#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w n ALA 13 N 0.00 1.60 -2.19 4.61 0.00 -1.26 -4.79 120.51 118.48 2b1w n ALA 13 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 2b1w n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b1w n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b1w n MET 14 N -2.52 4.10 -0.79 0.00 -0.00 -1.26 -4.61 117.12 112.04 2b1w n MET 14 Ca -0.00 -3.52 -0.10 0.00 -0.00 0.00 0.00 57.70 54.08 2b1w n MET 14 Cb 0.00 -2.78 0.18 0.00 -0.00 0.00 0.00 33.22 30.62 2b1w n MET 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2b1w n GLU 15 N 2.80 2.45 -1.01 3.17 1.02 -1.26 -4.33 120.64 123.49 2b1w n GLU 15 Ca 0.50 -2.14 -0.19 0.00 -0.02 0.00 0.00 57.16 55.31 2b1w n GLU 15 Cb 0.31 -1.89 0.15 0.00 -0.02 0.00 0.00 31.44 29.99 2b1w n GLU 15 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2b1w n SER 16 N -0.31 3.64 -2.99 1.62 7.64 -1.26 -4.90 113.62 117.06 2b1w n SER 16 Ca 0.35 -3.32 -0.10 0.00 1.01 0.00 0.00 58.87 56.81 2b1w n SER 16 Cb 1.20 -0.78 0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2b1w n SER 16 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2b1w n HIS 17 N -0.84 -2.27 -0.02 1.43 8.25 -1.26 -5.02 115.22 115.49 2b1w n HIS 17 Ca 0.49 0.81 -0.01 0.00 -0.26 0.00 0.00 57.72 58.75 2b1w n HIS 17 Cb 1.47 -3.89 -0.00 0.00 1.12 0.00 0.00 29.99 28.68 2b1w n HIS 17 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2b1w h PRO 18 N -0.63 0.00 -0.01 -0.41 0.13 -1.91 -3.36 132.00 125.82 2b1w h PRO 18 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2b1w h PRO 18 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2b1w h PRO 18 CO 0.36 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.58 2b1w h HIS 19 N -0.30 0.02 -0.75 1.56 3.86 -1.95 -2.78 115.15 114.80 2b1w h HIS 19 Ca 0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2b1w h HIS 19 Cb 0.13 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 2b1w h HIS 19 CO -0.06 0.24 0.50 -0.84 0.86 0.00 0.00 177.93 178.63 2b1w h ILE 20 N -0.20 1.11 -0.44 2.45 3.07 -1.89 0.41 117.51 122.01 2b1w h ILE 20 Ca 0.00 -0.31 -0.06 0.00 1.55 0.00 0.00 64.86 66.04 2b1w h ILE 20 Cb 0.23 0.12 -0.02 0.00 -0.27 0.00 0.00 36.82 36.88 2b1w h ILE 20 CO 0.00 0.17 0.04 1.56 -1.05 0.00 0.00 178.15 178.86 2b1w h GLN 21 N 0.91 0.76 -0.57 0.16 7.50 -1.64 0.61 115.11 122.83 2b1w h GLN 21 Ca 0.30 -0.22 -0.05 0.00 0.50 0.00 0.00 58.65 59.18 2b1w h GLN 21 Cb 0.07 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 2b1w h GLN 21 CO -0.09 0.80 0.17 1.25 -1.50 0.00 0.00 178.83 179.46 2b1w h LEU 22 N 0.61 0.83 -0.06 1.46 7.12 -1.18 -3.20 115.31 120.90 2b1w h LEU 22 Ca 0.13 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 2b1w h LEU 22 Cb 0.43 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2b1w h LEU 22 CO 0.02 0.83 0.03 0.25 -0.13 0.00 0.00 178.44 179.43 2b1w h LEU 23 N 0.80 0.07 -1.02 2.25 5.85 0.82 -1.92 115.31 122.16 2b1w h LEU 23 Ca 0.18 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2b1w h LEU 23 Cb 0.30 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2b1w h LEU 23 CO -0.00 0.14 -0.47 0.07 -0.34 0.00 0.00 178.44 177.84 2b1w h LYS 24 N 0.00 0.04 -0.05 1.25 -0.00 -1.06 -1.78 116.57 114.97 2b1w h LYS 24 Ca 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 60.65 60.66 2b1w h LYS 24 