -0.36 0.00 -1.14 0.00 0.00 176.83 174.95 1x90 n ALA 103 N -2.67 -0.13 -0.08 3.77 0.00 -0.63 0.92 120.51 121.68 1x90 n ALA 103 Ca -0.07 0.90 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 1x90 n ALA 103 Cb 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1x90 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x90 h ALA 104 N 1.21 0.27 -0.72 0.00 0.00 -0.98 -1.71 119.26 117.33 1x90 h ALA 104 Ca 0.31 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1x90 h ALA 104 Cb 0.53 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1x90 h ALA 104 CO -0.90 -0.41 0.34 1.25 0.00 0.00 0.00 179.25 179.53 1x90 h LEU 105 N 0.08 0.41 -1.56 0.00 6.46 0.24 0.16 115.31 121.10 1x90 h LEU 105 Ca 0.15 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1x90 h LEU 105 Cb 0.20 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1x90 h LEU 105 CO -0.25 0.22 0.05 0.44 -0.62 0.00 0.00 178.44 178.28 1x90 h ASP 106 N 0.55 0.30 -0.21 1.25 3.45 -0.04 0.09 116.42 121.81 1x90 h ASP 106 Ca 0.36 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.77 1x90 h ASP 106 Cb 0.43 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1x90 h ASP 106 CO -0.30 0.32 0.03 1.23 -1.57 0.00 0.00 179.24 178.95 1x90 h GLY 107 N 0.55 0.38 0.98 2.75 0.00 -0.13 0.72 103.07 108.32 1x90 h GLY 107 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1x90 h GLY 107 CO -0.00 0.24 0.17 0.00 0.00 0.00 0.00 176.54 176.94 1x90 h ALA 108 N 0.83 0.34 -0.43 3.60 0.00 -0.85 0.59 119.26 123.36 1x90 h ALA 108 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x90 h ALA 108 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1x90 h ALA 108 CO 0.00 -0.17 0.24 0.22 0.00 0.00 0.00 179.25 179.54 1x90 h ASP 109 N 0.35 0.53 -0.46 0.00 -0.00 -0.91 0.62 116.42 116.56 1x90 h ASP 109 Ca 0.10 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.00 1x90 h ASP 109 Cb -0.01 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.16 1x90 h ASP 109 CO -0.02 0.46 0.14 0.74 -0.00 0.00 0.00 179.24 180.56 1x90 h THR 110 N 0.56 1.21 0.56 2.25 2.02 -0.60 0.24 112.91 119.15 1x90 h THR 110 Ca 0.15 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1x90 h THR 110 Cb 0.05 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1x90 h THR 110 CO -0.02 0.28 -0.27 0.00 0.37 0.00 0.00 175.52 175.87 1x90 n LEU 112 N -5.33 -0.18 0.10 0.00 4.77 0.17 0.66 117.00 117.20 1x90 n LEU 112 Ca -0.12 1.60 -0.05 0.00 -0.03 0.00 0.00 56.01 57.42 1x90 n LEU 112 Cb 0.34 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1x90 n LEU 112 CO 0.32 -1.60 0.35 -0.78 -1.33 0.00 0.00 177.39 174.35 1x90 h ASP 113 N 0.00 0.07 0.85 -1.43 1.82 -0.67 0.36 116.42 117.42 1x90 h ASP 113 Ca 0.53 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 57.10 1x90 h ASP 113 Cb 1.03 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 1x90 h ASP 113 CO -0.91 0.81 -0.12 0.44 -1.61 0.00 0.00 179.24 177.85 1x90 h ASP 114 N 0.03 0.00 0.00 2.28 3.32 0.37 -3.36 116.42 119.06 1x90 h ASP 114 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1x90 h ASP 114 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1x90 h ASP 114 CO 0.11 0.12 -0.84 0.55 -1.72 0.00 0.00 179.24 177.46 1x90 n