#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w s ALA 13 N 0.00 2.24 -0.01 4.61 0.00 -1.26 -3.81 121.76 123.53 2b1w s ALA 13 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 2b1w s ALA 13 Cb 0.00 -4.40 -0.00 0.00 0.00 0.00 0.00 23.12 18.72 2b1w s ALA 13 CO 0.00 -3.98 0.09 0.52 0.00 0.00 0.00 175.76 172.39 2b1w h MET 14 N 12.09 -0.01 0.00 0.00 2.86 -1.94 -3.43 114.93 124.49 2b1w h MET 14 Ca -0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 2b1w h MET 14 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2b1w h MET 14 CO 1.26 -0.01 -1.59 -0.85 1.06 0.00 0.00 176.91 176.79 2b1w n GLU 15 N -2.24 1.47 0.00 1.72 0.28 -1.26 -4.99 120.64 115.62 2b1w n GLU 15 Ca -0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2b1w n GLU 15 Cb 0.00 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.62 2b1w n GLU 15 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2b1w n SER 16 N -2.14 0.00 -3.91 -1.84 7.64 -1.26 -5.13 113.62 106.98 2b1w n SER 16 Ca -0.10 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 2b1w n SER 16 Cb 0.58 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 2b1w n SER 16 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2b1w s HIS 17 N 0.00 0.10 0.47 1.43 3.76 -1.26 -4.72 115.29 115.07 2b1w s HIS 17 Ca 0.00 -0.22 0.14 0.00 -0.15 0.00 0.00 55.06 54.83 2b1w s HIS 17 Cb 0.00 -0.09 1.11 0.00 1.11 0.00 0.00 32.58 34.71 2b1w s HIS 17 CO 0.00 -0.21 2.07 -1.00 -0.85 0.00 0.00 174.74 174.74 2b1w h PRO 18 N 4.69 0.25 -0.19 8.40 0.13 -1.93 -1.99 132.00 141.35 2b1w h PRO 18 Ca -0.30 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2b1w h PRO 18 Cb 1.20 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2b1w h PRO 18 CO 0.41 0.16 -0.24 0.45 -0.23 0.00 0.00 178.00 178.56 2b1w h HIS 19 N 0.25 0.61 -0.82 1.56 3.86 -1.94 -2.18 115.15 116.50 2b1w h HIS 19 Ca 0.13 -0.20 0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2b1w h HIS 19 Cb 0.22 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.50 2b1w h HIS 19 CO -0.00 0.88 0.51 0.82 0.86 0.00 0.00 177.93 181.00 2b1w h ILE 20 N 0.17 1.04 -0.50 2.45 2.04 -1.72 -0.00 117.51 120.99 2b1w h ILE 20 Ca 0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2b1w h ILE 20 Cb 0.80 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2b1w h ILE 20 CO 0.06 0.17 0.02 1.56 0.00 0.00 0.00 178.15 179.95 2b1w h GLN 21 N 0.93 0.87 -0.35 2.37 7.50 -1.46 -3.02 115.11 121.95 2b1w h GLN 21 Ca 0.36 -0.27 -0.05 0.00 0.50 0.00 0.00 58.65 59.19 2b1w h GLN 21 Cb 0.15 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 2b1w h GLN 21 CO -0.17 0.90 0.04 1.37 -1.50 0.00 0.00 178.83 179.47 2b1w h LEU 22 N 0.74 0.57 -0.70 1.46 8.10 -0.54 -2.69 115.31 122.25 2b1w h LEU 22 Ca 0.14 -0.28 0.02 0.00 0.11 0.00 0.00 57.88 57.88 2b1w h LEU 22 Cb 0.50 -0.15 -0.04 0.00 -0.44 0.00 0.00 40.66 40.52 2b1w h LEU 22 CO 0.02 0.70 0.45 -0.07 -4.11 0.00 0.00 178.44 175.43 2b1w h LEU 23 N 0.41 0.75 -0.97 0.17 4.07 -1.04 -1.88 115.31 116.82 2b1w h LEU 23 Ca 0.10 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 2b1w h LEU 23 Cb 0.39 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2b1w h LEU 23 CO 0.01 0.53 -0.34 0.07 -1.08 0.00 0.00 178.44 177.62 2b1w h LYS 24 N 0.89 0.32 -0.52 1.13 5.09 -1.47 0.59 116.57 122.60 2b1w h LYS 24 Ca 0.27 -0.13 -0.06 0.00 0.09 0.00 0.00 60.65 60.82 2b1w h LYS 24 Cb -0.02 