#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwm s VAL 3 N 0.00 1.66 -0.08 3.53 -7.23 -0.10 -2.50 120.40 115.69 3dwm s VAL 3 Ca 0.00 -1.86 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 3dwm s VAL 3 Cb 0.00 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3dwm s VAL 3 CO 0.00 -0.35 0.16 -0.89 -0.31 0.00 0.00 175.10 173.71 3dwm s THR 4 N -2.09 5.48 -0.13 5.32 2.01 -1.22 -0.03 115.64 124.98 3dwm s THR 4 Ca 0.14 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 3dwm s THR 4 Cb -0.05 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3dwm s THR 4 CO 0.05 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 3dwm s VAL 5 N -1.15 1.26 -0.11 3.82 1.01 0.26 -1.25 120.40 124.24 3dwm s VAL 5 Ca 0.20 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 3dwm s VAL 5 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3dwm s VAL 5 CO 0.10 0.40 0.84 -0.55 0.00 0.00 0.00 175.10 175.89 3dwm s SER 6 N 1.62 7.06 -0.17 3.32 0.15 -0.34 -0.98 113.70 124.36 3dwm s SER 6 Ca 0.05 1.29 -0.04 0.00 0.70 0.00 0.00 55.95 57.95 3dwm s SER 6 Cb -0.13 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3dwm s SER 6 CO -0.09 -0.32 -0.04 -0.63 1.20 0.00 0.00 173.24 173.36 3dwm s ILE 7 N 1.64 3.80 0.65 6.45 -1.09 0.82 -2.54 121.20 130.92 3dwm s ILE 7 Ca 0.41 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.34 3dwm s ILE 7 Cb -0.18 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.01 3dwm s ILE 7 CO 0.17 0.48 1.05 -2.16 -1.23 0.00 0.00 174.94 173.25 3dwm s PRO 8 N 0.57 3.31 0.17 2.79 0.04 -1.24 -4.74 135.00 135.89 3dwm s PRO 8 Ca -0.03 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.41 3dwm s PRO 8 Cb -0.14 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3dwm s PRO 8 CO 0.03 -0.75 1.60 1.79 0.04 0.00 0.00 177.00 179.70 3dwm h THR 9 N -0.44 0.23 -1.03 1.26 1.35 -1.96 -1.07 112.91 111.24 3dwm h THR 9 Ca -0.44 0.00 0.35 0.00 -0.55 0.00 0.00 66.41 65.76 3dwm h THR 9 Cb 1.21 0.23 -0.15 0.00 -1.73 0.00 0.00 68.15 67.71 3dwm h THR 9 CO 0.63 0.00 0.59 -0.29 -0.25 0.00 0.00 175.52 176.20 3dwm h ILE 10 N -0.24 0.24 -0.01 6.82 2.10 -2.01 -1.27 117.51 123.13 3dwm h ILE 10 Ca 0.18 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 66.03 3dwm h ILE 10 Cb 0.54 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 3dwm h ILE 10 CO -0.55 0.05 -0.12 0.18 -1.08 0.00 0.00 178.15 176.62 3dwm n LEU 11 N -5.04 1.31 0.29 2.19 4.77 -0.42 -4.33 117.00 115.78 3dwm n LEU 11 Ca 0.33 -0.40 0.19 0.00 -0.03 0.00 0.00 56.01 56.10 3dwm n LEU 11 Cb 1.08 -0.06 0.94 0.00 -2.33 0.00 0.00 43.42 43.05 3dwm n LEU 11 CO 0.10 0.23 1.07 0.03 -1.33 0.00 0.00 177.39 177.49 3dwm h ARG 12 N 1.86 0.00 -0.96 3.23 3.08 -1.07 -1.48 114.38 119.05 3dwm h ARG 12 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3dwm h ARG 12 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 3dwm h ARG 12 CO 0.00 0.00 0.63 -1.35 -1.07 0.00 0.00 179.97 178.18 3dwm h PRO 13 N 0.00 1.19 0.00 0.04 0.11 -1.78 1.14 132.00 132.70 3dwm h PRO 13 Ca 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3dwm h PRO 13 Cb 0.19 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3dwm h PRO 13 CO 0.00 0.79 -0.01 0.45 -0.21 0.00 0.00 178.00 179.02 3dwm h HIS 14 N 1.23 0.00 -0.36 0.65 3.86 -1.59 -1.88 115.15 117.05 3dwm h HIS 14 Ca 0.38 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.48 3dwm h HIS 14 Cb -0.02 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 3dwm h HIS 14 CO -0.01 0.01 