#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 -6.53 -3.09 1.61 2.88 -1.26 -5.04 113.62 102.20 1whc n SER 2 Ca 0.00 1.09 0.04 0.00 -1.33 0.00 0.00 58.87 58.67 1whc n SER 2 Cb 0.00 -3.96 -0.00 0.00 -0.75 0.00 0.00 64.21 59.50 1whc n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whc s SER 3 N -1.19 -0.92 0.49 -3.46 0.15 -1.26 -5.04 113.70 102.47 1whc s SER 3 Ca -0.04 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.61 1whc s SER 3 Cb 0.00 1.44 0.04 0.00 -1.71 0.00 0.00 66.02 65.79 1whc s SER 3 CO 0.50 -0.15 0.67 -0.83 1.20 0.00 0.00 173.24 174.63 1whc s GLY 4 N 2.57 1.86 0.08 9.45 0.00 -1.26 -5.10 107.32 114.93 1whc s GLY 4 Ca 0.19 -1.81 -0.19 0.00 0.00 0.00 0.00 44.72 42.90 1whc s GLY 4 CO -0.20 -1.52 0.57 -0.56 0.00 0.00 0.00 173.10 171.39 1whc s SER 5 N -4.47 7.05 -0.15 1.64 0.01 -1.26 -4.68 113.70 111.84 1whc s SER 5 Ca 0.58 1.26 -0.10 0.00 1.31 0.00 0.00 55.95 58.99 1whc s SER 5 Cb -0.08 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.83 1whc s SER 5 CO 0.36 0.26 0.21 -1.20 0.41 0.00 0.00 173.24 173.27 1whc n SER 6 N 1.62 -1.83 -4.28 2.44 7.64 -1.26 -4.82 113.62 113.12 1whc n SER 6 Ca -0.10 1.35 -0.42 0.00 1.01 0.00 0.00 58.87 60.72 1whc n SER 6 Cb 0.51 -4.83 -0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1whc n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whc n GLY 7 N 1.84 -2.69 3.28 0.23 0.00 -1.26 -4.99 105.19 101.60 1whc n GLY 7 Ca -0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1whc n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whc s ALA 8 N -1.65 1.62 -0.30 4.61 0.00 -1.26 -5.14 121.76 119.65 1whc s ALA 8 Ca 0.59 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1whc s ALA 8 Cb -0.65 1.26 0.11 0.00 0.00 0.00 0.00 23.12 23.84 1whc s ALA 8 CO 0.62 -0.55 0.16 -1.21 0.00 0.00 0.00 175.76 174.78 1whc s GLU 9 N -3.93 0.25 -0.04 0.00 2.02 -1.26 -5.02 118.70 110.71 1whc s GLU 9 Ca 0.38 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 1whc s GLU 9 Cb 0.06 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.15 1whc s GLU 9 CO 0.16 -1.05 0.15 -0.07 0.02 0.00 0.00 175.26 174.47 1whc h LEU 10 N 8.21 -0.07 0.00 1.80 4.07 -2.00 -3.50 115.31 123.81 1whc h LEU 10 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1whc h LEU 10 Cb 1.01 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1whc h LEU 10 CO 0.41 0.17 0.00 0.35 -1.08 0.00 0.00 178.44 178.29 1whc n THR 11 N -3.46 0.00 0.03 0.22 -2.24 -1.26 -5.02 114.28 102.55 1whc n THR 11 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1whc n THR 11 Cb 0.03 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.13 1whc n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whc h ALA 12 N 1.70 0.52 0.08 6.98 0.00 -1.99 -3.07 119.26 123.47 1whc h ALA 12 Ca 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.75 1whc h ALA 12 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1whc h ALA 12 CO 0.00 1.38 -0.04 1.25 0.00 0.00 0.00 179.25 181.84 1whc h LEU 13 N 0.01 -0.09 -0.64 0.00 7.12 -1.96 -3.27 115.31 116.48 1whc h LEU 13 Ca -0.14 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 57.94 1whc h LEU 13 Cb 1.89 0.02 -0.12 0.00 -0.53 0.00 0.00 40.66 41.92 1whc h LEU 13 CO 0.11 0.42 -0.30 -0.33 -0.13 0.00 0.00 178.44 178.22 1whc h GLU 14 N -1.02 -0.11 -0.91 1.25 4.39 -1.96 0.70 114.58 116.92 1whc h GLU 14 Ca -0.01 