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.27 2b1w h LYS 24 CO -0.09 0.63 0.09 0.77 -2.09 0.00 0.00 179.45 178.75 2b1w h SER 25 N 0.27 0.78 -1.13 7.07 0.02 -1.01 -2.57 113.55 116.98 2b1w h SER 25 Ca 0.03 -0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.23 2b1w h SER 25 Cb 0.74 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 62.68 2b1w h SER 25 CO 0.06 0.79 -0.45 -0.46 -1.14 0.00 0.00 176.83 175.63 2b1w n ASN 26 N -4.25 5.38 0.20 3.07 2.04 -0.98 -4.86 115.26 115.87 2b1w n ASN 26 Ca 0.03 -3.75 -0.15 0.00 -0.44 0.00 0.00 54.58 50.27 2b1w n ASN 26 Cb 0.25 -0.51 -0.08 0.00 -2.53 0.00 0.00 39.78 36.91 2b1w n ASN 26 CO 0.00 0.00 0.00 0.08 -0.44 0.00 0.00 177.26 176.90 2b1w h ARG 27 N 2.35 -0.45 -0.33 -3.83 0.11 -0.45 -2.12 114.38 109.67 2b1w h ARG 27 Ca 0.39 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.50 2b1w h ARG 27 Cb 1.14 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 2b1w h ARG 27 CO 0.94 -0.24 0.21 1.05 0.10 0.00 0.00 179.97 182.02 2b1w h GLU 28 N -0.56 0.43 -0.29 0.08 4.11 -1.85 -1.74 114.58 114.76 2b1w h GLU 28 Ca -0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 2b1w h GLU 28 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2b1w h GLU 28 CO 0.08 0.29 0.08 1.25 0.07 0.00 0.00 179.01 180.78 2b1w h LEU 29 N 0.45 0.43 -0.96 3.06 5.85 -1.85 -2.89 115.31 119.40 2b1w h LEU 29 Ca 0.12 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 2b1w h LEU 29 Cb -0.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2b1w h LEU 29 CO -0.02 0.54 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.18 2b1w h LEU 30 N 0.30 0.30 -0.03 2.25 4.07 -0.77 -2.24 115.31 119.20 2b1w h LEU 30 Ca 0.09 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.95 2b1w h LEU 30 Cb 0.27 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2b1w h LEU 30 CO -0.00 0.65 -0.05 0.58 -1.08 0.00 0.00 178.44 178.54 2b1w h VAL 31 N 0.25 0.87 0.00 1.22 2.07 -1.16 -2.62 116.25 116.87 2b1w h VAL 31 Ca 0.03 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 2b1w h VAL 31 Cb 0.77 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2b1w h VAL 31 CO 0.06 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.12 2b1w h THR 32 N -0.07 1.26 -0.99 2.57 1.03 -1.48 -3.24 112.91 111.99 2b1w h THR 32 Ca 0.03 -1.87 0.34 0.00 -0.01 0.00 0.00 66.41 64.89 2b1w h THR 32 Cb 0.11 2.04 -0.18 0.00 -1.07 0.00 0.00 68.15 69.05 2b1w h THR 32 CO -0.07 0.51 0.25 1.41 -0.01 0.00 0.00 175.52 177.61 2b1w n HIS 33 N -3.74 0.86 0.12 0.00 -0.00 -0.85 -4.46 115.22 107.15 2b1w n HIS 33 Ca -0.01 1.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.89 2b1w n HIS 33 Cb 0.57 -1.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.17 2b1w n HIS 33 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2b1w n ILE 34 N -5.38 0.00 0.00 1.59 0.13 -1.26 -4.96 119.36 109.49 2b1w n ILE 34 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.95 2b1w n ILE 34 Cb 0.99 -0.17 0.00 0.00 -0.84 0.00 0.00 39.64 39.62 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2b1w n ARG 35 N -3.13 1.35 0.00 9.51 5.12 -1.25 -5.04 116.66 123.21 2b1w n ARG 35 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2b1w n ARG 35 Cb 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 2b1w n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2b1w n ASN 36 N -0.28 0.00 -0.37 0.55 5.15 -1.22 -4.69 115.26 114.40 2b1w