0.02 0.25 0.86 0.00 0.00 177.93 179.06 3dwm n THR 15 N -3.13 2.47 -3.28 2.45 -2.24 -0.51 -4.46 114.28 105.58 3dwm n THR 15 Ca -0.02 -2.20 -0.23 0.00 -2.27 0.00 0.00 64.05 59.33 3dwm n THR 15 Cb 0.17 -0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 3dwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwm n GLY 16 N -0.76 -0.52 2.72 3.38 0.00 -0.71 -1.18 105.19 108.12 3dwm n GLY 16 Ca 0.29 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 3dwm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwm n GLY 17 N -1.75 0.78 3.73 -0.02 0.00 0.38 -5.00 105.19 103.31 3dwm n GLY 17 Ca -0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3dwm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwm s GLN 18 N -2.47 4.45 0.32 1.61 -0.21 -0.32 -4.91 119.66 118.14 3dwm s GLN 18 Ca 0.00 1.89 0.24 0.00 0.02 0.00 0.00 55.36 57.51 3dwm s GLN 18 Cb 0.00 -3.26 0.50 0.00 1.00 0.00 0.00 33.01 31.25 3dwm s GLN 18 CO 0.00 -0.17 1.62 1.57 -2.12 0.00 0.00 175.29 176.20 3dwm h LYS 19 N 5.71 0.00 -2.99 2.91 2.10 -1.89 -3.44 116.57 118.96 3dwm h LYS 19 Ca -0.44 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.03 3dwm h LYS 19 Cb 1.21 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 32.26 3dwm h LYS 19 CO 0.77 0.00 -0.45 0.45 -2.00 0.00 0.00 179.45 178.22 3dwm s SER 20 N -5.43 -0.30 0.04 7.07 0.15 -1.26 -0.13 113.70 113.85 3dwm s SER 20 Ca 0.08 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.29 3dwm s SER 20 Cb 0.08 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3dwm s SER 20 CO 0.65 -0.16 -0.03 0.68 1.20 0.00 0.00 173.24 175.59 3dwm s VAL 21 N 1.09 0.20 0.23 4.45 -7.23 -0.15 -4.95 120.40 114.04 3dwm s VAL 21 Ca -0.08 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.23 3dwm s VAL 21 Cb -0.09 -1.23 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 3dwm s VAL 21 CO -0.08 -0.88 0.85 -0.55 -0.31 0.00 0.00 175.10 174.13 3dwm s SER 22 N -2.58 7.41 0.00 4.85 0.15 -1.26 0.90 113.70 123.16 3dwm s SER 22 Ca 0.02 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.41 3dwm s SER 22 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3dwm s SER 22 CO -0.08 0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.48 3dwm n ALA 23 N 1.24 0.00 -3.52 5.45 0.00 0.95 -4.91 120.51 119.73 3dwm n ALA 23 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 3dwm n ALA 23 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 3dwm n ALA 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dwm s SER 24 N -0.73 -0.62 0.00 0.00 1.04 -1.26 -0.92 113.70 111.21 3dwm s SER 24 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3dwm s SER 24 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3dwm s SER 24 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3dwm n GLY 25 N 0.80 2.14 0.15 7.32 0.00 -1.26 -3.93 105.19 110.41 3dwm n GLY 25 Ca -0.18 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.10 3dwm n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dwm h ASP 26 N 0.00 0.00 -3.58 1.61 3.45 -1.92 -3.43 116.42 112.55 3dwm h ASP 26 Ca 0.00 0.00 -0.40 0.00 0.43 0.00 0.00 57.03 57.06 3dwm h ASP 26 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 3dwm h ASP 26 CO 0.00 0.22 -0.70 0.42 -1.57 0.00 0.00 179.24 177.61 3dwm s THR 27 N -3.14 1.35 0.28 0.35 -4.23 -1.26 0.87 115.64 109.85 3dwm s THR 27 Ca 0.03 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3dwm s THR 27 Cb 0.07 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 72.05 