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.31 2b1w h LYS 24 CO -0.00 0.50 0.19 0.77 -0.00 0.00 0.00 179.45 180.91 2b1w h SER 25 N 0.03 0.00 -0.40 7.07 0.02 -1.34 0.23 113.55 119.16 2b1w h SER 25 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2b1w h SER 25 Cb 0.85 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.06 2b1w h SER 25 CO 0.06 0.00 -0.86 -0.46 -1.14 0.00 0.00 176.83 174.43 2b1w n ASN 26 N -3.17 2.83 -0.24 3.07 0.23 -0.88 -4.87 115.26 112.22 2b1w n ASN 26 Ca -0.01 -3.10 0.04 0.00 -0.53 0.00 0.00 54.58 50.98 2b1w n ASN 26 Cb 0.26 -0.41 0.17 0.00 -2.08 0.00 0.00 39.78 37.72 2b1w n ASN 26 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2b1w h ARG 27 N 1.87 0.36 -0.23 -3.83 0.11 0.30 0.29 114.38 113.25 2b1w h ARG 27 Ca 0.08 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 2b1w h ARG 27 Cb 1.41 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 2b1w h ARG 27 CO 0.36 0.24 0.03 1.05 0.10 0.00 0.00 179.97 181.75 2b1w h GLU 28 N 0.37 0.33 -0.29 0.08 4.11 -1.88 -1.76 114.58 115.54 2b1w h GLU 28 Ca 0.40 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.65 2b1w h GLU 28 Cb 0.62 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2b1w h GLU 28 CO -0.42 0.33 -0.36 1.25 0.07 0.00 0.00 179.01 179.88 2b1w h LEU 29 N 0.33 0.69 -0.19 3.06 5.85 -0.87 -2.41 115.31 121.78 2b1w h LEU 29 Ca 0.08 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2b1w h LEU 29 Cb 0.17 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2b1w h LEU 29 CO 0.00 0.98 0.10 -0.07 -0.34 0.00 0.00 178.44 179.12 2b1w h LEU 30 N 0.55 0.23 -0.61 2.25 4.07 -0.34 0.79 115.31 122.25 2b1w h LEU 30 Ca 0.05 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 2b1w h LEU 30 Cb 0.87 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 2b1w h LEU 30 CO 0.08 0.24 0.18 1.62 -1.08 0.00 0.00 178.44 179.48 2b1w h VAL 31 N 0.20 1.25 -0.00 1.22 3.04 -1.27 -1.81 116.25 118.88 2b1w h VAL 31 Ca 0.07 -0.85 -0.12 0.00 -1.01 0.00 0.00 66.70 64.79 2b1w h VAL 31 Cb 0.06 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 2b1w h VAL 31 CO -0.01 0.32 -0.56 0.00 -1.01 0.00 0.00 177.57 176.31 2b1w h THR 32 N 0.87 1.40 0.43 3.17 1.03 -1.42 -3.33 112.91 115.07 2b1w h THR 32 Ca 0.19 -1.93 -0.01 0.00 -0.01 0.00 0.00 66.41 64.66 2b1w h THR 32 Cb 0.30 2.04 -0.02 0.00 -1.07 0.00 0.00 68.15 69.40 2b1w h THR 32 CO -0.00 0.55 -0.41 0.45 -0.01 0.00 0.00 175.52 176.09 2b1w h HIS 33 N 0.00 -1.14 0.00 0.00 -0.00 0.05 -3.47 115.15 110.58 2b1w h HIS 33 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2b1w h HIS 33 Cb 0.99 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 28.85 2b1w h HIS 33 CO 0.00 -0.56 0.00 0.44 -0.00 0.00 0.00 177.93 177.81 2b1w n ILE 34 N -4.93 0.00 -0.07 2.45 -6.64 -1.09 -4.98 119.36 104.09 2b1w n ILE 34 Ca -0.10 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.82 2b1w n ILE 34 Cb 0.38 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.44 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2b1w n ARG 35 N 0.00 1.08 0.00 6.28 5.12 -1.26 -4.95 116.66 122.93 2b1w n ARG 35 Ca 0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2b1w n ARG 35 Cb 0.00 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 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 -2.56 0.00 0.33 0.55 2.85 -1.25 -4.57 115.26 110.60 2b1w n ASN 