#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 2.63 0.07 3.44 2.00 -1.26 -4.67 117.12 119.33 1x90 n MET 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1x90 n MET 4 Cb 0.00 -0.83 0.32 0.00 0.00 0.00 0.00 33.22 32.70 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 0.34 -0.81 7.83 0.02 -2.02 -0.07 113.55 118.84 1x90 h SER 5 Ca 0.00 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1x90 h SER 5 Cb 0.63 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.00 1x90 h SER 5 CO 0.00 0.51 0.42 0.74 -1.14 0.00 0.00 176.83 177.37 1x90 h THR 6 N 0.33 0.80 0.05 -2.27 2.02 -2.01 -1.52 112.91 110.31 1x90 h THR 6 Ca 0.06 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1x90 h THR 6 Cb 0.46 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1x90 h THR 6 CO 0.03 0.12 -0.03 0.40 0.37 0.00 0.00 175.52 176.41 1x90 h ILE 7 N 0.66 0.00 -1.00 3.11 2.04 -1.53 -3.38 117.51 117.42 1x90 h ILE 7 Ca 0.42 -0.13 0.34 0.00 1.00 0.00 0.00 64.86 66.49 1x90 h ILE 7 Cb 0.51 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.44 1x90 h ILE 7 CO -0.31 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.37 1x90 n ASP 9 N -5.13 0.52 0.03 0.00 8.00 -0.58 -1.56 116.55 117.84 1x90 n ASP 9 Ca 0.33 0.70 0.12 0.00 0.71 0.00 0.00 54.79 56.64 1x90 n ASP 9 Cb 1.05 -0.78 0.11 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.15 0.23 -2.28 -1.24 5.02 0.57 -4.94 118.16 113.37 1x90 n LYS 10 Ca -0.00 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 1x90 n LYS 10 Cb 0.09 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 4.40 -1.74 -0.18 2.01 -0.60 -4.92 115.64 111.46 1x90 s THR 11 Ca 0.06 1.12 0.20 0.00 0.31 0.00 0.00 61.69 63.38 1x90 s THR 11 Cb 0.15 -3.66 0.48 0.00 0.01 0.00 0.00 72.50 69.47 1x90 s THR 11 CO 0.76 -0.69 1.61 0.18 -0.69 0.00 0.00 174.62 175.78 1x90 n LEU 12 N -1.77 0.00 -2.96 4.42 4.32 -1.26 -3.76 117.00 115.99 1x90 n LEU 12 Ca 0.07 0.13 -0.12 0.00 -0.02 0.00 0.00 56.01 56.07 1x90 n LEU 12 Cb 0.54 -0.13 -0.02 0.00 -1.62 0.00 0.00 43.42 42.19 1x90 n LEU 12 CO 0.48 -0.05 -0.02 -3.20 -1.22 0.00 0.00 177.39 173.38 1x90 n ASN 13 N -1.13 -2.33 -0.28 -1.43 4.05 -1.26 -5.02 115.26 107.86 1x90 n ASN 13 Ca 0.13 -2.80 -0.06 0.00 0.45 0.00 0.00 54.58 52.29 1x90 n ASN 13 Cb 0.11 0.97 0.06 0.00 1.23 0.00 0.00 39.78 42.15 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 4.97 1.18 -0.18 1.20 0.11 -1.69 -2.40 132.00 135.19 1x90 h PRO 14 Ca 0.09 -0.23 0.04 0.00 0.11 0.00 0.00 66.00 66.01 1x90 h PRO 14 Cb 1.03 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 1x90 h PRO 14 CO 0.18 0.97 -0.06 0.66 -0.21 0.00 0.00 178.00 179.54 1x90 h SER 15 N 1.14 -0.22 0.45 -2.05 4.64 -1.94 0.10 113.55 115.68 1x90 h SER 15 Ca 0.26 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1x90 h SER 15 Cb 0.25 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1x90 h SER 15 CO -0.02 -0.08 -0.43 0.15 -0.87 0.00 0.00 176.83 175.58 1x90 h PHE 16 N -0.03 -1.18 -0.65 4.77 3.57 -1.95 -2.62 116.94 118.85 1x90 h PHE 16 Ca 0.09 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1x90 h PHE 16 Cb 0.17 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 1x90 h PHE 16 CO -0.22 -0.60 -0.43 0.00 -2.23 0.00 0.00 178.31 174.83 1x90 h LEU 18 N -0.06 -1.51 -0.70 0.00 3.38 -0.75 0.76 115.31 116.42 1x90 h LEU 18 Ca 0.10 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.42 1x90 h LEU 18 Cb 0.33 0.61 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1x90 h LEU 18 CO -0.64 -0.45 0.09 0.50 0.09 0.00 0.00 178.44 178.03 1x90 h LYS 19 N -0.51 0.18 0.49 1.13 3.11 -1.03 0.74 116.57 120.67 1x90 h LYS 19 Ca 0.07 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1x90 h LYS 19 Cb 0.65 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1x90 h LYS 19 CO -0.44 0.12 -0.23 0.35 -2.81 0.00 0.00 179.45 176.44 1x90 h PHE 20 N 0.18 -0.61 -0.01 1.91 3.57 0.16 0.20 116.94 122.35 1x90 h PHE 20 Ca 0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1x90 h PHE 20 Cb 0.66 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1x90 h PHE 20 CO -0.33 -0.28 0.00 -0.07 -2.23 0.00 0.00 178.31 175.40 1x90 h LEU 21 N -0.93 0.01 0.18 0.59 4.07 1.00 0.68 115.31 120.91 1x90 h LEU 21 Ca -0.07 -0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.58 1x90 h LEU 21 Cb 0.59 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.35 1x90 h LEU 21 CO 0.11 0.02 -1.46 0.78 -1.08 0.00 0.00 178.44 176.81 1x90 h ASN 22 N 0.02 0.59 0.75 -0.43 -0.26 0.55 -2.46 115.58 114.34 1x90 h ASN 22 Ca 0.00 -0.70 -0.04 0.00 -0.56 0.00 0.00 56.30 55.01 1x90 h ASN 22 Cb 0.01 -0.19 0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1x90 h ASN 22 CO 0.00 1.56 -0.36 0.74 -1.06 0.00 0.00 177.43 178.31 1x90 h THR 23 N 0.10 0.03 -0.86 2.81 2.02 -0.01 0.89 112.91 117.90 1x90 h THR 23 Ca -0.23 -0.26 0.13 0.00 0.77 0.00 0.00 66.41 66.82 1x90 h THR 23 Cb 2.07 