#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whc s SER 2 N 0.00 -0.80 -0.41 1.61 1.04 -1.26 -5.07 113.70 108.81 1whc s SER 2 Ca 0.00 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1whc s SER 2 Cb 0.00 1.20 0.15 0.00 0.10 0.00 0.00 66.02 67.47 1whc s SER 2 CO 0.00 -0.11 0.27 -0.55 0.98 0.00 0.00 173.24 173.83 1whc s SER 3 N 2.30 2.77 0.04 7.02 0.15 -1.26 -5.09 113.70 119.63 1whc s SER 3 Ca 0.18 -2.64 -0.14 0.00 0.70 0.00 0.00 55.95 54.04 1whc s SER 3 Cb -0.01 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.73 1whc s SER 3 CO -0.17 -0.25 0.67 0.61 1.20 0.00 0.00 173.24 175.31 1whc n GLY 4 N 3.46 0.63 3.40 9.45 0.00 -1.26 -5.15 105.19 115.72 1whc n GLY 4 Ca 0.17 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.83 -1.87 -4.92 1.61 7.64 -1.26 -4.96 113.62 109.04 1whc n SER 5 Ca 0.01 0.70 -0.26 0.00 1.01 0.00 0.00 58.87 60.33 1whc n SER 5 Cb 0.33 -1.07 0.07 0.00 -1.01 0.00 0.00 64.21 62.53 1whc n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whc s SER 6 N -1.13 4.86 0.34 6.43 0.01 -1.26 -5.11 113.70 117.84 1whc s SER 6 Ca 0.65 0.54 0.03 0.00 1.31 0.00 0.00 55.95 58.48 1whc s SER 6 Cb -0.46 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 1whc s SER 6 CO 0.58 -1.58 0.11 -0.83 0.41 0.00 0.00 173.24 171.93 1whc s GLY 7 N -4.50 2.20 -0.63 3.44 0.00 -1.26 -5.11 107.32 101.46 1whc s GLY 7 Ca 0.60 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 1whc s GLY 7 CO 0.45 -1.73 0.47 0.00 0.00 0.00 0.00 173.10 172.29 1whc s ALA 8 N -3.41 3.61 -0.20 3.20 0.00 -1.26 -4.86 121.76 118.85 1whc s ALA 8 Ca 0.32 -3.14 -0.18 0.00 0.00 0.00 0.00 51.96 48.97 1whc s ALA 8 Cb 0.06 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1whc s ALA 8 CO 0.15 -2.09 0.30 -0.85 0.00 0.00 0.00 175.76 173.27 1whc n GLU 9 N 3.81 -0.87 0.23 0.00 0.00 -1.26 -4.85 120.64 117.70 1whc n GLU 9 Ca 0.06 0.67 -0.09 0.00 0.00 0.00 0.00 57.16 57.80 1whc n GLU 9 Cb 0.40 -0.94 -0.04 0.00 0.00 0.00 0.00 31.44 30.86 1whc n GLU 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1whc h LEU 10 N 1.19 -0.50 -7.78 -1.84 4.07 -1.94 -3.48 115.31 105.02 1whc h LEU 10 Ca -0.26 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1whc h LEU 10 Cb 0.68 0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.47 1whc h LEU 10 CO 0.10 -0.33 0.08 0.42 -1.08 0.00 0.00 178.44 177.64 1whc s THR 11 N -4.06 0.01 0.52 0.22 -4.23 -1.26 -4.99 115.64 101.84 1whc s THR 11 Ca -0.09 -0.85 0.28 0.00 -1.18 0.00 0.00 61.69 59.85 1whc s THR 11 Cb 0.01 -1.73 0.45 0.00 1.34 0.00 0.00 72.50 72.57 1whc s THR 11 CO 0.26 -0.06 1.91 0.00 -0.54 0.00 0.00 174.62 176.19 1whc h ALA 12 N 2.13 2.66 0.04 3.99 0.00 -1.96 0.42 119.26 126.53 1whc h ALA 12 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1whc h ALA 12 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1whc h ALA 12 CO 0.33 -0.89 -0.02 1.25 0.00 0.00 0.00 179.25 179.92 1whc h LEU 13 N 0.07 -0.04 -0.85 0.00 7.12 -1.95 -3.18 115.31 116.48 1whc h LEU 13 Ca 0.39 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.57 1whc h LEU 13 Cb 1.45 0.01 -0.16 0.00 -0.53 0.00 0.00 40.66 41.43 1whc h LEU 13 CO -0.03 0.03 -0.20 -0.33 -0.13 0.00 0.00 178.44 177.77 1whc h GLU 14 N -0.17 0.00 -0.83 1.25 4.39 -1.83 0.48 114.58 117.87 1whc h GLU 14 Ca -0.01 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.86 1whc