#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s LYS 2 N 0.00 2.30 0.27 0.00 -2.85 -1.26 -4.64 119.74 113.56 2wwl s LYS 2 Ca 0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 55.97 54.75 2wwl s LYS 2 Cb 0.00 -2.15 0.43 0.00 -2.06 0.00 0.00 37.83 34.06 2wwl s LYS 2 CO 0.00 -1.20 1.57 1.96 0.10 0.00 0.00 175.35 177.77 2wwl h GLN 3 N -0.60 -0.00 0.10 1.78 7.50 -2.00 -0.99 115.11 120.90 2wwl h GLN 3 Ca -0.45 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.70 2wwl h GLN 3 Cb 1.31 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.84 2wwl h GLN 3 CO 0.61 -0.00 -0.06 0.77 -1.50 0.00 0.00 178.83 178.66 2wwl h SER 4 N -0.00 -0.14 -0.80 1.46 0.02 -2.00 -2.98 113.55 109.12 2wwl h SER 4 Ca 0.46 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.52 2wwl h SER 4 Cb 0.70 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 2wwl h SER 4 CO -0.99 -0.09 0.44 0.24 -1.14 0.00 0.00 176.83 175.29 2wwl h MET 5 N -0.15 0.70 -0.11 3.45 2.86 -1.54 -0.42 114.93 119.72 2wwl h MET 5 Ca -0.01 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2wwl h MET 5 Cb 0.12 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 2wwl h MET 5 CO 0.02 0.46 -0.46 -0.22 1.06 0.00 0.00 176.91 177.77 2wwl h LYS 6 N 0.72 -0.52 -0.55 1.72 3.64 -1.47 -2.82 116.57 117.29 2wwl h LYS 6 Ca 0.39 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.92 2wwl h LYS 6 Cb 0.39 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 2wwl h LYS 6 CO -0.26 -0.35 -0.11 0.00 -2.27 0.00 0.00 179.45 176.45 2wwl h ALA 7 N -0.05 0.39 -0.89 5.00 0.00 -0.92 -0.86 119.26 121.92 2wwl h ALA 7 Ca 0.06 0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.30 2wwl h ALA 7 Cb 0.66 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 2wwl h ALA 7 CO -0.40 -0.43 -0.42 0.00 0.00 0.00 0.00 179.25 178.00 2wwl h ARG 8 N 0.02 -0.05 -0.15 0.00 3.08 -1.18 -2.02 114.38 114.09 2wwl h ARG 8 Ca 0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 2wwl h ARG 8 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2wwl h ARG 8 CO -0.55 -0.03 -0.51 1.49 -1.07 0.00 0.00 179.97 179.30 2wwl h GLU 9 N -0.05 0.40 0.23 0.04 4.57 -1.17 -2.07 114.58 116.54 2wwl h GLU 9 Ca 0.28 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2wwl h GLU 9 Cb 0.56 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2wwl h GLU 9 CO -0.91 0.82 -0.27 0.28 -1.18 0.00 0.00 179.01 177.75 2wwl h VAL 10 N 0.31 0.42 0.00 0.32 2.07 -0.71 -0.06 116.25 118.60 2wwl h VAL 10 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2wwl h VAL 10 Cb 1.01 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2wwl h VAL 10 CO 0.09 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.13 2wwl h LYS 11 N -0.55 0.00 -0.08 1.57 3.64 -1.38 -0.84 116.57 118.93 2wwl h LYS 11 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2wwl h LYS 11 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2wwl h LYS 11 CO -0.08 0.04 -0.38 -0.09 -2.27 0.00 0.00 179.45 176.67 2wwl h ARG 12 N 0.00 0.17 0.00 1.90 2.43 -0.62 -1.71 114.38 116.55 2wwl h ARG 12 Ca -0.00 -0.08 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 2wwl h ARG 12 Cb 0.08 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2wwl h ARG 12 CO 0.01 0.54 -1.45 0.28 -1.51 0.00 0.00 179.97 177.83 