#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 1.75 -2.64 4.61 0.00 -1.26 -4.77 120.51 118.21 2b1w n ALA 13 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 2b1w n ALA 13 Cb 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2b1w n ALA 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2b1w s MET 14 N -2.77 3.22 0.00 0.00 0.00 -1.26 -4.86 119.30 113.63 2b1w s MET 14 Ca -0.05 -0.57 0.20 0.00 0.00 0.00 0.00 55.69 55.27 2b1w s MET 14 Cb 0.08 -4.03 -0.14 0.00 0.00 0.00 0.00 34.83 30.75 2b1w s MET 14 CO 0.82 -1.17 0.89 0.39 0.00 0.00 0.00 175.02 175.95 2b1w n GLU 15 N 6.41 0.87 -3.66 4.11 1.02 -1.26 -4.86 120.64 123.27 2b1w n GLU 15 Ca -0.03 -0.32 -0.39 0.00 -0.02 0.00 0.00 57.16 56.40 2b1w n GLU 15 Cb 0.47 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 2b1w n GLU 15 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2b1w s SER 16 N -2.64 5.56 -0.41 1.62 0.01 -1.26 -4.98 113.70 111.59 2b1w s SER 16 Ca 0.11 -0.98 0.10 0.00 1.31 0.00 0.00 55.95 56.49 2b1w s SER 16 Cb 0.15 -1.97 0.33 0.00 0.21 0.00 0.00 66.02 64.75 2b1w s SER 16 CO 0.70 -0.34 0.73 0.00 0.41 0.00 0.00 173.24 174.74 2b1w n HIS 17 N 4.93 0.72 0.00 2.43 1.44 -1.26 -4.98 115.22 118.51 2b1w n HIS 17 Ca -0.12 -3.82 0.00 0.00 -2.01 0.00 0.00 57.72 51.77 2b1w n HIS 17 Cb 0.46 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.15 2b1w n HIS 17 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2b1w n PRO 18 N 0.40 0.00 0.00 -1.40 -0.04 -1.26 -4.13 135.00 128.57 2b1w n PRO 18 Ca 0.25 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 2b1w n PRO 18 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 2b1w n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b1w h HIS 19 N 0.00 0.74 -0.95 0.54 3.86 -1.96 -3.02 115.15 114.37 2b1w h HIS 19 Ca 0.00 -0.38 0.09 0.00 -1.16 0.00 0.00 60.37 58.92 2b1w h HIS 19 Cb 0.00 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 28.30 2b1w h HIS 19 CO 0.00 1.19 0.60 -0.84 0.86 0.00 0.00 177.93 179.74 2b1w h ILE 20 N 0.09 0.98 -0.06 2.45 3.07 -1.92 0.18 117.51 122.30 2b1w h ILE 20 Ca -0.07 -0.35 -0.03 0.00 1.55 0.00 0.00 64.86 65.96 2b1w h ILE 20 Cb 1.34 -0.12 -0.00 0.00 -0.27 0.00 0.00 36.82 37.78 2b1w h ILE 20 CO 0.13 0.18 -0.08 1.56 -1.05 0.00 0.00 178.15 178.89 2b1w h GLN 21 N 1.01 0.17 -0.24 0.16 7.50 -1.82 -2.92 115.11 118.97 2b1w h GLN 21 Ca 0.45 -0.10 -0.01 0.00 0.50 0.00 0.00 58.65 59.49 2b1w h GLN 21 Cb 0.33 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 2b1w h GLN 21 CO -0.22 0.64 0.11 1.37 -1.50 0.00 0.00 178.83 179.22 2b1w h LEU 22 N -0.29 0.32 -0.58 1.46 8.10 -1.23 -2.30 115.31 120.80 2b1w h LEU 22 Ca 0.01 -0.14 0.02 0.00 0.11 0.00 0.00 57.88 57.88 2b1w h LEU 22 Cb 0.62 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 2b1w h LEU 22 CO 0.02 0.37 0.36 -0.07 -4.11 0.00 0.00 178.44 175.01 2b1w h LEU 23 N 0.25 0.60 -0.86 0.17 4.07 -0.76 -1.92 115.31 116.86 2b1w h LEU 23 Ca 0.08 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 2b1w h LEU 23 Cb 0.14 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2b1w h LEU 23 CO -0.01 0.42 -0.36 0.07 -1.08 0.00 0.00 178.44 177.48 2b1w h LYS 24 N 0.72 0.41 -0.70 1.13 5.09 -1.45 0.11 116.57 121.89 2b1w h LYS 24 Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 60.65 60.77 2b1w h LYS 24 Cb -0.01 