36 Ca -0.24 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.39 2b1w n ASN 36 Cb 0.97 0.00 0.86 0.00 1.24 0.00 0.00 39.78 42.85 2b1w n ASN 36 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2b1w h THR 37 N 0.00 0.00 -0.32 -0.44 1.35 -1.93 -1.56 112.91 110.01 2b1w h THR 37 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 2b1w h THR 37 Cb 0.00 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 2b1w h THR 37 CO 0.00 0.00 0.25 1.56 -0.25 0.00 0.00 175.52 177.08 2b1w h GLN 38 N 0.00 0.00 -0.16 4.72 1.08 -1.93 -1.04 115.11 117.79 2b1w h GLN 38 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2b1w h GLN 38 Cb 0.56 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2b1w h GLN 38 CO 0.00 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.82 2b1w h LEU 40 N -0.00 0.62 -0.12 0.00 8.10 -1.42 -1.84 115.31 120.65 2b1w h LEU 40 Ca 0.04 -0.32 -0.01 0.00 0.11 0.00 0.00 57.88 57.69 2b1w h LEU 40 Cb 0.52 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2b1w h LEU 40 CO 0.02 1.03 0.04 -0.37 -4.11 0.00 0.00 178.44 175.04 2b1w h VAL 41 N 0.44 1.19 0.00 0.15 -1.51 -1.37 0.69 116.25 115.84 2b1w h VAL 41 Ca 0.02 -0.57 -0.06 0.00 -1.23 0.00 0.00 66.70 64.85 2b1w h VAL 41 Cb 1.06 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2b1w h VAL 41 CO 0.10 0.17 -0.30 -0.78 -1.23 0.00 0.00 177.57 175.53 2b1w h ASP 42 N 0.01 0.00 -0.01 4.19 3.58 -1.56 0.21 116.42 122.84 2b1w h ASP 42 Ca 0.04 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2b1w h ASP 42 Cb 0.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2b1w h ASP 42 CO -0.00 0.30 -0.36 -1.13 -2.88 0.00 0.00 179.24 175.17 2b1w h ASN 43 N 0.00 0.52 -0.07 2.28 -1.24 -0.93 -2.86 115.58 113.28 2b1w h ASN 43 Ca -0.00 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.78 2b1w h ASN 43 Cb 0.61 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 2b1w h ASN 43 CO 0.04 0.84 -0.02 0.25 -1.29 0.00 0.00 177.43 177.25 2b1w h LEU 44 N 0.42 0.13 -1.47 0.34 7.12 0.22 0.16 115.31 122.24 2b1w h LEU 44 Ca 0.04 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.65 2b1w h LEU 44 Cb 0.82 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.91 2b1w h LEU 44 CO 0.07 0.47 -0.16 0.17 -0.13 0.00 0.00 178.44 178.86 2b1w h LEU 45 N -0.21 0.00 -0.07 2.25 -0.00 -1.09 1.23 115.31 117.43 2b1w h LEU 45 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.65 2b1w h LEU 45 Cb 0.42 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2b1w h LEU 45 CO 0.01 0.16 -0.94 0.11 -0.00 0.00 0.00 178.44 177.78 2b1w h LYS 46 N 0.00 0.74 0.00 0.17 6.56 -1.32 -3.36 116.57 119.36 2b1w h LYS 46 Ca -0.00 -0.71 0.00 0.00 -1.06 0.00 0.00 60.65 58.87 2b1w h LYS 46 Cb 0.57 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 2b1w h LYS 46 CO 0.02 1.30 -0.96 0.09 -2.06 0.00 0.00 179.45 177.84 2b1w n ASN 47 N -3.89 0.87 -1.68 0.86 4.13 0.03 -5.00 115.26 110.59 2b1w n ASN 47 Ca -0.10 -0.89 -0.16 0.00 1.68 0.00 0.00 54.58 55.12 2b1w n ASN 47 Cb 0.83 1.05 -0.02 0.00 -1.54 0.00 0.00 39.78 40.11 2b1w n ASN 47 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2b1w n ASP 48 N -1.49 -4.72 0.00 6.41 8.00 0.42 -4.54 116.55 120.63 2b1w n ASP 48 Ca 0.03 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2b1w n ASP 48 Cb 0.31 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 2b1w