VAL 115 N -3.31 0.00 0.31 -1.35 3.14 -0.15 -4.68 118.33 112.29 1x90 n VAL 115 Ca -0.00 -0.05 0.18 0.00 -2.96 0.00 0.00 64.34 61.51 1x90 n VAL 115 Cb 0.35 0.53 1.02 0.00 -1.06 0.00 0.00 33.84 34.68 1x90 n VAL 115 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1x90 h LYS 116 N 0.00 0.00 0.00 1.45 2.10 -0.44 -1.56 116.57 118.12 1x90 h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1x90 h LYS 116 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1x90 h LYS 116 CO 0.00 0.02 -0.18 -2.13 -2.00 0.00 0.00 179.45 175.16 1x90 n ARG 117 N -3.44 0.02 -2.01 0.07 3.00 -1.26 -4.91 116.66 108.13 1x90 n ARG 117 Ca -0.03 0.01 -0.35 0.00 -0.00 0.00 0.00 57.85 57.49 1x90 n ARG 117 Cb 0.11 -1.52 0.03 0.00 0.00 0.00 0.00 32.46 31.08 1x90 n ARG 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x90 s LEU 118 N -3.12 3.62 0.00 6.15 1.43 -0.59 -4.97 118.68 121.20 1x90 s LEU 118 Ca 0.13 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1x90 s LEU 118 Cb 0.18 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1x90 s LEU 118 CO 0.59 -1.52 0.72 -1.14 0.23 0.00 0.00 176.35 175.24 1x90 n ARG 119 N -1.71 0.00 -3.79 1.70 3.00 -1.26 -4.13 116.66 110.47 1x90 n ARG 119 Ca 0.12 0.38 -0.32 0.00 -0.00 0.00 0.00 57.85 58.04 1x90 n ARG 119 Cb 0.50 -1.22 -0.10 0.00 0.00 0.00 0.00 32.46 31.65 1x90 n ARG 119 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1x90 s SER 120 N -2.32 5.32 0.99 6.15 0.01 -1.26 -5.08 113.70 117.52 1x90 s SER 120 Ca 0.00 -3.77 -0.12 0.00 1.31 0.00 0.00 55.95 53.37 1x90 s SER 120 Cb 0.00 -1.76 0.19 0.00 0.21 0.00 0.00 66.02 64.66 1x90 s SER 120 CO 0.00 -0.13 1.08 -0.69 0.41 0.00 0.00 173.24 173.91 1x90 s VAL 121 N -1.37 2.23 -0.25 3.43 1.01 -1.26 -4.97 120.40 119.23 1x90 s VAL 121 Ca 0.26 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1x90 s VAL 121 Cb -0.06 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1x90 s VAL 121 CO -0.14 -0.10 0.87 -0.62 0.00 0.00 0.00 175.10 175.11 1x90 s ASP 122 N -3.27 6.87 0.13 3.32 -1.08 -1.26 -4.94 116.67 116.43 1x90 s ASP 122 Ca 0.65 1.06 -0.33 0.00 -0.52 0.00 0.00 52.55 53.42 1x90 s ASP 122 Cb -0.20 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.70 1x90 s ASP 122 CO 0.59 -0.57 1.56 0.28 0.52 0.00 0.00 175.17 177.54 1x90 h SER 123 N 7.70 -1.70 -0.98 -0.34 0.02 -2.00 -2.56 113.55 113.70 1x90 h SER 123 Ca -0.22 0.21 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1x90 h SER 123 Cb 1.09 0.68 -0.15 0.00 0.14 0.00 0.00 62.40 64.16 1x90 h SER 123 CO 0.90 -0.45 -0.45 -1.28 -1.14 0.00 0.00 176.83 174.41 1x90 h SER 124 N -0.51 -1.65 -0.52 3.07 0.87 -1.99 0.15 113.55 112.97 1x90 h SER 124 Ca 0.06 0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.99 1x90 h SER 124 Cb 0.65 0.81 -0.05 0.00 -0.44 0.00 0.00 62.40 63.37 1x90 h SER 124 CO -0.49 -0.27 0.23 0.58 -0.53 0.00 0.00 176.83 176.35 1x90 h VAL 125 N -0.01 0.89 0.00 2.23 2.07 -1.86 -1.00 116.25 118.57 1x90 h VAL 125 Ca 0.29 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1x90 h VAL 125 Cb 0.54 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x90 h VAL 125 CO -0.96 0.08 -0.00 0.58 0.02 0.00 0.00 177.57 177.29 1x90 h VAL 126 N 0.44 1.00 -0.05 2.57 