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 32.28 2b1w h LYS 24 CO -0.08 0.72 0.41 0.77 -2.09 0.00 0.00 179.45 179.18 2b1w h SER 25 N 0.35 0.85 -1.01 7.07 0.02 -0.78 -1.64 113.55 118.42 2b1w h SER 25 Ca 0.04 -0.07 -0.65 0.00 -0.84 0.00 0.00 61.79 60.27 2b1w h SER 25 Cb 0.80 -0.22 -0.33 0.00 0.14 0.00 0.00 62.40 62.80 2b1w h SER 25 CO 0.06 0.67 0.39 -0.46 -1.14 0.00 0.00 176.83 176.36 2b1w n ASN 26 N -4.53 6.88 0.00 3.07 6.94 -0.87 -4.78 115.26 121.98 2b1w n ASN 26 Ca 0.06 -3.78 -0.10 0.00 -0.02 0.00 0.00 54.58 50.74 2b1w n ASN 26 Cb 0.06 -0.80 -0.05 0.00 -2.36 0.00 0.00 39.78 36.64 2b1w n ASN 26 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2b1w h ARG 27 N 2.12 -0.03 -0.36 -3.83 0.11 0.25 -1.99 114.38 110.65 2b1w h ARG 27 Ca 0.54 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.63 2b1w h ARG 27 Cb 0.96 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.03 2b1w h ARG 27 CO 1.35 -0.02 0.24 0.93 0.10 0.00 0.00 179.97 182.57 2b1w h GLU 28 N -0.03 0.46 -0.36 0.08 5.08 -1.84 0.16 114.58 118.12 2b1w h GLU 28 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2b1w h GLU 28 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2b1w h GLU 28 CO -0.12 0.30 0.17 1.25 -1.00 0.00 0.00 179.01 179.61 2b1w h LEU 29 N 0.47 0.48 -0.72 1.33 5.85 -1.74 0.14 115.31 121.12 2b1w h LEU 29 Ca 0.14 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2b1w h LEU 29 Cb -0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2b1w h LEU 29 CO -0.03 0.48 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.06 2b1w h LEU 30 N 0.45 0.50 -0.04 2.25 4.07 -0.88 -0.38 115.31 121.28 2b1w h LEU 30 Ca 0.12 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.86 2b1w h LEU 30 Cb 0.14 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2b1w h LEU 30 CO -0.01 0.87 -0.00 0.58 -1.08 0.00 0.00 178.44 178.79 2b1w h VAL 31 N 0.39 0.97 0.00 1.22 2.07 -0.30 -2.64 116.25 117.95 2b1w h VAL 31 Ca 0.03 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2b1w h VAL 31 Cb 0.91 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2b1w h VAL 31 CO 0.08 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.30 2b1w h THR 32 N 0.01 0.96 -0.97 2.57 1.03 -0.65 -3.24 112.91 112.62 2b1w h THR 32 Ca 0.02 -1.43 0.31 0.00 -0.01 0.00 0.00 66.41 65.30 2b1w h THR 32 Cb 0.02 1.84 -0.17 0.00 -1.07 0.00 0.00 68.15 68.77 2b1w h THR 32 CO -0.03 0.36 0.25 0.45 -0.01 0.00 0.00 175.52 176.54 2b1w h HIS 33 N 0.00 0.34 0.00 0.00 -0.00 -0.67 -3.42 115.15 111.40 2b1w h HIS 33 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2b1w h HIS 33 Cb 0.81 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 2b1w h HIS 33 CO 0.00 -0.39 0.00 1.51 -0.00 0.00 0.00 177.93 179.05 2b1w n ILE 34 N -5.35 0.00 0.00 2.45 0.13 -1.24 -5.01 119.36 110.35 2b1w n ILE 34 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.93 2b1w n ILE 34 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.71 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 -2.41 0.00 -2.94 9.51 5.12 -1.22 -5.01 116.66 119.71 2b1w n ARG 35 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 2b1w n ARG 35 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 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 -2.52 -6.13 -0.07 0.55 5.15 -1.25 -4.86 115.26 106.13 2b1w n ASN 36 