#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x91 s SER 2 N 0.00 4.10 0.19 6.43 1.04 -1.26 -4.93 113.70 119.27 1x91 s SER 2 Ca 0.00 2.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 1x91 s SER 2 Cb 0.00 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.63 1x91 s SER 2 CO 0.00 -2.33 1.86 -0.33 0.98 0.00 0.00 173.24 173.41 1x91 h GLU 3 N -0.31 0.84 -0.97 4.02 4.39 -2.00 -2.70 114.58 117.85 1x91 h GLU 3 Ca -0.48 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.32 1x91 h GLU 3 Cb 1.30 -0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.68 1x91 h GLU 3 CO 0.49 0.56 0.61 1.98 -1.16 0.00 0.00 179.01 181.50 1x91 h MET 4 N 0.86 0.82 0.00 2.33 4.05 -1.90 -1.49 114.93 119.59 1x91 h MET 4 Ca 0.23 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1x91 h MET 4 Cb -0.09 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.52 1x91 h MET 4 CO -0.05 0.54 0.00 0.66 0.23 0.00 0.00 176.91 178.29 1x91 h SER 5 N 0.84 0.00 0.00 1.39 4.64 -1.85 -3.06 113.55 115.51 1x91 h SER 5 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1x91 h SER 5 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1x91 h SER 5 CO -0.28 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.03 1x91 n THR 6 N -2.80 0.29 0.31 2.95 -2.24 -0.86 -4.90 114.28 107.04 1x91 n THR 6 Ca -0.01 -0.45 0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1x91 n THR 6 Cb 0.15 1.06 1.09 0.00 -2.10 0.00 0.00 70.33 70.53 1x91 n THR 6 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1x91 h ILE 7 N 0.75 0.00 0.00 2.28 2.10 -1.18 -2.92 117.51 118.54 1x91 h ILE 7 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1x91 h ILE 7 Cb 0.43 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1x91 h ILE 7 CO 0.00 0.00 -0.06 0.00 -1.08 0.00 0.00 178.15 177.01 1x91 n ASP 9 N -3.30 0.00 -1.28 0.00 5.68 -1.10 -2.29 116.55 114.25 1x91 n ASP 9 Ca -0.01 0.49 0.09 0.00 -0.50 0.00 0.00 54.79 54.86 1x91 n ASP 9 Cb 0.25 -0.49 0.30 0.00 -1.14 0.00 0.00 41.12 40.04 1x91 n ASP 9 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1x91 n LYS 10 N -1.49 3.25 -4.29 0.11 5.02 -0.95 -4.98 118.16 114.83 1x91 n LYS 10 Ca 0.02 -2.67 -0.24 0.00 -2.02 0.00 0.00 58.31 53.40 1x91 n LYS 10 Cb 0.09 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.33 1x91 n LYS 10 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x91 s THR 11 N -1.55 2.93 0.07 -0.18 -4.23 -0.97 -4.99 115.64 106.71 1x91 s THR 11 Ca 0.44 -1.94 0.17 0.00 -1.18 0.00 0.00 61.69 59.18 1x91 s THR 11 Cb 0.27 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 71.40 1x91 s THR 11 CO 0.24 -0.27 1.62 -0.07 -0.54 0.00 0.00 174.62 175.60 1x91 h LEU 12 N 1.82 0.00 -6.86 4.79 4.07 -1.94 -3.35 115.31 113.84 1x91 h LEU 12 Ca -0.43 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.92 1x91 h LEU 12 Cb 1.25 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.59 1x91 h LEU 12 CO 0.64 0.46 -0.75 0.21 -1.08 0.00 0.00 178.44 177.91 1x91 s ASN 13 N -6.47 3.43 0.38 -0.43 3.84 -1.26 -4.96 114.94 109.46 1x91 s ASN 13 Ca 0.01 -3.08 0.05 0.00 0.21 0.00 0.00 52.86 50.05 1x91 s ASN 13 Cb 0.10 -1.06 0.74 0.00 -0.55 0.00 0.00 41.25 40.48 1x91 s ASN 13 CO 0.71 -0.19 2.01 -0.65 -2.79 0.00 0.00 177.10 176.20 1x91 h PRO 14 N 6.09 0.64 -0.18 0.43 0.11 -1.77 -2.28 132.00 135.03 1x91 h PRO 14 Ca 0.10 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1x91 h PRO 14 Cb 0.87 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 1x91 h PRO 14 CO 0.52 0.46 -0.08 0.77 -0.21 0.00 0.00 178.00 179.46 1x91 h SER 15 N 0.65 -0.26 -0.56 -2.05 0.02 -1.93 0.16 113.55 109.58 1x91 h SER 15 Ca 0.17 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1x91 h SER 15 Cb -0.01 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1x91 h SER 15 CO -0.03 -0.10 0.30 0.15 -1.14 0.00 0.00 176.83 176.00 1x91 h PHE 16 N -0.05 0.54 -0.41 3.45 3.57 -1.91 -0.87 116.94 121.26 1x91 h PHE 16 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1x91 h PHE 16 Cb 0.19 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1x91 h PHE 16 CO -0.23 0.27 0.09 0.00 -2.23 0.00 0.00 178.31 176.21 1x91 h LEU 18 N 0.53 0.66 -0.19 0.00 3.38 -0.44 -0.31 115.31 118.94 1x91 h LEU 18 Ca 0.13 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1x91 h LEU 18 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1x91 h LEU 18 CO 0.00 0.50 0.02 0.50 0.09 0.00 0.00 178.44 179.55 1x91 h LYS 19 N 0.76 0.09 -0.14 1.13 3.64 -0.84 -1.88 116.57 119.32 1x91 h LYS 19 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1x91 h LYS 19 Cb -0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1x91 h LYS 19 CO -0.04 0.06 0.09 0.35 -2.27 0.00 0.00 179.45 177.64 1x91 h PHE 20 N 0.09 0.19 -0.06 1.91 3.57 -0.33 0.36 116.94 122.67 1x91 h PHE 20 Ca 0.09 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 1x91 h PHE 20 Cb 0.09 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1x91 h PHE 20 CO -0.15 0.16 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.32 1x91 h LEU 21 N 0.17 0.33 -0.20 0.59 3.38 -1.02 -2.55 115.31 116.01 1x91 h LEU 21 Ca 0.05 