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1whc h GLU 14 Cb 0.13 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.67 1whc h GLU 14 CO 0.02 -0.07 -0.48 1.03 -1.16 0.00 0.00 179.01 178.35 1whc h SER 15 N -0.11 -1.73 -0.38 1.42 0.87 -1.67 1.52 113.55 113.46 1whc h SER 15 Ca 0.27 0.30 0.02 0.00 -1.23 0.00 0.00 61.79 61.15 1whc h SER 15 Cb 0.55 0.82 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1whc h SER 15 CO -0.71 -0.28 0.21 -0.07 -0.53 0.00 0.00 176.83 175.45 1whc h LEU 16 N -0.05 0.32 -2.16 2.23 3.38 -1.05 0.49 115.31 118.46 1whc h LEU 16 Ca 0.24 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1whc h LEU 16 Cb 0.52 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1whc h LEU 16 CO -0.91 0.23 0.10 0.40 0.09 0.00 0.00 178.44 178.36 1whc h ILE 17 N 0.42 0.73 -0.21 1.22 2.04 0.22 0.10 117.51 122.04 1whc h ILE 17 Ca 0.15 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 1whc h ILE 17 Cb 0.03 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1whc h ILE 17 CO -0.09 0.00 -0.37 -0.33 0.00 0.00 0.00 178.15 177.36 1whc h GLU 18 N 0.00 0.47 0.00 2.37 4.39 0.41 -2.32 114.58 119.89 1whc h GLU 18 Ca 0.06 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1whc h GLU 18 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1whc h GLU 18 CO -0.00 0.77 0.00 0.52 -1.16 0.00 0.00 179.01 179.14 1whc h MET 19 N 0.39 0.00 0.00 2.33 2.86 -0.23 -3.45 114.93 116.83 1whc h MET 19 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1whc h MET 19 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1whc h MET 19 CO 0.07 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.45 1whc n GLY 20 N -0.63 2.05 3.72 8.32 0.00 -0.87 -5.09 105.19 112.68 1whc n GLY 20 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1whc n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whc n PHE 21 N -0.47 1.97 -2.50 1.61 3.72 -1.20 -4.95 117.46 115.65 1whc n PHE 21 Ca 0.00 0.43 -0.41 0.00 -0.05 0.00 0.00 57.45 57.42 1whc n PHE 21 Cb 0.00 -2.30 -0.04 0.00 -0.94 0.00 0.00 39.48 36.20 1whc n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1whc s PRO 22 N -3.09 4.61 0.19 -1.08 0.04 -1.26 -4.24 135.00 130.17 1whc s PRO 22 Ca 0.77 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.31 1whc s PRO 22 Cb -0.40 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 30.94 1whc s PRO 22 CO 0.45 0.12 1.54 -2.13 0.04 0.00 0.00 177.00 177.02 1whc n ARG 23 N 1.96 -0.36 -0.15 4.56 0.63 -1.26 -1.19 116.66 120.86 1whc n ARG 23 Ca 0.01 1.52 -0.05 0.00 -0.92 0.00 0.00 57.85 58.41 1whc n ARG 23 Cb 0.46 -2.24 -0.04 0.00 0.45 0.00 0.00 32.46 31.08 1whc n ARG 23 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1whc h GLY 24 N 0.00 -1.84 -0.09 5.14 0.00 -1.98 0.63 103.07 104.93 1whc h GLY 24 Ca 0.23 0.96 0.01 0.00 0.00 0.00 0.00 47.33 48.53 1whc h GLY 24 CO -0.96 -0.55 -0.09 3.21 0.00 0.00 0.00 176.54 178.15 1whc h ARG 25 N -0.04 -0.04 -0.75 4.80 3.08 -1.45 1.24 114.38 121.22 1whc h ARG 25 Ca 0.06 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1whc h ARG 25 Cb 0.20 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 1whc h ARG 25 CO -0.37 -0.03 -0.56 0.00 -1.07 0.00 0.00 179.97 177.95 1whc h ALA 26 N -0.99 -0.63 -0.52 0.04 0.00 -0.76 0.33 119.26 116.74 1whc h ALA 26 Ca 0.02 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1whc h ALA 26 Cb 0.08 1.