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1x90 h THR 23 CO 0.22 0.00 0.56 0.11 0.37 0.00 0.00 175.52 176.78 1x90 h LYS 24 N -1.25 0.66 -0.14 6.66 1.79 -1.03 0.13 116.57 123.38 1x90 h LYS 24 Ca -0.10 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1x90 h LYS 24 Cb 0.77 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1x90 h LYS 24 CO 0.17 0.44 -0.07 0.35 -1.08 0.00 0.00 179.45 179.26 1x90 h PHE 25 N 0.68 0.35 0.81 -1.35 3.04 -1.35 -0.16 116.94 118.95 1x90 h PHE 25 Ca 0.42 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 1x90 h PHE 25 Cb 0.66 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1x90 h PHE 25 CO -0.00 0.63 -0.44 0.00 -2.02 0.00 0.00 178.31 176.47 1x90 h ALA 26 N 0.67 -1.18 -0.57 2.41 0.00 -0.10 -0.61 119.26 119.89 1x90 h ALA 26 Ca 0.03 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1x90 h ALA 26 Cb 0.53 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 1x90 h ALA 26 CO 0.02 -1.17 -0.23 0.66 0.00 0.00 0.00 179.25 178.52 1x90 h SER 27 N -1.16 -0.82 -0.88 0.00 4.64 -0.78 0.41 113.55 114.96 1x90 h SER 27 Ca -0.11 0.20 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 1x90 h SER 27 Cb 0.91 0.46 -0.07 0.00 -0.31 0.00 0.00 62.40 63.39 1x90 h SER 27 CO 0.14 -0.26 0.57 0.00 -0.87 0.00 0.00 176.83 176.42 1x90 h ALA 28 N 1.30 1.68 0.09 5.18 0.00 -0.82 0.23 119.26 126.90 1x90 h ALA 28 Ca 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x90 h ALA 28 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x90 h ALA 28 CO -0.63 0.13 -0.04 -0.97 0.00 0.00 0.00 179.25 177.74 1x90 h ASN 29 N 0.84 -0.10 -0.27 0.00 -0.73 0.13 -2.06 115.58 113.39 1x90 h ASN 29 Ca 0.42 -0.26 0.03 0.00 1.87 0.00 0.00 56.30 58.36 1x90 h ASN 29 Cb 0.47 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1x90 h ASN 29 CO -0.18 0.21 0.11 -0.07 -0.37 0.00 0.00 177.43 177.12 1x90 h LEU 30 N -0.41 0.14 -1.61 0.34 3.38 -0.25 -0.43 115.31 116.47 1x90 h LEU 30 Ca -0.01 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.25 1x90 h LEU 30 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1x90 h LEU 30 CO 0.02 0.11 0.69 -0.61 0.09 0.00 0.00 178.44 178.74 1x90 h GLN 31 N 0.24 0.25 0.09 1.13 -0.00 -0.46 -1.24 115.11 115.13 1x90 h GLN 31 Ca 0.12 -0.02 -0.28 0.00 -0.00 0.00 0.00 58.65 58.47 1x90 h GLN 31 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1x90 h GLN 31 CO -0.11 0.17 -1.41 0.00 0.00 0.00 0.00 178.83 177.48 1x90 h ALA 32 N 1.57 0.30 -0.14 3.38 0.00 -0.38 -3.02 119.26 120.98 1x90 h ALA 32 Ca 0.54 -1.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1x90 h ALA 32 Cb 1.62 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1x90 h ALA 32 CO -0.18 1.17 -0.54 -0.07 0.00 0.00 0.00 179.25 179.64 1x90 h LEU 33 N 0.05 0.44 0.36 0.00 3.38 -0.36 -2.23 115.31 116.94 1x90 h LEU 33 Ca -0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1x90 h LEU 33 Cb 1.97 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1x90 h LEU 33 CO 0.16 0.89 -0.17 0.00 0.09 0.00 0.00 178.44 179.40 1x90 h ALA 34 N 1.12 -0.48 -0.60 1.53 0.00 -1.37 -0.92 119.26 118.55 1x90 h ALA 34 Ca 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1x90 h ALA 34 Cb 1.04 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1x90 h ALA 34 CO 0.09 -0.67 -0.44 -0.22 0.00 0.00 0.00 179.25 178.01 1x90 h LYS 35 N -0.68 -0.21 -0.67 0.00 3.11 -1.42 0.22 116.57 116.91 1x90 h LYS 35 Ca -0.05 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 1x90 h LYS 35 Cb 0.48 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.73 1x90 h LYS 35 CO 0.08 -0.14 0.16 1.15 -2.81 0.00 0.00 179.45 177.89 1x90 h THR 36 N -0.22 1.26 -0.10 1.00 2.02 -1.35 -0.50 112.91 115.02 1x90 h THR 36 Ca 0.18 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1x90 h THR 36 Cb 0.56 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 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 1.01 1.24 -0.71 3.16 2.02 -0.39 -0.70 112.91 118.54 1x90 h THR 37 Ca 0.21 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1x90 h THR 37 Cb 0.36 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1x90 h THR 37 CO 0.00 0.21 0.41 -0.07 0.37 0.00 0.00 175.52 176.44 1x90 h LEU 38 N -0.09 0.87 0.15 2.58 3.38 -0.52 -1.26 115.31 120.42 1x90 h LEU 38 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x90 h LEU 38 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x90 h LEU 38 CO 0.00 0.70 -0.07 0.44 0.09 0.00 0.00 178.44 179.60 1x90 h ASP 39 N 0.97 -0.17 -0.57 -0.43 3.32 -0.92 0.53 116.42 119.14 1x90 h ASP 39 Ca 0.25 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.33 1x90 h ASP 39 Cb 0.01 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.51 1x90 h ASP 39 CO -0.04 -0.02 0.03 0.28 -1.72 0.00 0.00 179.24 177.77 1x90 h SER 40 N -0.31 -0.19 0.09 6.45 0.02 -0.98 0.18 113.55 118.81 1x90 h SER 40 Ca -0.02 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1x90 