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1x91 h LEU 21 Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1x91 h LEU 21 CO -0.01 0.92 -0.46 0.78 0.09 0.00 0.00 178.44 179.76 1x91 h ASN 22 N 0.19 0.76 -0.37 -0.43 2.35 -1.28 -1.05 115.58 115.76 1x91 h ASN 22 Ca -0.02 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.16 1x91 h ASN 22 Cb 1.25 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 1x91 h ASN 22 CO 0.11 1.18 0.21 0.74 -1.65 0.00 0.00 177.43 178.02 1x91 h THR 23 N 0.37 1.13 -0.44 2.81 2.02 -0.83 -2.31 112.91 115.67 1x91 h THR 23 Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1x91 h THR 23 Cb 1.07 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1x91 h THR 23 CO 0.10 0.14 0.00 0.29 0.37 0.00 0.00 175.52 176.42 1x91 n LYS 24 N -4.43 3.79 -3.47 6.66 5.02 -0.97 -5.00 118.16 119.77 1x91 n LYS 24 Ca 0.03 -2.93 -0.19 0.00 -2.02 0.00 0.00 58.31 53.20 1x91 n LYS 24 Cb 0.10 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1x91 n LYS 24 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x91 n PHE 25 N 0.20 -1.27 -1.76 2.13 7.35 -0.87 -4.62 117.46 118.61 1x91 n PHE 25 Ca 0.24 0.47 -0.41 0.00 -0.76 0.00 0.00 57.45 56.98 1x91 n PHE 25 Cb 0.98 -1.83 -0.01 0.00 0.35 0.00 0.00 39.48 38.98 1x91 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x91 n ALA 26 N -2.22 2.52 -1.73 3.13 0.00 -0.44 -4.91 120.51 116.86 1x91 n ALA 26 Ca -0.20 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1x91 n ALA 26 Cb 0.45 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.47 1x91 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x91 n SER 27 N 1.38 2.87 0.01 0.00 2.88 -1.26 -4.91 113.62 114.60 1x91 n SER 27 Ca 0.05 1.11 0.14 0.00 -1.33 0.00 0.00 58.87 58.83 1x91 n SER 27 Cb 0.38 -1.55 0.55 0.00 -0.75 0.00 0.00 64.21 62.84 1x91 n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x91 n ALA 28 N -0.25 2.47 -2.60 -1.46 0.00 -1.26 -4.63 120.51 112.77 1x91 n ALA 28 Ca 0.06 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1x91 n ALA 28 Cb 0.41 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1x91 n ALA 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x91 s ASN 29 N -3.18 6.70 0.40 0.00 3.84 -1.26 -4.76 114.94 116.68 1x91 s ASN 29 Ca 0.13 0.63 0.12 0.00 0.21 0.00 0.00 52.86 53.95 1x91 s ASN 29 Cb 0.18 -2.55 0.84 0.00 -0.55 0.00 0.00 41.25 39.17 1x91 s ASN 29 CO 0.56 -1.16 1.92 -0.07 -2.79 0.00 0.00 177.10 175.55 1x91 h LEU 30 N 10.95 0.10 -0.35 3.21 3.38 -1.98 -0.61 115.31 130.01 1x91 h LEU 30 Ca -0.22 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1x91 h LEU 30 Cb 1.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1x91 h LEU 30 CO 1.10 0.32 0.04 -0.61 0.09 0.00 0.00 178.44 179.38 1x91 h GLN 31 N 0.10 0.59 -0.54 1.13 5.75 -1.95 0.20 115.11 120.40 1x91 h GLN 31 Ca 0.02 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1x91 h GLN 31 Cb 0.43 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1x91 h GLN 31 CO 0.03 0.67 0.06 0.00 -2.65 0.00 0.00 178.83 176.95 1x91 h ALA 32 N 0.89 0.72 -0.44 3.38 0.00 -1.83 -2.39 119.26 119.59 1x91 h ALA 32 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1x91 h ALA 32 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1x91 h ALA 32 CO 0.01 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.86 1x91 h LEU 33 N 0.79 0.80 -0.71 0.00 5.85 -0.98 -1.56 115.31 119.50 1x91 h LEU 33 Ca 0.16 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1x91 h LEU 33 Cb 0.44 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1x91 h LEU 33 CO 0.02 0.94 0.35 0.00 -0.34 0.00 0.00 178.44 179.41 1x91 h ALA 34 N 1.13 0.97 -0.20 1.25 0.00 -0.83 -1.14 119.26 120.43 1x91 h ALA 34 Ca 0.12 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1x91 h ALA 34 Cb 0.63 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x91 h ALA 34 CO 0.04 -0.06 -0.23 -0.22 0.00 0.00 0.00 179.25 178.78 1x91 h LYS 35 N 0.59 0.51 -0.00 0.00 1.63 -1.02 -0.80 116.57 117.48 1x91 h LYS 35 Ca 0.35 -0.28 -0.08 0.00 -0.85 0.00 0.00 60.65 59.78 1x91 h LYS 35 Cb 0.38 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1x91 h LYS 35 CO -0.27 0.87 -0.39 1.79 -3.45 0.00 0.00 179.45 177.99 1x91 h THR 36 N 0.18 1.28 -0.16 1.00 1.35 -1.10 -0.17 112.91 115.29 1x91 h THR 36 Ca 0.03 -1.35 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 1x91 h THR 36 Cb 0.79 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1x91 h THR 36 CO 0.06 0.39 -0.03 0.74 -0.25 0.00 0.00 175.52 176.42 1x91 h THR 37 N 0.00 1.28 -0.84 6.82 2.02 -1.04 -2.29 112.91 118.87 1x91 h THR 37 Ca -0.00 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.26 1x91 h THR 37 Cb 0.70 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 1x91 h THR 37 CO 0.05 0.29 0.51 -0.07 0.37 0.00 0.00 175.52 176.68 1x91 h LEU 38 N 0.02 0.81 -0.39 2.58 3.38 -0.86 -1.79 115.31 119.06 1x91 h LEU 38 Ca 0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x91 h LEU 38 Cb 0.46 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1x91 h LEU 38 CO 0.01 0.52 0.15 0.44 0.09 0.00 0.00 178.44 179.65 1x91 h ASP 39 N 0.94 0.17 -0.55 -0.43 3.32 -0.82 0.53 116.42 119.58 1x91 h ASP 39 Ca 0.36 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 1x91 h ASP 39 Cb 0.17 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1x91 h ASP 39 CO -0.17 0.13 0.04 0.28 -1.72 0.00 0.00 179.24 177.80 1x91 h SER 40 N 0.31 0.94 -0.25 6.45 0.02 -1.01 -1.37 113.55 118.65 1x91 h SER 40 Ca 0.18 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1x91 h SER 40 Cb 0.