3dwm s THR 27 CO 0.74 -0.53 1.76 0.25 -0.54 0.00 0.00 174.62 176.31 3dwm h LEU 28 N 2.56 0.60 -0.49 4.79 5.85 -0.80 -0.71 115.31 127.12 3dwm h LEU 28 Ca -0.38 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3dwm h LEU 28 Cb 1.21 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 3dwm h LEU 28 CO 0.64 0.23 0.01 1.23 -0.34 0.00 0.00 178.44 180.22 3dwm h GLY 29 N 0.66 0.51 1.75 3.75 0.00 -0.95 -0.53 103.07 108.26 3dwm h GLY 29 Ca 0.50 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 3dwm h GLY 29 CO -0.38 -0.13 -0.43 0.00 0.00 0.00 0.00 176.54 175.61 3dwm h ALA 30 N 1.43 1.05 -0.15 3.60 0.00 -1.42 -1.73 119.26 122.03 3dwm h ALA 30 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3dwm h ALA 30 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dwm h ALA 30 CO -0.39 0.61 -0.15 0.28 0.00 0.00 0.00 179.25 179.60 3dwm h VAL 31 N 0.23 1.34 0.07 0.00 2.07 -1.10 -1.39 116.25 117.47 3dwm h VAL 31 Ca 0.02 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3dwm h VAL 31 Cb 0.85 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3dwm h VAL 31 CO 0.07 0.38 -0.28 0.40 0.02 0.00 0.00 177.57 178.16 3dwm h ILE 32 N -0.00 0.38 0.00 4.57 2.04 -0.82 0.73 117.51 124.39 3dwm h ILE 32 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3dwm h ILE 32 Cb 0.67 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3dwm h ILE 32 CO 0.04 0.00 -0.18 0.77 0.00 0.00 0.00 178.15 178.78 3dwm h SER 33 N -0.47 0.00 -0.20 1.72 4.64 -1.35 -1.98 113.55 115.91 3dwm h SER 33 Ca 0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3dwm h SER 33 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3dwm h SER 33 CO -0.20 0.18 0.01 -0.78 -0.87 0.00 0.00 176.83 175.17 3dwm h ASP 34 N 0.00 0.34 -0.55 4.97 3.58 -0.39 -2.07 116.42 122.30 3dwm h ASP 34 Ca -0.00 -0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.20 3dwm h ASP 34 Cb 0.49 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 3dwm h ASP 34 CO 0.02 0.55 0.37 -0.07 -2.88 0.00 0.00 179.24 177.23 3dwm h LEU 35 N 0.12 0.51 -0.32 2.28 3.38 -0.47 -2.03 115.31 118.78 3dwm h LEU 35 Ca 0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dwm h LEU 35 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3dwm h LEU 35 CO 0.01 0.35 0.06 -0.08 0.09 0.00 0.00 178.44 178.87 3dwm h GLU 36 N 0.59 0.52 -0.47 1.13 4.57 -1.21 0.60 114.58 120.31 3dwm h GLU 36 Ca 0.23 -0.13 0.09 0.00 -1.18 0.00 0.00 59.36 58.37 3dwm h GLU 36 Cb 0.16 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.60 3dwm h GLU 36 CO -0.06 0.60 -0.12 0.00 -1.18 0.00 0.00 179.01 178.25 3dwm h ALA 37 N 0.90 0.30 0.00 2.92 0.00 -0.68 -2.65 119.26 120.05 3dwm h ALA 37 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dwm h ALA 37 Cb 0.32 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dwm h ALA 37 CO 0.00 -0.45 -0.56 0.09 0.00 0.00 0.00 179.25 178.34 3dwm n ASN 38 N -5.34 0.65 -2.99 0.00 3.02 -0.92 -4.65 115.26 105.04 3dwm n ASN 38 Ca 0.04 0.10 -0.15 0.00 -0.03 0.00 0.00 54.58 54.53 3dwm n ASN 38 Cb 0.25 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 3dwm n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dwm n TYR 39 N -2.01 -2.10 -1.66 3.10 4.02 0.21 -5.04 117.16 113.68 3dwm n TYR 39 Ca 0.04 -2.51 -0.46 0.00 -0.01 0.00 0.00 57.90 54.96 3dwm n TYR 39 Cb 0.42 0.73 -0.04 0.00 -0.02 0.00 0.00 39.34 40.44 3dwm n TYR 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dwm n SER 40 N 1.93 2.92 0.00 7.72 2.88 -1.13 -2.61 113.62 125.33 