n ASN 36 Ca 0.00 0.00 0.30 0.00 -0.60 0.00 0.00 54.58 54.28 2b1w n ASN 36 Cb 0.00 0.00 0.61 0.00 -0.53 0.00 0.00 39.78 39.86 2b1w n ASN 36 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2b1w h THR 37 N 0.00 0.36 0.00 -0.44 2.02 -1.95 0.19 112.91 113.09 2b1w h THR 37 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2b1w h THR 37 Cb 0.00 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2b1w h THR 37 CO 0.00 0.04 -0.16 1.56 0.37 0.00 0.00 175.52 177.32 2b1w h GLN 38 N 0.21 0.00 -0.03 6.66 1.08 -1.94 -2.89 115.11 118.20 2b1w h GLN 38 Ca 0.67 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.86 2b1w h GLN 38 Cb 2.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.49 2b1w h GLN 38 CO -0.27 0.16 -0.03 0.00 -0.95 0.00 0.00 178.83 177.75 2b1w h LEU 40 N -0.37 0.61 -0.46 0.00 8.10 -1.68 -2.89 115.31 118.61 2b1w h LEU 40 Ca 0.01 -0.34 -0.04 0.00 0.11 0.00 0.00 57.88 57.61 2b1w h LEU 40 Cb 0.52 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 2b1w h LEU 40 CO 0.01 1.07 0.14 -0.37 -4.11 0.00 0.00 178.44 175.17 2b1w h VAL 41 N 0.40 1.23 0.00 0.15 -1.51 -1.57 0.35 116.25 115.30 2b1w h VAL 41 Ca -0.00 -0.76 -0.05 0.00 -1.23 0.00 0.00 66.70 64.66 2b1w h VAL 41 Cb 1.15 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 2b1w h VAL 41 CO 0.11 0.27 -0.25 -0.78 -1.23 0.00 0.00 177.57 175.69 2b1w h ASP 42 N 0.61 0.00 0.04 4.19 3.58 -1.55 0.21 116.42 123.50 2b1w h ASP 42 Ca 0.15 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.42 2b1w h ASP 42 Cb 0.28 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2b1w h ASP 42 CO -0.00 0.25 -0.63 -1.13 -2.88 0.00 0.00 179.24 174.85 2b1w h ASN 43 N 0.00 0.65 0.59 2.28 -1.24 -1.14 -2.04 115.58 114.68 2b1w h ASN 43 Ca -0.00 -0.38 -0.20 0.00 0.71 0.00 0.00 56.30 56.42 2b1w h ASN 43 Cb 0.47 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2b1w h ASN 43 CO 0.03 1.12 -0.91 0.17 -1.29 0.00 0.00 177.43 176.55 2b1w h LEU 44 N 0.42 0.27 -0.91 0.34 8.10 0.61 0.36 115.31 124.50 2b1w h LEU 44 Ca -0.01 -0.23 0.03 0.00 0.11 0.00 0.00 57.88 57.78 2b1w h LEU 44 Cb 1.19 -0.08 -0.05 0.00 -0.44 0.00 0.00 40.66 41.28 2b1w h LEU 44 CO 0.12 1.04 0.60 0.25 -4.11 0.00 0.00 178.44 176.34 2b1w h LEU 45 N 0.11 1.00 -0.21 0.17 7.12 -0.62 0.51 115.31 123.39 2b1w h LEU 45 Ca -0.05 -0.01 -0.21 0.00 0.13 0.00 0.00 57.88 57.73 2b1w h LEU 45 Cb 1.55 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 41.45 2b1w h LEU 45 CO 0.14 0.70 -0.75 0.11 -0.13 0.00 0.00 178.44 178.51 2b1w h LYS 46 N 1.17 0.75 0.00 1.25 6.56 -0.51 -3.32 116.57 122.47 2b1w h LYS 46 Ca 0.36 -0.60 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 2b1w h LYS 46 Cb -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2b1w h LYS 46 CO -0.11 1.21 -1.28 0.09 -2.06 0.00 0.00 179.45 177.30 2b1w n ASN 47 N -3.93 0.78 -2.24 0.86 4.13 0.01 -4.99 115.26 109.88 2b1w n ASN 47 Ca -0.07 -0.55 -0.19 0.00 1.68 0.00 0.00 54.58 55.45 2b1w n ASN 47 Cb 0.73 1.36 -0.02 0.00 -1.54 0.00 0.00 39.78 40.30 2b1w n ASN 47 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2b1w n ASP 48 N -1.73 -5.47 0.00 6.41 2.03 0.18 -4.46 116.55 113.50 2b1w n ASP 48 Ca 0.01 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2b1w n ASP 48 Cb 0.37 -4.62 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 2b1w n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b1w n TYR 49 N -3.58 0.00 -0.80 -0.67 4.11 -1.25 -4.94 117.16 110.02 2b1w n TYR 49 Ca -0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.53 2b1w n TYR 49 Cb 0.67 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.91 2b1w n TYR 49 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2b1w n PHE 50 N -0.02 0.51 -3.01 -3.48 3.72 -1.26 -4.16 117.46 109.76 2b1w n PHE 50 Ca 0.00 -1.48 -0.17 0.00 -0.05 0.00 0.00 57.45 55.75 2b1w n PHE 50 Cb 0.00 -1.49 0.06 0.00 -0.94 0.00 0.00 39.48 37.11 2b1w n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2b1w n SER 51 N 3.01 1.84 -0.22 4.37 3.41 -1.26 -4.00 113.62 120.76 2b1w n SER 51 Ca 0.39 -2.35 0.28 0.00 -0.26 0.00 0.00 58.87 56.93 2b1w n SER 51 Cb 0.53 -0.39 0.68 0.00 -0.26 0.00 0.00 64.21 64.77 2b1w n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b1w h ALA 52 N 0.13 2.73 -0.04 7.33 0.00 -1.90 0.37 119.26 127.88 2b1w h ALA 52 Ca -0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2b1w h ALA 52 Cb 1.10 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b1w h ALA 52 CO 0.34 -1.02 -0.01 0.93 0.00 0.00 0.00 179.25 179.49 2b1w h GLU 53 N 0.10 0.07 -0.49 0.00 4.39 -1.93 0.59 114.58 117.31 2b1w h GLU 53 Ca 0.47 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.08 2b1w h GLU 53 Cb 1.69 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2b1w h GLU 53 CO -0.06 0.43 0.07 0.22 -1.16 0.00 0.00 179.01 178.50 2b1w h ASP 54 N -0.29 0.78 -0.21 1.42 3.58 -1.43 -2.61 116.42 117.66 2b1w h ASP 54 Ca 0.01 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.21 2b1w h ASP 54 Cb 0.40 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2b1w h ASP 54 CO 0.00 0.85 0.08 0.00 -2.88 0.00 0.00 179.24 177.30 2b1w h ALA 55 N 0.96 0.24 -0.74 -0.78 0.00 -0.27 -2.83 119.26 115.84 2b1w h ALA 55 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2b1w h ALA 55 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2b1w h ALA 55 CO 0.01 -0.33 0.40 1.49 0.00 0.00 0.00 179.25 180.82 2b1w h GLU 56 N 0.19 1.03 0.08 0.00 4.57 0.34 0.57 114.58 121.35 2b1w h GLU 56 Ca 0.09 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2b1w h GLU 56 Cb 0.04 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2b1w h GLU 56 CO -0.08 0.76 -0.04 0.82 -1.18 0.00 0.00 179.01 179.30 2b1w h ILE 57 N 1.01 1.11 -0.17 2.32 1.08 -1.37 -3.22 117.51 118.28 2b1w h ILE 57 Ca 0.26 -0.68 -0.18 0.00 -0.39 0.00 0.00 64.86 63.87 2b1w h ILE 57 Cb 0.04 1.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2b1w h ILE 57 CO -0.04 0.17 -0.63 0.58 -0.69 0.00 0.00 178.15 177.54 2b1w h VAL 58 N -0.41 1.32 -0.05 1.67 2.07 -1.44 -3.25 116.25 116.16 2b1w h VAL 58 Ca -0.01 -1.90 0.02 0.00 0.82 0.00 0.00 66.70 65.62 2b1w h VAL 58 Cb 0.35 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2b1w h VAL 58 CO 0.02 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.31 2b1w h ALA 60 N 1.82 2.39 0.00 0.00 0.00 -1.60 0.36 119.26 122.22 2b1w h ALA 60 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b1w h ALA 60 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b1w h ALA 60 CO -0.00 -1.06 -0.53 0.00 0.00 0.00 0.00 179.25 177.65 2b1w n PRO 62 N -3.67 1.34 -1.10 0.00 -0.02 -1.17 -5.00 135.00 125.39 2b1w n PRO 62 Ca -0.07 -0.61 0.14 0.00 -2.02 0.00 0.00 63.50 60.94 2b1w n PRO 62 Cb 0.28 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 2b1w n PRO 62 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2b1w