2wwl h VAL 13 N 0.15 1.09 0.34 0.20 2.07 0.20 -1.71 116.25 118.60 2wwl h VAL 13 Ca 0.02 -2.87 -0.01 0.00 0.82 0.00 0.00 66.70 64.65 2wwl h VAL 13 Cb 0.75 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2wwl h VAL 13 CO 0.06 0.62 -0.24 0.00 0.02 0.00 0.00 177.57 178.03 2wwl h ALA 14 N 1.03 -0.56 0.00 1.67 0.00 -1.16 -3.22 119.26 117.02 2wwl h ALA 14 Ca -0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2wwl h ALA 14 Cb 1.90 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2wwl h ALA 14 CO 0.09 -0.83 -0.42 -0.07 0.00 0.00 0.00 179.25 178.02 2wwl h LEU 15 N -0.57 0.00 -1.80 0.00 3.38 -1.10 -1.61 115.31 113.61 2wwl h LEU 15 Ca -0.03 0.00 0.42 0.00 0.09 0.00 0.00 57.88 58.36 2wwl h LEU 15 Cb 0.48 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 2wwl h LEU 15 CO 0.01 0.42 1.00 0.00 0.09 0.00 0.00 178.44 179.96 2wwl h ALA 16 N 1.58 3.16 -0.09 1.53 0.00 -1.32 -0.64 119.26 123.47 2wwl h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wwl h ALA 16 Cb 0.92 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wwl h ALA 16 CO 0.06 -1.63 0.00 -0.25 0.00 0.00 0.00 179.25 177.43 2wwl n ASP 17 N -4.27 1.22 -0.06 0.00 9.92 -0.61 -0.69 116.55 122.07 2wwl n ASP 17 Ca 0.33 -1.56 0.04 0.00 -0.53 0.00 0.00 54.79 53.07 2wwl n ASP 17 Cb 1.46 -0.06 0.05 0.00 -0.64 0.00 0.00 41.12 41.94 2wwl n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2wwl n LYS 18 N 0.00 1.93 -0.24 -1.24 5.02 -0.26 -4.14 118.16 119.23 2wwl n LYS 18 Ca 0.17 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2wwl n LYS 18 Cb 0.27 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2wwl n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wwl n TYR 19 N -0.77 0.00 -2.72 2.13 4.01 -1.11 -4.98 117.16 113.72 2wwl n TYR 19 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2wwl n TYR 19 Cb 0.44 0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.53 2wwl n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2wwl s PHE 20 N 0.00 -0.76 0.00 -0.72 5.36 0.13 -4.37 117.98 117.62 2wwl s PHE 20 Ca 0.00 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2wwl s PHE 20 Cb 0.00 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 2wwl s PHE 20 CO 0.00 -0.60 0.00 0.00 -1.46 0.00 0.00 175.22 173.16 2wwl n ALA 21 N 2.80 0.31 -0.18 11.12 0.00 -1.26 -4.21 120.51 129.09 2wwl n ALA 21 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2wwl n ALA 21 Cb 0.62 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.16 2wwl n ALA 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wwl h LYS 22 N 0.00 0.98 0.00 0.00 2.10 -1.98 -3.24 116.57 114.43 2wwl h LYS 22 Ca 0.00 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2wwl h LYS 22 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 2wwl h LYS 22 CO 0.00 0.92 0.02 0.54 -2.00 0.00 0.00 179.45 178.93 2wwl n ARG 23 N -4.21 0.00 -0.08 0.07 3.00 -1.26 -3.22 116.66 110.96 2wwl n ARG 23 Ca 0.04 0.26 -0.07 0.00 -0.01 0.00 0.00 57.85 58.07 2wwl n ARG 23 Cb 0.30 -1.52 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 2wwl n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wwl n ALA 24 N -1.25 0.53 0.08 7.54 0.00 -1.22 -1.10 120.51 125.10 2wwl n ALA 24 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.00 2wwl n ALA 24 