#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whc n SER 2 N 0.00 -6.51 -4.76 1.61 7.64 -1.26 -4.95 113.62 105.40 1whc n SER 2 Ca 0.00 1.31 -0.40 0.00 1.01 0.00 0.00 58.87 60.79 1whc n SER 2 Cb 0.00 -4.09 -0.06 0.00 -1.01 0.00 0.00 64.21 59.06 1whc n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whc s SER 3 N -0.45 7.45 0.00 6.43 0.01 -1.26 -5.05 113.70 120.83 1whc s SER 3 Ca -0.03 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1whc s SER 3 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1whc s SER 3 CO 0.09 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1whc n GLY 4 N 1.81 1.21 5.00 3.44 0.00 -1.26 -4.76 105.19 110.63 1whc n GLY 4 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1whc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whc n SER 5 N 0.00 0.00 -4.87 1.61 7.64 -1.26 -4.84 113.62 111.90 1whc n SER 5 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1whc n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1whc n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whc s SER 6 N 0.00 6.52 -0.00 6.43 1.04 -1.26 -4.98 113.70 121.44 1whc s SER 6 Ca 0.00 1.21 -0.30 0.00 0.48 0.00 0.00 55.95 57.34 1whc s SER 6 Cb 0.00 -2.35 -0.08 0.00 0.10 0.00 0.00 66.02 63.69 1whc s SER 6 CO 0.00 -0.45 1.94 -0.83 0.98 0.00 0.00 173.24 174.88 1whc s GLY 7 N -3.20 1.38 0.22 7.32 0.00 -1.26 -4.91 107.32 106.87 1whc s GLY 7 Ca 0.52 1.21 -0.17 0.00 0.00 0.00 0.00 44.72 46.28 1whc s GLY 7 CO 0.32 3.44 0.86 0.00 0.00 0.00 0.00 173.10 177.72 1whc n ALA 8 N 7.87 -2.17 -3.55 3.20 0.00 -1.26 -5.10 120.51 119.52 1whc n ALA 8 Ca 0.20 -0.99 -0.40 0.00 0.00 0.00 0.00 53.44 52.26 1whc n ALA 8 Cb 0.42 0.64 -0.05 0.00 0.00 0.00 0.00 19.45 20.45 1whc n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1whc s GLU 9 N -2.06 3.38 0.01 0.00 2.02 -1.26 -4.88 118.70 115.91 1whc s GLU 9 Ca 0.19 -3.01 -0.15 0.00 0.02 0.00 0.00 54.97 52.02 1whc s GLU 9 Cb -0.03 -4.11 -0.08 0.00 0.10 0.00 0.00 34.13 30.01 1whc s GLU 9 CO 0.07 -1.25 1.01 -0.07 0.02 0.00 0.00 175.26 175.04 1whc h LEU 10 N 6.59 -0.46 -7.97 1.80 4.07 -1.94 -3.48 115.31 113.92 1whc h LEU 10 Ca 0.12 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1whc h LEU 10 Cb 0.88 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.67 1whc h LEU 10 CO 0.84 -0.27 0.09 0.42 -1.08 0.00 0.00 178.44 178.44 1whc s THR 11 N -3.81 0.00 0.23 0.22 -4.23 -1.26 -4.99 115.64 101.81 1whc s THR 11 Ca -0.08 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1whc s THR 11 Cb 0.01 -1.94 0.20 0.00 1.34 0.00 0.00 72.50 72.10 1whc s THR 11 CO 0.24 -0.02 1.73 0.00 -0.54 0.00 0.00 174.62 176.02 1whc h ALA 12 N 2.11 0.95 0.20 3.99 0.00 -1.97 0.69 119.26 125.24 1whc h ALA 12 Ca -0.23 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1whc h ALA 12 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1whc h ALA 12 CO 0.30 -0.22 -0.10 1.25 0.00 0.00 0.00 179.25 180.49 1whc h LEU 13 N 0.41 -0.23 -0.91 0.00 7.12 -1.96 -2.99 115.31 116.76 1whc h LEU 13 Ca 0.38 0.01 0.15 0.00 0.13 0.00 0.00 57.88 58.54 1whc h LEU 13 Cb 0.55 0.06 -0.15 0.00 -0.53 0.00 0.00 40.66 40.59 1whc h LEU 13 CO -0.38 -0.13 -0.36 -0.33 -0.13 0.00 0.00 178.44 177.11 1whc h GLU 14 N -0.35 -0.03 -0.43 1.25 4.39 -1.89 -0.03 114.58 117.48 1whc h GLU 14 Ca -0.03 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1whc h GLU 14 Cb 0.21 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1whc h GLU 14 CO 0.05 -0.02 -0.26 0.45 -1.16 0.00 0.00 179.01 178.07 1whc n SER 15 N -5.48 -0.46 -0.13 1.42 2.88 0.24 0.48 113.62 112.57 1whc n SER 15 Ca 0.10 1.29 -0.04 0.00 -1.33 0.00 0.00 58.87 58.88 1whc n SER 15 Cb 0.40 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1whc n SER 15 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1whc h LEU 16 N 0.00 -0.31 -1.91 2.46 3.38 -0.93 0.55 115.31 118.54 1whc h LEU 16 Ca 0.07 0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.44 1whc h LEU 16 Cb 0.18 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1whc h LEU 16 CO -0.41 -0.11 0.72 0.40 0.09 0.00 0.00 178.44 179.13 1whc h ILE 17 N 0.04 0.51 -0.01 1.22 2.04 0.14 1.27 117.51 122.72 1whc h ILE 17 Ca 0.21 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.87 1whc h ILE 17 Cb 0.32 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1whc h ILE 17 CO -0.41 0.01 -0.79 -0.33 0.00 0.00 0.00 178.15 176.63 1whc h GLU 18 N 0.06 0.15 0.00 2.37 4.39 0.53 -2.97 114.58 119.11 1whc h GLU 18 Ca 0.49 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1whc h GLU 18 Cb 1.85 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1whc h GLU 18 CO -0.04 0.87 -0.01 0.52 -1.16 0.00 0.00 179.01 179.18 1whc h MET 19 N 0.09 0.00 0.00 2.33 2.86 0.25 -3.45 114.93 117.02 1whc h MET 19 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1whc h MET 19 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1whc h MET 19 CO 0.12 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1whc n GLY 20 N -0.53 1.89 3.75 8.32 0.00 -0.97 -5.11 105.19 112.54 1whc n GLY 20 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1whc n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whc s PHE 21 N -2.00 3.26 0.33 1.61 0.08 -1.13 -5.03 117.98 115.11 1whc s PHE 21 Ca 0.00 0.23 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 1whc s PHE 21 Cb 0.00 -1.77 -0.09 0.00 -0.57 0.00 0.00 43.02 40.58 1whc s PHE 21 CO 0.00 0.54 1.07 -1.25 -0.10 0.00 0.00 175.22 175.48 1whc s PRO 22 N -1.35 4.42 0.20 0.24 0.04 -1.26 -4.08 135.00 133.22 1whc s PRO 22 Ca 0.18 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1whc s PRO 22 Cb -0.12 -2.89 0.19 0.00 0.04 0.00 0.00 34.50 31.73 1whc s PRO 22 CO 0.08 0.06 1.60 -0.09 0.04 0.00 0.00 177.00 178.69 1whc h ARG 23 N 3.21 -0.09 -0.09 4.56 2.43 -1.97 0.11 114.38 122.53 1whc h ARG 23 Ca -0.47 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1whc h ARG 23 Cb 1.21 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1whc h ARG 23 CO 0.65 -0.06 -0.11 0.78 -1.51 0.00 0.00 179.97 179.71 1whc h GLY 24 N -0.10 -1.81 0.04 2.80 0.00 -1.97 0.99 103.07 103.02 1whc h GLY 24 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.45 1whc h GLY 24 CO -0.71 -0.64 -0.20 3.21 0.00 0.00 0.00 176.54 178.21 1whc h ARG 25 N -0.07 -0.27 -0.77 4.80 3.08 -1.78 1.48 114.38 120.86 1whc h ARG 25 Ca 0.02 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1whc h ARG 25 Cb 0.12 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 1whc h ARG 25 CO -0.13 -0.18 -0.45 0.00 -1.07 0.00 0.00 179.97 178.14 1whc n ALA 26 N -2.63 -0.49 0.13 0.04 0.00 0.31 0.18 120.51 118.05 1whc n ALA 26 Ca -0.03 0.65 -0.09 0.00 0.00 0.00 0.00 53.44 53.97 1whc n ALA 26 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1whc n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1whc h GLU 27 N 0.00 -0.46 -0.99 0.00 5.08 0.13 1.39 114.58 119.74 1whc h GLU 27 Ca 0.12 