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1whc h ALA 26 CO -0.11 -0.98 -0.18 0.93 0.00 0.00 0.00 179.25 178.92 1whc h GLU 27 N -0.15 -0.06 0.00 0.00 5.08 0.12 0.14 114.58 119.71 1whc h GLU 27 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1whc h GLU 27 Cb 0.47 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1whc h GLU 27 CO -0.78 -0.04 0.00 1.17 -1.00 0.00 0.00 179.01 178.36 1whc n LYS 28 N -5.40 0.00 -0.06 2.33 4.81 0.42 0.07 118.16 120.33 1whc n LYS 28 Ca 0.05 0.48 -0.01 0.00 -0.87 0.00 0.00 58.31 57.95 1whc n LYS 28 Cb 0.30 -1.30 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 1whc n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1whc n ALA 29 N -1.69 -0.08 -0.34 3.14 0.00 0.80 0.80 120.51 123.13 1whc n ALA 29 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1whc n ALA 29 Cb 0.00 0.35 0.09 0.00 0.00 0.00 0.00 19.45 19.89 1whc n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whc n LEU 30 N -3.21 -0.46 0.08 0.00 4.77 0.46 0.13 117.00 118.76 1whc n LEU 30 Ca 0.00 1.59 -0.05 0.00 -0.03 0.00 0.00 56.01 57.53 1whc n LEU 30 Cb 0.03 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1whc n LEU 30 CO -0.02 -1.48 0.51 0.00 -1.33 0.00 0.00 177.39 175.06 1whc h ALA 31 N 1.57 -0.87 -0.66 -1.18 0.00 0.44 1.78 119.26 120.35 1whc h ALA 31 Ca 0.38 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1whc h ALA 31 Cb 0.61 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1whc h ALA 31 CO -0.93 -0.87 -0.50 -0.07 0.00 0.00 0.00 179.25 176.88 1whc h LEU 32 N -0.26 -1.74 -2.03 0.00 4.07 0.22 1.37 115.31 116.94 1whc h LEU 32 Ca -0.02 0.27 0.10 0.00 0.08 0.00 0.00 57.88 58.31 1whc h LEU 32 Cb 0.22 0.77 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1whc h LEU 32 CO -0.01 -0.33 0.26 0.71 -1.08 0.00 0.00 178.44 177.99 1whc h THR 33 N -0.21 0.77 -1.15 0.22 1.35 0.12 -3.46 112.91 110.55 1whc h THR 33 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1whc h THR 33 Cb 0.54 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1whc h THR 33 CO -0.74 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.14 1whc n GLY 34 N -1.59 0.50 3.99 5.82 0.00 0.47 -4.37 105.19 110.01 1whc n GLY 34 Ca 0.05 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.49 -4.38 0.02 1.61 3.02 0.50 -4.85 115.26 110.70 1whc n ASN 35 Ca 0.00 -1.20 -0.06 0.00 -0.03 0.00 0.00 54.58 53.29 1whc n ASN 35 Cb 0.30 -1.68 -0.12 0.00 -0.61 0.00 0.00 39.78 37.67 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 -1.92 0.00 0.00 3.52 1.08 -1.77 -3.50 115.11 112.52 1whc h GLN 36 Ca -0.69 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 1whc h GLN 36 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 1whc h GLN 36 CO 0.47 0.64 0.00 0.41 -0.95 0.00 0.00 178.83 179.40 1whc n GLY 37 N 1.45 -1.19 0.20 3.46 0.00 -1.26 -4.82 105.19 103.02 1whc n GLY 37 Ca -0.09 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.90 -0.61 1.08 -1.97 -1.91 117.51 113.20 1whc h ILE 38 Ca 0.00 -0.10 0.10 0.00 -0.39 0.00 0.00 64.86 64.47 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 0.54 -0.33 -0.69 0.00 0.00 178.15 177.67 1whc h GLU 39 N -0.59 0.86 -0.87 2.37 3.07 -1.98 0.12 114.58 117.57 1whc h GLU 39 Ca -0.05 -0.05 0.17 0.00 -0.50 0.00 0.00 59.36 58.92 1whc h GLU 39 Cb 0.37 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 27.99 1whc h GLU 39 CO 0.08 0.57 0.44 0.00 -1.40 0.00 0.00 179.01 178.70 