h GLU 14 Cb 0.04 -0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.53 1whc h GLU 14 CO 0.01 0.00 -0.18 1.03 -1.16 0.00 0.00 179.01 178.71 1whc h SER 15 N 0.00 -0.73 0.31 1.42 0.87 -0.29 0.49 113.55 115.62 1whc h SER 15 Ca 0.41 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 61.20 1whc h SER 15 Cb 0.63 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1whc h SER 15 CO -0.87 -0.27 -0.15 -0.07 -0.53 0.00 0.00 176.83 174.94 1whc h LEU 16 N 0.01 -0.35 -1.76 2.23 3.38 -0.05 -1.01 115.31 117.75 1whc h LEU 16 Ca 0.40 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.64 1whc h LEU 16 Cb 0.63 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1whc h LEU 16 CO -0.84 -0.25 0.66 0.40 0.09 0.00 0.00 178.44 178.50 1whc h ILE 17 N -0.43 0.57 -0.30 1.22 2.04 0.32 0.61 117.51 121.54 1whc h ILE 17 Ca -0.04 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 1whc h ILE 17 Cb 0.33 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1whc h ILE 17 CO 0.07 0.03 -0.49 -0.33 0.00 0.00 0.00 178.15 177.43 1whc h GLU 18 N 0.17 0.84 -0.03 2.37 4.39 0.93 -2.80 114.58 120.46 1whc h GLU 18 Ca 0.48 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1whc h GLU 18 Cb 1.59 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1whc h GLU 18 CO -0.10 1.13 0.05 0.52 -1.16 0.00 0.00 179.01 179.45 1whc h MET 19 N 0.66 0.00 0.00 2.33 2.86 0.15 -3.44 114.93 117.48 1whc h MET 19 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1whc h MET 19 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1whc h MET 19 CO 0.11 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1whc n GLY 20 N -1.27 1.95 3.81 8.32 0.00 -0.97 -5.11 105.19 111.92 1whc n GLY 20 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 0.22 1.61 0.08 -1.12 -5.03 117.98 114.99 1whc s PHE 21 Ca 0.00 0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 1whc s PHE 21 Cb 0.00 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.73 1whc s PHE 21 CO 0.00 0.53 1.10 -1.25 -0.10 0.00 0.00 175.22 175.51 1whc s PRO 22 N -2.53 4.61 0.14 0.24 0.04 -1.26 -4.22 135.00 132.03 1whc s PRO 22 Ca 0.31 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 1whc s PRO 22 Cb -0.12 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1whc s PRO 22 CO 0.24 0.13 1.53 -0.09 0.04 0.00 0.00 177.00 178.85 1whc h ARG 23 N 4.59 -0.16 -0.92 4.56 2.43 -1.98 0.87 114.38 123.76 1whc h ARG 23 Ca -0.45 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1whc h ARG 23 Cb 1.21 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.68 1whc h ARG 23 CO 0.70 -0.11 -0.51 0.41 -1.51 0.00 0.00 179.97 178.96 1whc n GLY 24 N -1.30 -2.30 0.20 2.80 0.00 -1.26 0.93 105.19 104.27 1whc n GLY 24 Ca -0.00 1.08 -0.08 0.00 0.00 0.00 0.00 46.02 47.02 1whc n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1whc h ARG 25 N 0.00 -0.43 -0.76 1.61 3.08 -1.42 1.23 114.38 117.69 1whc h ARG 25 Ca 0.18 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1whc h ARG 25 Cb 0.41 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 1whc h ARG 25 CO -0.88 -0.29 -0.45 0.00 -1.07 0.00 0.00 179.97 177.29 1whc n ALA 26 N -2.40 -0.49 0.23 0.04 0.00 0.13 0.19 120.51 118.21 1whc n ALA 26 Ca -0.05 0.65 -0.17 0.00 0.00 0.00 0.00 53.44 53.86 1whc n ALA 26 Cb 0.19 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.83 -0.28 0.00 