Ca 0.00 -0.26 -0.10 0.00 -0.60 0.00 0.00 54.58 53.63 2b1w n ASN 36 Cb 0.00 -4.96 -0.06 0.00 -0.53 0.00 0.00 39.78 34.23 2b1w n ASN 36 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2b1w n THR 37 N -4.47 0.77 0.24 -0.44 -1.04 -1.26 -4.62 114.28 103.47 2b1w n THR 37 Ca -0.13 -0.29 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 2b1w n THR 37 Cb 0.63 -1.02 0.61 0.00 -1.82 0.00 0.00 70.33 68.74 2b1w n THR 37 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2b1w h GLN 38 N -0.03 0.00 -0.09 -2.82 1.08 -1.92 -2.87 115.11 108.46 2b1w h GLN 38 Ca -0.30 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2b1w h GLN 38 Cb 1.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.89 2b1w h GLN 38 CO -0.06 0.13 0.01 0.00 -0.95 0.00 0.00 178.83 177.97 2b1w h LEU 40 N -0.09 0.66 -0.19 0.00 8.10 -1.78 -2.74 115.31 119.28 2b1w h LEU 40 Ca 0.03 -0.39 -0.01 0.00 0.11 0.00 0.00 57.88 57.61 2b1w h LEU 40 Cb 0.30 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2b1w h LEU 40 CO 0.00 1.14 0.07 -0.37 -4.11 0.00 0.00 178.44 175.17 2b1w h VAL 41 N 0.42 1.17 0.00 0.15 -1.51 -1.57 0.63 116.25 115.53 2b1w h VAL 41 Ca -0.01 -0.51 -0.06 0.00 -1.23 0.00 0.00 66.70 64.89 2b1w h VAL 41 Cb 1.22 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2b1w h VAL 41 CO 0.12 0.16 -0.29 -0.78 -1.23 0.00 0.00 177.57 175.55 2b1w h ASP 42 N 0.15 0.00 -0.35 4.19 3.58 -1.59 0.32 116.42 122.71 2b1w h ASP 42 Ca 0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2b1w h ASP 42 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2b1w h ASP 42 CO -0.00 0.29 0.12 -1.13 -2.88 0.00 0.00 179.24 175.64 2b1w h ASN 43 N 0.00 0.56 -0.06 2.28 -1.24 -1.11 0.31 115.58 116.33 2b1w h ASN 43 Ca -0.00 -0.08 -0.23 0.00 0.71 0.00 0.00 56.30 56.70 2b1w h ASN 43 Cb 0.53 -0.15 0.02 0.00 0.73 0.00 0.00 38.32 39.45 2b1w h ASN 43 CO 0.04 0.55 -0.85 0.25 -1.29 0.00 0.00 177.43 176.12 2b1w h LEU 44 N 0.61 0.85 -0.23 0.34 7.12 0.99 0.12 115.31 125.11 2b1w h LEU 44 Ca 0.14 -0.70 0.02 0.00 0.13 0.00 0.00 57.88 57.48 2b1w h LEU 44 Cb 0.20 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 2b1w h LEU 44 CO -0.01 1.43 0.07 0.25 -0.13 0.00 0.00 178.44 180.05 2b1w h LEU 45 N 0.35 0.07 -0.03 2.25 7.12 -0.06 0.35 115.31 125.34 2b1w h LEU 45 Ca -0.09 0.03 -0.26 0.00 0.13 0.00 0.00 57.88 57.69 2b1w h LEU 45 Cb 1.51 0.02 0.02 0.00 -0.53 0.00 0.00 40.66 41.68 2b1w h LEU 45 CO 0.17 0.07 -1.02 0.50 -0.13 0.00 0.00 178.44 178.03 2b1w h LYS 46 N 0.17 0.65 0.00 1.25 1.63 -0.37 -3.34 116.57 116.57 2b1w h LYS 46 Ca 0.10 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 2b1w h LYS 46 Cb 0.08 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2b1w h LYS 46 CO -0.11 1.29 -1.14 0.09 -3.45 0.00 0.00 179.45 176.13 2b1w n ASN 47 N -3.84 0.67 -1.63 4.20 3.02 0.03 -4.95 115.26 112.76 2b1w n ASN 47 Ca -0.10 -0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.75 2b1w n ASN 47 Cb 0.87 1.05 -0.02 0.00 -0.61 0.00 0.00 39.78 41.08 2b1w n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2b1w n ASP 48 N -1.76 -4.71 0.00 6.41 2.03 0.12 -4.89 116.55 113.74 2b1w n ASP 48 Ca 0.02 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2b1w n ASP 48 Cb 0.40 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.02 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 -3.65 0.00 -1.17 -0.67 4.11 -1.20 -4.99 117.16 109.59 2b1w n TYR 49 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.66 2b1w n TYR 49 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.92 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 -1.00 -3.48 3.72 -1.26 -3.64 117.46 111.80 2b1w n PHE 50 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2b1w n PHE 50 Cb 0.00 -1.70 0.24 0.00 -0.94 0.00 0.00 39.48 37.08 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 -0.32 -2.13 -0.25 4.37 3.41 -1.26 -4.43 113.62 113.01 2b1w n SER 51 Ca -0.06 -1.13 0.30 0.00 -0.26 0.00 0.00 58.87 57.72 2b1w n SER 51 Cb 0.35 -0.96 0.70 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.75 2.84 -0.02 7.33 0.00 -1.94 0.33 119.26 125.05 2b1w h ALA 52 Ca -0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2b1w h ALA 52 Cb 1.21 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2b1w h ALA 52 CO 0.26 -1.14 0.00 1.49 0.00 0.00 0.00 179.25 179.85 2b1w h GLU 53 N 0.06 0.04 -0.21 0.00 4.81 -1.98 0.53 114.58 117.83 2b1w h GLU 53 Ca 0.49 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2b1w h GLU 53 Cb 1.85 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 2b1w h GLU 53 CO -0.05 0.33 0.09 0.22 -0.73 0.00 0.00 179.01 178.88 2b1w h ASP 54 N -0.25 0.29 0.08 1.04 3.58 -1.38 -1.90 116.42 117.88 2b1w h ASP 54 Ca 0.01 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2b1w h ASP 54 Cb 0.31 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2b1w h ASP 54 CO 0.00 0.35 -0.04 0.00 -2.88 0.00 0.00 179.24 176.67 2b1w h ALA 55 N 0.95 -0.11 -0.07 -0.78 0.00 -0.40 -2.72 119.26 116.12 2b1w h ALA 55 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2b1w h ALA 55 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2b1w h ALA 55 CO -0.01 -0.54 -0.60 0.93 0.00 0.00 0.00 179.25 179.02 2b1w h GLU 56 N -0.15 0.25 -0.03 0.00 3.07 0.12 0.44 114.58 118.28 2b1w h GLU 56 Ca -0.01 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2b1w h GLU 56 Cb 0.12 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2b1w h GLU 56 CO 0.02 0.78 -0.02 0.82 -1.40 0.00 0.00 179.01 179.21 2b1w h ILE 57 N 0.18 1.33 -0.17 3.13 1.08 -1.36 -3.23 117.51 118.48 2b1w h ILE 57 Ca -0.01 -1.02 -0.16 0.00 -0.39 0.00 0.00 64.86 63.29 2b1w h ILE 57 Cb 1.11 1.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 2b1w h ILE 57 CO 0.09 0.27 -0.55 0.58 -0.69 0.00 0.00 178.15 177.85 2b1w h VAL 58 N -0.33 1.33 -0.12 1.67 2.07 -1.40 -3.21 116.25 116.25 2b1w h VAL 58 Ca 0.01 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.75 2b1w h VAL 58 Cb 0.45 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2b1w h VAL 58 CO 0.00 0.56 0.31 0.00 0.02 0.00 0.00 177.57 178.46 2b1w h ALA 60 N 1.49 2.09 0.00 0.00 0.00 -1.61 0.56 119.26 121.79 2b1w h ALA 60 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2b1w h ALA 60 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2b1w h ALA 60 CO -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 179.25 178.32 2b1w n PRO 62 N -2.54 2.08 -0.35 0.00 -0.05 -1.17 -5.02 135.00 127.94 2b1w n PRO 62 Ca -0.00 -1.19 0.05 0.00 -0.05 0.00 0.00 63.50 62.31 2b1w n PRO 62 Cb 0.01 -1.66 -0.01 0.00 -0.05 0.00 0.00 33.50 31.79 2b1w n PRO 62 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 2b1w n THR 63 N 