#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 n SER 2 N 0.00 0.05 -4.81 1.61 7.64 -1.26 -5.11 113.62 111.74 1x66 n SER 2 Ca 0.00 -2.02 -0.37 0.00 1.01 0.00 0.00 58.87 57.48 1x66 n SER 2 Cb 0.00 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1x66 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 3 N -1.70 6.66 -0.38 6.43 0.01 -1.26 -4.44 113.70 119.02 1x66 s SER 3 Ca 0.18 0.78 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 1x66 s SER 3 Cb 0.23 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1x66 s SER 3 CO -0.09 0.27 0.32 0.61 0.41 0.00 0.00 173.24 174.76 1x66 n GLY 4 N 2.28 0.20 0.23 3.44 0.00 -1.26 -4.96 105.19 105.12 1x66 n GLY 4 Ca -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1x66 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x66 h SER 5 N -0.51 0.42 -3.19 1.61 0.87 -2.02 -3.46 113.55 107.26 1x66 h SER 5 Ca -0.20 -0.15 -0.40 0.00 -1.23 0.00 0.00 61.79 59.82 1x66 h SER 5 Cb 1.11 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1x66 h SER 5 CO 0.16 0.70 -0.53 -0.24 -0.53 0.00 0.00 176.83 176.39 1x66 n SER 6 N -4.10 -5.76 0.00 6.23 2.88 -1.26 -4.73 113.62 106.89 1x66 n SER 6 Ca -0.01 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1x66 n SER 6 Cb 0.42 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.15 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 7 N -1.14 0.89 3.69 0.46 0.00 -1.26 -5.03 105.19 102.80 1x66 n GLY 7 Ca -0.21 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1x66 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 8 N -1.92 0.73 0.24 1.61 0.04 -1.26 -4.97 135.00 129.46 1x66 s PRO 8 Ca 0.00 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1x66 s PRO 8 Cb 0.00 -1.76 0.27 0.00 0.04 0.00 0.00 34.50 33.05 1x66 s PRO 8 CO 0.00 -2.56 1.61 -1.00 0.04 0.00 0.00 177.00 175.09 1x66 h PRO 9 N -1.77 0.44 0.00 0.56 0.13 -1.95 -3.46 132.00 125.95 1x66 h PRO 9 Ca -0.53 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1x66 h PRO 9 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x66 h PRO 9 CO 0.56 0.80 0.00 -1.71 -0.23 0.00 0.00 178.00 177.42 1x66 n ASN 10 N -4.00 0.00 -4.65 1.44 5.15 -1.26 -5.11 115.26 106.82 1x66 n ASN 10 Ca -0.02 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.54 1x66 n ASN 10 Cb 0.52 0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.76 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1x66 s MET 11 N -1.24 4.07 -0.32 1.20 -1.94 -1.26 -4.99 119.30 114.82 1x66 s MET 11 Ca 0.00 1.74 -0.12 0.00 -1.71 0.00 0.00 55.69 55.60 1x66 s MET 11 Cb 0.00 -3.90 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 1x66 s MET 11 CO 0.00 -0.94 0.21 0.99 -0.01 0.00 0.00 175.02 175.27 1x66 s THR 12 N 4.18 5.12 0.06 2.05 2.01 -1.26 -4.85 115.64 122.95 1x66 s THR 12 Ca 0.64 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 62.15 1x66 s THR 12 Cb -0.25 -3.60 0.10 0.00 0.01 0.00 0.00 72.50 68.76 1x66 s THR 12 CO 0.23 0.05 1.16 0.28 -0.69 0.00 0.00 174.62 175.65 1x66 s THR 13 N 1.70 0.00 0.50 -0.82 -1.32 -1.26 -5.17 115.64 109.27 1x66 s THR 13 Ca 0.06 -0.40 -0.08 0.00 -1.21 0.00 0.00 61.69 60.06 1x66 s THR 13 Cb -0.17 -2.18 0.13 0.00 -1.51 0.00 0.00 72.50 68.77 1x66 s THR 13 CO 0.10 0.00 0.35 -3.20 -2.21 0.00 0.00 174.62 169.66 1x66 n ASN 14 N -0.62 -2.24 -3.50 8.08 5.15 -1.26 -4.92 115.26 115.96 1x66 n ASN 14 Ca -0.06 -0.49 -0.29 0.00 -0.60 0.00 0.00 54.58 53.13 1x66 n ASN 14 Cb 0.61 -0.37 0.28 0.00 -0.53 0.00 0.00 39.78 39.78 1x66 n ASN 14 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1x66 n GLU 15 N -3.13 -4.29 -2.15 1.20 0.28 -1.26 -3.68 120.64 107.61 1x66 n GLU 15 Ca 0.05 -1.27 -0.21 0.00 -0.16 0.00 0.00 57.16 55.58 1x66 n GLU 15 Cb 0.22 -1.93 -0.04 0.00 1.43 0.00 0.00 31.44 31.12 1x66 n GLU 15 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1x66 n ARG 16 N -5.36 -1.60 -1.45 3.44 0.63 -1.26 -4.96 116.66 106.10 1x66 n ARG 16 Ca 0.11 1.09 -0.29 0.00 -0.92 0.00 0.00 57.85 57.83 1x66 n ARG 16 Cb 0.57 -5.66 0.12 0.00 0.45 0.00 0.00 32.46 27.94 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1x66 s ARG 17 N -4.64 1.49 0.02 -0.14 1.70 -1.24 -5.00 118.95 111.14 1x66 s ARG 17 Ca 0.00 0.56 0.05 0.00 -0.47 0.00 0.00 55.73 55.87 1x66 s ARG 17 Cb 0.00 -1.86 -0.03 0.00 -0.57 0.00 0.00 34.95 32.49 1x66 s ARG 17 CO 0.00 -2.01 -0.13 0.08 -1.08 0.00 0.00 175.30 172.16 1x66 s VAL 18 N -3.13 3.19 -0.64 4.99 1.01 -1.26 -5.09 120.40 119.47 1x66 s VAL 18 Ca 0.63 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1x66 s VAL 18 Cb -0.16 -2.36 0.16 0.00 0.00 0.00 0.00 36.38 34.03 1x66 s VAL 18 CO 0.55 0.39 0.44 -0.63 0.00 0.00 0.00 175.10 175.84 1x66 s ILE 19 N -0.94 3.31 0.17 2.22 1.01 -1.26 -4.93 121.20 120.78 1x66 s ILE 19 Ca 0.15 -3.43 0.11 0.00 0.00 0.00 0.00 60.65 57.49 1x66 s ILE 19 Cb -0.11 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1x66 s ILE 19 CO 0.06 -0.90 -0.22 0.68 0.00 0.00 0.00 174.94 174.56 1x66 s VAL 20 N -0.55 2.50 0.62 2.92 -7.23 -1.26 -5.13 120.40 112.28 1x66 s VAL 20 Ca 0.20 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 1x66 s VAL 20 Cb -0.18 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1x66 s VAL 20 CO -0.06 -0.05 1.11 -2.16 -0.31 0.00 0.00 175.10 173.64 1x66 s PRO 21 N -2.51 2.97 0.03 4.82 0.04 -1.26 -4.98 135.00 134.10 1x66 s PRO 21 Ca 0.20 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1x66 s PRO 21 Cb -0.09 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1x66 s PRO 21 CO 0.10 -1.13 1.16 0.00 0.04 0.00 0.00 177.00 177.17 1x66 h ALA 22 N 0.37 -0.71 -1.13 8.56 0.00 -1.86 -3.39 119.26 121.09 1x66 h ALA 22 Ca -0.48 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 1x66 h ALA 22 Cb 1.25 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1x66 h ALA 22 CO 0.55 -0.74 1.44 -0.25 0.00 0.00 0.00 179.25 180.25 1x66 n ASP 23 N -3.28 2.15 0.00 0.00 9.92 -1.22 -4.73 116.55 119.40 1x66 n ASP 23 Ca -0.03 0.35 0.07 0.00 -0.53 0.00 0.00 54.79 54.66 1x66 n ASP 23 Cb 0.12 -1.28 0.32 0.00 -0.64 0.00 0.00 41.12 39.64 1x66 n ASP 23 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1x66 n PRO 24 N 8.28 0.06 0.13 -0.24 -0.04 -1.26 -2.32 135.00 139.61 1x66 n PRO 24 