n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b1w n TYR 49 N -3.75 0.00 -0.77 1.24 4.11 -1.23 -4.99 117.16 111.76 2b1w n TYR 49 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.64 2b1w n TYR 49 Cb 0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.85 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 0.00 0.00 -1.92 -3.48 3.72 -1.26 -4.33 117.46 110.19 2b1w n PHE 50 Ca 0.00 -1.21 -0.27 0.00 -0.05 0.00 0.00 57.45 55.91 2b1w n PHE 50 Cb 0.00 -1.20 0.19 0.00 -0.94 0.00 0.00 39.48 37.53 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 2.28 0.17 -0.09 4.37 3.41 -1.26 -4.03 113.62 118.48 2b1w n SER 51 Ca 0.28 -1.50 0.21 0.00 -0.26 0.00 0.00 58.87 57.60 2b1w n SER 51 Cb 0.72 -0.94 0.65 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.72 2.49 -0.08 7.33 0.00 -1.89 0.29 119.26 125.67 2b1w h ALA 52 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2b1w h ALA 52 Cb 1.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2b1w h ALA 52 CO 0.29 -0.69 0.03 0.93 0.00 0.00 0.00 179.25 179.81 2b1w h GLU 53 N 0.10 0.13 -0.57 0.00 3.07 -1.92 0.74 114.58 116.13 2b1w h GLU 53 Ca 0.33 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 2b1w h GLU 53 Cb 1.15 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 2b1w h GLU 53 CO -0.04 0.29 -0.01 0.22 -1.40 0.00 0.00 179.01 178.08 2b1w h ASP 54 N -0.05 0.97 -0.87 1.42 3.58 -1.54 -2.50 116.42 117.44 2b1w h ASP 54 Ca 0.03 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2b1w h ASP 54 Cb 0.21 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 2b1w h ASP 54 CO -0.00 1.03 0.56 0.00 -2.88 0.00 0.00 179.24 177.95 2b1w h ALA 55 N 1.07 1.10 -0.92 -0.78 0.00 -0.25 -2.76 119.26 116.72 2b1w h ALA 55 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2b1w h ALA 55 Cb 0.54 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2b1w h ALA 55 CO 0.03 0.52 0.58 1.49 0.00 0.00 0.00 179.25 181.87 2b1w h GLU 56 N 1.18 1.24 0.13 0.00 4.81 0.94 0.42 114.58 123.30 2b1w h GLU 56 Ca 0.32 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2b1w h GLU 56 Cb -0.11 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.00 2b1w h GLU 56 CO -0.07 0.85 -0.06 0.82 -0.73 0.00 0.00 179.01 179.82 2b1w h ILE 57 N 1.27 0.90 -0.11 2.32 1.08 -1.24 -3.10 117.51 118.62 2b1w h ILE 57 Ca 0.33 -0.11 -0.15 0.00 -0.39 0.00 0.00 64.86 64.55 2b1w h ILE 57 Cb -0.09 0.97 0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2b1w h ILE 57 CO -0.07 0.03 -0.52 0.58 -0.69 0.00 0.00 178.15 177.48 2b1w h VAL 58 N -0.22 1.36 -0.05 1.67 2.07 -1.38 -3.30 116.25 116.39 2b1w h VAL 58 Ca -0.02 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.69 2b1w h VAL 58 Cb 0.18 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2b1w h VAL 58 CO 0.03 0.55 0.19 0.00 0.02 0.00 0.00 177.57 178.36 2b1w h ALA 60 N 1.67 2.55 0.00 0.00 0.00 -1.62 0.23 119.26 122.09 2b1w h ALA 60 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b1w h ALA 60 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2b1w h ALA 60 CO -0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 179.25 177.88 2b1w n PRO 62 N -2.90 1.72 -0.56 0.00 -0.02 -1.22 -5.01 135.00 127.02 2b1w n PRO 62 Ca -0.02 -0.58 0.08 0.00 -2.02 0.00 0.00 63.50 60.95 2b1w n PRO 62 Cb 0.07 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.12 0.00 -0.06 3.45 -2.24 0.81 -2.91 114.28 113.44 2b1w n THR 63 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2b1w n THR 63 Cb 0.43 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 2b1w n THR 63 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2b1w h GLN 64 N 0.00 0.33 -0.92 -0.78 4.20 -1.90 -2.79 115.11 113.25 2b1w h GLN 64 Ca 0.01 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.68 2b1w h GLN 64 Cb 0.51 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 2b1w h GLN 64 CO 0.00 0.62 0.59 -1.00 -0.67 0.00 0.00 178.83 178.37 2b1w h PRO 65 N 0.02 0.91 -0.24 1.46 0.13 -1.90 0.32 132.00 132.69 2b1w h PRO 65 Ca 0.04 -0.05 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 2b1w h PRO 65 Cb 0.50 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2b1w h PRO 65 CO 0.02 0.60 -0.62 -0.44 -0.23 0.00 0.00 178.00 177.33 2b1w h ASP 66 N 0.93 0.96 -0.92 1.44 5.19 -1.61 -2.99 116.42 119.43 2b1w h ASP 66 Ca 0.42 -0.56 0.05 0.00 -0.62 0.00 0.00 57.03 56.32 2b1w h ASP 66 Cb 0.38 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 2b1w h ASP 66 CO -0.18 1.36 0.60 0.50 -3.12 0.00 0.00 179.24 178.39 2b1w h LYS 67 N 0.62 1.06 -0.23 3.56 1.63 -0.75 -1.30 116.57 121.16 2b1w h LYS 67 Ca -0.01 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.63 2b1w h LYS 67 Cb 1.23 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2b1w h LYS 67 CO 0.13 0.70 -0.26 -0.39 -3.45 0.00 0.00 179.45 176.19 2b1w h VAL 68 N 1.09 1.32 -0.38 2.00 -1.51 -0.48 -2.11 116.25 116.18 2b1w h VAL 68 Ca 0.38 -1.43 0.01 0.00 -1.23 0.00 0.00 66.70 64.43 2b1w h VAL 68 Cb 0.13 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 2b1w h VAL 68 CO -0.14 0.45 0.25 0.08 -1.23 0.00 0.00 177.57 176.98 2b1w h ARG 69 N 0.28 0.46 -0.39 5.19 -0.00 -1.32 -0.45 114.38 118.16 2b1w h ARG 69 Ca 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.98 2b1w h ARG 69 Cb 0.82 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.67 2b1w h ARG 69 CO 0.06 0.30 0.22 -0.22 -0.00 0.00 0.00 179.97 180.33 2b1w h LYS 70 N 0.47 0.54 -0.28 0.08 3.11 -0.95 0.31 116.57 119.85 2b1w h LYS 70 Ca 0.15 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.79 2b1w h LYS 70 Cb 0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.13 2b1w h LYS 70 CO -0.03 0.43 -0.34 -0.84 -2.81 0.00 0.00 179.45 175.86 2b1w h ILE 71 N 0.50 1.30 -0.06 2.00 3.07 -0.59 -1.52 117.51 122.21 2b1w h ILE 71 Ca 0.14 -1.52 -0.08 0.00 1.55 0.00 0.00 64.86 64.95 2b1w h ILE 71 Cb 0.04 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 2b1w h ILE 71 CO -0.02 0.49 -0.32 -0.07 -1.05 0.00 0.00 178.15 177.17 2b1w h LEU 72 N 0.47 0.12 -0.74 0.16 -0.00 -1.08 -0.75 115.31 113.49 2b1w h LEU 72 Ca 0.04 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2b1w h LEU 72 Cb 0.92 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 2b1w h LEU 72 CO 0.08 0.44 0.11 -0.78 -0.00 0.00 0.00 178.44 178.29 2b1w h ASP 73 N 0.10 1.02 -0.19 -0.43 1.82 -0.06 0.26 116.42 118.95 2b1w h ASP 73 Ca 0.01 -0.23 -0.16 0.00 -0.39 0.00 0.00 57.03 56.26 2b1w h ASP 73 Cb 0.62 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2b1w h ASP 73 CO 0.05 1.01 -0.51 -0.07 -1.61 0.00 0.00 179.24 178.10 2b1w h LEU 74 N 1.00 0.77 -0.77 2.28 4.07 -0.98 -3.22 115.31 118.47 2b1w h LEU 74 Ca 0.20 -0.58 -0.07 0.00 0.08 0.00 0.00 57.88 57.51 2b1w h LEU 74 Cb 0.42 