0.09 0.00 0.05 0.52 5.66 0.19 -2.71 114.28 118.08 2b1w n THR 63 Ca 0.16 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.03 2b1w n THR 63 Cb 0.75 -0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 69.33 2b1w n THR 63 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2b1w h GLN 64 N 0.00 -0.11 -0.93 1.09 4.15 -1.89 -2.88 115.11 114.55 2b1w h GLN 64 Ca 0.01 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.52 2b1w h GLN 64 Cb 0.32 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.97 2b1w h GLN 64 CO 0.00 0.22 0.60 -1.35 -1.93 0.00 0.00 178.83 176.37 2b1w h PRO 65 N -0.45 0.94 -0.03 -2.39 0.11 -1.97 -0.51 132.00 127.71 2b1w h PRO 65 Ca -0.01 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 2b1w h PRO 65 Cb 0.38 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2b1w h PRO 65 CO 0.02 0.62 -0.61 -0.44 -0.21 0.00 0.00 178.00 177.38 2b1w h ASP 66 N 0.97 0.11 -0.91 -2.05 5.19 -1.57 -2.95 116.42 115.20 2b1w h ASP 66 Ca 0.42 -0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.83 2b1w h ASP 66 Cb 0.34 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 2b1w h ASP 66 CO -0.18 0.69 0.60 0.11 -3.12 0.00 0.00 179.24 177.33 2b1w h LYS 67 N 0.07 1.04 -0.33 3.56 1.79 -0.88 -0.29 116.57 121.53 2b1w h LYS 67 Ca -0.01 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 2b1w h LYS 67 Cb 1.09 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 2b1w h LYS 67 CO 0.08 0.69 -0.27 -0.39 -1.08 0.00 0.00 179.45 178.49 2b1w h VAL 68 N 1.07 1.28 -0.49 0.50 -1.51 -1.24 0.86 116.25 116.73 2b1w h VAL 68 Ca 0.38 -1.37 0.09 0.00 -1.23 0.00 0.00 66.70 64.57 2b1w h VAL 68 Cb 0.14 1.31 -0.07 0.00 -2.13 0.00 0.00 31.29 30.53 2b1w h VAL 68 CO -0.14 0.45 0.05 -0.09 -1.23 0.00 0.00 177.57 176.61 2b1w h ARG 69 N 0.59 0.16 -0.71 5.19 9.65 -1.15 -1.52 114.38 126.60 2b1w h ARG 69 Ca 0.08 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2b1w h ARG 69 Cb 0.76 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2b1w h ARG 69 CO 0.06 0.11 0.22 -0.22 2.80 0.00 0.00 179.97 182.94 2b1w h LYS 70 N 0.17 1.10 -0.33 0.20 3.11 -0.30 0.35 116.57 120.87 2b1w h LYS 70 Ca 0.25 -0.24 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 2b1w h LYS 70 Cb 0.35 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 2b1w h LYS 70 CO -0.37 0.95 -0.15 -0.84 -2.81 0.00 0.00 179.45 176.23 2b1w h ILE 71 N 1.04 1.29 -0.14 2.00 3.07 -0.47 -1.58 117.51 122.71 2b1w h ILE 71 Ca 0.23 -1.26 -0.09 0.00 1.55 0.00 0.00 64.86 65.29 2b1w h ILE 71 Cb 0.31 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.25 2b1w h ILE 71 CO -0.01 0.41 -0.29 -0.07 -1.05 0.00 0.00 178.15 177.14 2b1w h LEU 72 N 0.45 0.27 -0.37 0.16 4.07 -1.20 -2.87 115.31 115.82 2b1w h LEU 72 Ca 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2b1w h LEU 72 Cb 0.68 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 2b1w h LEU 72 CO 0.05 0.57 0.24 -0.78 -1.08 0.00 0.00 178.44 177.44 2b1w h ASP 73 N 0.24 0.42 0.57 -0.43 3.58 0.37 -0.44 116.42 120.74 2b1w h ASP 73 Ca 0.03 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 2b1w h ASP 73 Cb 0.65 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2b1w h ASP 73 CO 0.05 0.31 -0.81 -0.07 -2.88 0.00 0.00 179.24 175.84 2b1w h LEU 74 N 0.50 0.22 -0.42 2.28 4.07 -1.32 -3.24 115.31 117.39 2b1w h LEU 74 Ca 