Cb 0.02 -0.05 0.40 0.00 0.00 0.00 0.00 19.45 19.82 2wwl n ALA 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wwl h GLU 25 N -1.00 0.34 0.14 0.00 3.07 -1.74 -2.26 114.58 113.14 2wwl h GLU 25 Ca -0.05 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2wwl h GLU 25 Cb 0.66 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2wwl h GLU 25 CO -0.03 0.37 -0.07 -0.07 -1.40 0.00 0.00 179.01 177.81 2wwl h LEU 26 N 0.34 -0.16 -1.16 1.33 3.38 -1.65 -2.82 115.31 114.57 2wwl h LEU 26 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2wwl h LEU 26 Cb 0.23 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2wwl h LEU 26 CO 0.01 0.12 0.49 0.50 0.09 0.00 0.00 178.44 179.65 2wwl h LYS 27 N -0.45 1.06 0.00 1.13 3.64 -0.66 -3.34 116.57 117.95 2wwl h LYS 27 Ca -0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2wwl h LYS 27 Cb 0.36 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wwl h LYS 27 CO 0.03 0.73 0.00 0.00 -2.27 0.00 0.00 179.45 177.94 2wwl n ALA 28 N -2.42 0.00 -0.29 5.00 0.00 -0.89 -4.61 120.51 117.30 2wwl n ALA 28 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2wwl n ALA 28 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 2wwl n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wwl h ILE 29 N 0.00 0.00 0.00 0.00 2.04 -1.72 -1.10 117.51 116.73 2wwl h ILE 29 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2wwl h ILE 29 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2wwl h ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.77 2wwl n ILE 30 N -4.82 0.00 -1.60 -0.67 5.41 -1.09 -3.16 119.36 113.44 2wwl n ILE 30 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2wwl n ILE 30 Cb 0.22 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 2wwl n ILE 30 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2wwl n SER 31 N 0.35 0.00 -3.30 4.38 7.64 -0.48 -4.94 113.62 117.26 2wwl n SER 31 Ca 0.00 -0.80 -0.06 0.00 1.01 0.00 0.00 58.87 59.03 2wwl n SER 31 Cb 0.05 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 2wwl n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwl s ASP 32 N 0.00 -0.04 -1.34 6.43 2.15 -0.82 -4.90 116.67 118.14 2wwl s ASP 32 Ca 0.00 -0.80 -0.08 0.00 0.43 0.00 0.00 52.55 52.10 2wwl s ASP 32 Cb 0.00 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 2wwl s ASP 32 CO 0.00 -1.26 1.14 0.52 -0.17 0.00 0.00 175.17 175.40 2wwl n VAL 33 N -0.59 -3.45 -0.21 1.11 0.31 -1.26 -4.63 118.33 109.61 2wwl n VAL 33 Ca -0.05 -0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.19 2wwl n VAL 33 Cb 0.60 -4.09 -0.00 0.00 -0.91 0.00 0.00 33.84 29.43 2wwl n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wwl n ASN 34 N -3.03 -1.12 0.00 4.52 3.02 -1.26 -5.10 115.26 112.29 2wwl n ASN 34 Ca -0.04 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2wwl n ASN 34 Cb 0.58 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2wwl n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwl n ALA 35 N -1.82 0.00 0.00 5.41 0.00 -1.26 -4.87 120.51 117.97 2wwl n ALA 35 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wwl n ALA 35 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2wwl n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wwl n ARG 40 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.09 