5.08 0.63 0.44 114.58 119.61 1whc h GLU 27 Ca 0.12 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1whc h GLU 27 Cb 0.31 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1whc h GLU 27 CO -0.71 -0.55 -0.39 -0.22 -1.00 0.00 0.00 179.01 176.13 1whc h LYS 28 N -0.86 -0.27 -0.08 2.33 3.64 0.33 0.72 116.57 122.38 1whc h LYS 28 Ca -0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1whc h LYS 28 Cb 0.78 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1whc h LYS 28 CO -0.12 -0.18 -0.29 0.00 -2.27 0.00 0.00 179.45 176.59 1whc h ALA 29 N -0.43 -0.67 -0.98 5.00 0.00 0.22 0.37 119.26 122.77 1whc h ALA 29 Ca 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1whc h ALA 29 Cb 0.41 0.82 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1whc h ALA 29 CO -0.41 -0.78 -0.52 -0.07 0.00 0.00 0.00 179.25 177.46 1whc h LEU 30 N -0.30 -1.92 -0.14 0.00 -0.00 0.46 0.29 115.31 113.70 1whc h LEU 30 Ca 0.02 0.32 0.03 0.00 -0.00 0.00 0.00 57.88 58.25 1whc h LEU 30 Cb 0.36 0.89 -0.07 0.00 -0.00 0.00 0.00 40.66 41.84 1whc h LEU 30 CO -0.24 -0.25 -0.51 0.00 -0.00 0.00 0.00 178.44 177.43 1whc h ALA 31 N 0.77 -0.82 -0.92 1.53 0.00 0.13 1.24 119.26 121.20 1whc h ALA 31 Ca 0.22 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.33 1whc h ALA 31 Cb 0.47 0.96 -0.16 0.00 0.00 0.00 0.00 17.79 19.06 1whc h ALA 31 CO -0.95 -1.05 0.08 -0.07 0.00 0.00 0.00 179.25 177.26 1whc h LEU 32 N -0.56 -0.33 -3.53 0.00 3.38 0.30 1.40 115.31 115.96 1whc h LEU 32 Ca 0.05 0.25 -0.30 0.00 0.09 0.00 0.00 57.88 57.97 1whc h LEU 32 Cb 0.67 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1whc h LEU 32 CO -0.43 -0.28 0.34 0.35 0.09 0.00 0.00 178.44 178.51 1whc n THR 33 N -5.40 2.74 -4.09 0.22 -2.24 0.45 -4.80 114.28 101.16 1whc n THR 33 Ca 0.21 -1.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.01 1whc n THR 33 Cb 0.70 -1.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.46 1whc n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1whc n GLY 34 N 0.61 -0.30 4.02 3.38 0.00 0.48 0.39 105.19 113.77 1whc n GLY 34 Ca 0.28 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.06 -4.27 -0.05 1.61 3.02 0.40 -4.87 115.26 109.04 1whc n ASN 35 Ca 0.03 -1.26 -0.17 0.00 -0.03 0.00 0.00 54.58 53.15 1whc n ASN 35 Cb 0.42 -1.94 -0.13 0.00 -0.61 0.00 0.00 39.78 37.52 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 -2.53 0.08 0.00 3.52 1.08 -0.22 -3.50 115.11 113.54 1whc h GLN 36 Ca -0.71 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 56.36 1whc h GLN 36 Cb 1.40 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1whc h GLN 36 CO 0.51 1.06 0.00 0.41 -0.95 0.00 0.00 178.83 179.87 1whc n GLY 37 N 1.60 -1.56 0.20 3.46 0.00 -1.26 -4.96 105.19 102.67 1whc n GLY 37 Ca -0.17 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.87 -0.61 2.04 -1.97 0.62 117.51 116.72 1whc h ILE 38 Ca 0.00 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1whc h ILE 38 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.98 1whc h ILE 38 CO 0.00 0.00 -0.51 -0.62 0.00 0.00 0.00 178.15 177.02 1whc n GLU 39 N -3.39 -0.38 -0.18 2.37 -0.58 -1.26 0.18 120.64 117.39 1whc n GLU 39 Ca -0.06 1.37 -0.01 0.00 -0.42 0.00 0.00 57.16 58.04 1whc n GLU 39 Cb 0.20 -2.02 0.08 0.00 -0.57 0.00 0.00 31.44 29.12 1whc n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1whc