n THR 63 N 0.16 0.00 -0.07 3.45 -2.24 0.11 -2.76 114.28 112.92 2b1w n THR 63 Ca 0.11 0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2b1w n THR 63 Cb 0.69 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 2b1w n THR 63 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2b1w h GLN 64 N -1.07 0.50 -0.90 -0.78 4.15 -1.93 -2.94 115.11 112.14 2b1w h GLN 64 Ca -0.00 -0.25 0.09 0.00 0.77 0.00 0.00 58.65 59.25 2b1w h GLN 64 Cb 1.26 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.88 2b1w h GLN 64 CO 0.02 0.82 0.58 -1.00 -1.93 0.00 0.00 178.83 177.32 2b1w h PRO 65 N 0.18 0.91 -0.13 -2.39 0.13 -1.93 0.74 132.00 129.51 2b1w h PRO 65 Ca 0.04 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 2b1w h PRO 65 Cb 0.71 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2b1w h PRO 65 CO 0.05 0.60 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.48 2b1w h ASP 66 N 0.94 0.38 -0.71 1.44 3.32 -1.57 -2.68 116.42 117.54 2b1w h ASP 66 Ca 0.41 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2b1w h ASP 66 Cb 0.34 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2b1w h ASP 66 CO -0.17 0.82 0.40 0.50 -1.72 0.00 0.00 179.24 179.07 2b1w h LYS 67 N 0.28 1.00 -0.30 3.56 1.63 -0.90 -1.45 116.57 120.39 2b1w h LYS 67 Ca 0.01 -0.11 -0.15 0.00 -0.85 0.00 0.00 60.65 59.55 2b1w h LYS 67 Cb 0.98 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2b1w h LYS 67 CO 0.08 0.73 -0.43 -0.39 -3.45 0.00 0.00 179.45 175.99 2b1w h VAL 68 N 1.01 1.29 -0.39 2.00 -1.51 -0.79 -2.34 116.25 115.52 2b1w h VAL 68 Ca 0.26 -1.62 0.02 0.00 -1.23 0.00 0.00 66.70 64.13 2b1w h VAL 68 Cb 0.02 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 2b1w h VAL 68 CO -0.04 0.52 0.26 0.08 -1.23 0.00 0.00 177.57 177.16 2b1w h ARG 69 N 0.61 0.44 -0.59 5.19 -0.00 -1.11 -0.76 114.38 118.17 2b1w h ARG 69 Ca 0.04 -0.03 0.02 0.00 -0.00 0.00 0.00 59.98 60.01 2b1w h ARG 69 Cb 0.99 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 30.83 2b1w h ARG 69 CO 0.09 0.29 0.37 -0.22 -0.00 0.00 0.00 179.97 180.51 2b1w h LYS 70 N 0.46 0.72 -0.36 0.08 3.11 -0.80 0.29 116.57 120.07 2b1w h LYS 70 Ca 0.15 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.84 2b1w h LYS 70 Cb 0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 2b1w h LYS 70 CO -0.03 0.48 -0.18 -0.84 -2.81 0.00 0.00 179.45 176.06 2b1w h ILE 71 N 0.74 1.28 -0.14 2.00 3.07 -0.66 -1.86 117.51 121.95 2b1w h ILE 71 Ca 0.23 -1.31 -0.09 0.00 1.55 0.00 0.00 64.86 65.25 2b1w h ILE 71 Cb -0.02 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 37.87 2b1w h ILE 71 CO -0.08 0.43 -0.30 -0.07 -1.05 0.00 0.00 178.15 177.08 2b1w h LEU 72 N 0.55 0.26 -0.26 0.16 -0.00 -1.19 -2.63 115.31 112.20 2b1w h LEU 72 Ca 0.08 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2b1w h LEU 72 Cb 0.73 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2b1w h LEU 72 CO 0.05 0.56 0.08 -0.78 -0.00 0.00 0.00 178.44 178.36 2b1w h ASP 73 N 0.23 0.38 0.68 -0.43 1.82 0.05 -1.01 116.42 118.14 2b1w h ASP 73 Ca 0.03 -0.21 -0.16 0.00 -0.39 0.00 0.00 57.03 56.31 2b1w h ASP 73 Cb 0.66 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 2b1w h ASP 73 CO 0.05 0.49 -0.74 -0.07 -1.61 0.00 0.00 179.24 177.35 2b1w h LEU 74 N 0.26 0.06 -0.51 2.28 4.07 -1.33 -3.13 115.31 117.01 2b1w h LEU 74 Ca 0.08 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 2b1w h