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1x91 h SER 40 CO -0.17 0.98 0.02 0.74 -1.14 0.00 0.00 176.83 177.25 1x91 h THR 41 N 0.91 1.24 -0.62 -2.27 2.02 -0.84 -1.23 112.91 112.12 1x91 h THR 41 Ca 0.17 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1x91 h THR 41 Cb 0.48 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1x91 h THR 41 CO 0.02 0.27 0.07 -0.61 0.37 0.00 0.00 175.52 175.64 1x91 h GLN 42 N 0.21 1.05 -0.37 6.66 5.75 -0.77 -1.16 115.11 126.48 1x91 h GLN 42 Ca 0.07 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1x91 h GLN 42 Cb 0.37 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1x91 h GLN 42 CO 0.01 0.99 0.23 0.00 -2.65 0.00 0.00 178.83 177.40 1x91 h ALA 43 N 1.02 0.47 -0.91 3.38 0.00 -1.10 0.91 119.26 123.02 1x91 h ALA 43 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x91 h ALA 43 Cb 0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1x91 h ALA 43 CO 0.02 -0.04 0.55 0.00 0.00 0.00 0.00 179.25 179.78 1x91 h ARG 44 N 0.48 1.24 -0.18 0.00 2.47 -0.93 -1.32 114.38 116.15 1x91 h ARG 44 Ca 0.13 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1x91 h ARG 44 Cb -0.01 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.05 1x91 h ARG 44 CO -0.03 0.86 0.01 0.00 0.56 0.00 0.00 179.97 181.38 1x91 h ALA 45 N 1.35 0.24 0.00 0.04 0.00 -0.91 -1.01 119.26 118.97 1x91 h ALA 45 Ca 0.33 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1x91 h ALA 45 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x91 h ALA 45 CO -0.06 -0.07 -0.39 1.79 0.00 0.00 0.00 179.25 180.52 1x91 h THR 46 N 0.07 1.09 -0.64 0.00 1.35 -0.57 -0.55 112.91 113.66 1x91 h THR 46 Ca 0.05 -1.45 -0.09 0.00 -0.55 0.00 0.00 66.41 64.38 1x91 h THR 46 Cb 0.35 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1x91 h THR 46 CO 0.01 0.39 0.06 1.56 -0.25 0.00 0.00 175.52 177.28 1x91 h GLN 47 N 0.00 1.08 -0.30 4.72 4.20 -1.07 -2.44 115.11 121.30 1x91 h GLN 47 Ca -0.00 -0.31 -0.13 0.00 0.06 0.00 0.00 58.65 58.26 1x91 h GLN 47 Cb 0.79 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1x91 h GLN 47 CO 0.05 1.01 -0.33 1.15 -0.67 0.00 0.00 178.83 180.04 1x91 h THR 48 N 1.00 1.30 -0.62 -0.54 2.02 -0.72 -0.76 112.91 114.59 1x91 h THR 48 Ca 0.19 -1.51 0.10 0.00 0.77 0.00 0.00 66.41 65.95 1x91 h THR 48 Cb 0.49 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 1x91 h THR 48 CO 0.02 0.49 0.23 0.25 0.37 0.00 0.00 175.52 176.88 1x91 h LEU 49 N 0.50 0.23 -0.59 2.58 5.85 -0.96 0.33 115.31 123.26 1x91 h LEU 49 Ca 0.04 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1x91 h LEU 49 Cb 0.92 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1x91 h LEU 49 CO 0.08 0.13 0.30 0.11 -0.34 0.00 0.00 178.44 178.72 1x91 h LYS 50 N 0.41 0.84 -0.26 1.25 1.79 -1.14 -1.63 116.57 117.82 1x91 h LYS 50 Ca 0.31 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1x91 h LYS 50 Cb 0.39 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1x91 h LYS 50 CO -0.31 0.67 0.15 -0.22 -1.08 0.00 0.00 179.45 178.65 1x91 h LYS 51 N 0.80 0.36 -0.57 3.15 1.63 -0.75 -1.65 116.57 119.54 1x91 h LYS 51 Ca 0.20 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.02 1x91 h LYS 51 Cb 0.09 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 1x91 h LYS 51 CO -0.03 0.31 0.29 -0.07 -3.45 0.00 0.00 179.45 176.51 1x91 h LEU 52 N 0.31 0.41 -0.94 5.20 3.38 -0.69 -1.40 115.31 121.59 1x91 h LEU 52 Ca 0.09 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1x91 h LEU 52 Cb 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1x91 h LEU 52 CO -0.02 0.28 0.17 -0.61 0.09 0.00 0.00 178.44 178.35 1x91 h GLN 53 N 0.55 0.94 -0.55 1.13 5.75 -1.11 -0.96 115.11 120.88 1x91 h GLN 53 Ca 0.26 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1x91 h GLN 53 Cb 0.17 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1x91 h GLN 53 CO -0.18 0.83 0.23 1.03 -2.65 0.00 0.00 178.83 178.09 1x91 h SER 54 N 0.91 0.75 0.01 -0.69 0.87 -0.72 0.05 113.55 114.73 1x91 h SER 54 Ca 0.20 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x91 h SER 54 Cb 0.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1x91 h SER 54 CO -0.00 0.70 -0.01 0.40 -0.53 0.00 0.00 176.83 177.39 1x91 h ILE 55 N 0.74 1.15 -0.54 2.23 2.04 -0.90 -1.79 117.51 120.44 1x91 h ILE 55 Ca 0.18 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.61 1x91 h ILE 55 Cb 0.19 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1x91 h ILE 55 CO -0.02 0.13 0.24 0.40 0.00 0.00 0.00 178.15 178.90 1x91 h ILE 56 N -0.23 0.89 -0.18 -0.67 2.04 -1.10 -2.52 117.51 115.73 1x91 h ILE 56 Ca -0.00 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1x91 h ILE 56 Cb 0.22 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1x91 h ILE 56 CO 0.00 0.08 -0.17 0.44 0.00 0.00 0.00 178.15 178.51 1x91 h ASP 57 N 0.46 0.30 0.73 1.72 3.32 -0.78 -2.42 116.42 119.75 1x91 h ASP 57 Ca 0.25 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1x91 h ASP 57 Cb 0.