Ca 0.41 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 64.13 1x66 n PRO 24 Cb 0.25 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.23 1x66 n PRO 24 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x66 h THR 25 N 0.00 0.65 -0.01 0.52 1.35 -1.87 -3.20 112.91 110.36 1x66 h THR 25 Ca 0.00 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1x66 h THR 25 Cb 0.21 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1x66 h THR 25 CO 0.00 0.37 -0.05 0.18 -0.25 0.00 0.00 175.52 175.77 1x66 n LEU 26 N -3.12 0.97 -4.70 3.87 4.77 -0.98 -3.77 117.00 114.04 1x66 n LEU 26 Ca 0.00 -0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 1x66 n LEU 26 Cb 0.72 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1x66 n LEU 26 CO 0.40 0.17 1.28 0.26 -1.33 0.00 0.00 177.39 178.17 1x66 s TRP 27 N -2.14 2.65 1.08 -1.77 0.51 -1.21 -4.93 118.94 113.14 1x66 s TRP 27 Ca 0.37 0.46 -0.17 0.00 -2.12 0.00 0.00 56.10 54.63 1x66 s TRP 27 Cb 0.21 -3.92 0.24 0.00 -0.81 0.00 0.00 33.47 29.18 1x66 s TRP 27 CO 0.39 -3.60 1.20 0.95 -0.51 0.00 0.00 176.95 175.38 1x66 s THR 28 N 2.17 1.80 0.47 2.01 -4.23 -1.26 -0.08 115.64 116.52 1x66 s THR 28 Ca 0.72 0.00 0.40 0.00 -1.18 0.00 0.00 61.69 61.63 1x66 s THR 28 Cb -0.40 -2.73 0.40 0.00 1.34 0.00 0.00 72.50 71.11 1x66 s THR 28 CO 0.32 0.00 2.22 -0.61 -0.54 0.00 0.00 174.62 176.01 1x66 h GLN 29 N -2.11 0.00 0.05 3.99 4.15 -1.92 -2.33 115.11 116.94 1x66 h GLN 29 Ca -0.45 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.61 1x66 h GLN 29 Cb 1.27 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 1x66 h GLN 29 CO 0.37 0.00 -2.05 -1.91 -1.93 0.00 0.00 178.83 173.31 1x66 n GLU 30 N -2.90 0.67 -0.08 1.69 2.13 -1.26 -4.25 120.64 116.64 1x66 n GLU 30 Ca -0.03 0.30 -0.07 0.00 0.66 0.00 0.00 57.16 58.02 1x66 n GLU 30 Cb 0.07 -1.64 -0.00 0.00 0.27 0.00 0.00 31.44 30.13 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x66 h HIS 31 N -0.30 -0.47 -0.88 4.31 3.86 -1.76 0.13 115.15 120.05 1x66 h HIS 31 Ca -0.49 0.04 0.25 0.00 -1.16 0.00 0.00 60.37 59.02 1x66 h HIS 31 Cb 1.80 0.25 -0.04 0.00 1.06 0.00 0.00 27.41 30.49 1x66 h HIS 31 CO 0.05 -0.26 0.63 0.28 0.86 0.00 0.00 177.93 179.49 1x66 h VAL 32 N -0.15 0.56 0.04 2.45 2.07 -1.68 -0.45 116.25 119.09 1x66 h VAL 32 Ca 0.16 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1x66 h VAL 32 Cb 0.39 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x66 h VAL 32 CO -0.40 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.20 1x66 h ARG 33 N 0.00 -0.05 -0.48 1.57 3.08 -0.97 -3.09 114.38 114.44 1x66 h ARG 33 Ca 0.42 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.55 1x66 h ARG 33 Cb 1.68 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.67 1x66 h ARG 33 CO -0.00 0.60 0.07 1.96 -1.07 0.00 0.00 179.97 181.53 1x66 h GLN 34 N -0.92 0.19 -1.00 0.04 4.20 -0.18 -0.87 115.11 116.57 1x66 h GLN 34 Ca -0.00 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1x66 h GLN 34 Cb 0.67 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 1x66 h GLN 34 CO 0.01 0.13 0.64 2.35 -0.67 0.00 0.00 178.83 