116.66 113.31 2wwl n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wwl n ARG 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wwl n ARG 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2wwl n TRP 41 N 0.00 0.00 0.21 -0.14 2.14 -1.26 -4.93 117.44 113.45 2wwl n TRP 41 Ca 0.00 0.00 0.18 0.00 2.07 0.00 0.00 57.50 59.75 2wwl n TRP 41 Cb 0.00 0.00 0.78 0.00 -0.81 0.00 0.00 31.31 31.28 2wwl n TRP 41 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 2wwl h ASN 42 N 0.00 0.00 0.00 -0.67 4.21 -2.05 -2.16 115.58 114.91 2wwl h ASN 42 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wwl h ASN 42 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2wwl h ASN 42 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 2wwl n ALA 43 N -2.14 0.00 -0.28 -0.83 0.00 -1.26 -4.01 120.51 111.99 2wwl n ALA 43 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2wwl n ALA 43 Cb 0.50 0.11 0.23 0.00 0.00 0.00 0.00 19.45 20.29 2wwl n ALA 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wwl n VAL 44 N -0.61 -0.33 0.00 0.00 3.14 -0.82 -3.08 118.33 116.62 2wwl n VAL 44 Ca 0.00 1.76 0.00 0.00 -2.96 0.00 0.00 64.34 63.14 2wwl n VAL 44 Cb 0.00 -2.56 0.00 0.00 -1.06 0.00 0.00 33.84 30.22 2wwl n VAL 44 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wwl n LEU 45 N -5.14 0.00 0.17 6.55 4.77 -1.20 -1.82 117.00 120.33 2wwl n LEU 45 Ca 0.19 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 2wwl n LEU 45 Cb 0.61 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.09 2wwl n LEU 45 CO -0.06 0.00 0.81 2.29 -1.33 0.00 0.00 177.39 179.10 2wwl n LYS 46 N -0.57 0.10 -0.03 3.23 2.85 -1.18 -1.64 118.16 120.92 2wwl n LYS 46 Ca 0.00 0.58 -0.01 0.00 -1.05 0.00 0.00 58.31 57.84 2wwl n LYS 46 Cb 0.00 -2.09 -0.00 0.00 -0.65 0.00 0.00 35.03 32.29 2wwl n LYS 46 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2wwl h LEU 47 N 0.00 0.00 -1.33 -5.58 3.38 -1.54 -3.39 115.31 106.85 2wwl h LEU 47 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 2wwl h LEU 47 Cb 0.54 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 2wwl h LEU 47 CO 0.00 0.28 0.68 1.56 0.09 0.00 0.00 178.44 181.05 2wwl h GLN 48 N -0.49 0.36 -1.98 1.13 4.20 -1.07 -2.94 115.11 114.32 2wwl h GLN 48 Ca 0.00 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.34 2wwl h GLN 48 Cb 0.06 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 27.63 2wwl h GLN 48 CO 0.00 0.24 0.05 2.41 -0.67 0.00 0.00 178.83 180.86 2wwl n THR 49 N -4.66 3.13 -0.19 -0.54 -1.04 -0.65 -4.79 114.28 105.54 2wwl n THR 49 Ca 0.27 -2.24 -0.08 0.00 -2.04 0.00 0.00 64.05 59.96 2wwl n THR 49 Cb 0.94 -1.75 0.02 0.00 -1.82 0.00 0.00 70.33 67.71 2wwl n THR 49 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2wwl h LEU 50 N 4.31 0.74 0.00 -4.42 5.85 -1.75 -3.35 115.31 116.69 2wwl h LEU 50 Ca 0.29 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2wwl h LEU 50 Cb 1.