0.13 -0.17 -0.17 0.00 0.08 0.00 0.00 57.88 57.76 2b1w h LEU 74 Cb -0.05 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 2b1w h LEU 74 CO -0.03 0.94 -0.49 1.62 -1.08 0.00 0.00 178.44 179.40 2b1w h VAL 75 N 0.10 1.29 0.00 1.22 3.04 -1.26 -3.47 116.25 117.18 2b1w h VAL 75 Ca -0.03 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 2b1w h VAL 75 Cb 1.41 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2b1w h VAL 75 CO 0.12 0.54 0.00 0.00 -1.01 0.00 0.00 177.57 177.23 2b1w n GLN 76 N -4.01 0.00 0.00 4.17 6.02 -0.20 -4.29 117.38 119.07 2b1w n GLN 76 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2b1w n GLN 76 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2b1w n GLN 76 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2b1w n SER 77 N 2.05 0.00 0.13 1.08 7.64 -1.26 -4.56 113.62 118.70 2b1w n SER 77 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2b1w n SER 77 Cb 0.00 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b1w h LYS 78 N 0.00 -0.71 -0.50 1.43 1.79 -1.94 -1.04 116.57 115.59 2b1w h LYS 78 Ca 0.00 0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 2b1w h LYS 78 Cb 0.00 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2b1w h LYS 78 CO 0.00 -0.48 0.12 0.78 -1.08 0.00 0.00 179.45 178.79 2b1w h GLY 79 N -0.74 0.87 0.27 3.86 0.00 -1.87 0.29 103.07 105.75 2b1w h GLY 79 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.86 2b1w h GLY 79 CO -0.26 0.51 -0.06 -2.09 0.00 0.00 0.00 176.54 174.65 2b1w h GLU 80 N 0.70 0.04 -0.07 4.80 4.81 -1.70 0.14 114.58 123.29 2b1w h GLU 80 Ca 0.16 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 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 0.00 0.02 -0.44 1.49 -0.73 0.00 0.00 179.01 179.36 2b1w h GLU 81 N 0.04 0.42 -0.16 1.92 4.81 -0.60 -3.07 114.58 117.94 2b1w h GLU 81 Ca 0.19 -0.36 -0.16 0.00 -0.13 0.00 0.00 59.36 58.90 2b1w h GLU 81 Cb 0.29 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2b1w h GLU 81 CO -0.37 1.00 -0.56 -0.39 -0.73 0.00 0.00 179.01 177.96 2b1w h VAL 82 N -0.05 1.33 -0.21 0.32 -1.51 -0.31 -1.57 116.25 114.27 2b1w h VAL 82 Ca -0.04 -1.83 -0.02 0.00 -1.23 0.00 0.00 66.70 63.59 2b1w h VAL 82 Cb 1.10 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.07 2b1w h VAL 82 CO 0.09 0.56 0.06 0.28 -1.23 0.00 0.00 177.57 177.34 2b1w h SER 83 N 0.37 0.30 -0.24 4.19 0.02 -0.79 0.62 113.55 118.03 2b1w h SER 83 Ca 0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 2b1w h SER 83 Cb 1.09 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2b1w h SER 83 CO 0.10 0.43 -0.02 1.05 -1.14 0.00 0.00 176.83 177.25 2b1w h GLU 84 N 0.16 0.44 -0.18 3.45 4.11 -1.53 -2.90 114.58 118.13 2b1w h GLU 84 Ca 0.07 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2b1w h GLU 84 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2b1w h GLU 84 CO -0.00 0.63 0.09 0.35 0.07 0.00 0.00 179.01 180.15 2b1w h PHE 85 N 0.20 0.26 -0.01 2.06 3.57 -1.15 -0.96 116.94 120.90 2b1w h PHE 85 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2b1w h PHE 85 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2b1w h PHE 85 CO 0.04 0.28 -0.01 0.35 -2.23 0.00 0.00 178.31 176.74 2b1w h PHE 86 N 0.17 0.02 -0.47 0.41 3.04 -0.94 0.21 116.94 119.38 2b1w h PHE 86 Ca 0.06 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 