h SER 40 Cb 0.25 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1x90 h SER 40 CO 0.03 -0.07 -0.07 0.74 -1.14 0.00 0.00 176.83 176.32 1x90 h THR 41 N 0.15 0.83 -0.48 -2.27 2.02 -0.83 -1.39 112.91 110.94 1x90 h THR 41 Ca 0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 1x90 h THR 41 Cb 0.46 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1x90 h THR 41 CO -0.46 0.00 0.28 -0.61 0.37 0.00 0.00 175.52 175.10 1x90 h GLN 42 N -0.18 0.54 -0.27 6.66 5.75 0.10 -0.63 115.11 127.08 1x90 h GLN 42 Ca -0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1x90 h GLN 42 Cb 0.16 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1x90 h GLN 42 CO -0.01 0.36 0.09 0.00 -2.65 0.00 0.00 178.83 176.62 1x90 h ALA 43 N 1.22 0.31 -0.38 3.38 0.00 -0.50 0.49 119.26 123.78 1x90 h ALA 43 Ca 0.20 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1x90 h ALA 43 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x90 h ALA 43 CO -0.10 -0.32 -0.16 0.00 0.00 0.00 0.00 179.25 178.67 1x90 h ARG 44 N 0.21 0.70 -0.62 0.00 3.08 -0.98 -1.30 114.38 115.48 1x90 h ARG 44 Ca 0.12 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1x90 h ARG 44 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1x90 h ARG 44 CO -0.13 0.83 0.02 0.00 -1.07 0.00 0.00 179.97 179.62 1x90 h ALA 45 N 1.19 0.83 -0.47 0.04 0.00 -0.79 0.80 119.26 120.87 1x90 h ALA 45 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1x90 h ALA 45 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x90 h ALA 45 CO 0.04 0.65 0.16 1.15 0.00 0.00 0.00 179.25 181.26 1x90 h THR 46 N 0.98 1.22 -0.12 0.00 2.02 -0.66 0.22 112.91 116.56 1x90 h THR 46 Ca 0.18 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1x90 h THR 46 Cb 0.54 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1x90 h THR 46 CO 0.03 0.26 0.04 1.56 0.37 0.00 0.00 175.52 177.77 1x90 h GLN 47 N 0.62 0.19 -0.66 6.66 1.08 -0.95 -1.23 115.11 120.82 1x90 h GLN 47 Ca 0.15 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1x90 h GLN 47 Cb 0.24 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1x90 h GLN 47 CO -0.01 0.34 0.37 1.15 -0.95 0.00 0.00 178.83 179.74 1x90 h THR 48 N 0.01 1.19 0.19 -0.54 2.02 -0.72 -1.48 112.91 113.58 1x90 h THR 48 Ca 0.04 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1x90 h THR 48 Cb 0.23 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1x90 h THR 48 CO -0.00 0.21 -0.09 0.25 0.37 0.00 0.00 175.52 176.26 1x90 h LEU 49 N 0.91 -0.21 0.07 2.58 5.85 -0.16 -0.82 115.31 123.52 1x90 h LEU 49 Ca 0.24 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1x90 h LEU 49 Cb 0.00 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1x90 h LEU 49 CO -0.04 0.03 -0.19 0.07 -0.34 0.00 0.00 178.44 177.97 1x90 h LYS 50 N -0.46 -0.33 -0.95 1.25 2.10 -1.05 -1.16 116.57 115.97 1x90 h LYS 50 Ca -0.03 0.02 0.21 0.00 -2.00 0.00 0.00 60.65 58.85 1x90 h LYS 50 Cb 0.35 0.07 -0.11 0.00 -0.90 0.00 0.00 32.23 31.64 1x90 h LYS 50 CO 0.04 -0.22 0.51 -0.22 -2.00 0.00 0.00 179.45 177.57 1x90 h LYS 51 N -0.34 0.57 -0.03 0.07 3.64 -1.20 0.31 116.57 119.58 1x90 h LYS 51 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1x90 h LYS 51 Cb 0.38 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1x90 h LYS 51 CO -0.13 0.38 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.35 1x90 h LEU 52 N 0.59 0.05 -1.39 5.20 3.38 -0.65 0.65 115.31 123.13 1x90 h LEU 52 Ca 0.57 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1x90 h LEU 52 Cb 0.99 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1x90 h LEU 52 CO -0.44 0.38 0.53 1.56 0.09 0.00 0.00 178.44 180.56 1x90 h GLN 53 N -0.28 0.60 0.05 1.13 4.20 0.30 -0.09 115.11 121.01 1x90 h GLN 53 Ca 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x90 h GLN 53 Cb 0.36 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1x90 h GLN 53 CO 0.00 0.40 -0.02 0.77 -0.67 0.00 0.00 178.83 179.31 1x90 h SER 54 N 0.62 -0.05 -0.62 1.46 0.02 -0.24 -1.91 113.55 112.82 1x90 h SER 54 Ca 0.40 -0.48 0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1x90 h SER 54 Cb 0.67 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 1x90 h SER 54 CO -0.16 0.47 0.12 0.40 -1.14 0.00 0.00 176.83 176.52 1x90 h ILE 55 N -0.60 0.61 -0.59 3.27 2.04 -0.16 0.34 117.51 122.42 1x90 h ILE 55 Ca -0.01 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1x90 h ILE 55 Cb 0.53 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1x90 h ILE 55 CO 0.01 0.04 0.38 0.40 0.00 0.00 0.00 178.15 178.99 1x90 h ILE 56 N 0.24 1.13 0.35 -0.67 2.04 -1.06 -2.78 117.51 116.76 1x90 h ILE 56 Ca 0.33 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1x90 h ILE 56 Cb 0.51 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1x90 h ILE 56 CO -0.43 0.14 -0.31 0.44 0.00 0.00 0.00 178.15 177.99 1x90 h ASP 57 N 0.78 -0.82 0.00 1.72 3.45 0.31 -2.03 116.42 119.82 