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2wwl h LEU 50 CO 0.58 0.69 -1.41 -0.81 -0.34 0.00 0.00 178.44 177.14 2wwl n PRO 51 N -4.53 0.70 0.00 5.25 -0.04 -1.26 -5.02 135.00 130.10 2wwl n PRO 51 Ca 0.03 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2wwl n PRO 51 Cb 0.14 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2wwl n PRO 51 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wwl n ARG 52 N -2.62 0.00 0.00 0.54 0.63 -1.26 -4.91 116.66 109.04 2wwl n ARG 52 Ca -0.12 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.84 2wwl n ARG 52 Cb 0.65 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.57 2wwl n ARG 52 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wwl n ASP 53 N 0.00 1.23 -3.91 6.15 8.00 -1.26 -4.86 116.55 121.90 2wwl n ASP 53 Ca 0.00 -1.11 -0.20 0.00 0.71 0.00 0.00 54.79 54.19 2wwl n ASP 53 Cb 0.00 0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.16 2wwl n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wwl s SER 54 N -0.74 0.95 -0.27 -2.24 0.15 -1.26 -4.97 113.70 105.32 2wwl s SER 54 Ca 0.06 -0.14 -0.35 0.00 0.70 0.00 0.00 55.95 56.22 2wwl s SER 54 Cb 0.05 -0.44 0.16 0.00 -1.71 0.00 0.00 66.02 64.08 2wwl s SER 54 CO 0.11 -0.04 1.33 -0.55 1.20 0.00 0.00 173.24 175.29 2wwl s SER 55 N 0.81 -0.05 0.59 5.45 0.15 -1.26 -4.83 113.70 114.56 2wwl s SER 55 Ca -0.11 0.02 0.39 0.00 0.70 0.00 0.00 55.95 56.94 2wwl s SER 55 Cb -0.14 0.05 1.91 0.00 -1.71 0.00 0.00 66.02 66.13 2wwl s SER 55 CO 0.00 -0.08 2.16 -0.65 1.20 0.00 0.00 173.24 175.88 2wwl h PRO 56 N 2.02 0.00 0.24 5.44 0.11 -1.93 -1.01 132.00 136.88 2wwl h PRO 56 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2wwl h PRO 56 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wwl h PRO 56 CO 0.21 0.00 -0.12 0.77 -0.21 0.00 0.00 178.00 178.65 2wwl h SER 57 N 0.00 -0.28 0.05 -2.05 0.02 -2.02 -2.37 113.55 106.91 2wwl h SER 57 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2wwl h SER 57 Cb 0.21 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2wwl h SER 57 CO 0.00 -0.20 0.00 0.54 -1.14 0.00 0.00 176.83 176.03 2wwl n ARG 58 N -5.23 0.27 -2.78 3.45 5.12 -0.40 -4.72 116.66 112.38 2wwl n ARG 58 Ca -0.09 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 2wwl n ARG 58 Cb 0.15 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 2wwl n ARG 58 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2wwl s GLN 59 N -2.17 4.43 0.00 5.56 0.74 -0.89 -4.88 119.66 122.45 2wwl s GLN 59 Ca 0.14 1.26 0.26 0.00 0.05 0.00 0.00 55.36 57.06 2wwl s GLN 59 Cb 0.07 -3.52 0.60 0.00 1.10 0.00 0.00 33.01 31.26 2wwl s GLN 59 CO 0.13 -0.21 1.47 0.54 -0.55 0.00 0.00 175.29 176.67 2wwl n ARG 60 N 4.64 1.37 0.00 1.67 5.12 -1.26 -5.01 116.66 123.19 2wwl n ARG 60 Ca 0.06 -0.95 0.00 0.00 -1.93 0.00 0.00 57.85 55.03 2wwl n ARG 60 Cb 0.50 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 2wwl n ARG 60 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2wwl n ASN 61 N 0.01 0.00 -0.96 0.55 5.15 -1.26 -4.90 115.26 113.85 2wwl n ASN 61 Ca 0.14 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.22 2wwl n ASN 61 Cb 0.41 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 2wwl n ASN 61 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wwl n ARG 62 N 0.00 -1.48 -1.86 1.20 1.74 -1.26 -4.88 116.66 110.12 2wwl n ARG 62 Ca 0.00 0.97 -0.31 0.00 -0.77 0.00 0.00 57.85 57.74 2wwl n ARG 62 Cb 0.00 -1.80 0.02 0.00 -1.02 0.00 0.00 32.46 29.65 2wwl n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wwl n ARG 64 N -2.66 1.75 0.00 0.00 1.74 -1.26 -3.53 116.66 112.70 2wwl n ARG 64 Ca 0.07 