1whc h ALA 40 N 1.48 1.34 0.20 3.43 0.00 -1.87 -0.65 119.26 123.19 1whc h ALA 40 Ca 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1whc h ALA 40 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1whc h ALA 40 CO -0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 179.25 178.77 1whc h ALA 41 N 1.60 -0.26 -0.89 0.00 0.00 -0.16 -3.22 119.26 116.32 1whc h ALA 41 Ca 0.49 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.58 1whc h ALA 41 Cb 0.76 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 1whc h ALA 41 CO -0.40 -0.32 0.48 -1.33 0.00 0.00 0.00 179.25 177.68 1whc n MET 42 N -4.95 -0.05 0.23 0.00 2.00 0.22 0.57 117.12 115.13 1whc n MET 42 Ca -0.07 1.23 -0.16 0.00 0.00 0.00 0.00 57.70 58.70 1whc n MET 42 Cb 0.25 -2.21 -0.09 0.00 0.00 0.00 0.00 33.22 31.17 1whc n MET 42 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1whc h ASP 43 N 0.00 -1.28 0.37 7.83 5.19 -1.16 1.44 116.42 128.81 1whc h ASP 43 Ca 0.76 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 57.27 1whc h ASP 43 Cb 2.01 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 41.92 1whc h ASP 43 CO -0.68 -0.57 -0.40 -0.25 -3.12 0.00 0.00 179.24 174.21 1whc h TRP 44 N -0.85 -1.10 -0.79 4.55 7.01 0.04 0.73 115.95 125.55 1whc h TRP 44 Ca -0.05 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.15 1whc h TRP 44 Cb 0.76 0.43 -0.14 0.00 -2.10 0.00 0.00 29.16 28.11 1whc h TRP 44 CO -0.28 -0.55 -0.03 -0.07 -2.79 0.00 0.00 178.44 174.72 1whc h LEU 45 N -0.80 -0.43 -0.88 0.65 3.38 -0.72 0.76 115.31 117.27 1whc h LEU 45 Ca -0.03 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1whc h LEU 45 Cb 0.72 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1whc h LEU 45 CO -0.09 -0.21 0.03 0.24 0.09 0.00 0.00 178.44 178.50 1whc h MET 46 N 0.08 0.86 0.00 1.13 2.86 0.30 -0.41 114.93 119.73 1whc h MET 46 Ca 0.43 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1whc h MET 46 Cb 0.76 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1whc h MET 46 CO -0.72 0.84 0.00 1.49 1.06 0.00 0.00 176.91 179.58 1whc h GLU 47 N 0.80 0.00 -0.13 1.72 4.81 0.68 -0.10 114.58 122.36 1whc h GLU 47 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1whc h GLU 47 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1whc h GLU 47 CO 0.02 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.02 1whc n HIS 48 N -2.65 0.16 0.33 0.92 8.25 0.20 -4.44 115.22 117.98 1whc n HIS 48 Ca -0.00 -0.14 0.21 0.00 -0.26 0.00 0.00 57.72 57.53 1whc n HIS 48 Cb 0.18 -0.01 1.13 0.00 1.12 0.00 0.00 29.99 32.41 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 2.58 0.00 0.00 -0.41 -0.00 0.61 -0.02 114.58 117.33 1whc h GLU 49 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.10 1whc h GLU 49 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.32 1whc h GLU 49 CO 0.00 0.00 -2.01 -3.47 -0.00 0.00 0.00 179.01 173.54 1whc n ASP 50 N -3.28 0.34 -4.75 3.06 -0.08 -1.26 -4.94 116.55 105.63 1whc n ASP 50 Ca -0.03 0.15 -0.42 0.00 -1.51 0.00 0.00 54.79 52.99 1whc n ASP 50 Cb 0.08 0.78 -0.01 0.00 2.34 0.00 0.00 41.12 44.31 1whc n ASP 50 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1whc n ASP 51 N -2.76 3.60 0.09 1.67 9.92 -0.02 -4.95 116.55 124.10 1whc n ASP 51 Ca -0.21 1.20 -0.05 0.00 -0.53 0.00 0.00 54.79 55.20 1whc n ASP 51 Cb 0.99 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.86 1whc n ASP 51 