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 2b1w h LEU 74 CO 0.01 1.22 0.12 1.62 -1.08 0.00 0.00 178.44 180.33 2b1w h VAL 75 N 0.37 1.26 0.00 1.22 3.04 -0.96 -3.46 116.25 117.72 2b1w h VAL 75 Ca -0.01 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2b1w h VAL 75 Cb 1.13 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2b1w h VAL 75 CO 0.11 0.37 0.00 1.67 -1.01 0.00 0.00 177.57 178.71 2b1w n GLN 76 N -4.22 0.00 0.00 4.17 7.27 0.91 -4.23 117.38 121.27 2b1w n GLN 76 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2b1w n GLN 76 Cb 0.28 -0.11 0.00 0.00 2.41 0.00 0.00 30.24 32.82 2b1w n GLN 76 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2b1w n SER 77 N 1.13 0.00 0.33 1.69 2.88 -1.26 -4.60 113.62 113.79 2b1w n SER 77 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2b1w n SER 77 Cb 0.00 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2b1w h LYS 78 N 0.00 -0.91 -0.52 -1.46 6.56 -1.94 -0.20 116.57 118.11 2b1w h LYS 78 Ca 0.00 0.06 0.09 0.00 -1.06 0.00 0.00 60.65 59.74 2b1w h LYS 78 Cb 0.00 0.21 -0.07 0.00 -0.57 0.00 0.00 32.23 31.80 2b1w h LYS 78 CO 0.00 -0.61 0.13 0.78 -2.06 0.00 0.00 179.45 177.69 2b1w h GLY 79 N -0.94 0.65 0.45 3.86 0.00 -1.87 0.56 103.07 105.78 2b1w h GLY 79 Ca -0.08 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.26 2b1w h GLY 79 CO 0.06 -0.06 -0.09 -2.09 0.00 0.00 0.00 176.54 174.36 2b1w h GLU 80 N 0.27 -0.04 -0.21 4.80 4.81 -1.71 0.38 114.58 122.88 2b1w h GLU 80 Ca 0.26 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2b1w h GLU 80 Cb 0.34 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2b1w h GLU 80 CO -0.32 -0.03 -0.04 1.49 -0.73 0.00 0.00 179.01 179.38 2b1w h GLU 81 N -0.04 0.40 -0.06 1.92 4.81 0.44 -3.11 114.58 118.94 2b1w h GLU 81 Ca 0.12 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 2b1w h GLU 81 Cb 0.23 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2b1w h GLU 81 CO -0.27 0.64 -0.70 -0.39 -0.73 0.00 0.00 179.01 177.56 2b1w h VAL 82 N 0.13 1.41 -0.04 0.32 -1.51 0.15 -2.98 116.25 113.74 2b1w h VAL 82 Ca 0.05 -2.17 -0.00 0.00 -1.23 0.00 0.00 66.70 63.36 2b1w h VAL 82 Cb 0.49 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2b1w h VAL 82 CO 0.02 0.64 0.01 0.77 -1.23 0.00 0.00 177.57 177.78 2b1w h SER 83 N 0.19 0.05 -0.54 4.19 4.64 -0.18 0.45 113.55 122.36 2b1w h SER 83 Ca -0.02 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2b1w h SER 83 Cb 1.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2b1w h SER 83 CO 0.11 0.20 -0.02 1.05 -0.87 0.00 0.00 176.83 177.30 2b1w h GLU 84 N -0.11 0.99 -0.02 4.77 4.11 -1.64 0.12 114.58 122.81 2b1w h GLU 84 Ca 0.01 -0.31 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 2b1w h GLU 84 Cb 0.17 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2b1w h GLU 84 CO -0.00 0.99 0.01 0.35 0.07 0.00 0.00 179.01 180.42 2b1w h PHE 85 N 0.91 0.02 0.00 2.06 3.57 -1.33 -2.44 116.94 119.73 2b1w h PHE 85 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2b1w h PHE 85 Cb 0.56 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2b1w h PHE 85 CO 0.04 0.13 -0.07 0.74 -2.23 0.00 0.00 178.31 176.91 2b1w h PHE 86 N -0.09 0.07 -0.39 0.41 -1.00 0.10 0.72 116.94 116.76 2b1w h PHE 86 Ca 0.01 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 2b1w h PHE 86 Cb 0.11 