3dwm n SER 40 Ca 0.17 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 3dwm n SER 40 Cb 0.57 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 3dwm n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwm n GLY 41 N 3.07 2.82 0.25 0.46 0.00 -1.26 -4.85 105.19 105.69 3dwm n GLY 41 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 3dwm n GLY 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwm h ILE 42 N 0.00 0.36 -0.01 -0.61 -0.00 -1.86 -3.27 117.51 112.13 3dwm h ILE 42 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3dwm h ILE 42 Cb 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 36.82 37.18 3dwm h ILE 42 CO 0.00 0.00 0.01 -1.28 -0.00 0.00 0.00 178.15 176.88 3dwm h SER 43 N -0.05 0.02 -0.88 2.19 0.87 -1.89 -1.21 113.55 112.59 3dwm h SER 43 Ca 0.27 -0.09 0.26 0.00 -1.23 0.00 0.00 61.79 60.99 3dwm h SER 43 Cb 0.46 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3dwm h SER 43 CO -0.61 0.11 0.64 -0.33 -0.53 0.00 0.00 176.83 176.11 3dwm h GLU 44 N -0.08 0.00 0.00 2.24 3.07 -1.95 -1.30 114.58 116.57 3dwm h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dwm h GLU 44 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3dwm h GLU 44 CO -0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 3dwm n ARG 45 N -4.25 0.12 -0.04 2.33 1.74 -0.46 -3.18 116.66 112.92 3dwm n ARG 45 Ca 0.18 0.19 0.03 0.00 -0.77 0.00 0.00 57.85 57.47 3dwm n ARG 45 Cb 0.96 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 30.60 3dwm n ARG 45 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dwm n LEU 46 N -1.87 0.00 -4.88 0.55 4.77 -0.50 -4.91 117.00 110.15 3dwm n LEU 46 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 3dwm n LEU 46 Cb 0.32 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3dwm n LEU 46 CO 0.24 0.16 0.24 -0.04 -1.33 0.00 0.00 177.39 176.66 3dwm s MET 47 N -2.95 3.75 -0.11 3.23 -1.94 -1.16 -0.45 119.30 119.66 3dwm s MET 47 Ca -0.07 0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 53.82 3dwm s MET 47 Cb 0.09 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 3dwm s MET 47 CO 0.74 0.25 1.35 0.34 -0.01 0.00 0.00 175.02 177.69 3dwm s ASP 48 N -2.69 6.89 0.26 3.03 -1.08 0.80 -4.21 116.67 119.67 3dwm s ASP 48 Ca 0.47 1.87 -0.05 0.00 -0.52 0.00 0.00 52.55 54.32 3dwm s ASP 48 Cb -0.11 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.12 3dwm s ASP 48 CO 0.25 -0.77 1.91 1.55 0.52 0.00 0.00 175.17 178.63 3dwm h PRO 49 N 8.33 1.19 0.00 4.34 0.13 -1.88 -3.26 132.00 140.85 3dwm h PRO 49 Ca -0.31 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3dwm h PRO 49 Cb 1.13 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3dwm h PRO 49 CO 0.95 0.84 0.00 -1.13 -0.23 0.00 0.00 178.00 178.42 3dwm n SER 50 N -4.36 0.00 -4.53 1.44 3.41 -1.26 -4.82 113.62 103.51 3dwm n SER 50 Ca 0.10 0.74 -0.34 0.00 -0.26 0.00 0.00 58.87 59.11 3dwm n SER 50 Cb 0.07 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 3dwm n SER 50 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dwm s SER 51 N -2.04 4.91 0.31 4.04 1.04 -1.23 -5.08 113.70 115.66 3dwm s SER 51 Ca 0.00 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 3dwm s SER 51 Cb 0.00 -1.77 -0.10 0.00 0.10 0.00 0.00 66.02 64.25 3dwm s SER 51 CO 0.00 0.19 1.20 -2.84 0.98 0.00 0.00 173.24 172.77 3dwm s PRO 52 N 0.25 4.47 0.00 4.02 0.02 -1.26 -3.14 135.00 139.36 3dwm s PRO 52 Ca -0.02 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3dwm s PRO 52 Cb -0.14 