LEU 74 Cb 0.24 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2b1w h LEU 74 CO -0.00 0.78 -0.32 1.62 -1.08 0.00 0.00 178.44 179.44 2b1w h VAL 75 N 0.03 1.28 -0.57 1.22 3.04 -1.30 -3.46 116.25 116.49 2b1w h VAL 75 Ca -0.01 -1.48 -0.24 0.00 -1.01 0.00 0.00 66.70 63.95 2b1w h VAL 75 Cb 1.31 1.31 -0.10 0.00 -2.01 0.00 0.00 31.29 31.81 2b1w h VAL 75 CO 0.10 0.50 -0.22 0.00 -1.01 0.00 0.00 177.57 176.94 2b1w n GLN 76 N -4.07 -1.61 0.00 4.17 6.02 -0.40 -4.38 117.38 117.12 2b1w n GLN 76 Ca -0.01 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2b1w n GLN 76 Cb 0.50 -5.30 0.00 0.00 1.02 0.00 0.00 30.24 26.47 2b1w n GLN 76 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2b1w n SER 77 N -1.13 0.00 0.06 1.08 3.41 -1.26 -4.93 113.62 110.86 2b1w n SER 77 Ca -0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.46 2b1w n SER 77 Cb 0.59 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2b1w h LYS 78 N 0.00 -0.18 -0.54 4.33 1.79 -1.92 -1.12 116.57 118.94 2b1w h LYS 78 Ca 0.00 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.59 2b1w h LYS 78 Cb 0.00 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.59 2b1w h LYS 78 CO 0.00 -0.12 -0.14 0.78 -1.08 0.00 0.00 179.45 178.90 2b1w h GLY 79 N -0.18 0.38 0.22 3.86 0.00 -1.86 0.42 103.07 105.90 2b1w h GLY 79 Ca -0.01 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.56 2b1w h GLY 79 CO 0.01 -0.20 -0.17 -2.09 0.00 0.00 0.00 176.54 174.08 2b1w h GLU 80 N -0.01 -0.14 -0.05 4.80 4.81 -1.70 0.27 114.58 122.57 2b1w h GLU 80 Ca 0.26 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 2b1w h GLU 80 Cb 0.40 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2b1w h GLU 80 CO -0.55 -0.09 -0.60 1.49 -0.73 0.00 0.00 179.01 178.52 2b1w h GLU 81 N -0.15 0.49 -0.15 1.92 4.81 -0.16 -3.14 114.58 118.20 2b1w h GLU 81 Ca 0.15 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 2b1w h GLU 81 Cb 0.38 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2b1w h GLU 81 CO -0.37 1.10 -0.54 -0.39 -0.73 0.00 0.00 179.01 178.08 2b1w h VAL 82 N 0.05 1.34 -0.12 0.32 -1.51 -0.02 0.82 116.25 117.13 2b1w h VAL 82 Ca -0.06 -1.80 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 2b1w h VAL 82 Cb 1.27 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 2b1w h VAL 82 CO 0.12 0.55 0.04 0.77 -1.23 0.00 0.00 177.57 177.82 2b1w h SER 83 N 0.33 0.17 -0.11 4.19 4.64 -0.53 0.43 113.55 122.67 2b1w h SER 83 Ca 0.01 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2b1w h SER 83 Cb 1.05 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2b1w h SER 83 CO 0.09 0.33 -0.03 1.05 -0.87 0.00 0.00 176.83 177.41 2b1w h GLU 84 N 0.01 0.22 -0.13 4.77 4.11 -1.49 -2.89 114.58 119.17 2b1w h GLU 84 Ca 0.04 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2b1w h GLU 84 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2b1w h GLU 84 CO -0.00 0.52 0.07 0.35 0.07 0.00 0.00 179.01 180.01 2b1w h PHE 85 N -0.10 0.17 -0.08 2.06 3.57 -0.72 0.94 116.94 122.78 2b1w h PHE 85 Ca 0.03 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 2b1w h PHE 85 Cb 0.43 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2b1w h PHE 85 CO 0.05 0.19 -0.36 0.35 -2.23 0.00 0.00 178.31 176.31 2b1w h PHE 86 N 0.11 0.52 -0.26 0.41 3.57 -1.01 0.00 116.94 120.28 2b1w h PHE 86 Ca 0.04 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 2b1w h PHE 86 Cb 0.07 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2b1w h PHE 86 CO -0.04 0.97 -0.15 1.25 -2.23 0.00 0.00 178.31 178.10 2b1w h LEU 87 N -0.07 0.43 -0.82 0.59 5.85 -1.49 -2.07 115.31 117.72 2b1w h LEU 87 Ca -0.02 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 2b1w h LEU 87 Cb 1.