2b1w h PHE 86 Cb 0.11 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2b1w h PHE 86 CO -0.03 0.47 -0.07 1.37 -2.02 0.00 0.00 178.31 178.04 2b1w h LEU 87 N -0.43 0.82 -0.31 0.59 8.10 -1.55 -2.87 115.31 119.67 2b1w h LEU 87 Ca 0.00 -0.23 -0.20 0.00 0.11 0.00 0.00 57.88 57.56 2b1w h LEU 87 Cb 0.47 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2b1w h LEU 87 CO 0.00 0.92 -0.78 1.88 -4.11 0.00 0.00 178.44 176.35 2b1w h TYR 88 N 0.76 0.69 -0.85 0.17 0.05 -1.14 0.74 116.97 117.39 2b1w h TYR 88 Ca 0.13 -0.32 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2b1w h TYR 88 Cb 0.56 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 2b1w h TYR 88 CO 0.03 1.10 0.56 1.37 -1.05 0.00 0.00 178.16 180.17 2b1w h LEU 89 N 0.33 0.90 -0.31 3.88 8.10 -0.39 0.93 115.31 128.75 2b1w h LEU 89 Ca -0.05 -0.01 -0.16 0.00 0.11 0.00 0.00 57.88 57.77 2b1w h LEU 89 Cb 1.38 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2b1w h LEU 89 CO 0.14 0.62 -0.45 -0.07 -4.11 0.00 0.00 178.44 174.57 2b1w h LEU 90 N 1.05 0.93 0.02 0.17 3.38 -1.47 -3.40 115.31 115.99 2b1w h LEU 90 Ca 0.34 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2b1w h LEU 90 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2b1w h LEU 90 CO -0.11 1.25 -0.01 -0.61 0.09 0.00 0.00 178.44 179.06 2b1w h GLN 91 N 0.64 -0.03 0.00 1.13 -0.00 0.12 -3.48 115.11 113.49 2b1w h GLN 91 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2b1w h GLN 91 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.53 2b1w h GLN 91 CO 0.10 0.70 0.00 0.00 0.00 0.00 0.00 178.83 179.64 2b1w n GLN 92 N -4.71 0.00 -0.13 1.69 10.64 0.30 -4.98 117.38 120.20 2b1w n GLN 92 Ca -0.08 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.04 2b1w n GLN 92 Cb 0.36 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.78 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 0.04 -0.08 2.61 -0.00 -1.76 0.22 115.31 116.34 2b1w h LEU 93 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2b1w h LEU 93 Cb 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2b1w h LEU 93 CO 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 178.44 178.52 2b1w h ALA 94 N 1.31 0.11 0.00 1.53 0.00 -1.96 -2.74 119.26 117.51 2b1w h ALA 94 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2b1w h ALA 94 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b1w h ALA 94 CO -0.25 -0.28 -0.21 0.22 0.00 0.00 0.00 179.25 178.73 2b1w h ASP 95 N -0.06 0.00 0.10 0.00 1.82 -1.92 -3.38 116.42 112.98 2b1w h ASP 95 Ca 0.03 -0.86 -0.14 0.00 -0.39 0.00 0.00 57.03 55.67 2b1w h ASP 95 Cb 0.22 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.24 2b1w h ASP 95 CO -0.00 1.05 -0.59 0.00 -1.61 0.00 0.00 179.24 178.09 2b1w h ALA 96 N -0.14 -0.06 -0.03 -0.78 0.00 -0.69 -3.22 119.26 114.34 2b1w h ALA 96 Ca -0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2b1w h ALA 96 Cb 0.99 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2b1w h ALA 96 CO -0.03 0.27 -0.05 -0.92 0.00 0.00 0.00 179.25 178.52 2b1w h TYR 97 N -0.53 0.11 0.00 0.00 5.03 -1.46 -2.83 116.97 117.29 2b1w h TYR 97 Ca -0.10 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.12 2b1w h TYR 97 Cb 1.46 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.71 2b1w h TYR 97 CO 0.22 0.62 -0.21 -0.39 -1.32 0.00 0.00 178.16 177.08 2b1w