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3dwm s PRO 52 CO 0.03 -0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 3dwm n GLY 53 N 0.96 1.83 3.71 0.52 0.00 -1.26 -4.99 105.19 105.96 3dwm n GLY 53 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3dwm n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwm s LYS 54 N -0.52 3.56 0.78 1.61 -2.85 -1.19 -4.66 119.74 116.48 3dwm s LYS 54 Ca 0.00 -0.31 -0.12 0.00 -1.00 0.00 0.00 55.97 54.54 3dwm s LYS 54 Cb 0.00 -3.09 0.07 0.00 -2.06 0.00 0.00 37.83 32.75 3dwm s LYS 54 CO 0.00 0.52 1.13 -0.51 0.10 0.00 0.00 175.35 176.59 3dwm s LEU 55 N -0.34 3.09 0.33 2.77 1.43 -1.26 -0.14 118.68 124.55 3dwm s LEU 55 Ca 0.09 2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 54.93 3dwm s LEU 55 Cb -0.12 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 3dwm s LEU 55 CO 0.02 -2.27 1.20 -2.28 0.23 0.00 0.00 176.35 173.25 3dwm s HIS 56 N -2.61 3.23 0.45 0.29 5.65 0.40 -3.99 115.29 118.72 3dwm s HIS 56 Ca 0.65 1.55 0.16 0.00 0.25 0.00 0.00 55.06 57.67 3dwm s HIS 56 Cb -0.21 -3.48 1.10 0.00 -1.18 0.00 0.00 32.58 28.82 3dwm s HIS 56 CO 0.52 -1.29 1.99 0.00 -0.65 0.00 0.00 174.74 175.31 3dwm h ARG 57 N 3.32 0.32 -0.37 2.88 3.08 -1.91 -2.60 114.38 119.11 3dwm h ARG 57 Ca -0.48 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 3dwm h ARG 57 Cb 1.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3dwm h ARG 57 CO 0.65 0.21 0.01 1.19 -1.07 0.00 0.00 179.97 180.96 3dwm n PHE 58 N -4.46 1.32 -5.24 3.04 3.72 -1.26 -4.90 117.46 109.69 3dwm n PHE 58 Ca 0.10 -0.87 -0.32 0.00 -0.05 0.00 0.00 57.45 56.31 3dwm n PHE 58 Cb 0.41 -0.39 -0.16 0.00 -0.94 0.00 0.00 39.48 38.39 3dwm n PHE 58 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dwm s VAL 59 N -2.84 2.10 -0.01 -4.37 1.01 -0.98 0.50 120.40 115.81 3dwm s VAL 59 Ca 0.46 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3dwm s VAL 59 Cb 0.37 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3dwm s VAL 59 CO 0.11 0.57 0.08 0.20 0.00 0.00 0.00 175.10 176.06 3dwm s ASN 60 N -0.03 5.72 -0.04 3.32 0.01 0.12 -4.71 114.94 119.33 3dwm s ASN 60 Ca -0.08 0.17 -0.01 0.00 -0.71 0.00 0.00 52.86 52.23 3dwm s ASN 60 Cb -0.15 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 39.88 3dwm s ASN 60 CO 0.05 0.28 0.04 -0.63 -1.51 0.00 0.00 177.10 175.33 3dwm s ILE 61 N -1.18 0.00 -0.11 0.60 1.01 -1.26 -0.96 121.20 119.29 3dwm s ILE 61 Ca 0.22 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 3dwm s ILE 61 Cb -0.12 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3dwm s ILE 61 CO 0.13 0.17 -0.04 -0.31 0.00 0.00 0.00 174.94 174.90 3dwm s TYR 62 N 1.82 3.03 -0.26 3.97 1.51 -0.52 -2.23 117.35 124.67 3dwm s TYR 62 Ca 0.01 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 55.87 3dwm s TYR 62 Cb -0.12 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 3dwm s TYR 62 CO -0.03 0.19 0.16 0.08 -1.11 0.00 0.00 175.55 174.84 3dwm s VAL 63 N -0.26 5.24 -1.46 0.71 1.01 -0.22 -0.83 120.40 124.59 3dwm s VAL 63 Ca 0.05 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3dwm s VAL 63 Cb -0.13 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3dwm s VAL 63 CO 0.02 0.31 0.18 0.59 0.00 0.00 0.00 175.10 176.21 3dwm n ASN 64 N 4.63 -0.34 0.00 3.32 3.02 0.06 0.02 115.26 125.96 3dwm n ASN 64 Ca -0.15 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 3dwm n ASN 64 Cb 0.52 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 3dwm n ASN 64 