181.29 1x66 h TRP 35 N 0.20 1.17 0.85 2.96 7.01 -1.25 -1.18 115.95 125.71 1x66 h TRP 35 Ca 0.24 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 1x66 h TRP 35 Cb 0.33 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1x66 h TRP 35 CO -0.24 0.55 -0.41 1.25 -2.79 0.00 0.00 178.44 176.80 1x66 h LEU 36 N 1.10 -0.97 -2.02 0.65 5.85 -1.09 -0.16 115.31 118.67 1x66 h LEU 36 Ca 0.46 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.34 1x66 h LEU 36 Cb 0.29 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1x66 h LEU 36 CO -0.21 -0.69 0.40 -0.33 -0.34 0.00 0.00 178.44 177.28 1x66 h GLU 37 N -1.16 0.00 0.31 1.25 5.08 -1.20 -1.55 114.58 117.30 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x66 h GLU 37 CO 0.19 0.00 -0.15 2.35 -1.00 0.00 0.00 179.01 180.41 1x66 h TRP 38 N 0.00 -0.38 -0.87 4.33 7.01 -0.79 -2.56 115.95 122.70 1x66 h TRP 38 Ca 0.21 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.45 1x66 h TRP 38 Cb 1.01 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 1x66 h TRP 38 CO 0.00 -0.24 0.62 0.00 -2.79 0.00 0.00 178.44 176.03 1x66 h ALA 39 N -1.30 2.75 -0.07 2.65 0.00 -0.60 0.30 119.26 123.00 1x66 h ALA 39 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1x66 h ALA 39 Cb 0.32 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x66 h ALA 39 CO 0.07 -1.00 -0.08 0.82 0.00 0.00 0.00 179.25 179.06 1x66 h ILE 40 N 0.04 1.37 0.00 0.00 2.04 -1.33 0.25 117.51 119.88 1x66 h ILE 40 Ca 0.42 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1x66 h ILE 40 Cb 1.60 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1x66 h ILE 40 CO -0.03 0.35 0.00 0.07 0.00 0.00 0.00 178.15 178.54 1x66 h LYS 41 N -0.26 0.00 0.00 2.37 2.10 -0.65 0.34 116.57 120.48 1x66 h LYS 41 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 1x66 h LYS 41 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1x66 h LYS 41 CO 0.02 0.00 -0.59 1.49 -2.00 0.00 0.00 179.45 178.37 1x66 h GLU 42 N 0.00 0.00 -0.26 0.07 4.57 -0.40 -3.36 114.58 115.20 1x66 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x66 h GLU 42 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1x66 h GLU 42 CO 0.00 0.47 0.00 0.66 -1.18 0.00 0.00 179.01 178.96 1x66 n TYR 43 N -4.59 0.34 -3.65 0.92 4.01 0.85 -4.93 117.16 110.12 1x66 n TYR 43 Ca -0.14 -0.17 -0.27 0.00 -0.16 0.00 0.00 57.90 57.16 1x66 n TYR 43 Cb 0.38 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.45 1x66 n TYR 43 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x66 n SER 44 N 0.35 -4.26 -4.86 7.72 2.88 0.67 -4.96 113.62 111.16 1x66 n SER 44 Ca 0.13 -0.94 -0.32 0.00 -1.33 0.00 0.00 58.87 56.41 1x66 n SER 44 Cb 0.28 -3.74 -0.05 0.00 -0.75 0.00 0.00 64.21 59.95 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x66 s LEU 45 N -6.40 4.01 0.15 2.46 1.43 0.86 -5.01 118.68 116.18 1x66 s LEU 45 Ca 0.34 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 1x66 s LEU 45 Cb -0.11 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.09 1x66 s LEU 45 CO 0.84 -0.25 0.19 -0.04 0.23 0.00 0.00 176.35 177.32 1x66 s MET 46 N -3.23 1.06 -1.43 1.70 -1.94 -1.26 -4.82 119.30 109.38 1x66 s MET 46 Ca 0.52 -1.