2.07 -0.42 -1.05 116.25 120.81 1x90 h VAL 126 Ca 0.24 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1x90 h VAL 126 Cb 0.21 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1x90 h VAL 126 CO -0.20 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.17 1x90 h ASN 127 N -0.01 0.08 -0.69 0.57 2.35 -0.64 -2.01 115.58 115.23 1x90 h ASN 127 Ca -0.00 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1x90 h ASN 127 Cb 0.01 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1x90 h ASN 127 CO 0.00 0.34 0.46 0.78 -1.65 0.00 0.00 177.43 177.36 1x90 h ASN 128 N -0.19 0.75 -0.36 5.81 2.35 -1.22 0.35 115.58 123.07 1x90 h ASN 128 Ca 0.01 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1x90 h ASN 128 Cb 0.30 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1x90 h ASN 128 CO 0.00 0.52 -0.02 0.28 -1.65 0.00 0.00 177.43 176.56 1x90 h SER 129 N 0.87 0.71 0.53 5.81 0.02 -0.96 0.15 113.55 120.68 1x90 h SER 129 Ca 0.27 -0.18 -0.29 0.00 -0.84 0.00 0.00 61.79 60.75 1x90 h SER 129 Cb 0.01 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1x90 h SER 129 CO -0.07 0.80 -1.34 0.11 -1.14 0.00 0.00 176.83 175.19 1x90 h LYS 130 N 0.69 0.32 -0.59 3.45 1.57 -0.52 -2.62 116.57 118.87 1x90 h LYS 130 Ca 0.13 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1x90 h LYS 130 Cb 0.46 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1x90 h LYS 130 CO 0.02 1.25 0.31 1.15 -0.57 0.00 0.00 179.45 181.62 1x90 h THR 131 N 0.09 1.20 0.00 -0.16 2.02 -0.21 -1.43 112.91 114.42 1x90 h THR 131 Ca -0.18 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1x90 h THR 131 Cb 2.02 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1x90 h THR 131 CO 0.21 0.22 -0.36 0.40 0.37 0.00 0.00 175.52 176.36 1x90 h ILE 132 N 0.80 1.16 -0.29 3.11 2.04 -0.76 0.76 117.51 124.34 1x90 h ILE 132 Ca 0.21 -1.27 -0.16 0.00 1.00 0.00 0.00 64.86 64.64 1x90 h ILE 132 Cb 0.07 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1x90 h ILE 132 CO -0.03 0.35 -0.45 0.11 0.00 0.00 0.00 178.15 178.13 1x90 h LYS 133 N 0.00 0.75 -0.29 2.37 1.57 -0.98 -1.16 116.57 118.83 1x90 h LYS 133 Ca -0.00 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 1x90 h LYS 133 Cb 0.67 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1x90 h LYS 133 CO 0.05 1.04 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.98 1x90 h ASN 134 N 0.60 0.58 -0.30 0.86 -0.26 -0.58 -1.66 115.58 114.81 1x90 h ASN 134 Ca 0.04 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1x90 h ASN 134 Cb 1.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1x90 h ASN 134 CO 0.10 0.81 0.20 -0.07 -1.06 0.00 0.00 177.43 177.41 1x90 h LEU 135 N 0.33 0.35 -1.12 1.61 3.38 -0.78 -1.16 115.31 117.92 1x90 h LEU 135 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1x90 h LEU 135 Cb 0.57 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1x90 h LEU 135 CO 0.03 0.26 0.59 0.00 0.09 0.00 0.00 178.44 179.42 1x90 h GLY 137 N 1.17 0.15 0.86 0.00 0.00 -0.24 0.31 103.07 105.33 1x90 h GLY 137 Ca 0.35 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1x90 h GLY 137 CO -0.09 -0.20 -0.40 -2.22 0.00 0.00 0.00 176.54 173.63 1x90 h ILE 138 N -0.10 0.20 -0.90 2.60 