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.72 1whc h GLU 27 Cb 0.31 0.10 -0.19 0.00 0.50 0.00 0.00 28.75 29.48 1whc h GLU 27 CO -0.72 -0.31 -0.21 -0.22 -1.00 0.00 0.00 179.01 176.56 1whc h LYS 28 N -0.48 0.00 0.14 2.33 3.64 0.31 1.49 116.57 124.00 1whc h LYS 28 Ca -0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1whc h LYS 28 Cb 0.42 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1whc h LYS 28 CO -0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 177.07 1whc h ALA 29 N 1.99 -0.81 -1.76 5.00 0.00 0.24 0.23 119.26 124.14 1whc h ALA 29 Ca 0.49 -0.04 0.51 0.00 0.00 0.00 0.00 54.91 55.87 1whc h ALA 29 Cb 0.80 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1whc h ALA 29 CO -1.00 -0.80 1.32 -0.07 0.00 0.00 0.00 179.25 178.70 1whc h LEU 30 N -0.23 0.00 0.25 0.00 3.38 0.31 0.60 115.31 119.63 1whc h LEU 30 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1whc h LEU 30 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1whc h LEU 30 CO 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.44 1whc h ALA 31 N 1.02 -0.34 -0.52 1.53 0.00 0.23 1.37 119.26 122.55 1whc h ALA 31 Ca 0.83 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.74 1whc h ALA 31 Cb 3.46 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 21.28 1whc h ALA 31 CO -0.01 -0.32 -0.49 -0.07 0.00 0.00 0.00 179.25 178.37 1whc h LEU 32 N -1.07 -1.66 -0.64 0.00 3.38 0.35 0.17 115.31 115.84 1whc h LEU 32 Ca -0.03 0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1whc h LEU 32 Cb 0.26 0.72 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 1whc h LEU 32 CO 0.06 -0.36 0.03 0.71 0.09 0.00 0.00 178.44 178.97 1whc h THR 33 N -0.29 0.49 0.00 0.22 1.35 -1.02 -3.46 112.91 110.20 1whc h THR 33 Ca 0.13 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1whc h THR 33 Cb 0.57 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1whc h THR 33 CO -0.65 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.25 1whc n GLY 34 N -1.36 1.18 3.95 5.82 0.00 0.60 -4.73 105.19 110.64 1whc n GLY 34 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1whc n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whc n ASN 35 N 0.00 -4.27 -0.08 1.61 3.02 0.46 -4.89 115.26 111.11 1whc n ASN 35 Ca 0.00 -1.20 -0.20 0.00 -0.03 0.00 0.00 54.58 53.15 1whc n ASN 35 Cb 0.00 -2.28 -0.12 0.00 -0.61 0.00 0.00 39.78 36.77 1whc n ASN 35 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1whc h GLN 36 N -2.35 0.03 0.00 3.52 1.08 -1.85 -3.51 115.11 112.02 1whc h GLN 36 Ca -0.70 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 1whc h GLN 36 Cb 1.39 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1whc h GLN 36 CO 0.52 1.02 0.00 0.41 -0.95 0.00 0.00 178.83 179.83 1whc n GLY 37 N 1.51 -0.82 0.26 3.46 0.00 -1.26 -4.97 105.19 103.37 1whc n GLY 37 Ca -0.27 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1whc n GLY 37 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1whc h ILE 38 N 0.00 0.00 -0.38 -0.61 1.08 -1.99 -2.85 117.51 112.76 1whc h ILE 38 Ca 0.00 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1whc h ILE 38 Cb 0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.67 1whc h ILE 38 CO 0.00 0.00 -0.51 -0.33 -0.69 0.00 0.00 178.15 176.62 1whc h GLU 39 N -0.99 -0.38 -0.99 2.37 4.39 -1.97 0.34 114.58 117.35 1whc h GLU 39 Ca -0.06 0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.86 1whc h GLU 39 Cb 0.47 0.09 -0.19 0.00 -0.10 0.00 0.00 28.75 29.02 1whc h GLU 