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1x66 s MET 46 Cb -0.10 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.22 -0.35 0.20 0.39 -0.01 0.00 0.00 175.02 175.47 1x66 n GLU 47 N -0.16 -2.47 -4.32 2.03 1.02 -1.26 -4.68 120.64 110.81 1x66 n GLU 47 Ca -0.07 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.55 1x66 n GLU 47 Cb 0.63 -5.33 -0.10 0.00 -0.02 0.00 0.00 31.44 26.62 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -2.95 4.30 -0.99 -3.67 2.07 -1.26 -3.61 121.20 115.08 1x66 s ILE 48 Ca 0.10 -0.24 -0.15 0.00 -1.41 0.00 0.00 60.65 58.95 1x66 s ILE 48 Cb -0.04 -2.85 0.19 0.00 0.13 0.00 0.00 42.46 39.89 1x66 s ILE 48 CO 0.12 0.55 1.09 -0.62 -1.91 0.00 0.00 174.94 174.18 1x66 s ASP 49 N -0.37 6.87 0.54 4.50 -1.08 0.85 -4.84 116.67 123.13 1x66 s ASP 49 Ca 0.07 -2.66 0.26 0.00 -0.52 0.00 0.00 52.55 49.70 1x66 s ASP 49 Cb -0.12 -2.32 1.54 0.00 -1.46 0.00 0.00 42.92 40.56 1x66 s ASP 49 CO 0.02 -0.74 2.15 0.71 0.52 0.00 0.00 175.17 177.82 1x66 h THR 50 N 4.97 0.65 -0.60 1.71 1.35 -1.97 -2.11 112.91 116.91 1x66 h THR 50 Ca 0.18 -0.28 0.04 0.00 -0.55 0.00 0.00 66.41 65.80 1x66 h THR 50 Cb 0.97 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1x66 h THR 50 CO 1.02 0.07 0.39 0.77 -0.25 0.00 0.00 175.52 177.53 1x66 h SER 51 N 0.00 0.58 -0.29 5.36 4.64 -1.97 -0.68 113.55 121.19 1x66 h SER 51 Ca -0.00 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1x66 h SER 51 Cb 0.17 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1x66 h SER 51 CO 0.01 0.39 0.29 0.15 -0.87 0.00 0.00 176.83 176.81 1x66 h PHE 52 N 0.67 0.00 -0.29 4.77 3.04 -1.77 0.19 116.94 123.55 1x66 h PHE 52 Ca 0.24 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.11 1x66 h PHE 52 Cb 0.13 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.59 1x66 h PHE 52 CO -0.00 0.00 -0.03 1.19 -2.02 0.00 0.00 178.31 177.45 1x66 n PHE 53 N -3.84 0.95 0.28 0.41 3.01 -0.28 -4.59 117.46 113.40 1x66 n PHE 53 Ca 0.04 -1.22 0.15 0.00 1.01 0.00 0.00 57.45 57.44 1x66 n PHE 53 Cb 0.44 -0.39 0.85 0.00 -0.01 0.00 0.00 39.48 40.38 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 1.29 0.00 0.00 -1.08 -0.00 -0.43 -3.15 115.11 111.74 1x66 h GLN 54 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.65 1x66 h GLN 54 Cb 1.52 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 28.80 1x66 h GLN 54 CO 0.29 0.06 -0.70 0.27 -0.00 0.00 0.00 178.83 178.76 1x66 n ASN 55 N -3.52 0.36 -4.46 0.06 0.23 -1.26 -4.90 115.26 101.78 1x66 n ASN 55 Ca -0.02 -1.92 -0.43 0.00 -0.53 0.00 0.00 54.58 51.68 1x66 n ASN 55 Cb 0.19 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.67 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1x66 s MET 56 N 0.00 3.15 0.67 -3.83 1.75 -1.19 -4.94 119.30 114.90 1x66 s MET 56 Ca 0.16 -0.75 -0.17 0.00 -1.25 0.00 0.00 55.69 53.68 1x66 s MET 56 Cb 0.19 -4.19 -0.00 0.00 2.84 0.00 0.00 34.83 33.67 1x66 s MET 56 CO -0.08 -1.71 1.25 -0.40 -0.65 0.00 0.00 175.02 173.43 1x66 n ASP 57 N 7.52 1.79 -0.41 1.11 5.68 -1.26 -4.61 116.55 126.36 1x66 n ASP 57 Ca -0.03 0.79 0.33 0.00 -0.50 0.00 0.00 54.79 55.38 1x66 n ASP 57 Cb 0.46 -1.53 0.62 0.00 -1.14 0.00 0.00 41.12 39.52 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.31 1.18 0.90 6.12 0.00 -0.63 0.41 103.07 111.35 1x66 h GLY 58 Ca -0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.52 -0.29 0.09 0.50 0.00 0.00 0.00 176.54 177.36 1x66 h LYS 59 N 0.17 0.43 0.00 4.80 1.79 -1.76 -0.23 116.57 121.77 1x66 h LYS 59 Ca 0.74 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1x66 h LYS 59 Cb 2.28 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.86 1x66 h LYS 59 CO -0.35 0.48 0.00 0.39 -1.08 0.00 0.00 179.45 178.89 1x66 n GLU 60 N -4.73 0.04 -0.01 3.15 1.02 0.12 -2.61 120.64 117.63 1x66 n GLU 60 Ca -0.03 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 1x66 n GLU 60 Cb 0.15 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1x66 n GLU 60 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1x66 n LEU 61 N -1.64 1.39 0.07 -4.62 7.94 -0.12 -3.38 117.00 116.65 1x66 n LEU 61 Ca 0.05 0.35 0.13 0.00 -1.11 0.00 0.00 56.01 55.43 1x66 n LEU 61 Cb 0.28 -0.21 0.36 0.00 0.53 0.00 0.00 43.42 44.37 1x66 n LEU 61 CO 0.22 0.53 0.71 0.00 -1.11 0.00 0.00 177.39 177.74 1x66 h LYS 63 N 0.00 0.07 -6.69 0.00 2.10 -1.63 -3.47 116.57 106.95 1x66 h LYS 63 Ca 0.00 -0.12 -0.58 0.00 -2.00 0.00 0.00 60.65 57.95 1x66 h LYS 63 Cb 0.69 0.05 0.14 0.00 -0.90 0.00 0.00 32.23 32.21 1x66 h LYS 63 CO 0.00 0.72 0.13 -1.33 -2.00 0.00 0.00 179.45 176.97 1x66 n MET 64 N -3.19 1.21 -3.67 0.07 2.81 -1.22 -5.01 117.12 108.13 1x66 n MET 64 Ca -0.18 0.44 -0.22 0.00 -1.81 0.00 0.00 57.70 55.93 1x66 n MET 64 Cb 1.04 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 1x66 n MET 64 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1x66 n ASN 65 N 0.17 2.73 -0.25 7.83 0.23 -1.26 -4.92 115.26 119.80 1x66 n ASN 65 Ca 0.10 -2.55 0.05 0.00 -0.53 0.00 0.00 54.58 51.66 1x66 n ASN 65 Cb 0.42 0.14 0.18 0.00 -2.08 0.00 0.00 39.78 38.44 1x66 n ASN 65 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1x66 h LYS 66 N 0.00 0.38 0.73 -3.83 1.63 -1.95 0.26 116.57 113.80 1x66 h LYS 66 Ca -0.29 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.45 1x66 h LYS 66 Cb 0.94 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.50 1x66 h LYS 66 CO 0.47 0.25 -0.35 0.93 -3.45 0.00 0.00 179.45 177.31 1x66 h GLU 67 N 0.40 -0.94 -0.96 1.90 5.08 -1.98 0.27 114.58 118.35 1x66 h GLU 67 Ca 0.41 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 59.02 1x66 h GLU 67 Cb 0.63 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.01 1x66 h GLU 67 CO -0.42 -0.63 0.61 -0.44 -1.00 0.00 0.00 179.01 177.13 1x66 h ASP 68 N -1.02 0.62 0.33 1.42 3.32 -1.87 0.19 116.42 119.42 1x66 h ASP 68 Ca -0.10 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1x66 h ASP 68 Cb 0.75 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1x66 h ASP 68 CO 0.16 0.24 -0.60 -0.26 -1.72 0.00 0.00 179.24 177.06 1x66 h PHE 69 N 0.62 0.35 0.00 4.55 0.04 -0.30 -2.83 116.94 119.36 1x66 h PHE 69 Ca 0.53 