h VAL 98 N -0.43 0.85 0.00 1.81 -1.51 -1.74 -2.66 116.25 112.57 2b1w h VAL 98 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2b1w h VAL 98 Cb 0.61 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2b1w h VAL 98 CO 0.01 0.21 0.00 -0.67 -1.23 0.00 0.00 177.57 175.89 2b1w n ASP 99 N -3.85 0.44 -0.08 4.19 2.03 -1.08 -2.81 116.55 115.40 2b1w n ASP 99 Ca -0.02 0.59 0.11 0.00 0.52 0.00 0.00 54.79 55.99 2b1w n ASP 99 Cb 0.31 -0.69 0.48 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.40 0.24 -2.67 3.38 -1.37 -0.47 115.31 114.83 2b1w h LEU 100 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2b1w h LEU 100 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b1w h LEU 100 CO 0.00 0.25 -0.12 0.03 0.09 0.00 0.00 178.44 178.69 2b1w h ARG 101 N 0.45 -0.32 -0.87 1.13 2.47 -1.75 -1.83 114.38 113.66 2b1w h ARG 101 Ca 0.26 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2b1w h ARG 101 Cb 0.44 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 2b1w h ARG 101 CO -0.07 -0.03 0.55 -1.35 0.56 0.00 0.00 179.97 179.63 2b1w h PRO 102 N -0.60 1.16 -0.46 0.04 0.11 -1.73 -2.66 132.00 127.86 2b1w h PRO 102 Ca -0.03 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.03 2b1w h PRO 102 Cb 0.43 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 2b1w h PRO 102 CO 0.05 0.80 0.23 -1.49 -0.21 0.00 0.00 178.00 177.38 2b1w h TRP 103 N 1.19 0.42 -0.17 0.65 6.55 -0.93 0.23 115.95 123.90 2b1w h TRP 103 Ca 0.31 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 60.07 2b1w h TRP 103 Cb -0.09 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 2b1w h TRP 103 CO 0.00 0.21 -0.34 1.37 -1.05 0.00 0.00 178.44 178.63 2b1w h LEU 104 N 0.45 0.36 -0.60 -4.49 8.10 -1.25 -1.84 115.31 116.04 2b1w h LEU 104 Ca 0.20 -0.14 -0.12 0.00 0.11 0.00 0.00 57.88 57.93 2b1w h LEU 104 Cb 0.11 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 2b1w h LEU 104 CO -0.14 0.68 -0.21 -0.07 -4.11 0.00 0.00 178.44 174.59 2b1w h LEU 105 N 0.30 0.91 -0.73 0.17 3.38 -0.94 0.19 115.31 118.59 2b1w h LEU 105 Ca 0.04 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2b1w h LEU 105 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2b1w h LEU 105 CO 0.06 1.08 -0.32 -0.33 0.09 0.00 0.00 178.44 179.02 2b1w h GLU 106 N 0.77 0.61 0.00 1.13 5.08 -0.30 -2.53 114.58 119.35 2b1w h GLU 106 Ca 0.11 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 2b1w h GLU 106 Cb 0.75 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2b1w h GLU 106 CO 0.06 0.86 -0.58 0.82 -1.00 0.00 0.00 179.01 179.17 2b1w h ILE 107 N 0.52 1.06 -3.01 3.13 1.08 -1.17 -3.48 117.51 115.65 2b1w h ILE 107 Ca 0.06 -2.30 -0.28 0.00 -0.39 0.00 0.00 64.86 61.95 2b1w h ILE 107 Cb 0.81 2.39 0.03 0.00 -3.07 0.00 0.00 36.82 36.98 2b1w h ILE 107 CO 0.07 0.57 -0.41 0.61 -0.69 0.00 0.00 178.15 178.30 2b1w n GLY 108 N 0.98 -0.15 1.08 5.37 0.00 0.65 -4.90 105.19 108.22 2b1w n GLY 108 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2b1w n GLY 108 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2b1w n PHE 109 N -4.10 0.13 -0.72 1.61 7.35 -1.24 -5.07 117.46 115.43 2b1w n PHE 109 Ca -0.09 -1.13 0.00 0.00 -0.76 0.00 0.00 57.45 55.47 2b1w n PHE 109 Cb 0.59 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.21 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43