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1whc h PRO 52 N 3.39 -0.31 -4.24 -0.24 0.13 -1.92 -3.40 132.00 125.41 1whc h PRO 52 Ca -0.49 0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 63.91 1whc h PRO 52 Cb 1.25 0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.22 1whc h PRO 52 CO 0.68 -0.21 0.41 -0.51 -0.23 0.00 0.00 178.00 178.14 1whc s ASP 53 N -5.05 6.77 -0.01 1.44 1.01 -1.26 -4.72 116.67 114.84 1whc s ASP 53 Ca -0.05 -2.55 0.18 0.00 0.71 0.00 0.00 52.55 50.84 1whc s ASP 53 Cb 0.00 -2.28 -0.24 0.00 1.01 0.00 0.00 42.92 41.41 1whc s ASP 53 CO 0.14 -0.72 0.55 0.55 0.21 0.00 0.00 175.17 175.90 1whc n VAL 54 N 4.41 0.00 -2.72 -1.27 3.14 -1.26 -4.67 118.33 115.97 1whc n VAL 54 Ca 0.19 -0.27 -0.08 0.00 -2.96 0.00 0.00 64.34 61.21 1whc n VAL 54 Cb 0.47 0.49 0.10 0.00 -1.06 0.00 0.00 33.84 33.84 1whc n VAL 54 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1whc n ASP 55 N -1.82 -2.19 -4.39 6.55 5.75 -1.26 -4.77 116.55 114.42 1whc n ASP 55 Ca -0.00 -3.28 -0.37 0.00 -0.01 0.00 0.00 54.79 51.13 1whc n ASP 55 Cb 0.39 1.63 0.05 0.00 -1.03 0.00 0.00 41.12 42.16 1whc n ASP 55 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1whc n GLU 56 N 0.05 0.24 -1.52 0.11 0.28 -1.26 -4.96 120.64 113.58 1whc n GLU 56 Ca 0.03 0.11 -0.30 0.00 -0.16 0.00 0.00 57.16 56.84 1whc n GLU 56 Cb 0.75 -1.61 0.21 0.00 1.43 0.00 0.00 31.44 32.22 1whc n GLU 56 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1whc s PRO 57 N -2.34 -0.15 -0.46 3.44 0.04 -1.26 -5.05 135.00 129.22 1whc s PRO 57 Ca 0.62 -0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.49 1whc s PRO 57 Cb -0.37 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1whc s PRO 57 CO 0.61 -2.98 0.28 -0.48 0.04 0.00 0.00 177.00 174.48 1whc s LEU 58 N -6.37 2.55 0.10 -3.56 0.05 -1.26 -4.83 118.68 105.35 1whc s LEU 58 Ca 0.72 -2.80 0.00 0.00 0.05 0.00 0.00 54.13 52.10 1whc s LEU 58 Cb -0.07 -0.94 0.00 0.00 -2.05 0.00 0.00 46.19 43.13 1whc s LEU 58 CO 0.54 -0.23 0.00 -0.24 -0.55 0.00 0.00 176.35 175.87 1whc n SER 59 N 3.30 -0.83 0.00 1.48 2.88 -1.26 -5.17 113.62 114.01 1whc n SER 59 Ca 0.14 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1whc n SER 59 Cb 0.37 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1whc n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whc n GLY 60 N -1.14 0.40 0.11 0.46 0.00 -1.26 -4.83 105.19 98.93 1whc n GLY 60 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 1whc n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whc h PRO 61 N 0.00 0.25 -5.80 1.61 0.13 -2.02 -3.49 132.00 122.67 1whc h PRO 61 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1whc h PRO 61 Cb 0.00 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1whc h PRO 61 CO 0.00 0.93 -0.84 0.45 -0.23 0.00 0.00 178.00 178.32 1whc n SER 62 N -4.45 -6.03 -3.11 1.44 2.88 -1.26 -5.03 113.62 98.06 1whc n SER 62 Ca -0.09 0.95 0.05 0.00 -1.33 0.00 0.00 58.87 58.46 1whc n SER 62 Cb 0.52 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.93 1whc n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whc s SER 63 N -0.80 -0.13 0.00 -3.46 0.01 -1.26 -5.25 113.70 102.81 1whc s SER 63 Ca -0.05 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1whc s SER 63 Cb 0.00 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.24 1whc s SER 63 CO 0.32 -0.02 0.12 0.61 0.41 0.00 0.00 173.24 174.67