39 CO 0.10 -0.25 -0.24 0.00 -1.16 0.00 0.00 179.01 177.46 1whc h ALA 40 N 0.11 0.67 0.20 3.43 0.00 -1.94 0.52 119.26 122.26 1whc h ALA 40 Ca 0.10 0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1whc h ALA 40 Cb 0.60 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1whc h ALA 40 CO -0.57 -0.39 -0.10 0.00 0.00 0.00 0.00 179.25 178.19 1whc h ALA 41 N 1.99 -0.90 -1.73 0.00 0.00 -0.57 -2.75 119.26 115.30 1whc h ALA 41 Ca 0.48 -0.06 0.50 0.00 0.00 0.00 0.00 54.91 55.83 1whc h ALA 41 Cb 0.73 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1whc h ALA 41 CO -1.02 -0.88 1.31 -1.33 0.00 0.00 0.00 179.25 177.34 1whc n MET 42 N -2.85 0.00 0.29 0.00 2.00 0.93 0.14 117.12 117.63 1whc n MET 42 Ca -0.03 1.00 -0.16 0.00 0.00 0.00 0.00 57.70 58.51 1whc n MET 42 Cb 0.11 -2.34 -0.08 0.00 0.00 0.00 0.00 33.22 30.90 1whc n MET 42 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1whc h ASP 43 N 0.00 -0.60 0.31 7.83 3.58 0.29 1.49 116.42 129.31 1whc h ASP 43 Ca 0.82 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 58.26 1whc h ASP 43 Cb 3.43 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 44.62 1whc h ASP 43 CO -0.01 -0.37 -0.26 -0.25 -2.88 0.00 0.00 179.24 175.46 1whc h TRP 44 N -0.78 -0.69 -0.35 0.28 7.01 0.14 1.48 115.95 123.03 1whc h TRP 44 Ca -0.07 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.00 1whc h TRP 44 Cb 0.57 0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 27.83 1whc h TRP 44 CO -0.02 -0.39 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.07 1whc h LEU 45 N -0.58 -0.36 0.74 0.65 3.38 -1.27 1.35 115.31 119.22 1whc h LEU 45 Ca -0.02 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1whc h LEU 45 Cb 0.52 0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1whc h LEU 45 CO -0.03 -0.13 -0.35 0.24 0.09 0.00 0.00 178.44 178.26 1whc h MET 46 N -0.02 -0.95 -0.34 1.13 2.86 0.26 1.17 114.93 119.05 1whc h MET 46 Ca 0.17 0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.95 1whc h MET 46 Cb 0.28 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1whc h MET 46 CO -0.37 -0.63 0.24 1.49 1.06 0.00 0.00 176.91 178.70 1whc h GLU 47 N -1.02 0.09 -0.70 1.72 4.22 0.24 0.52 114.58 119.66 1whc h GLU 47 Ca -0.10 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1whc h GLU 47 Cb 0.76 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1whc h GLU 47 CO 0.17 0.06 0.00 0.72 -2.18 0.00 0.00 179.01 177.78 1whc n HIS 48 N -4.46 1.32 0.31 0.92 8.25 0.46 -4.38 115.22 117.65 1whc n HIS 48 Ca 0.05 -0.57 0.17 0.00 -0.26 0.00 0.00 57.72 57.11 1whc n HIS 48 Cb 0.35 -0.15 0.89 0.00 1.12 0.00 0.00 29.99 32.20 1whc n HIS 48 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1whc h GLU 49 N 4.27 0.00 -0.65 -0.41 -0.00 0.67 1.40 114.58 119.85 1whc h GLU 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1whc h GLU 49 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1whc h GLU 49 CO 0.15 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 175.69 1whc n ASP 50 N -2.83 4.53 -4.24 3.06 2.03 -1.26 -4.98 116.55 112.86 1whc n ASP 50 Ca -0.02 -2.42 -0.34 0.00 0.52 0.00 0.00 54.79 52.52 1whc n ASP 50 Cb 0.26 -0.57 0.11 0.00 -0.72 0.00 0.00 41.12 40.20 1whc n ASP 50 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1whc n ASP 51 N 1.06 -2.94 0.19 1.67 8.00 0.48 -4.86 116.55 120.14 1whc n ASP 51 Ca 0.24 0.09 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1whc n ASP 51 Cb 0.85 -0.94 0.27 0.00 -0.02 0.00 0.00 41.12 41.29 1whc n ASP 51 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1whc h PRO 52 N -1.58 0.00 -0.58 -0.24 0.13 -1.94 -3.42 132.00 124.37 1whc h PRO 52 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1whc h PRO 52 Cb 1.33 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 1whc h PRO 52 CO 0.32 0.33 -0.26 -0.51 -0.23 0.00 0.00 178.00 177.66 1whc s ASP 53 N -6.32 -0.90 -0.05 1.44 1.01 -1.26 -5.04 116.67 105.54 1whc s ASP 53 Ca 0.02 -0.37 -0.05 0.00 0.71 0.00 0.00 52.55 52.86 1whc s ASP 53 Cb 0.09 1.22 -0.03 0.00 1.01 0.00 0.00 42.92 45.20 1whc s ASP 53 CO 0.68 -0.11 -0.11 0.52 0.21 0.00 0.00 175.17 176.36 1whc n VAL 54 N 4.22 0.79 -1.80 -1.27 0.31 -1.26 -4.71 118.33 114.60 1whc n VAL 54 Ca 0.08 0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 64.11 1whc n VAL 54 Cb 0.60 -1.70 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 1whc n VAL 54 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1whc n ASP 55 N -3.55 7.17 -4.61 4.52 8.00 -1.26 -4.89 116.55 121.93 1whc n ASP 55 Ca -0.13 -3.30 -0.25 0.00 0.71 0.00 0.00 54.79 51.82 1whc n ASP 55 Cb 0.46 -1.25 -0.08 0.00 -0.02 0.00 0.00 41.12 40.23 1whc n ASP 55 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1whc s GLU 56 N -2.02 2.20 0.00 -1.24 0.41 -1.26 -5.14 118.70 111.64 1whc s GLU 56 Ca 0.55 -1.30 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 1whc s GLU 56 Cb 0.31 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1whc s GLU 56 CO -0.20 0.41 0.00 -0.35 -0.49 0.00 0.00 175.26 174.64 1whc n PRO 57 N -0.33 0.64 0.00 0.39 -0.04 -1.26 -5.08 135.00 129.33 1whc n PRO 57 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1whc n PRO 57 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1whc n PRO 57 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1whc n LEU 58 N 0.00 0.00 -4.15 1.53 -0.00 -1.26 -5.07 117.00 108.06 1whc n LEU 58 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1whc n LEU 58 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1whc n LEU 58 CO 0.00 0.00 -0.41 -0.55 -0.00 0.00 0.00 177.39 176.43 1whc s SER 59 N -1.43 1.29 0.00 1.45 0.15 -1.26 -5.09 113.70 108.81 1whc s SER 59 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1whc s SER 59 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1whc s SER 59 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1whc n GLY 60 N 0.79 0.94 3.16 9.45 0.00 -1.26 -4.95 105.19 113.32 1whc n GLY 60 Ca -0.18 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1whc n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whc n PRO 61 N 0.00 2.25 -3.93 1.61 -0.04 -1.26 -4.87 135.00 128.77 1whc n PRO 61 Ca 0.00 -2.45 -0.35 0.00 -0.04 0.00 0.00 63.50 60.66 1whc n PRO 61 Cb 0.00 -3.28 -0.14 0.00 -0.04 0.00 0.00 33.50 30.04 1whc n PRO 61 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1whc s SER 62 N 4.57 4.79 -0.24 3.54 0.01 -1.26 -5.06 113.70 120.04 1whc s SER 62 Ca 0.56 -1.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.28 1whc s SER 62 Cb 0.10 -1.69 0.17 0.00 0.21 0.00 0.00 66.02 64.80 1whc s SER 62 CO 0.05 -0.24 1.25 -0.55 0.41 0.00 0.00 173.24 174.16 1whc s SER 63 N 1.25 -0.13 0.00 2.44 0.15 -1.26 -5.16 113.70 110.99 1whc s SER 63 Ca -0.05 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1whc s SER 63 Cb -0.19 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1whc s SER 63 CO -0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.89