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1x91 h ASP 57 CO -0.21 0.49 -0.19 1.23 -1.72 0.00 0.00 179.24 178.83 1x91 h GLY 58 N 0.87 0.00 0.00 2.75 0.00 -0.89 -3.48 103.07 102.32 1x91 h GLY 58 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1x91 h GLY 58 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1x91 n GLY 59 N -0.13 0.46 3.82 4.60 0.00 -0.91 -5.12 105.19 107.91 1x91 n GLY 59 Ca -0.01 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1x91 n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x91 s VAL 60 N 0.00 1.75 0.80 1.61 -7.23 -1.26 -5.04 120.40 111.03 1x91 s VAL 60 Ca 0.00 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 1x91 s VAL 60 Cb 0.00 -2.43 0.07 0.00 0.56 0.00 0.00 36.38 34.58 1x91 s VAL 60 CO 0.00 0.00 1.09 1.51 -0.31 0.00 0.00 175.10 177.39 1x91 s ASP 61 N -4.06 4.35 0.40 4.85 -4.77 -1.26 -4.75 116.67 111.43 1x91 s ASP 61 Ca 0.29 1.58 0.08 0.00 -3.30 0.00 0.00 52.55 51.21 1x91 s ASP 61 Cb 0.01 -2.31 0.86 0.00 -1.09 0.00 0.00 42.92 40.39 1x91 s ASP 61 CO 0.17 -2.10 2.00 -0.65 0.70 0.00 0.00 175.17 175.30 1x91 h PRO 62 N -1.17 0.57 0.12 2.11 0.11 -2.00 0.87 132.00 132.61 1x91 h PRO 62 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1x91 h PRO 62 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x91 h PRO 62 CO 0.55 0.38 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.57 1x91 h ARG 63 N 0.59 -0.15 -0.84 1.05 9.65 -2.00 -2.04 114.38 120.65 1x91 h ARG 63 Ca 0.24 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.26 1x91 h ARG 63 Cb 0.21 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.74 1x91 h ARG 63 CO -0.07 0.26 0.44 0.77 2.80 0.00 0.00 179.97 184.17 1x91 h SER 64 N -0.61 0.56 -0.72 -3.80 0.02 -1.90 -1.87 113.55 105.24 1x91 h SER 64 Ca -0.02 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1x91 h SER 64 Cb 0.48 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1x91 h SER 64 CO 0.03 0.26 0.28 0.50 -1.14 0.00 0.00 176.83 176.76 1x91 h LYS 65 N 0.66 1.08 -0.31 3.45 3.64 -0.69 0.46 116.57 124.85 1x91 h LYS 65 Ca 0.44 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1x91 h LYS 65 Cb 0.57 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1x91 h LYS 65 CO -0.33 0.89 -0.35 1.25 -2.27 0.00 0.00 179.45 178.64 1x91 h LEU 66 N 1.03 0.84 -0.08 5.20 5.85 -1.07 -0.96 115.31 126.13 1x91 h LEU 66 Ca 0.24 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1x91 h LEU 66 Cb 0.22 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1x91 h LEU 66 CO -0.02 1.15 0.04 0.00 -0.34 0.00 0.00 178.44 179.27 1x91 h ALA 67 N 0.71 0.11 -0.15 1.25 0.00 -0.98 -0.62 119.26 119.58 1x91 h ALA 67 Ca 0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1x91 h ALA 67 Cb 0.93 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x91 h ALA 67 CO 0.08 -0.32 -0.35 1.88 0.00 0.00 0.00 179.25 180.55 1x91 h TYR 68 N -0.01 0.36 -0.49 0.00 0.05 -0.89 -0.95 116.97 115.04 1x91 h TYR 68 Ca 0.03 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 1x91 h TYR 68 Cb 0.15 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1x91 h TYR 68 CO -0.02 0.63 -0.10 0.00 -1.05 0.00 0.00 178.16 177.62 1x91 h ARG 69 N 0.27 0.89 -0.73 4.88 3.08 -1.01 0.12 114.38 121.89 1x91 h ARG 69 Ca 0.03 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1x91 h ARG 69 Cb 0.75 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1x91 h ARG 69 CO 0.06 0.95 0.36 1.03 -1.07 0.00 0.00 179.97 181.30 1x91 h SER 70 N 0.80 0.94 -0.88 7.04 0.87 -0.81 -1.93 113.55 119.59 1x91 h SER 70 Ca 0.13 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1x91 h SER 70 Cb 0.62 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1x91 h SER 70 CO 0.04 0.80 0.51 0.00 -0.53 0.00 0.00 176.83 177.65 1x91 h VAL 72 N 1.22 1.22 -0.51 0.00 2.07 -0.43 0.43 116.25 120.25 1x91 h VAL 72 Ca 0.31 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1x91 h VAL 72 Cb -0.02 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1x91 h VAL 72 CO -0.06 0.27 0.25 0.44 0.02 0.00 0.00 177.57 178.50 1x91 h ASP 73 N 0.69 0.67 -0.68 0.57 3.32 -1.02 0.31 116.42 120.27 1x91 h ASP 73 Ca 0.17 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1x91 h ASP 73 Cb 0.24 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1x91 h ASP 73 CO -0.01 0.60 0.15 -0.33 -1.72 0.00 0.00 179.24 177.93 1x91 h GLU 74 N 0.68 1.10 -0.13 3.56 4.39 -0.65 -1.46 114.58 122.08 1x91 h GLU 74 Ca 0.18 -0.27 -0.19 0.00 0.34 0.00 0.00 59.36 59.42 1x91 h GLU 74 Cb 0.10 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1x91 h GLU 74 CO -0.02 0.98 -0.70 1.88 -1.16 0.00 0.00 179.01 179.99 1x91 h TYR 75 N 1.04 0.73 -0.84 4.33 -1.99 -0.60 0.23 116.97 119.87 1x91 h TYR 75 Ca 0.22 -0.30 0.03 0.00 2.00 0.00 0.00 58.73 60.67 1x91 h TYR 75 Cb 0.38 -0.12 -0.05 0.00 2.00 0.00 0.00 36.73 