2.04 -0.75 -2.31 117.51 118.29 1x90 h ILE 138 Ca 0.21 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.23 1x90 h ILE 138 Cb 0.42 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1x90 h ILE 138 CO -0.49 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.24 1x90 h ALA 139 N -0.74 1.94 -0.11 1.87 0.00 -0.89 0.11 119.26 121.44 1x90 h ALA 139 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x90 h ALA 139 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x90 h ALA 139 CO 0.10 -0.21 0.07 -0.07 0.00 0.00 0.00 179.25 179.14 1x90 h LEU 140 N 0.60 0.13 0.51 0.00 3.38 -0.11 -0.05 115.31 119.76 1x90 h LEU 140 Ca 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 1x90 h LEU 140 Cb 0.88 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1x90 h LEU 140 CO -0.21 0.11 -0.37 0.58 0.09 0.00 0.00 178.44 178.64 1x90 h VAL 141 N 0.14 0.25 -0.91 1.22 2.07 -0.30 -2.62 116.25 116.10 1x90 h VAL 141 Ca 0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.73 1x90 h VAL 141 Cb 0.00 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 29.92 1x90 h VAL 141 CO -0.01 0.00 0.50 0.40 0.02 0.00 0.00 177.57 178.48 1x90 h ILE 142 N -0.85 0.69 0.00 4.57 2.04 -1.08 0.20 117.51 123.09 1x90 h ILE 142 Ca -0.05 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1x90 h ILE 142 Cb 0.72 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1x90 h ILE 142 CO 0.02 0.12 -0.02 0.77 0.00 0.00 0.00 178.15 179.03 1x90 h SER 143 N 0.65 0.00 1.15 1.72 4.64 -0.64 -1.13 113.55 119.95 1x90 h SER 143 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1x90 h SER 143 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1x90 h SER 143 CO -0.39 0.02 -0.21 0.59 -0.87 0.00 0.00 176.83 175.98 1x90 n ASN 144 N -3.44 0.61 0.05 4.97 5.03 0.71 -3.32 115.26 119.87 1x90 n ASN 144 Ca -0.02 0.37 0.12 0.00 0.87 0.00 0.00 54.58 55.92 1x90 n ASN 144 Cb 0.13 -0.40 0.17 0.00 -1.02 0.00 0.00 39.78 38.65 1x90 n ASN 144 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1x90 n MET 145 N -2.02 0.24 -1.90 3.52 2.81 -0.43 -4.93 117.12 114.40 1x90 n MET 145 Ca 0.05 0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.60 1x90 n MET 145 Cb 0.41 -1.64 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1x90 n MET 145 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x90 s LEU 146 N -3.98 4.30 0.37 4.03 1.02 -1.21 -4.95 118.68 118.25 1x90 s LEU 146 Ca 0.07 2.90 -0.28 0.00 0.02 0.00 0.00 54.13 56.84 1x90 s LEU 146 Cb 0.14 -3.74 -0.11 0.00 0.02 0.00 0.00 46.19 42.51 1x90 s LEU 146 CO 0.73 -0.84 1.42 -2.84 0.02 0.00 0.00 176.35 174.83 1x90 s PRO 147 N -2.10 4.16 0.12 1.29 0.02 -1.26 -4.86 135.00 132.37 1x90 s PRO 147 Ca 0.54 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.97 1x90 s PRO 147 Cb -0.43 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 1x90 s PRO 147 CO 0.58 -0.44 0.08 1.03 -0.33 0.00 0.00 177.00 177.93 1x90 s ARG 148 N -2.02 0.91 0.00 5.54 0.52 -1.26 -4.76 118.95 117.87 1x90 s ARG 148 Ca 0.52 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1x90 s ARG 148 Cb -0.44 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.29 1x90 s ARG 148 CO 0.59 -0.26 0.21 0.09 0.02 0.00 0.00 175.30 175.94