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 2wwl n ARG 64 Cb 0.54 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2wwl n ARG 64 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2wwl n GLN 65 N 0.36 3.73 0.00 5.56 -0.06 -1.26 -4.93 117.38 120.78 2wwl n GLN 65 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 2wwl n GLN 65 Cb 0.33 -0.59 0.00 0.00 -4.06 0.00 0.00 30.24 25.92 2wwl n GLN 65 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2wwl n THR 66 N -0.40 0.00 -4.76 1.69 5.66 -1.26 -5.17 114.28 110.04 2wwl n THR 66 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wwl n THR 66 Cb 0.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 2wwl n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wwl n GLY 67 N 0.00 0.95 0.00 1.09 0.00 -1.23 -4.28 105.19 101.72 2wwl n GLY 67 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2wwl n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wwl n ARG 68 N 0.00 0.00 0.04 1.61 0.63 -1.26 -4.05 116.66 113.62 2wwl n ARG 68 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 2wwl n ARG 68 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 2wwl n ARG 68 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wwl n PRO 69 N 1.10 0.62 -1.75 -0.14 -0.04 -1.26 -4.17 135.00 129.36 2wwl n PRO 69 Ca 0.00 0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2wwl n PRO 69 Cb 0.00 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 31.72 2wwl n PRO 69 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2wwl s HIS 70 N -3.04 2.79 0.00 0.54 3.76 -1.26 -4.35 115.29 113.73 2wwl s HIS 70 Ca -0.03 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 2wwl s HIS 70 Cb 0.09 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.71 2wwl s HIS 70 CO 0.81 -1.47 0.00 0.41 -0.85 0.00 0.00 174.74 173.64 2wwl n GLY 71 N -0.93 0.81 3.87 -2.22 0.00 -1.26 -4.81 105.19 100.65 2wwl n GLY 71 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2wwl n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wwl s PHE 72 N -3.13 3.44 -0.44 1.61 5.36 -1.26 -1.65 117.98 121.92 2wwl s PHE 72 Ca 0.00 1.01 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 2wwl s PHE 72 Cb 0.00 -2.39 0.17 0.00 -0.34 0.00 0.00 43.02 40.46 2wwl s PHE 72 CO 0.00 0.03 0.45 -0.51 -1.46 0.00 0.00 175.22 173.74 2wwl s LEU 73 N -3.45 0.48 0.21 6.12 1.02 -0.69 -4.93 118.68 117.44 2wwl s LEU 73 Ca 0.50 -2.60 -0.13 0.00 0.02 0.00 0.00 54.13 51.93 2wwl s LEU 73 Cb -0.10 0.30 0.25 0.00 0.02 0.00 0.00 46.19 46.66 2wwl s LEU 73 CO 0.26 -0.14 1.64 -0.09 0.02 0.00 0.00 176.35 178.04 2wwl h ARG 74 N 5.53 0.04 -1.26 1.70 2.43 -1.96 -1.98 114.38 118.87 2wwl h ARG 74 Ca 0.20 -0.00 0.37 0.00 -0.81 0.00 0.00 59.98 59.73 2wwl h ARG 74 Cb 0.98 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 2wwl h ARG 74 CO 0.25 0.03 0.92 0.87 -1.51 0.00 0.00 179.97 180.53 2wwl h LYS 75 N 0.04 0.00 0.00 0.20 1.57 -1.95 -3.08 116.57 113.35 2wwl h LYS 75 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2wwl h LYS 75 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2wwl h LYS 75 CO -0.59 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.48 2wwl n PHE 76 N -4.12 0.00 -1.52 -1.35 3.01 -0.76 -5.03 117.46 107.69 2wwl n PHE 76 Ca 0.27 -0.14 -0.06 0.00 1.01 