1x90 h ASP 57 Ca 0.22 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1x90 h ASP 57 Cb -0.06 0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1x90 h ASP 57 CO -0.06 -0.45 0.14 0.61 -1.57 0.00 0.00 179.24 177.91 1x90 n GLY 58 N -1.43 -0.51 0.00 2.75 0.00 0.83 -4.91 105.19 101.93 1x90 n GLY 58 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.34 -1.42 3.62 -0.02 0.00 -0.77 -5.09 105.19 100.16 1x90 n GLY 59 Ca -0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.24 0.01 0.80 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 58.85 1x90 s VAL 60 Cb 0.00 -2.01 0.08 0.00 0.56 0.00 0.00 36.38 35.01 1x90 s VAL 60 CO 0.00 -0.04 1.20 1.51 -0.31 0.00 0.00 175.10 177.45 1x90 s ASP 61 N -2.96 3.66 0.33 4.85 -4.77 -1.26 -4.62 116.67 111.89 1x90 s ASP 61 Ca 0.17 2.33 0.09 0.00 -3.30 0.00 0.00 52.55 51.83 1x90 s ASP 61 Cb -0.02 -2.58 0.83 0.00 -1.09 0.00 0.00 42.92 40.06 1x90 s ASP 61 CO 0.06 -2.62 1.78 -0.65 0.70 0.00 0.00 175.17 174.44 1x90 h PRO 62 N -0.90 0.66 0.87 2.11 0.11 -2.01 0.16 132.00 132.99 1x90 h PRO 62 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1x90 h PRO 62 Cb 1.29 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1x90 h PRO 62 CO 0.46 0.43 -0.42 -0.09 -0.21 0.00 0.00 178.00 178.18 1x90 h ARG 63 N 0.68 -1.13 -0.64 1.05 9.65 -2.00 -1.91 114.38 120.07 1x90 h ARG 63 Ca 0.57 0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 59.49 1x90 h ARG 63 Cb 1.01 0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.82 1x90 h ARG 63 CO -0.35 -0.75 0.24 0.77 2.80 0.00 0.00 179.97 182.68 1x90 h SER 64 N -1.26 0.88 -0.19 -3.80 0.02 -1.77 -2.71 113.55 104.71 1x90 h SER 64 Ca -0.12 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1x90 h SER 64 Cb 0.91 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1x90 h SER 64 CO 0.20 0.80 -0.08 0.50 -1.14 0.00 0.00 176.83 177.10 1x90 h LYS 65 N 0.93 -0.05 -0.20 3.45 3.64 -0.66 0.30 116.57 123.97 1x90 h LYS 65 Ca 0.22 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1x90 h LYS 65 Cb 0.21 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1x90 h LYS 65 CO -0.02 -0.04 -0.15 1.25 -2.27 0.00 0.00 179.45 178.22 1x90 h LEU 66 N -0.06 -0.50 -0.41 5.20 5.85 -1.04 0.24 115.31 124.60 1x90 h LEU 66 Ca 0.10 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1x90 h LEU 66 Cb 0.21 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1x90 h LEU 66 CO -0.23 -0.20 0.14 0.00 -0.34 0.00 0.00 178.44 177.81 1x90 h ALA 67 N 0.97 0.54 0.00 1.25 0.00 -1.19 -1.00 119.26 119.82 1x90 h ALA 67 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1x90 h ALA 67 Cb 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x90 h ALA 67 CO -0.30 0.17 -0.12 1.88 0.00 0.00 0.00 179.25 180.88 1x90 h TYR 68 N 0.53 0.00 0.03 0.00 0.99 -0.66 -0.43 116.97 117.42 1x90 h TYR 68 Ca 0.14 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.62 1x90 h TYR 68 Cb 0.24 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.97 1x90 h TYR 68 CO 0.01 0.12 -1.02 0.00 -0.00 0.00 0.00 178.16 177.27 1x90 h ARG 69 N 0.00 0.43 -0.52 4.88 3.08 0.21 -2.33 114.38 120.13 1x90 h ARG 69 Ca -0.00 -0.51 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 1x90 h ARG 69 Cb 0.35 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1x90 h ARG 69 CO 0.02 1.16 -0.09 0.77 -1.07 0.00 0.00 179.97 180.76 1x90 h SER 70 N 0.22 0.96 -0.71 7.04 0.02 -0.37 -2.70 113.55 118.02 1x90 h SER 70 Ca -0.10 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1x90 h SER 70 Cb 1.68 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.93 1x90 h SER 70 CO 0.18 1.07 0.24 0.00 -1.14 0.00 0.00 176.83 177.18 1x90 h VAL 72 N 1.03 1.05 0.00 0.00 2.07 -1.23 0.63 116.25 119.80 1x90 h VAL 72 Ca 0.23 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1x90 h VAL 72 Cb 0.28 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1x90 h VAL 72 CO -0.01 0.12 -0.32 0.44 0.02 0.00 0.00 177.57 177.81 1x90 h ASP 73 N 0.65 0.00 -0.16 0.57 3.32 -1.24 -0.93 116.42 118.63 1x90 h ASP 73 Ca 0.22 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 1x90 h ASP 73 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1x90 h ASP 73 CO -0.10 0.32 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.85 1x90 h GLU 74 N 0.00 0.67 -0.04 3.56 4.39 -0.30 -2.72 114.58 120.14 1x90 h GLU 74 Ca -0.00 -0.50 -0.17 0.00 0.34 0.00 0.00 59.36 59.03 1x90 h GLU 74 Cb 0.68 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1x90 h GLU 74 CO 0.04 1.12 -0.71 1.88 -1.16 0.00 0.00 179.01 180.19 1x90 h TYR 75 N 0.35 0.32 -0.48 4.33 0.05 -0.64 0.21 116.97 121.11 1x90 h TYR 75 Ca -0.02 -0.14 -0.11 0.00 0.05 0.00 0.00 58.73 58.51 1x90 h TYR 75 Cb 1.19 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 1x90 h TYR 75 CO 0.10 0.86 -0.12 0.93 -1.05 0.00 0.00 178.16 178.88 1x90 h GLU 76 N 0.16 0.93 -0.03 4.88 5.08 -1.25 0.16 114.58 124.51 