38.94 1x91 h TYR 75 CO 0.03 1.08 0.54 0.93 -0.00 0.00 0.00 178.16 180.73 1x91 h GLU 76 N 0.39 1.01 -0.15 4.88 5.08 -0.83 0.62 114.58 125.58 1x91 h GLU 76 Ca -0.03 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1x91 h GLU 76 Cb 1.28 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1x91 h GLU 76 CO 0.13 0.67 -0.55 1.03 -1.00 0.00 0.00 179.01 179.29 1x91 h SER 77 N 1.04 0.51 -0.64 1.42 0.87 -0.89 -2.50 113.55 113.36 1x91 h SER 77 Ca 0.34 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1x91 h SER 77 Cb 0.01 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1x91 h SER 77 CO -0.12 0.96 0.07 0.00 -0.53 0.00 0.00 176.83 177.21 1x91 h ALA 78 N 1.05 0.85 -0.54 6.23 0.00 -0.23 0.47 119.26 127.09 1x91 h ALA 78 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x91 h ALA 78 Cb 1.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1x91 h ALA 78 CO 0.10 0.64 0.35 0.82 0.00 0.00 0.00 179.25 181.16 1x91 h ILE 79 N 0.99 1.14 -0.93 0.00 2.04 -0.80 0.93 117.51 120.88 1x91 h ILE 79 Ca 0.19 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1x91 h ILE 79 Cb 0.48 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1x91 h ILE 79 CO 0.02 0.14 0.62 1.23 0.00 0.00 0.00 178.15 180.15 1x91 h GLY 80 N 0.73 1.32 1.23 5.37 0.00 -0.96 -1.49 103.07 109.26 1x91 h GLY 80 Ca 0.20 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1x91 h GLY 80 CO -0.04 0.46 0.10 3.43 0.00 0.00 0.00 176.54 180.49 1x91 h ASN 81 N 1.25 0.90 0.65 0.19 2.35 -0.29 -1.77 115.58 118.86 1x91 h ASN 81 Ca 0.35 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1x91 h ASN 81 Cb -0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 1x91 h ASN 81 CO -0.08 0.91 -0.61 -0.07 -1.65 0.00 0.00 177.43 175.93 1x91 h LEU 82 N 0.90 0.00 -0.43 1.61 3.38 -0.50 -0.43 115.31 119.83 1x91 h LEU 82 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1x91 h LEU 82 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1x91 h LEU 82 CO 0.01 0.61 0.24 -0.33 0.09 0.00 0.00 178.44 179.05 1x91 h GLU 83 N 0.00 0.59 -0.37 1.13 5.08 -0.94 -1.51 114.58 118.56 1x91 h GLU 83 Ca -0.01 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1x91 h GLU 83 Cb 1.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1x91 h GLU 83 CO 0.08 0.47 -0.17 0.93 -1.00 0.00 0.00 179.01 179.32 1x91 h GLU 84 N 0.56 0.70 -0.36 2.33 4.39 -0.98 -2.42 114.58 118.80 1x91 h GLU 84 Ca 0.15 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1x91 h GLU 84 Cb 0.05 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1x91 h GLU 84 CO -0.02 0.83 0.18 0.00 -1.16 0.00 0.00 179.01 178.83 1x91 h ALA 85 N 1.19 0.44 -0.36 3.43 0.00 -0.60 -0.85 119.26 122.50 1x91 h ALA 85 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1x91 h ALA 85 Cb 0.64 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1x91 h ALA 85 CO 0.05 -0.19 -0.10 0.35 0.00 0.00 0.00 179.25 179.36 1x91 h PHE 86 N 0.37 -0.22 -0.76 0.00 3.57 -1.05 -0.27 116.94 118.58 1x91 h PHE 86 Ca 0.15 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1x91 h PHE 86 Cb 0.05 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1x91 h PHE 86 CO -0.10 -0.17 0.41 0.93 -2.23 0.00 0.00 178.31 177.16 1x91 h GLU 87 N -0.02 0.67 -0.11 1.11 4.39 -0.79 -1.17 114.58 118.68 1x91 h GLU 87 Ca 0.17 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.61 1x91 h GLU 87 Cb 0.28 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1x91 h GLU 87 CO -0.38 0.44 -0.83 0.45 -1.16 0.00 0.00 179.01 177.54 1x91 h HIS 88 N 0.69 0.97 -0.99 4.33 3.86 -0.94 -2.92 115.15 120.15 1x91 h HIS 88 Ca 0.37 -0.45 0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1x91 h HIS 88 Cb 0.36 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.60 1x91 h HIS 88 CO -0.08 1.28 0.63 1.25 0.86 0.00 0.00 177.93 181.86 1x91 h LEU 89 N 0.46 0.90 -1.34 2.43 5.85 -0.84 0.52 115.31 123.30 1x91 h LEU 89 Ca -0.07 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1x91 h LEU 89 Cb 1.46 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1x91 h LEU 89 CO 0.16 0.48 -0.03 0.00 -0.34 0.00 0.00 178.44 178.71 1x91 h ALA 90 N 1.55 1.46 -0.01 1.25 0.00 -1.12 0.12 119.26 122.51 1x91 h ALA 90 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x91 h ALA 90 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x91 h ALA 90 CO -0.26 0.38 0.00 0.45 0.00 0.00 0.00 179.25 179.82 1x91 n SER 91 N -4.30 0.30 -0.11 0.00 2.88 0.05 -4.92 113.62 107.53 1x91 n SER 91 Ca 0.01 -1.14 -0.01 0.00 -1.33 0.00 0.00 58.87 56.39 1x91 n SER 91 Cb 0.24 -0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 1x91 n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x91 n GLY 92 N 1.01 0.49 3.45 0.46 0.00 0.42 -5.00 105.19 106.02 1x91 n GLY 92 Ca 0.22 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1x91 n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x91 s ASP 93 N -2.26 6.81 0.21 1.61 2.15 -0.47 -4.74 116.67 119.98 1x91 s ASP 93 Ca 0.00 -2.45 -0.10 0.00 0.43 0.00 0.00 52.55 50.43 1x91 s ASP 93 Cb 0.00 -2.40 0.15 0.00 -0.30 0.00 0.00 42.92 40.37 1x91 s ASP 93 CO 0.00 -0.92 1.86 1.23 -0.17 0.00 0.00 