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2b1w h LEU 87 CO 0.07 0.61 -0.58 1.88 -0.34 0.00 0.00 178.44 180.09 2b1w h TYR 88 N 0.40 0.05 -0.47 1.25 0.05 -0.68 -0.78 116.97 116.80 2b1w h TYR 88 Ca 0.07 -0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.93 2b1w h TYR 88 Cb 0.51 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.15 2b1w h TYR 88 CO 0.01 0.61 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.56 2b1w h LEU 89 N 0.03 -0.40 -0.49 3.88 3.38 -0.25 0.68 115.31 122.13 2b1w h LEU 89 Ca -0.01 0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2b1w h LEU 89 Cb 1.03 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2b1w h LEU 89 CO 0.08 -0.14 -0.36 -0.07 0.09 0.00 0.00 178.44 178.04 2b1w h LEU 90 N 0.01 0.90 0.04 1.67 3.38 -1.50 -3.39 115.31 116.42 2b1w h LEU 90 Ca 0.23 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2b1w h LEU 90 Cb 0.34 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2b1w h LEU 90 CO -0.47 1.16 -0.02 -0.61 0.09 0.00 0.00 178.44 178.59 2b1w h GLN 91 N 0.70 -0.05 0.00 1.13 4.15 0.44 -3.48 115.11 118.00 2b1w h GLN 91 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2b1w h GLN 91 Cb 0.92 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.62 2b1w h GLN 91 CO 0.09 0.62 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 2b1w n GLN 92 N -4.75 0.00 0.05 1.69 10.64 0.22 -5.00 117.38 120.23 2b1w n GLN 92 Ca -0.08 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.96 2b1w n GLN 92 Cb 0.34 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.64 2b1w n GLN 92 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2b1w h LEU 93 N 0.00 -0.05 -0.63 2.61 -0.00 -1.79 0.17 115.31 115.62 2b1w h LEU 93 Ca 0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.69 2b1w h LEU 93 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2b1w h LEU 93 CO 0.00 0.07 0.04 0.00 -0.00 0.00 0.00 178.44 178.55 2b1w h ALA 94 N 0.77 0.84 0.01 1.53 0.00 -1.97 -1.66 119.26 118.78 2b1w h ALA 94 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2b1w h ALA 94 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b1w h ALA 94 CO 0.01 0.65 -0.11 0.22 0.00 0.00 0.00 179.25 180.03 2b1w h ASP 95 N 0.99 0.07 0.13 0.00 1.82 -1.95 -3.29 116.42 114.19 2b1w h ASP 95 Ca 0.18 -0.94 -0.19 0.00 -0.39 0.00 0.00 57.03 55.69 2b1w h ASP 95 Cb 0.52 -0.02 0.02 0.00 0.68 0.00 0.00 39.33 40.53 2b1w h ASP 95 CO 0.02 1.00 -0.84 0.00 -1.61 0.00 0.00 179.24 177.82 2b1w h ALA 96 N 0.06 -0.08 0.06 -0.78 0.00 -0.72 -2.99 119.26 114.83 2b1w h ALA 96 Ca -0.02 -0.69 -0.24 0.00 0.00 0.00 0.00 54.91 53.96 2b1w h ALA 96 Cb 1.03 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.94 2b1w h ALA 96 CO 0.02 0.40 -0.96 -0.92 0.00 0.00 0.00 179.25 177.79 2b1w h TYR 97 N -0.29 0.85 -0.44 0.00 3.20 -1.40 0.96 116.97 119.84 2b1w h TYR 97 Ca -0.14 -0.51 -0.09 0.00 3.14 0.00 0.00 58.73 61.13 2b1w h TYR 97 Cb 1.64 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 2b1w h TYR 97 CO 0.19 1.35 -0.08 0.28 -1.64 0.00 0.00 178.16 178.25 2b1w h VAL 98 N 0.11 1.25 0.00 1.81 2.07 -1.64 -2.39 