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2b1w h PHE 86 CO -0.04 0.85 0.03 1.37 -1.61 0.00 0.00 178.31 178.91 2b1w h LEU 87 N -0.73 0.65 -0.35 1.54 8.10 -0.89 -2.96 115.31 120.67 2b1w h LEU 87 Ca -0.01 -0.29 -0.18 0.00 0.11 0.00 0.00 57.88 57.51 2b1w h LEU 87 Cb 0.87 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 2b1w h LEU 87 CO 0.01 0.78 -0.83 1.88 -4.11 0.00 0.00 178.44 176.17 2b1w h TYR 88 N 0.50 0.14 -0.83 0.17 0.05 -1.55 -2.78 116.97 112.67 2b1w h TYR 88 Ca 0.11 -0.08 0.14 0.00 0.05 0.00 0.00 58.73 58.96 2b1w h TYR 88 Cb 0.43 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.09 2b1w h TYR 88 CO 0.03 0.88 0.54 1.37 -1.05 0.00 0.00 178.16 179.93 2b1w h LEU 89 N 0.05 0.55 -0.50 3.88 8.10 -0.72 1.27 115.31 127.94 2b1w h LEU 89 Ca -0.02 0.03 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2b1w h LEU 89 Cb 1.45 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.57 2b1w h LEU 89 CO 0.12 0.29 0.02 0.25 -4.11 0.00 0.00 178.44 175.01 2b1w h LEU 90 N 0.59 0.85 0.02 0.17 7.12 -1.37 -3.35 115.31 119.34 2b1w h LEU 90 Ca 0.41 -0.29 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2b1w h LEU 90 Cb 0.74 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2b1w h LEU 90 CO -0.16 0.93 -0.01 -0.61 -0.13 0.00 0.00 178.44 178.46 2b1w h GLN 91 N 0.74 -0.03 0.00 1.25 5.75 -0.36 -3.48 115.11 118.98 2b1w h GLN 91 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2b1w h GLN 91 Cb 0.48 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2b1w h GLN 91 CO 0.02 0.70 0.00 0.00 -2.65 0.00 0.00 178.83 176.90 2b1w n GLN 92 N -4.72 0.00 0.19 1.69 10.64 0.40 -5.05 117.38 120.53 2b1w n GLN 92 Ca -0.09 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.92 2b1w n GLN 92 Cb 0.36 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.65 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 -1.37 -1.84 2.61 -0.00 -1.74 -1.66 115.31 111.31 2b1w h LEU 93 Ca 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2b1w h LEU 93 Cb 0.00 0.48 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2b1w h LEU 93 CO 0.00 -0.57 -0.03 0.00 -0.00 0.00 0.00 178.44 177.85 2b1w h ALA 94 N -0.81 1.87 0.07 1.53 0.00 -1.97 -2.25 119.26 117.69 2b1w h ALA 94 Ca -0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2b1w h ALA 94 Cb 0.75 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.53 2b1w h ALA 94 CO -0.16 0.10 -0.71 0.22 0.00 0.00 0.00 179.25 178.70 2b1w h ASP 95 N 0.07 0.51 0.00 0.00 3.58 -1.89 -3.34 116.42 115.35 2b1w h ASP 95 Ca 0.02 -0.85 -0.00 0.00 0.42 0.00 0.00 57.03 56.62 2b1w h ASP 95 Cb 0.09 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2b1w h ASP 95 CO 0.00 1.31 -0.02 0.00 -2.88 0.00 0.00 179.24 177.65 2b1w h ALA 96 N 0.21 0.00 0.00 -0.78 0.00 -1.15 -3.34 119.26 114.20 2b1w h ALA 96 Ca -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2b1w h ALA 96 Cb 1.47 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2b1w h ALA 96 CO 0.14 0.01 -0.04 -0.92 0.00 0.00 0.00 179.25 178.44 2b1w h TYR 97 N -1.00 0.00 -0.43 0.00 5.03 -1.60 -2.92 116.97 116.05 2b1w h TYR 97 Ca -0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 2b1w h TYR 97 Cb 0.72 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.98 2b1w h TYR 97 CO 0.19 0.93 -0.12 0.28 -1.32 0.00 0.00 178.16 178.13 2b1w h VAL 98 N -1.00 1.26 0.00 1.81 2.07 -1.74 -2.92 116.25 115.73 2b1w h VAL 98 Ca -0.01 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2b1w h VAL 98 Cb 0.93 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2b1w h VAL 98 CO -0.01 0.40 0.00 -0.67 0.02 0.00 0.00 177.57 177.32 2b1w n ASP 99 N -4.16 0.00 0.21 0.57 2.03 -1.25 -4.21 116.55 109.75 2b1w n ASP 99 Ca 0.01 0.37 0.10 0.00 0.52 0.00 0.00 54.79 55.80 2b1w n ASP 99 Cb 0.37 -0.45 0.56 0.00 -0.72 0.00 0.00 41.12 40.88 2b1w n ASP 99 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2b1w h LEU 100 N 0.00 0.00 0.19 -2.67 3.38 -1.31 -3.20 115.31 111.70 2b1w h LEU 100 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2b1w h LEU 100 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2b1w h LEU 100 CO 0.00 0.00 -0.21 0.03 0.09 0.00 0.00 178.44 178.35 2b1w h ARG 101 N 0.00 -0.43 -0.22 1.13 -0.00 -1.85 -1.14 114.38 111.87 2b1w h ARG 101 Ca 0.00 0.03 -0.07 0.00 -0.50 0.00 0.00 59.98 59.44 2b1w h ARG 101 Cb 0.47 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 2b1w h ARG 101 CO 0.00 -0.28 -0.16 -1.00 0.00 0.00 0.00 179.97 178.52 2b1w h PRO 102 N -0.44 0.38 0.06 0.04 0.13 -1.93 -3.35 132.00 126.88 2b1w h PRO 102 Ca 0.01 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2b1w h PRO 102 Cb 0.43 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.48 2b1w h PRO 102 CO -0.07 0.54 -0.24 -1.49 -0.23 0.00 0.00 178.00 176.51 2b1w h TRP 103 N 0.35 -0.65 -0.18 1.56 4.06 -1.33 0.44 115.95 120.21 2b1w h TRP 103 Ca 0.06 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.90 2b1w h TRP 103 Cb 0.50 0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 2b1w h TRP 103 CO 0.01 -0.34 -0.44 -0.07 -3.56 0.00 0.00 178.44 174.05 2b1w h LEU 104 N -0.41 0.45 -0.73 -4.49 4.07 -1.71 -3.02 115.31 109.47 2b1w h LEU 104 Ca 0.04 -0.21 -0.13 0.00 0.08 0.00 0.00 57.88 57.67 2b1w h LEU 104 Cb 0.46 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2b1w h LEU 104 CO -0.18 0.83 -0.50 -0.07 -1.08 0.00 0.00 178.44 177.45 2b1w h LEU 105 N 0.35 0.37 -0.54 1.67 -0.00 -1.36 -0.17 115.31 115.62 2b1w h LEU 105 Ca 0.03 -0.18 0.05 0.00 -0.00 0.00 0.00 57.88 57.78 2b1w h LEU 105 Cb 0.91 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.42 2b1w h LEU 105 CO 0.08 0.81 0.26 -0.33 -0.00 0.00 0.00 178.44 179.26 2b1w h GLU 106 N 0.27 0.49 0.00 1.13 5.08 -0.03 -2.83 114.58 118.69 2b1w h GLU 106 Ca 0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 2b1w h GLU 106 Cb 0.98 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 2b1w h GLU 106 CO 0.08 0.32 -1.75 0.44 -1.00 0.00 0.00 179.01 177.11 2b1w n ILE 107 N -4.89 1.11 0.00 3.13 -6.64 -1.22 -4.97 119.36 105.88 2b1w n ILE 107 Ca 0.06 -0.71 0.00 0.00 -1.77 0.00 0.00 62.75 60.32 2b1w n ILE 107 Cb 0.16 -0.60 0.00 0.00 -1.44 0.00 0.00 39.64 37.76 2b1w n ILE 107 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2b1w n GLY 108 N 1.47 2.53 3.47 3.28 0.00 -0.08 -4.92 105.19 110.95 2b1w n GLY 108 Ca -0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.39 2b1w n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b1w n PHE 109 N -1.85 1.56 -1.35 1.61 3.72 -1.26 -4.99 117.46 114.89 2b1w n PHE 109 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 2b1w n PHE 109 Cb 0.00 -2.55 0.00 0.00 -0.94 0.00 0.00 39.48 35.99 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14