175.17 177.17 1x91 h GLY 94 N 10.07 1.06 1.86 2.66 0.00 -1.83 -1.98 103.07 114.91 1x91 h GLY 94 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1x91 h GLY 94 CO 1.16 0.41 -0.09 1.98 0.00 0.00 0.00 176.54 179.99 1x91 h MET 95 N 1.01 0.18 -0.18 4.80 1.85 -1.90 -0.30 114.93 120.39 1x91 h MET 95 Ca 0.27 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.24 1x91 h MET 95 Cb -0.07 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 1x91 h MET 95 CO -0.05 0.29 -0.21 0.78 -0.40 0.00 0.00 176.91 177.31 1x91 h GLY 96 N 0.60 0.51 0.64 1.39 0.00 -1.86 -1.65 103.07 102.69 1x91 h GLY 96 Ca 0.04 -0.54 0.06 0.00 0.00 0.00 0.00 47.33 46.89 1x91 h GLY 96 CO 0.02 0.48 0.29 1.98 0.00 0.00 0.00 176.54 179.31 1x91 h MET 97 N 0.12 0.53 -0.56 4.80 -1.53 -1.21 -2.61 114.93 114.48 1x91 h MET 97 Ca 0.03 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1x91 h MET 97 Cb 0.76 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 1x91 h MET 97 CO 0.05 0.35 0.22 -0.97 0.14 0.00 0.00 176.91 176.70 1x91 h ASN 98 N 0.55 0.77 -0.48 1.39 -0.73 -0.55 0.15 115.58 116.69 1x91 h ASN 98 Ca 0.27 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1x91 h ASN 98 Cb 0.20 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1x91 h ASN 98 CO -0.20 0.74 0.22 -0.03 -0.37 0.00 0.00 177.43 177.79 1x91 h MET 99 N 0.76 0.69 -0.09 6.67 4.05 -1.22 -0.18 114.93 125.61 1x91 h MET 99 Ca 0.18 -0.11 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 1x91 h MET 99 Cb 0.21 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1x91 h MET 99 CO -0.01 0.60 -0.75 0.87 0.23 0.00 0.00 176.91 177.85 1x91 h LYS 100 N 0.63 0.50 -0.68 0.39 1.79 -1.16 -2.37 116.57 115.66 1x91 h LYS 100 Ca 0.16 -0.41 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 1x91 h LYS 100 Cb 0.14 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1x91 h LYS 100 CO -0.02 1.04 0.16 0.28 -1.08 0.00 0.00 179.45 179.84 1x91 h VAL 101 N 0.34 1.26 -0.84 0.50 2.07 -0.80 -1.10 116.25 117.67 1x91 h VAL 101 Ca -0.04 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1x91 h VAL 101 Cb 1.33 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1x91 h VAL 101 CO 0.13 0.36 0.52 0.28 0.02 0.00 0.00 177.57 178.88 1x91 h SER 102 N 1.03 0.81 -0.61 0.57 0.02 -0.87 -0.07 113.55 114.42 1x91 h SER 102 Ca 0.21 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1x91 h SER 102 Cb 0.36 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1x91 h SER 102 CO 0.00 0.51 0.06 0.00 -1.14 0.00 0.00 176.83 176.27 1x91 h ALA 103 N 1.40 0.82 -0.56 3.77 0.00 -1.02 -2.43 119.26 121.24 1x91 h ALA 103 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x91 h ALA 103 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1x91 h ALA 103 CO -0.18 0.61 0.36 0.00 0.00 0.00 0.00 179.25 180.04 1x91 h ALA 104 N 1.01 0.71 -0.76 0.00 0.00 -0.56 -2.69 119.26 116.97 1x91 h ALA 104 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1x91 h ALA 104 Cb 0.48 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1x91 h ALA 104 CO 0.02 0.17 0.42 1.25 0.00 0.00 0.00 179.25 181.11 1x91 h LEU 105 N 0.76 0.60 -1.54 0.00 6.46 -0.86 -0.61 115.31 120.13 1x91 h LEU 105 Ca 0.20 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1x91 h LEU 105 Cb -0.05 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1x91 h LEU 105 CO -0.04 0.36 0.20 0.44 -0.62 0.00 0.00 178.44 178.78 1x91 h ASP 106 N 0.73 0.45 -0.15 1.25 5.19 -1.13 0.08 116.42 122.85 1x91 h ASP 106 Ca 0.36 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 1x91 h ASP 106 Cb 0.30 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1x91 h ASP 106 CO -0.23 0.37 0.05 1.23 -3.12 0.00 0.00 179.24 177.55 1x91 h GLY 107 N 0.60 0.24 1.01 2.75 0.00 -0.83 0.11 103.07 106.94 1x91 h GLY 107 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1x91 h GLY 107 CO -0.02 0.13 0.44 0.00 0.00 0.00 0.00 176.54 177.08 1x91 h ALA 108 N 0.88 0.96 -0.48 3.60 0.00 -0.82 -1.28 119.26 122.12 1x91 h ALA 108 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1x91 h ALA 108 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x91 h ALA 108 CO -0.00 0.45 -0.09 0.22 0.00 0.00 0.00 179.25 179.83 1x91 h ASP 109 N 1.04 0.86 -0.29 0.00 1.82 -0.81 -1.75 116.42 117.28 1x91 h ASP 109 Ca 0.27 -0.26 -0.10 0.00 -0.39 0.00 0.00 57.03 56.55 1x91 h ASP 109 Cb -0.00 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1x91 h ASP 109 CO -0.05 0.97 -0.22 0.74 -1.61 0.00 0.00 179.24 179.08 1x91 h THR 110 N 0.79 1.30 -0.51 2.25 2.02 -0.58 0.54 112.91 118.71 1x91 h THR 110 Ca 0.13 -1.36 0.09 0.00 0.77 0.00 0.00 66.41 66.04 1x91 h THR 110 Cb 0.60 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 1x91 h THR 110 CO 0.04 0.43 0.12 0.00 0.37 0.00 0.00 175.52 176.48 1x91 h LEU 112 N 0.26 -1.09 -0.79 0.00 3.38 -0.92 -1.45 115.31 114.70 1x91 h LEU 112 Ca 0.26 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.43 1x91 h LEU 112 Cb 0.34 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 1x91 h LEU 112 CO -0.32 -0.73 -0.21 -0.67 0.09 0.00 0.00 178.44 176.60 1x91 n ASP 113 N -5.61 -0.31 0.25 -0.43 