h ALA 40 N 0.37 0.52 0.76 0.62 0.00 -1.92 0.48 119.26 120.08 1whc h ALA 40 Ca 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1whc h ALA 40 Cb 0.35 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1whc h ALA 40 CO -0.81 -0.40 -0.40 0.00 0.00 0.00 0.00 179.25 177.63 1whc h ALA 41 N 1.51 -1.26 -1.00 0.00 0.00 0.30 -2.54 119.26 116.27 1whc h ALA 41 Ca 0.29 -0.23 0.37 0.00 0.00 0.00 0.00 54.91 55.34 1whc h ALA 41 Cb 0.45 0.47 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 1whc h ALA 41 CO -0.49 -1.20 0.40 0.52 0.00 0.00 0.00 179.25 178.47 1whc h MET 42 N -1.07 0.03 -0.72 0.00 2.07 0.25 1.54 114.93 117.02 1whc h MET 42 Ca -0.10 -0.00 0.14 0.00 -2.07 0.00 0.00 59.70 57.66 1whc h MET 42 Cb 0.83 -0.01 -0.09 0.00 -1.87 0.00 0.00 31.60 30.46 1whc h MET 42 CO 0.14 0.02 0.26 0.22 1.07 0.00 0.00 176.91 178.62 1whc h ASP 43 N 0.03 0.21 0.20 1.22 1.82 -0.49 1.43 116.42 120.84 1whc h ASP 43 Ca 0.77 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 57.51 1whc h ASP 43 Cb 1.91 0.11 0.00 0.00 0.68 0.00 0.00 39.33 42.03 1whc h ASP 43 CO -0.80 0.08 -0.10 -0.25 -1.61 0.00 0.00 179.24 176.56 1whc h TRP 44 N 0.40 -0.25 -0.49 0.28 7.01 0.22 -2.90 115.95 120.22 1whc h TRP 44 Ca 0.40 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.44 1whc h TRP 44 Cb 0.60 0.08 -0.09 0.00 -2.10 0.00 0.00 29.16 27.66 1whc h TRP 44 CO -0.19 0.12 -0.55 -0.07 -2.79 0.00 0.00 178.44 174.96 1whc h LEU 45 N -0.94 -1.87 -1.77 0.65 3.38 -0.17 1.66 115.31 116.25 1whc h LEU 45 Ca -0.03 0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1whc h LEU 45 Cb 0.48 0.78 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1whc h LEU 45 CO 0.05 -0.37 0.44 0.24 0.09 0.00 0.00 178.44 178.89 1whc h MET 46 N -0.33 0.00 0.00 1.13 2.86 0.19 1.69 114.93 120.47 1whc h MET 46 Ca 0.08 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.48 1whc h MET 46 Cb 0.55 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1whc h MET 46 CO -0.63 0.00 -1.68 -1.91 1.06 0.00 0.00 176.91 173.74 1whc n GLU 47 N -3.02 0.63 -0.51 1.72 2.13 0.49 -3.94 120.64 118.15 1whc n GLU 47 Ca 0.01 0.23 0.08 0.00 0.66 0.00 0.00 57.16 58.13 1whc n GLU 47 Cb 0.51 -1.76 0.29 0.00 0.27 0.00 0.00 31.44 30.75 1whc n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1whc n HIS 48 N -2.94 1.17 0.18 4.31 8.25 0.31 -4.36 115.22 122.14 1whc n HIS 48 Ca -0.16 -0.73 0.07 0.00 -0.26 0.00 0.00 57.72 56.65 1whc n HIS 48 Cb 0.97 -0.28 0.14 0.00 1.12 0.00 0.00 29.99 31.94 1whc n HIS 48 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1whc h GLU 49 N 2.69 0.00 -0.25 -0.41 4.81 0.19 -3.11 114.58 118.50 1whc h GLU 49 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1whc h GLU 49 Cb 1.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1whc h GLU 49 CO 0.23 0.26 -0.01 -0.25 -0.73 0.00 0.00 179.01 178.51 1whc n ASP 50 N -3.18 3.41 -4.81 1.04 8.00 -1.26 -5.01 116.55 114.73 1whc n ASP 50 Ca 0.03 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 52.00 1whc n ASP 50 Cb 0.62 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 1whc n ASP 50 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1whc s ASP 51 N -2.18 7.06 0.37 -2.24 1.11 -1.18 -4.96 116.67 114.65 1whc s ASP 51 Ca 0.41 1.65 0.20 0.00 0.18 0.00 0.00 52.55 54.99 1whc s ASP 51 Cb 0.35 -2.52 0.54 0.00 1.07 0.00 0.00 42.92 42.36 