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1x66 h PHE 69 Cb 1.01 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1x66 h PHE 69 CO -0.00 0.81 0.00 -0.07 -0.60 0.00 0.00 178.31 178.44 1x66 h LEU 70 N 0.20 0.00 -0.33 1.54 3.38 0.27 0.25 115.31 120.62 1x66 h LEU 70 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x66 h LEU 70 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x66 h LEU 70 CO 0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.17 1x66 n ARG 71 N -2.89 1.22 0.00 1.13 1.74 -0.80 -4.05 116.66 113.01 1x66 n ARG 71 Ca 0.01 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1x66 n ARG 71 Cb 0.27 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.54 1.94 -2.44 7.54 0.00 -0.77 -5.03 120.51 121.22 1x66 n ALA 72 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.17 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.37 1.97 1.03 0.00 -1.32 0.80 -0.10 115.64 116.64 1x66 s THR 73 Ca 0.00 -2.04 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1x66 s THR 73 Cb 0.00 -1.97 0.21 0.00 -1.51 0.00 0.00 72.50 69.23 1x66 s THR 73 CO 0.00 -0.34 1.08 0.28 -2.21 0.00 0.00 174.62 173.43 1x66 s THR 74 N -2.19 2.17 0.11 5.08 -1.32 -1.24 -4.04 115.64 114.20 1x66 s THR 74 Ca 0.19 0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.50 1x66 s THR 74 Cb -0.05 -2.19 -0.08 0.00 -1.51 0.00 0.00 72.50 68.67 1x66 s THR 74 CO 0.08 -0.07 1.70 0.25 -2.21 0.00 0.00 174.62 174.37 1x66 h LEU 75 N -2.17 -0.26 -0.42 9.08 5.85 -1.94 0.15 115.31 125.60 1x66 h LEU 75 Ca -0.53 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.32 1x66 h LEU 75 Cb 1.30 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 1x66 h LEU 75 CO 0.48 -0.13 -0.22 0.22 -0.34 0.00 0.00 178.44 178.45 1x66 h TYR 76 N -0.14 -0.57 -0.32 1.25 5.03 -1.99 0.17 116.97 120.40 1x66 h TYR 76 Ca 0.04 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.33 1x66 h TYR 76 Cb 0.20 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1x66 h TYR 76 CO -0.17 -0.30 -0.12 -0.91 -1.32 0.00 0.00 178.16 175.34 1x66 h ASN 77 N -0.14 0.53 -0.19 -2.11 2.35 -1.85 -2.52 115.58 111.65 1x66 h ASN 77 Ca 0.20 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1x66 h ASN 77 Cb 0.46 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1x66 h ASN 77 CO -0.51 0.69 0.13 0.74 -1.65 0.00 0.00 177.43 176.83 1x66 h THR 78 N 0.51 0.99 -0.00 2.81 2.02 0.13 -0.99 112.91 118.38 1x66 h THR 78 Ca 0.09 -0.05 -0.24 0.00 0.77 0.00 0.00 66.41 66.98 1x66 h THR 78 Cb 0.51 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1x66 h THR 78 CO 0.03 0.03 -0.99 -0.33 0.37 0.00 0.00 175.52 174.63 1x66 h GLU 79 N 0.16 0.54 0.44 6.66 5.08 -0.84 -2.76 114.58 123.84 1x66 h GLU 79 Ca 0.08 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1x66 h GLU 79 Cb 0.13 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1x66 h GLU 79 CO -0.01 1.20 -0.21 0.28 -1.00 0.00 0.00 179.01 179.27 1x66 h VAL 80 N 0.30 0.43 0.01 3.13 2.07 -1.19 -1.25 116.25 119.75 1x66 h VAL 80 Ca -0.10 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1x66 h VAL 80 Cb 1.63 