2.03 0.19 -2.40 116.55 110.26 1x91 n ASP 113 Ca -0.15 1.37 0.10 0.00 0.52 0.00 0.00 54.79 56.63 1x91 n ASP 113 Cb 0.48 -0.40 0.65 0.00 -0.72 0.00 0.00 41.12 41.13 1x91 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1x91 h ASP 114 N 0.00 0.00 -0.02 1.67 3.32 0.46 -3.07 116.42 118.78 1x91 h ASP 114 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1x91 h ASP 114 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1x91 h ASP 114 CO -0.82 0.15 -0.12 1.33 -1.72 0.00 0.00 179.24 178.06 1x91 n VAL 115 N -3.85 0.00 0.10 -1.35 0.24 -0.79 -4.60 118.33 108.07 1x91 n VAL 115 Ca -0.02 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.34 61.83 1x91 n VAL 115 Cb 0.25 1.38 0.27 0.00 -1.47 0.00 0.00 33.84 34.27 1x91 n VAL 115 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1x91 h LYS 116 N 3.61 0.25 -0.03 7.34 2.10 -1.37 -2.59 116.57 125.88 1x91 h LYS 116 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1x91 h LYS 116 Cb 0.83 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1x91 h LYS 116 CO 0.00 0.55 0.00 0.54 -2.00 0.00 0.00 179.45 178.54 1x91 n ARG 117 N -4.11 1.58 -2.46 0.07 5.12 -1.26 -4.87 116.66 110.74 1x91 n ARG 117 Ca -0.01 -0.85 -0.41 0.00 -1.93 0.00 0.00 57.85 54.64 1x91 n ARG 117 Cb 0.41 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.21 1x91 n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1x91 s LEU 118 N -1.93 4.46 0.21 0.55 1.43 -0.98 -4.96 118.68 117.47 1x91 s LEU 118 Ca 0.38 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.53 1x91 s LEU 118 Cb 0.20 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.99 1x91 s LEU 118 CO 0.33 -0.30 1.82 -0.09 0.23 0.00 0.00 176.35 178.34 1x91 h ARG 119 N 5.33 1.14 -3.90 1.70 9.65 -1.89 -3.42 114.38 122.98 1x91 h ARG 119 Ca -0.44 -0.15 -0.33 0.00 -1.10 0.00 0.00 59.98 57.96 1x91 h ARG 119 Cb 1.21 -0.22 -0.32 0.00 -1.39 0.00 0.00 29.97 29.26 1x91 h ARG 119 CO 0.74 0.85 -0.75 0.45 2.80 0.00 0.00 179.97 184.06 1x91 s SER 120 N -6.16 0.47 0.08 -3.80 0.15 -1.26 -5.16 113.70 98.02 1x91 s SER 120 Ca -0.13 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1x91 s SER 120 Cb 0.16 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1x91 s SER 120 CO 0.82 -0.04 -0.10 0.54 1.20 0.00 0.00 173.24 175.65 1x91 s VAL 121 N 0.59 0.89 -0.15 4.45 0.11 -1.26 -5.05 120.40 119.98 1x91 s VAL 121 Ca -0.06 -1.47 -0.29 0.00 -2.93 0.00 0.00 61.98 57.23 1x91 s VAL 121 Cb -0.09 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1x91 s VAL 121 CO -0.01 -0.46 1.53 -0.62 -3.33 0.00 0.00 175.10 172.21 1x91 s ASP 122 N -2.14 6.64 0.34 3.54 2.15 -1.26 -4.92 116.67 121.02 1x91 s ASP 122 Ca 0.01 1.85 0.07 0.00 0.43 0.00 0.00 52.55 54.91 1x91 s ASP 122 Cb -0.06 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.66 1x91 s ASP 122 CO 0.00 -1.00 1.84 0.77 -0.17 0.00 0.00 175.17 176.61 1x91 h SER 123 N 9.60 0.31 -0.33 -0.34 4.64 -1.99 -2.61 113.55 122.83 1x91 h SER 123 Ca -0.34 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 1x91 h SER 123 Cb 1.15 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1x91 h SER 123 CO 0.98 0.51 -0.23 0.77 -0.87 0.00 0.00 176.83 177.99 1x91 h SER 124 N 0.29 0.84 -0.28 4.97 4.64 -1.98 0.24 113.55 122.28 1x91 h SER 124 Ca 0.05 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1x91 h SER 124 Cb 0.50 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1x91 h SER 124 CO 0.03 1.04 0.16 0.58 -0.87 0.00 0.00 176.83 177.77 1x91 h VAL 125 N 0.71 1.12 -0.36 0.95 2.07 -1.88 0.76 116.25 119.62 1x91 h VAL 125 Ca 0.09 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1x91 h VAL 125 Cb 0.76 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1x91 h VAL 125 CO 0.06 0.12 -0.02 0.58 0.02 0.00 0.00 177.57 178.34 1x91 h VAL 126 N 0.34 1.26 -0.14 2.57 2.07 -1.23 -1.31 116.25 119.81 1x91 h VAL 126 Ca 0.10 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 1x91 h VAL 126 Cb 0.06 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1x91 h VAL 126 CO -0.02 0.34 -0.34 0.78 0.02 0.00 0.00 177.57 178.35 1x91 h ASN 127 N 0.46 0.55 -0.48 0.57 2.35 -0.46 -1.08 115.58 117.50 1x91 h ASN 127 Ca 0.10 -0.57 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1x91 h ASN 127 Cb 0.49 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1x91 h ASN 127 CO 0.02 1.02 0.20 0.78 -1.65 0.00 0.00 177.43 177.80 1x91 h ASN 128 N 0.10 0.70 -0.51 5.81 4.21 -0.86 -0.58 115.58 124.46 1x91 h ASN 128 Ca -0.00 -0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.37 1x91 h ASN 128 Cb 0.94 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 1x91 h ASN 128 CO 0.07 0.64 0.10 0.28 -1.29 0.00 0.00 177.43 177.24 1x91 h SER 129 N 0.76 0.78 -0.57 5.81 0.02 -0.94 0.78 113.55 120.19 1x91 h SER 129 Ca 0.18 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1x91 h SER 129 Cb 0.17 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1x91 h SER 129 CO -0.02 0.83 0.28 0.11 -1.14 0.00 0.00 176.83 176.89 1x91 h LYS 130 N 0.71 0.83 -0.63 3.45 1.57 -0.96 -1.28 116.57 120.26 1x91 h LYS 130 Ca 0.16 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1x91 