1x90 h GLU 76 Ca -0.02 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1x90 h GLU 76 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1x90 h GLU 76 CO 0.11 1.01 -0.39 1.03 -1.00 0.00 0.00 179.01 179.77 1x90 h SER 77 N 0.78 0.07 0.00 1.42 0.87 -1.33 -2.37 113.55 112.98 1x90 h SER 77 Ca 0.12 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 1x90 h SER 77 Cb 0.67 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1x90 h SER 77 CO 0.05 0.45 -0.48 0.00 -0.53 0.00 0.00 176.83 176.32 1x90 h ALA 78 N 1.55 0.05 -0.98 6.23 0.00 -0.13 -2.83 119.26 123.16 1x90 h ALA 78 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1x90 h ALA 78 Cb 0.72 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1x90 h ALA 78 CO 0.05 0.25 0.64 0.82 0.00 0.00 0.00 179.25 181.02 1x90 h ILE 79 N -0.27 1.13 0.15 0.00 2.04 -0.63 0.83 117.51 120.77 1x90 h ILE 79 Ca -0.06 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1x90 h ILE 79 Cb 1.22 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1x90 h ILE 79 CO 0.09 0.22 -0.07 1.23 0.00 0.00 0.00 178.15 179.62 1x90 h GLY 80 N 1.20 -0.21 1.10 5.37 0.00 -1.46 -2.64 103.07 106.42 1x90 h GLY 80 Ca 0.41 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.87 1x90 h GLY 80 CO -0.14 -0.08 0.47 3.43 0.00 0.00 0.00 176.54 180.22 1x90 h ASN 81 N -0.31 0.68 -0.25 0.19 2.35 -1.19 0.08 115.58 117.12 1x90 h ASN 81 Ca -0.02 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 1x90 h ASN 81 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1x90 h ASN 81 CO 0.03 0.45 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.87 1x90 h LEU 82 N 0.77 0.80 -0.19 1.61 3.38 -0.77 0.21 115.31 121.12 1x90 h LEU 82 Ca 0.30 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1x90 h LEU 82 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x90 h LEU 82 CO -0.09 1.05 -0.30 -0.08 0.09 0.00 0.00 178.44 179.11 1x90 h GLU 83 N 0.64 0.53 -0.34 1.13 4.22 -1.04 -1.82 114.58 117.90 1x90 h GLU 83 Ca 0.07 -0.32 0.03 0.00 0.08 0.00 0.00 59.36 59.22 1x90 h GLU 83 Cb 0.85 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1x90 h GLU 83 CO 0.07 0.93 0.13 0.93 -2.18 0.00 0.00 179.01 178.89 1x90 h GLU 84 N 0.19 0.28 -0.74 1.92 5.08 -0.92 -0.85 114.58 119.54 1x90 h GLU 84 Ca 0.02 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1x90 h GLU 84 Cb 0.88 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1x90 h GLU 84 CO 0.07 0.18 0.49 0.00 -1.00 0.00 0.00 179.01 178.75 1x90 h ALA 85 N 1.21 2.08 -0.44 3.43 0.00 -0.84 0.15 119.26 124.86 1x90 h ALA 85 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1x90 h ALA 85 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1x90 h ALA 85 CO -0.14 -0.28 -0.18 0.35 0.00 0.00 0.00 179.25 179.00 1x90 h PHE 86 N 0.43 0.95 -0.60 0.00 3.57 -0.30 -0.73 116.94 120.25 1x90 h PHE 86 Ca 0.36 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1x90 h PHE 86 Cb 0.79 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1x90 h PHE 86 CO -0.00 0.95 0.07 0.93 -2.23 0.00 0.00 178.31 178.03 1x90 h GLU 87 N 0.74 1.00 -0.33 1.11 5.08 0.11 -1.58 114.58 120.73 1x90 h GLU 87 Ca 0.11 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1x90 h GLU 87 Cb 0.70 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1x90 h GLU 87 CO 0.05 0.95 -0.36 0.45 -1.00 0.00 0.00 179.01 179.10 1x90 h HIS 88 N 0.94 0.88 -0.96 4.33 3.86 -1.08 0.32 115.15 123.45 1x90 h HIS 88 Ca 0.18 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1x90 h HIS 88 Cb 0.45 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1x90 h HIS 88 CO 0.03 1.00 0.63 1.25 0.86 0.00 0.00 177.93 181.70 1x90 h LEU 89 N 0.62 1.06 -0.31 2.43 5.85 -0.92 1.22 115.31 125.27 1x90 h LEU 89 Ca 0.06 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1x90 h LEU 89 Cb 0.90 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1x90 h LEU 89 CO 0.08 0.74 -0.10 0.00 -0.34 0.00 0.00 178.44 178.83 1x90 h ALA 90 N 1.43 0.43 0.00 1.25 0.00 -0.67 -1.87 119.26 119.83 1x90 h ALA 90 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x90 h ALA 90 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1x90 h ALA 90 CO -0.10 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1x90 n SER 91 N -4.44 0.00 -0.78 0.00 3.41 0.05 -4.83 113.62 107.02 1x90 n SER 91 Ca -0.03 -1.02 -0.09 0.00 -0.26 0.00 0.00 58.87 57.47 1x90 n SER 91 Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.80 0.72 2.79 5.00 0.00 -0.10 -4.94 105.19 109.45 1x90 n GLY 92 Ca 0.20 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 0.50 6.23 -4.69 1.61 2.03 0.40 -4.75 116.55 117.88 1x90 n ASP 93 Ca -0.09 -3.24 -0.42 0.00 0.52 0.00 0.00 54.79 51.56 1x90 n ASP 93 Cb 0.38 -1.