0.00 0.00 57.45 58.53 2wwl n PHE 76 Cb 1.34 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.77 2wwl n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wwl n GLY 77 N -0.14 0.57 3.23 1.37 0.00 -1.10 -5.02 105.19 104.10 2wwl n GLY 77 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2wwl n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwl s LEU 78 N -1.48 1.29 0.31 0.99 1.43 -1.20 -4.79 118.68 115.24 2wwl s LEU 78 Ca 0.00 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.53 2wwl s LEU 78 Cb 0.00 0.29 0.03 0.00 0.03 0.00 0.00 46.19 46.54 2wwl s LEU 78 CO 0.00 -0.81 0.72 -0.44 0.23 0.00 0.00 176.35 176.05 2wwl s SER 79 N -3.19 -0.14 0.00 2.29 0.01 -1.26 -1.71 113.70 109.69 2wwl s SER 79 Ca 0.38 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2wwl s SER 79 Cb 0.07 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.06 2wwl s SER 79 CO 0.12 -1.44 0.00 -1.14 0.41 0.00 0.00 173.24 171.19 2wwl n ARG 80 N -0.48 0.00 -0.33 12.44 0.63 -0.66 -2.02 116.66 126.25 2wwl n ARG 80 Ca -0.05 0.00 0.25 0.00 -0.92 0.00 0.00 57.85 57.13 2wwl n ARG 80 Cb 0.60 -0.30 0.48 0.00 0.45 0.00 0.00 32.46 33.68 2wwl n ARG 80 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2wwl h ILE 81 N 0.00 0.11 0.00 5.15 -0.00 -2.00 -3.00 117.51 117.77 2wwl h ILE 81 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2wwl h ILE 81 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.82 2wwl h ILE 81 CO 0.00 0.02 0.00 0.29 -0.00 0.00 0.00 178.15 178.46 2wwl n LYS 82 N -5.25 0.80 0.01 0.16 4.76 -0.86 -2.15 118.16 115.62 2wwl n LYS 82 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2wwl n LYS 82 Cb 1.06 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 2wwl n LYS 82 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wwl n VAL 83 N 0.97 0.06 0.04 -0.18 0.31 -1.13 -4.33 118.33 114.06 2wwl n VAL 83 Ca 0.00 0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2wwl n VAL 83 Cb 0.40 -0.66 -0.09 0.00 -0.91 0.00 0.00 33.84 32.58 2wwl n VAL 83 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2wwl h ARG 84 N 0.00 -0.57 -0.29 5.55 3.08 -1.65 0.19 114.38 120.70 2wwl h ARG 84 Ca 0.00 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.12 2wwl h ARG 84 Cb 0.00 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2wwl h ARG 84 CO 0.00 -0.38 -0.23 0.93 -1.07 0.00 0.00 179.97 179.22 2wwl h GLU 85 N -0.59 -0.07 0.94 0.04 5.08 -1.77 -2.70 114.58 115.51 2wwl h GLU 85 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2wwl h GLU 85 Cb 0.64 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2wwl h GLU 85 CO -0.33 -0.05 -0.45 0.00 -1.00 0.00 0.00 179.01 177.18 2wwl h ALA 86 N -0.59 -1.30 -1.44 3.43 0.00 -1.66 -3.25 119.26 114.46 2wwl h ALA 86 Ca 0.05 -0.28 0.42 0.00 0.00 0.00 0.00 54.91 55.10 2wwl h ALA 86 Cb 0.20 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2wwl h ALA 86 CO -0.31 -1.21 1.03 0.00 0.00 0.00 0.00 179.25 178.77 2wwl h ALA 87 N -1.38 3.36 -0.06 0.00 0.00 -0.64 -1.80 119.26 118.74 2wwl h ALA 87 Ca -0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2wwl h ALA 87 Cb 0.97 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wwl h ALA 87 CO 0.21 -1.77 -0.33 0.52 0.00 0.00 0.00 179.25 177.88 2wwl h MET 88 N 0.00 0.32 0.00 0.00 