1whc s ASP 51 CO 0.06 -0.20 1.66 1.55 1.18 0.00 0.00 175.17 179.42 1whc h PRO 52 N 2.52 0.00 -2.80 8.23 0.13 -1.95 -3.41 132.00 134.73 1whc h PRO 52 Ca -0.48 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.21 1whc h PRO 52 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 1whc h PRO 52 CO 0.63 0.34 -0.72 0.16 -0.23 0.00 0.00 178.00 178.18 1whc s ASP 53 N -6.34 2.41 -0.01 1.44 -4.77 -1.26 -4.99 116.67 103.16 1whc s ASP 53 Ca 0.02 -0.72 -0.01 0.00 -3.30 0.00 0.00 52.55 48.54 1whc s ASP 53 Cb 0.09 -0.08 -0.01 0.00 -1.09 0.00 0.00 42.92 41.83 1whc s ASP 53 CO 0.69 -0.37 -0.02 0.55 0.70 0.00 0.00 175.17 176.71 1whc n VAL 54 N 5.28 0.27 0.00 2.11 3.14 -1.26 -4.78 118.33 123.09 1whc n VAL 54 Ca -0.06 0.03 -0.12 0.00 -2.96 0.00 0.00 64.34 61.23 1whc n VAL 54 Cb 0.47 -1.54 -0.08 0.00 -1.06 0.00 0.00 33.84 31.63 1whc n VAL 54 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1whc h ASP 55 N -0.07 0.04 -4.11 6.55 3.58 -1.96 -3.44 116.42 117.01 1whc h ASP 55 Ca -0.04 -0.27 -0.52 0.00 0.42 0.00 0.00 57.03 56.62 1whc h ASP 55 Cb 0.91 -0.01 0.10 0.00 1.72 0.00 0.00 39.33 42.05 1whc h ASP 55 CO -0.03 0.30 0.44 -1.61 -2.88 0.00 0.00 179.24 175.47 1whc s GLU 56 N -5.11 2.98 0.82 0.28 2.02 -1.26 -4.96 118.70 113.47 1whc s GLU 56 Ca -0.15 1.71 -0.12 0.00 0.02 0.00 0.00 54.97 56.44 1whc s GLU 56 Cb 0.04 -1.94 0.08 0.00 0.10 0.00 0.00 34.13 32.41 1whc s GLU 56 CO 0.68 -1.17 1.10 -1.25 0.02 0.00 0.00 175.26 174.64 1whc s PRO 57 N -3.46 1.91 -1.09 0.39 0.04 -1.26 -4.97 135.00 126.56 1whc s PRO 57 Ca 0.75 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 1whc s PRO 57 Cb -0.27 -1.90 0.28 0.00 0.04 0.00 0.00 34.50 32.65 1whc s PRO 57 CO 0.33 -1.73 1.18 1.47 0.04 0.00 0.00 177.00 178.30 1whc n LEU 58 N -3.50 5.63 -2.66 -3.56 -0.00 -1.26 -4.70 117.00 106.96 1whc n LEU 58 Ca 0.07 -5.10 -0.01 0.00 -0.00 0.00 0.00 56.01 50.97 1whc n LEU 58 Cb 0.57 -1.39 0.03 0.00 -0.00 0.00 0.00 43.42 42.63 1whc n LEU 58 CO 0.57 1.46 0.56 -0.55 -0.00 0.00 0.00 177.39 179.42 1whc s SER 59 N 0.38 -0.04 -0.06 1.45 0.15 -1.26 -5.07 113.70 109.25 1whc s SER 59 Ca 0.31 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1whc s SER 59 Cb -0.06 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1whc s SER 59 CO -0.04 -0.00 0.02 0.61 1.20 0.00 0.00 173.24 175.03 1whc n GLY 60 N 2.87 -1.02 2.45 9.45 0.00 -1.26 -4.66 105.19 113.02 1whc n GLY 60 Ca 0.08 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 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 1.54 2.66 0.00 1.61 -0.04 -1.26 -4.74 135.00 134.77 1whc n PRO 61 Ca -0.03 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1whc n PRO 61 Cb 0.32 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1whc n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whc n SER 62 N 3.82 0.00 0.00 3.54 2.88 -1.26 -4.25 113.62 118.34 1whc n SER 62 Ca 0.57 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1whc n SER 62 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1whc n SER 62 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1whc n SER 63 N 2.95 0.00 0.00 -3.46 3.41 -1.26 -5.25 113.62 110.01 1whc n SER 63 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1whc n SER 63 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1whc n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49