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 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 1.74 0.00 0.27 0.00 -1.26 -1.36 107.32 106.65 1x90 s GLY 94 Ca 0.41 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1x90 s GLY 94 CO -0.00 2.64 0.00 -0.13 0.00 0.00 0.00 173.10 175.61 1x90 n MET 95 N 5.18 0.00 -0.13 2.90 0.00 -1.26 -4.73 117.12 119.08 1x90 n MET 95 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.71 1x90 n MET 95 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.63 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 1.05 0.92 -5.12 0.00 -1.86 0.33 103.07 98.39 1x90 h GLY 96 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 47.33 46.31 1x90 h GLY 96 CO 0.00 0.93 0.11 1.98 0.00 0.00 0.00 176.54 179.56 1x90 h MET 97 N 0.80 0.23 -0.32 4.80 -1.53 -1.49 0.12 114.93 117.53 1x90 h MET 97 Ca 0.08 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.36 1x90 h MET 97 Cb 0.93 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.89 1x90 h MET 97 CO 0.09 0.15 0.12 -0.97 0.14 0.00 0.00 176.91 176.44 1x90 h ASN 98 N 0.24 0.14 -0.08 1.39 -0.73 -1.70 0.14 115.58 114.99 1x90 h ASN 98 Ca 0.09 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.33 1x90 h ASN 98 Cb 0.01 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.57 1x90 h ASN 98 CO -0.06 0.12 -0.24 -0.03 -0.37 0.00 0.00 177.43 176.86 1x90 h MET 99 N 0.27 -0.32 -0.92 6.67 4.05 0.10 0.30 114.93 125.07 1x90 h MET 99 Ca 0.14 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1x90 h MET 99 Cb 0.11 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1x90 h MET 99 CO -0.14 -0.21 0.57 0.87 0.23 0.00 0.00 176.91 178.23 1x90 h LYS 100 N -0.33 1.25 -0.49 0.39 6.56 -0.28 -1.54 116.57 122.13 1x90 h LYS 100 Ca 0.08 -0.11 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 1x90 h LYS 100 Cb 0.45 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1x90 h LYS 100 CO -0.27 0.87 0.02 0.28 -2.06 0.00 0.00 179.45 178.29 1x90 h VAL 101 N 1.27 1.26 0.30 0.50 2.07 -0.17 -2.18 116.25 119.30 1x90 h VAL 101 Ca 0.33 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1x90 h VAL 101 Cb -0.07 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x90 h VAL 101 CO -0.06 0.36 -0.31 0.28 0.02 0.00 0.00 177.57 177.86 1x90 h SER 102 N 0.71 -0.86 -0.88 0.57 0.02 0.14 -0.35 113.55 112.91 1x90 h SER 102 Ca 0.14 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1x90 h SER 102 Cb 0.49 0.28 -0.14 0.00 0.14 0.00 0.00 62.40 63.17 1x90 h SER 102 CO 0.02 -0.41 -0.35 0.00 -1.14 0.00 0.00 176.83 174.95 1x90 n ALA 103 N -2.60 -0.14 -0.05 3.77 0.00 -0.63 0.93 120.51 121.79 1x90 n ALA 103 Ca -0.07 0.86 -0.08 0.00 0.00 0.00 0.00 53.44 54.15 1x90 n ALA 103 Cb 0.28 -0.37 -0.02 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 1.15 0.14 -0.74 0.00 0.00 -1.08 -1.89 119.26 116.84 1x90 h ALA 104 Ca 0.29 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.41 1x90 h ALA 104 Cb 0.51 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1x90 h ALA 104 CO -0.87 -0.49 0.35 1.25 0.00 0.00 0.00 179.25 179.50 1x90 h LEU 105 N -0.02 0.41 -1.61 0.00 6.46 0.23 0.86 115.31 121.65 1x90 h LEU 105 Ca 0.12 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1x90 h LEU 105 Cb 0.20 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1x90 h LEU 105 CO -0.25 0.21 0.03 0.44 -0.62 0.00 0.00 178.44 178.24 1x90 h ASP 106 N 0.56 0.25 -0.26 1.25 3.45 0.00 0.09 116.42 121.76 1x90 h ASP 106 Ca 0.38 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.78 1x90 h ASP 106 Cb 0.48 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1x90 h ASP 106 CO -0.32 0.28 0.02 1.23 -1.57 0.00 0.00 179.24 178.88 1x90 h GLY 107 N 0.50 0.48 0.98 2.75 0.00 -0.10 0.42 103.07 108.09 1x90 h GLY 107 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1x90 h GLY 107 CO -0.00 0.31 0.27 0.00 0.00 0.00 0.00 176.54 177.12 1x90 h ALA 108 N 0.83 0.64 -0.40 3.60 0.00 -0.87 0.77 119.26 123.84 1x90 h ALA 108 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1x90 h ALA 108 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1x90 h ALA 108 CO 0.01 0.17 0.11 0.22 0.00 0.00 0.00 179.25 179.76 1x90 h ASP 109 N 0.66 0.59 -0.45 0.00 -0.00 -0.88 0.25 116.42 116.61 1x90 h ASP 109 Ca 0.18 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.03 56.94 1x90 h ASP 109 Cb 0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.21 1x90 h ASP 109 CO -0.03 0.65 0.12 0.74 -0.00 0.00 0.00 179.24 180.73 1x90 h THR 110 N 0.50 1.22 0.63 2.25 2.02 -0.67 0.24 112.91 119.10 1x90 h THR 110 Ca 0.13 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1x90 h THR 110 Cb 0.28 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1x90 h THR 110 CO -0.00 0.29 -0.30 0.00 0.37 0.00 0.00 175.52 175.87 1x90 n LEU 112 N -5.38 -0.21 0.10 0.00 4.77 0.05 0.73 117.00 117.07 1x90 n LEU 112 Ca -0.12 1.56 -0.05 0.00 -0.03 0.00 0.00 56.01 57.38 1x90 n LEU 112 Cb 0.36 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1x90 n LEU 112 CO 0.32 -1.54 0.38 -0.78 -1.33 0.00 0.00 177.39 174.44 1x90 h ASP 113 