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dwm n ASP 65 N -2.71 0.00 -4.68 6.41 5.75 -1.26 -5.00 116.55 115.07 3dwm n ASP 65 Ca -0.27 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.15 3dwm n ASP 65 Cb 0.67 -0.30 -0.09 0.00 -1.03 0.00 0.00 41.12 40.37 3dwm n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3dwm s GLU 66 N -0.03 4.09 -0.07 0.11 2.02 0.10 -5.06 118.70 119.86 3dwm s GLU 66 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 3dwm s GLU 66 Cb 0.00 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3dwm s GLU 66 CO 0.00 0.20 1.30 0.34 0.02 0.00 0.00 175.26 177.12 3dwm s ASP 67 N 0.64 6.95 0.42 -0.19 -1.08 -1.26 -1.05 116.67 121.09 3dwm s ASP 67 Ca 0.07 1.89 0.11 0.00 -0.52 0.00 0.00 52.55 54.10 3dwm s ASP 67 Cb -0.12 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.70 3dwm s ASP 67 CO 0.01 -0.69 1.99 -0.37 0.52 0.00 0.00 175.17 176.64 3dwm h VAL 68 N 5.14 1.13 0.00 1.11 -1.51 -1.81 0.12 116.25 120.43 3dwm h VAL 68 Ca -0.33 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3dwm h VAL 68 Cb 1.15 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3dwm h VAL 68 CO 0.91 0.17 0.26 0.54 -1.23 0.00 0.00 177.57 178.22 3dwm n ARG 69 N -4.36 0.08 0.00 5.19 1.74 -1.26 -0.50 116.66 117.54 3dwm n ARG 69 Ca -0.01 0.53 0.05 0.00 -0.77 0.00 0.00 57.85 57.65 3dwm n ARG 69 Cb 0.20 -2.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.64 3dwm n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dwm n PHE 70 N -1.93 0.00 -0.39 -1.55 0.99 0.03 -4.58 117.46 110.03 3dwm n PHE 70 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.48 3dwm n PHE 70 Cb 0.28 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.82 3dwm n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3dwm n SER 71 N 0.05 2.23 0.00 4.37 3.41 0.34 -4.98 113.62 119.04 3dwm n SER 71 Ca 0.05 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3dwm n SER 71 Cb 0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3dwm n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwm n GLY 72 N -0.75 1.30 7.00 5.00 0.00 -0.93 -3.94 105.19 112.87 3dwm n GLY 72 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3dwm n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwm n GLY 73 N -1.31 2.53 0.25 -0.02 0.00 -0.10 -1.25 105.19 105.28 3dwm n GLY 73 Ca 0.00 0.36 0.15 0.00 0.00 0.00 0.00 46.02 46.53 3dwm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwm h LEU 74 N 0.00 0.00 -0.39 0.99 3.38 -1.90 -1.79 115.31 115.61 3dwm h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dwm h LEU 74 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dwm h LEU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3dwm h ALA 75 N 2.01 1.00 -1.10 1.53 0.00 -1.51 0.18 119.26 121.37 3dwm h ALA 75 Ca 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 54.91 54.07 3dwm h ALA 75 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dwm h ALA 75 CO 0.00 0.00 0.76 2.41 0.00 0.00 0.00 179.25 182.42 3dwm n THR 76 N -2.82 0.07 -1.97 0.00 -1.04 -0.67 -4.64 114.28 103.21 3dwm n THR 76 Ca 0.03 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.67 3dwm n THR 76 Cb 0.43 -0.67 0.04 0.00 -1.82 0.00 0.00 70.33 68.30 3dwm n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwm s ALA 77 N 3.24 2.53 -0.07 2.41 0.00 -1.26 -1.29 121.76 127.32 3dwm s ALA 77 Ca 1.04 1.05 -0.00 0.00 0.00 0.00 0.00 51.96 54.05 3dwm s ALA 77 Cb -1.40 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 18.28 3dwm s