h LYS 130 Cb 0.36 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1x91 h LYS 130 CO 0.01 0.67 0.37 1.15 -0.57 0.00 0.00 179.45 181.08 1x91 h THR 131 N 0.78 1.19 -0.43 -0.16 2.02 -0.81 -0.94 112.91 114.55 1x91 h THR 131 Ca 0.20 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 1x91 h THR 131 Cb 0.12 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1x91 h THR 131 CO -0.02 0.19 -0.28 0.40 0.37 0.00 0.00 175.52 176.17 1x91 h ILE 132 N 0.85 1.27 -0.56 3.11 2.04 -0.69 -0.10 117.51 123.43 1x91 h ILE 132 Ca 0.22 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.67 1x91 h ILE 132 Cb -0.01 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1x91 h ILE 132 CO -0.04 0.49 0.32 0.50 0.00 0.00 0.00 178.15 179.42 1x91 h LYS 133 N 0.79 0.61 -0.39 2.37 3.64 -0.91 0.87 116.57 123.55 1x91 h LYS 133 Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1x91 h LYS 133 Cb 0.86 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1x91 h LYS 133 CO 0.08 0.40 0.10 -0.91 -2.27 0.00 0.00 179.45 176.85 1x91 h ASN 134 N 0.63 0.58 -0.52 4.20 2.35 -0.80 -0.96 115.58 121.06 1x91 h ASN 134 Ca 0.23 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1x91 h ASN 134 Cb 0.07 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1x91 h ASN 134 CO -0.12 0.65 0.25 -0.07 -1.65 0.00 0.00 177.43 176.49 1x91 h LEU 135 N 0.48 0.68 -1.03 1.61 3.38 -0.78 -1.18 115.31 118.46 1x91 h LEU 135 Ca 0.12 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1x91 h LEU 135 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1x91 h LEU 135 CO -0.00 0.62 0.66 0.00 0.09 0.00 0.00 178.44 179.80 1x91 h GLY 137 N 1.32 1.26 0.90 0.00 0.00 -0.52 0.60 103.07 106.64 1x91 h GLY 137 Ca 0.37 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1x91 h GLY 137 CO -0.09 0.43 0.09 -2.22 0.00 0.00 0.00 176.54 174.75 1x91 h ILE 138 N 1.17 1.20 -0.20 2.60 2.04 -0.80 -2.67 117.51 120.85 1x91 h ILE 138 Ca 0.33 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1x91 h ILE 138 Cb -0.09 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1x91 h ILE 138 CO -0.09 0.22 -0.05 0.00 0.00 0.00 0.00 178.15 178.23 1x91 h ALA 139 N 0.92 1.54 -0.52 1.87 0.00 -0.55 -1.73 119.26 120.79 1x91 h ALA 139 Ca 0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1x91 h ALA 139 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1x91 h ALA 139 CO -0.00 0.33 -0.12 -0.07 0.00 0.00 0.00 179.25 179.39 1x91 h LEU 140 N 0.29 0.98 -0.33 0.00 3.38 -0.68 -0.32 115.31 118.63 1x91 h LEU 140 Ca 0.06 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1x91 h LEU 140 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x91 h LEU 140 CO 0.01 1.10 -0.12 0.58 0.09 0.00 0.00 178.44 180.10 1x91 h VAL 141 N 0.87 1.29 0.07 1.22 2.07 -1.10 -1.66 116.25 119.00 1x91 h VAL 141 Ca 0.14 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1x91 h VAL 141 Cb 0.67 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1x91 h VAL 141 CO 0.05 0.39 -0.03 0.40 0.02 0.00 0.00 177.57 178.40 1x91 h ILE 142 N 0.44 1.01 -0.34 4.57 2.04 -1.28 -2.80 117.51 121.16 1x91 h ILE 142 Ca 0.08 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1x91 h ILE 142 Cb 0.64 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1x91 h ILE 142 CO 0.04 0.07 0.04 0.77 0.00 0.00 0.00 178.15 179.06 1x91 h SER 143 N -0.21 0.47 -0.52 1.72 4.64 -1.04 -0.80 113.55 117.81 1x91 h SER 143 Ca -0.01 -0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1x91 h SER 143 Cb 0.18 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1x91 h SER 143 CO 0.02 0.51 0.35 -1.13 -0.87 0.00 0.00 176.83 175.71 1x91 h ASN 144 N 0.49 0.45 0.45 4.97 -0.73 -1.15 -3.05 115.58 117.02 1x91 h ASN 144 Ca 0.11 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1x91 h ASN 144 Cb 0.27 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1x91 h ASN 144 CO 0.00 0.30 -0.27 0.23 -0.37 0.00 0.00 177.43 177.33 1x91 n MET 145 N -4.47 0.42 -2.24 6.67 2.81 -0.33 -4.89 117.12 115.10 1x91 n MET 145 Ca 0.07 -0.20 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 1x91 n MET 145 Cb 0.21 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1x91 n MET 145 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x91 s LEU 146 N -2.72 3.88 0.51 4.03 1.43 -1.09 -4.94 118.68 119.78 1x91 s LEU 146 Ca 0.20 2.27 -0.22 0.00 -1.03 0.00 0.00 54.13 55.34 1x91 s LEU 146 Cb 0.19 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 1x91 s LEU 146 CO 0.57 -1.09 1.13 -2.65 0.23 0.00 0.00 176.35 174.54 1x91 n PRO 147 N -0.89 1.42 -2.86 1.29 -0.02 -1.26 -4.91 135.00 127.77 1x91 n PRO 147 Ca 0.09 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1x91 n PRO 147 Cb 0.49 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1x91 n PRO 147 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1x91 s ARG 148 N -2.48 4.27 0.00 -0.52 3.00 -1.26 -4.70 118.95 117.26 1x91 s ARG 148 Ca 0.68 1.05 0.00 0.00 0.00 0.00 0.00 55.73 57.46 1x91 s ARG 148 Cb -0.47 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1x91 s ARG 148 CO 0.52 -0.40 0.00 0.09 0.00 0.00 0.00 175.30 175.51