N 0.00 0.11 0.82 -1.43 1.82 -0.69 0.36 116.42 117.41 1x90 h ASP 113 Ca 0.50 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 57.04 1x90 h ASP 113 Cb 0.91 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.89 1x90 h ASP 113 CO -0.90 0.80 -0.10 0.44 -1.61 0.00 0.00 179.24 177.88 1x90 h ASP 114 N 0.06 0.00 0.00 2.28 3.32 0.37 -3.36 116.42 119.09 1x90 h ASP 114 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1x90 h ASP 114 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1x90 h ASP 114 CO 0.10 0.10 -0.82 0.55 -1.72 0.00 0.00 179.24 177.44 1x90 n VAL 115 N -3.28 0.00 0.31 -1.35 3.14 -0.18 -4.69 118.33 112.29 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 0.32 0.51 1.01 0.00 -1.06 0.00 0.00 33.84 34.62 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 -0.42 -1.60 116.57 118.09 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 0.01 -0.16 -2.13 -2.00 0.00 0.00 179.45 175.17 1x90 n ARG 117 N -3.52 0.04 -2.04 0.07 3.00 -1.26 -4.91 116.66 108.03 1x90 n ARG 117 Ca -0.03 0.02 -0.35 0.00 -0.00 0.00 0.00 57.85 57.49 1x90 n ARG 117 Cb 0.10 -1.53 0.03 0.00 0.00 0.00 0.00 32.46 31.05 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 -3.19 3.64 0.00 6.15 1.43 -0.60 -4.97 118.68 121.14 1x90 s LEU 118 Ca 0.13 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1x90 s LEU 118 Cb 0.18 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1x90 s LEU 118 CO 0.59 -1.50 0.72 -1.14 0.23 0.00 0.00 176.35 175.26 1x90 n ARG 119 N -1.64 0.00 -3.80 1.70 3.00 -1.26 -4.13 116.66 110.53 1x90 n ARG 119 Ca 0.12 0.39 -0.32 0.00 -0.00 0.00 0.00 57.85 58.05 1x90 n ARG 119 Cb 0.50 -1.22 -0.10 0.00 0.00 0.00 0.00 32.46 31.64 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 -2.33 5.22 0.95 6.15 0.01 -1.26 -5.08 113.70 117.36 1x90 s SER 120 Ca 0.00 -3.67 -0.12 0.00 1.31 0.00 0.00 55.95 53.47 1x90 s SER 120 Cb 0.00 -1.75 0.16 0.00 0.21 0.00 0.00 66.02 64.64 1x90 s SER 120 CO 0.00 -0.15 1.09 -0.69 0.41 0.00 0.00 173.24 173.90 1x90 s VAL 121 N -1.23 2.39 -0.27 3.43 1.01 -1.26 -4.98 120.40 119.50 1x90 s VAL 121 Ca 0.25 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 1x90 s VAL 121 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1x90 s VAL 121 CO -0.13 -0.16 0.93 -0.62 0.00 0.00 0.00 175.10 175.11 1x90 s ASP 122 N -3.40 6.88 0.13 3.32 -1.08 -1.26 -4.94 116.67 116.33 1x90 s ASP 122 Ca 0.64 1.04 -0.32 0.00 -0.52 0.00 0.00 52.55 53.39 1x90 s ASP 122 Cb -0.18 -2.48 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 1x90 s ASP 122 CO 0.57 -0.66 1.55 0.28 0.52 0.00 0.00 175.17 177.44 1x90 h SER 123 N 7.81 -1.79 -0.91 -0.34 0.02 -2.00 -2.44 113.55 113.91 1x90 h SER 123 Ca -0.22 0.24 0.14 0.00 -0.84 0.00 0.00 61.79 61.11 1x90 h SER 123 Cb 1.08 0.74 -0.15 0.00 0.14 0.00 0.00 62.40 64.21 1x90 h SER 123 CO 0.94 -0.41 -0.41 -1.28 -1.14 0.00 0.00 176.83 174.53 1x90 h SER 124 N -0.40 -1.49 -0.56 3.07 0.87 -1.99 0.18 113.55 113.23 1x90 h SER 124 Ca 0.08 0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.99 1x90 h SER 124 Cb 0.60 0.75 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1x90 h SER 124 CO -0.58 -0.29 0.29 0.58 -0.53 0.00 0.00 176.83 176.30 1x90 h VAL 125 N -0.04 0.96 0.05 2.23 2.07 -1.84 -1.07 116.25 118.61 1x90 h VAL 125 Ca 0.30 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1x90 h VAL 125 Cb 0.57 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1x90 h VAL 125 CO -0.92 0.10 -0.02 0.58 0.02 0.00 0.00 177.57 177.33 1x90 h VAL 126 N 0.56 0.97 -0.01 2.57 2.07 -0.34 -1.18 116.25 120.90 1x90 h VAL 126 Ca 0.25 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1x90 h VAL 126 Cb 0.15 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1x90 h VAL 126 CO -0.17 0.01 0.00 0.78 0.02 0.00 0.00 177.57 178.22 1x90 h ASN 127 N -0.09 0.01 -0.79 0.57 2.35 -0.63 -1.89 115.58 115.10 1x90 h ASN 127 Ca -0.01 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.54 1x90 h ASN 127 Cb 0.08 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1x90 h ASN 127 CO 0.01 0.25 0.52 0.78 -1.65 0.00 0.00 177.43 177.34 1x90 h ASN 128 N -0.23 0.83 -0.33 5.81 2.35 -1.24 0.29 115.58 123.05 1x90 h ASN 128 Ca 0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1x90 h ASN 128 Cb 0.24 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1x90 h ASN 128 CO 0.00 0.56 0.05 0.28 -1.65 0.00 0.00 177.43 176.67 1x90 h SER 129 N 0.96 0.60 0.53 5.81 0.02 -0.92 0.19 113.55 120.74 1x90 h SER 129 Ca 0.32 -0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.87 1x90 h SER 129 Cb 0.07 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1x90 h SER 129 CO -0.10 0.65 -1.39 0.11 -1.14 0.00 0.00 176.83 174.95 1x90 h LYS 130 N 0.62 0.27 -0.53 3.45 1.57 -0.45 -2.75 116.57 118.75 1x90 h LYS 130 Ca 0.13 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1x90 h LYS 130 Cb 0.32 