2.07 -1.50 -1.71 114.93 114.12 2wwl h MET 88 Ca 0.68 -0.27 0.00 0.00 -2.07 0.00 0.00 59.70 58.04 2wwl h MET 88 Cb 2.74 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 32.53 2wwl h MET 88 CO -0.01 0.92 0.00 0.54 1.07 0.00 0.00 176.91 179.43 2wwl n ARG 89 N -4.42 0.06 -2.24 1.72 1.74 -1.08 -4.92 116.66 107.52 2wwl n ARG 89 Ca -0.09 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wwl n ARG 89 Cb 0.51 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2wwl n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wwl n GLY 90 N 0.29 0.77 0.13 -0.13 0.00 -0.64 -4.99 105.19 100.62 2wwl n GLY 90 Ca 0.04 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2wwl n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wwl n GLU 91 N -0.66 0.38 -4.57 1.61 1.02 -0.75 -4.76 120.64 112.91 2wwl n GLU 91 Ca 0.00 -0.26 -0.33 0.00 -0.02 0.00 0.00 57.16 56.55 2wwl n GLU 91 Cb 0.48 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.27 2wwl n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wwl s ILE 92 N -2.80 3.22 0.50 -3.67 1.01 -1.26 -4.91 121.20 113.29 2wwl s ILE 92 Ca 0.15 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 2wwl s ILE 92 Cb 0.18 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 2wwl s ILE 92 CO 0.67 0.50 1.05 -2.16 0.00 0.00 0.00 174.94 175.01 2wwl s PRO 93 N 0.54 3.71 0.00 2.79 0.04 -1.26 -4.19 135.00 136.63 2wwl s PRO 93 Ca -0.07 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2wwl s PRO 93 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wwl s PRO 93 CO 0.03 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2wwl n GLY 94 N -0.25 3.24 3.79 0.56 0.00 -1.26 -5.03 105.19 106.25 2wwl n GLY 94 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2wwl n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwl s LEU 95 N 0.00 4.20 0.04 0.99 1.43 -1.26 -5.05 118.68 119.03 2wwl s LEU 95 Ca 0.00 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 54.68 2wwl s LEU 95 Cb 0.00 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.14 2wwl s LEU 95 CO 0.00 -0.24 0.78 -1.59 0.23 0.00 0.00 176.35 175.54 2wwl s LYS 96 N -2.42 0.98 0.31 1.70 -2.85 -1.26 -5.05 119.74 111.15 2wwl s LYS 96 Ca 0.55 -0.29 -0.29 0.00 -1.00 0.00 0.00 55.97 54.93 2wwl s LYS 96 Cb -0.17 0.45 -0.11 0.00 -2.06 0.00 0.00 37.83 35.94 2wwl s LYS 96 CO 0.22 -0.41 1.53 0.15 0.10 0.00 0.00 175.35 176.94 2wwl s LYS 97 N -3.08 4.15 0.56 1.78 1.02 -1.26 -4.89 119.74 118.02 2wwl s LYS 97 Ca 0.02 2.52 -0.20 0.00 0.02 0.00 0.00 55.97 58.34 2wwl s LYS 97 Cb -0.01 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 2wwl s LYS 97 CO -0.08 -0.55 1.18 0.00 -0.92 0.00 0.00 175.35 174.97 2wwl s ALA 98 N -0.38 2.65 0.00 5.17 0.00 -1.26 -4.98 121.76 122.96 2wwl s ALA 98 Ca 0.59 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2wwl s ALA 98 Cb -0.46 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2wwl s ALA 98 CO 0.52 -0.98 0.00 0.43 0.00 0.00 0.00 175.76 175.73 2wwl n SER 99 N -1.36 0.00 -0.77 0.00 7.64 -1.26 -5.34 113.62 112.53 2wwl n SER 99 Ca 0.12 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.13 2wwl n SER 99 Cb 0.50 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.97 2wwl n SER 99 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36