ALA 77 CO 0.78 -1.23 -0.03 0.42 0.00 0.00 0.00 175.76 175.70 3dwm s ILE 78 N -1.55 0.60 0.27 0.00 1.01 0.25 -4.82 121.20 116.97 3dwm s ILE 78 Ca 0.78 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 61.43 3dwm s ILE 78 Cb -0.32 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3dwm s ILE 78 CO 0.34 0.28 0.30 0.00 0.00 0.00 0.00 174.94 175.86 3dwm s ALA 79 N 1.58 3.82 0.42 9.38 0.00 -1.26 -4.65 121.76 131.04 3dwm s ALA 79 Ca -0.00 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 50.30 3dwm s ALA 79 Cb -0.13 -1.46 -0.08 0.00 0.00 0.00 0.00 23.12 21.45 3dwm s ALA 79 CO -0.04 0.17 1.28 0.34 0.00 0.00 0.00 175.76 177.51 3dwm s ASP 80 N -3.95 6.24 0.00 0.00 2.15 -1.26 -1.79 116.67 118.06 3dwm s ASP 80 Ca 0.36 2.61 0.00 0.00 0.43 0.00 0.00 52.55 55.95 3dwm s ASP 80 Cb -0.08 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3dwm s ASP 80 CO 0.27 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 3dwm n GLY 81 N 0.65 0.12 3.62 2.66 0.00 -1.04 -5.01 105.19 106.19 3dwm n GLY 81 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3dwm n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwm s ASP 82 N -2.04 2.31 0.18 1.61 1.11 -0.74 -4.93 116.67 114.18 3dwm s ASP 82 Ca 0.00 2.00 0.11 0.00 0.18 0.00 0.00 52.55 54.84 3dwm s ASP 82 Cb 0.00 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 3dwm s ASP 82 CO 0.00 -3.46 -0.22 -0.94 1.18 0.00 0.00 175.17 171.74 3dwm s SER 83 N -2.61 3.58 0.03 0.27 1.04 -1.26 -3.46 113.70 111.28 3dwm s SER 83 Ca 0.67 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 56.38 3dwm s SER 83 Cb -0.23 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 3dwm s SER 83 CO 0.60 0.13 -0.19 -0.69 0.98 0.00 0.00 173.24 174.06 3dwm s VAL 84 N -1.59 1.56 -0.11 5.02 1.01 -0.38 -0.76 120.40 125.16 3dwm s VAL 84 Ca 0.21 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3dwm s VAL 84 Cb -0.08 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.00 3dwm s VAL 84 CO 0.10 0.24 0.07 -0.89 0.00 0.00 0.00 175.10 174.62 3dwm s THR 85 N -0.71 -0.02 -0.21 3.92 2.01 -0.01 -1.20 115.64 119.43 3dwm s THR 85 Ca 0.07 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 3dwm s THR 85 Cb -0.08 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 3dwm s THR 85 CO 0.01 -0.02 0.20 -0.63 -0.69 0.00 0.00 174.62 173.49 3dwm s ILE 86 N 2.12 5.35 -0.03 1.82 1.01 -1.05 -1.44 121.20 128.98 3dwm s ILE 86 Ca 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3dwm s ILE 86 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3dwm s ILE 86 CO -0.06 0.38 0.08 -0.76 0.00 0.00 0.00 174.94 174.57 3dwm s LEU 87 N 0.73 1.71 0.31 2.97 1.43 -0.14 -3.66 118.68 122.03 3dwm s LEU 87 Ca 0.11 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 3dwm s LEU 87 Cb -0.13 0.27 -0.11 0.00 0.03 0.00 0.00 46.19 46.25 3dwm s LEU 87 CO 0.02 -0.04 1.59 -2.84 0.23 0.00 0.00 176.35 175.32 3dwm s PRO 88 N -0.01 4.10 0.37 1.29 0.02 -1.26 0.13 135.00 139.65 3dwm s PRO 88 Ca -0.00 2.61 -0.26 0.00 0.02 0.00 0.00 61.00 63.36 3dwm s PRO 88 Cb -0.01 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.42 3dwm s PRO 88 CO 0.00 -0.64 1.18 0.00 -0.33 0.00 0.00 177.00 177.21 3dwm s ALA 89 N -0.16 3.24 -1.22 -1.55 0.00 0.18 -4.72 121.76 117.54 3dwm s ALA 89 Ca 0.62 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.69 3dwm s ALA 89 Cb -0.48 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.32 3dwm s ALA 89 CO 0.51 -0.50 0.81 1.33 0.00 0.00 0.00 175.76 177.90