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1x90 h LYS 130 CO 0.01 1.17 0.23 1.15 -0.57 0.00 0.00 179.45 181.44 1x90 h THR 131 N 0.07 1.21 -0.03 -0.16 2.02 -0.29 -1.40 112.91 114.34 1x90 h THR 131 Ca -0.19 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 1x90 h THR 131 Cb 2.00 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1x90 h THR 131 CO 0.18 0.24 -0.35 0.40 0.37 0.00 0.00 175.52 176.37 1x90 h ILE 132 N 0.71 1.26 -0.44 3.11 2.04 -0.70 0.34 117.51 123.84 1x90 h ILE 132 Ca 0.18 -1.24 -0.14 0.00 1.00 0.00 0.00 64.86 64.66 1x90 h ILE 132 Cb 0.16 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1x90 h ILE 132 CO -0.02 0.36 -0.27 0.11 0.00 0.00 0.00 178.15 178.33 1x90 h LYS 133 N 0.05 0.95 -0.35 2.37 1.57 -1.09 -0.85 116.57 119.22 1x90 h LYS 133 Ca 0.00 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 1x90 h LYS 133 Cb 0.64 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1x90 h LYS 133 CO 0.05 1.10 -0.01 -0.91 -0.57 0.00 0.00 179.45 179.11 1x90 h ASN 134 N 0.81 0.62 -0.28 0.86 -0.26 -0.66 -1.57 115.58 115.09 1x90 h ASN 134 Ca 0.09 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 1x90 h ASN 134 Cb 0.85 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 1x90 h ASN 134 CO 0.07 0.78 0.15 -0.07 -1.06 0.00 0.00 177.43 177.31 1x90 h LEU 135 N 0.44 0.35 -1.16 1.61 3.38 -0.84 -1.27 115.31 117.82 1x90 h LEU 135 Ca 0.10 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1x90 h LEU 135 Cb 0.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1x90 h LEU 135 CO 0.02 0.35 0.57 0.00 0.09 0.00 0.00 178.44 179.47 1x90 h GLY 137 N 1.07 -0.03 0.75 0.00 0.00 -0.20 0.32 103.07 104.99 1x90 h GLY 137 Ca 0.35 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 1x90 h GLY 137 CO -0.11 -0.20 -0.38 -2.22 0.00 0.00 0.00 176.54 173.62 1x90 h ILE 138 N -0.18 0.22 -0.91 2.60 2.04 -0.81 -2.21 117.51 118.26 1x90 h ILE 138 Ca 0.18 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.19 1x90 h ILE 138 Cb 0.46 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1x90 h ILE 138 CO -0.48 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.25 1x90 h ALA 139 N -0.55 1.79 -0.10 1.87 0.00 -0.86 0.75 119.26 122.15 1x90 h ALA 139 Ca -0.06 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x90 h ALA 139 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1x90 h ALA 139 CO 0.02 -0.04 0.04 -0.07 0.00 0.00 0.00 179.25 179.20 1x90 h LEU 140 N 0.73 0.04 0.59 0.00 3.38 -0.05 0.09 115.31 120.09 1x90 h LEU 140 Ca 0.46 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1x90 h LEU 140 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1x90 h LEU 140 CO -0.22 0.04 -0.44 0.58 0.09 0.00 0.00 178.44 178.49 1x90 h VAL 141 N 0.09 0.13 -0.96 1.22 2.07 -0.30 -2.60 116.25 115.89 1x90 h VAL 141 Ca 0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.77 1x90 h VAL 141 Cb 0.02 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 29.80 1x90 h VAL 141 CO -0.04 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.49 1x90 h ILE 142 N -0.99 0.62 0.00 4.57 2.04 -1.07 0.27 117.51 122.94 1x90 h ILE 142 Ca -0.07 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1x90 h ILE 142 Cb 0.83 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1x90 h ILE 142 CO 0.02 0.11 -0.04 0.77 0.00 0.00 0.00 178.15 179.02 1x90 h SER 143 N 0.63 0.00 1.09 1.72 4.64 -0.60 -1.42 113.55 119.61 1x90 h SER 143 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1x90 h SER 143 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1x90 h SER 143 CO -0.43 0.04 -0.17 0.59 -0.87 0.00 0.00 176.83 175.99 1x90 n ASN 144 N -3.56 0.48 0.04 4.97 5.03 0.95 -3.27 115.26 119.90 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 0.14 -0.41 0.15 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 -1.89 0.23 -1.91 3.52 2.81 -0.54 -4.93 117.12 114.42 1x90 n MET 145 Ca 0.06 0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.59 1x90 n MET 145 Cb 0.39 -1.63 -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 -3.92 4.28 0.39 4.03 1.02 -1.20 -4.95 118.68 118.33 1x90 s LEU 146 Ca 0.07 2.88 -0.27 0.00 0.02 0.00 0.00 54.13 56.82 1x90 s LEU 146 Cb 0.14 -3.76 -0.10 0.00 0.02 0.00 0.00 46.19 42.50 1x90 s LEU 146 CO 0.74 -0.86 1.41 -2.84 0.02 0.00 0.00 176.35 174.82 1x90 s PRO 147 N -2.13 4.03 0.13 1.29 0.02 -1.26 -4.86 135.00 132.21 1x90 s PRO 147 Ca 0.54 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 63.94 1x90 s PRO 147 Cb -0.43 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 1x90 s PRO 147 CO 0.57 -0.53 0.10 1.03 -0.33 0.00 0.00 177.00 177.84 1x90 s ARG 148 N -2.15 0.94 0.00 5.54 0.52 -1.26 -4.76 118.95 117.78 1x90 s ARG 148 Ca 0.55 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1x90 s ARG 148 Cb -0.43 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1x90 s ARG 148 CO 0.58 -0.28 0.20 0.09 0.02 0.00 0.00 175.30 175.91