116.25 117.47 2b1w h VAL 98 Ca -0.14 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2b1w h VAL 98 Cb 1.66 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2b1w h VAL 98 CO 0.19 0.38 0.00 0.44 0.02 0.00 0.00 177.57 178.60 2b1w h ASP 99 N 0.70 0.00 -0.96 0.57 5.19 -1.47 -3.25 116.42 117.21 2b1w h ASP 99 Ca 0.12 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.60 2b1w h ASP 99 Cb 0.55 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.99 2b1w h ASP 99 CO 0.03 0.00 0.61 0.25 -3.12 0.00 0.00 179.24 177.01 2b1w h LEU 100 N 0.00 0.98 0.07 1.55 7.12 -0.25 -0.64 115.31 124.14 2b1w h LEU 100 Ca 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 2b1w h LEU 100 Cb 0.71 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2b1w h LEU 100 CO 0.00 0.62 -0.03 0.03 -0.13 0.00 0.00 178.44 178.93 2b1w h ARG 101 N 1.11 -0.09 -0.87 1.25 3.08 -1.65 -2.42 114.38 114.79 2b1w h ARG 101 Ca 0.41 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.52 2b1w h ARG 101 Cb 0.16 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 2b1w h ARG 101 CO -0.17 0.22 0.57 -1.35 -1.07 0.00 0.00 179.97 178.16 2b1w h PRO 102 N -0.41 1.00 -0.08 0.04 0.11 -1.70 -3.07 132.00 127.88 2b1w h PRO 102 Ca -0.01 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2b1w h PRO 102 Cb 0.35 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 2b1w h PRO 102 CO 0.02 0.66 -0.08 -1.49 -0.21 0.00 0.00 178.00 176.90 2b1w h TRP 103 N 1.03 -0.20 -0.18 0.65 6.55 -0.84 -1.50 115.95 121.46 2b1w h TRP 103 Ca 0.36 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 60.17 2b1w h TRP 103 Cb 0.12 0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 2b1w h TRP 103 CO -0.00 -0.13 -0.09 1.37 -1.05 0.00 0.00 178.44 178.55 2b1w h LEU 104 N -0.10 0.27 -0.13 -4.49 8.10 -1.41 -1.89 115.31 115.66 2b1w h LEU 104 Ca 0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 2b1w h LEU 104 Cb 0.19 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.34 2b1w h LEU 104 CO -0.15 0.39 0.01 -0.07 -4.11 0.00 0.00 178.44 174.52 2b1w h LEU 105 N 0.27 0.21 -0.64 0.17 3.38 -1.31 -1.03 115.31 116.37 2b1w h LEU 105 Ca 0.06 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2b1w h LEU 105 Cb 0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2b1w h LEU 105 CO 0.02 0.44 0.14 -0.33 0.09 0.00 0.00 178.44 178.80 2b1w h GLU 106 N -0.03 1.03 0.00 1.13 5.08 -0.91 -2.51 114.58 118.38 2b1w h GLU 106 Ca 0.04 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2b1w h GLU 106 Cb 0.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2b1w h GLU 106 CO 0.00 0.94 0.00 -0.84 -1.00 0.00 0.00 179.01 178.11 2b1w h ILE 107 N 0.95 0.00 -0.68 3.13 -0.00 -1.37 -3.35 117.51 116.19 2b1w h ILE 107 Ca 0.20 -0.86 -0.04 0.00 -0.00 0.00 0.00 64.86 64.16 2b1w h ILE 107 Cb 0.38 1.85 -0.03 0.00 -0.00 0.00 0.00 36.82 39.02 2b1w h ILE 107 CO 0.01 0.00 0.26 1.23 -0.00 0.00 0.00 178.15 179.65 2b1w h GLY 108 N 4.00 1.07 -3.81 0.16 0.00 -0.71 -2.77 103.07 101.01 2b1w h GLY 108 Ca 0.00 -0.56 -0.44 0.00 0.00 0.00 0.00 47.33 46.32 2b1w h GLY 108 CO 0.00 0.53 0.54 1.97 0.00 0.00 0.00 176.54 179.58 2b1w n PHE 109 N -4.30 1.97 0.04 5.60 1.16 -1.25 -4.47 117.46 116.21 2b1w n PHE 109 Ca 0.06 -2.21 0.00 0.00 -1.87 0.00 0.00 57.45 53.43 2b1w n PHE 109 Cb 0.18 -1.14 0.00 0.00 -1.61 0.00 0.00 39.48 36.91 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32