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1x66 h VAL 80 CO 0.18 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.48 1x66 h LEU 81 N -0.94 -0.89 -0.57 2.57 3.38 -1.34 0.26 115.31 117.78 1x66 h LEU 81 Ca -0.06 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.57 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1x66 h LEU 81 CO 0.10 -0.37 0.22 -0.07 0.09 0.00 0.00 178.44 178.41 1x66 h LEU 82 N -0.45 0.23 -0.51 1.67 -0.00 -1.57 0.23 115.31 114.92 1x66 h LEU 82 Ca 0.06 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1x66 h LEU 82 Cb 0.53 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1x66 h LEU 82 CO -0.25 0.15 0.26 -1.28 -0.00 0.00 0.00 178.44 177.32 1x66 h SER 83 N 0.41 0.65 0.66 -0.43 0.87 -0.60 0.21 113.55 115.32 1x66 h SER 83 Ca 0.28 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1x66 h SER 83 Cb 0.31 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1x66 h SER 83 CO -0.27 0.57 -0.32 -0.74 -0.53 0.00 0.00 176.83 175.54 1x66 h HIS 84 N 0.67 -0.83 -0.61 2.24 -0.00 0.30 -3.07 115.15 113.86 1x66 h HIS 84 Ca 0.18 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.60 1x66 h HIS 84 Cb 0.08 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 1x66 h HIS 84 CO -0.01 -0.48 0.41 1.25 -0.00 0.00 0.00 177.93 179.10 1x66 h LEU 85 N -1.11 0.49 -1.98 0.26 5.85 -0.56 -0.82 115.31 117.43 1x66 h LEU 85 Ca -0.09 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.87 1x66 h LEU 85 Cb 0.72 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1x66 h LEU 85 CO 0.15 0.31 0.60 -1.28 -0.34 0.00 0.00 178.44 177.89 1x66 h SER 86 N 0.56 0.01 0.00 1.25 0.87 -0.48 0.21 113.55 115.98 1x66 h SER 86 Ca 0.27 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.63 1x66 h SER 86 Cb 0.34 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1x66 h SER 86 CO -0.08 0.01 -1.12 0.22 -0.53 0.00 0.00 176.83 175.33 1x66 h TYR 87 N 0.01 0.00 -0.49 2.24 3.20 -1.17 -3.35 116.97 117.41 1x66 h TYR 87 Ca 0.40 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.35 1x66 h TYR 87 Cb 1.59 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.79 1x66 h TYR 87 CO -0.00 1.40 0.10 -0.07 -1.64 0.00 0.00 178.16 177.95 1x66 h LEU 88 N -1.00 -0.00 -1.89 2.82 4.07 -1.04 0.15 115.31 118.42 1x66 h LEU 88 Ca -0.31 0.09 0.20 0.00 0.08 0.00 0.00 57.88 57.94 1x66 h LEU 88 Cb 1.25 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 43.08 1x66 h LEU 88 CO -0.19 0.03 0.51 0.03 -1.08 0.00 0.00 178.44 177.75 1x66 h ARG 89 N 0.23 0.10 0.00 1.13 3.08 -0.79 0.24 114.38 118.37 1x66 h ARG 89 Ca 0.25 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 1x66 h ARG 89 Cb 0.33 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1x66 h ARG 89 CO -0.32 0.06 -1.13 0.93 -1.07 0.00 0.00 179.97 178.44 1x66 h GLU 90 N 0.10 0.00 -5.26 0.04 4.39 -1.05 -3.45 114.58 109.35 1x66 h GLU 90 Ca 0.35 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.42 1x66 h GLU 90 Cb 1.25 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.76 1x66 h GLU 90 CO -0.04 0.19 -0.08 -1.54 -1.16 0.00 0.00 179.01 176.38 1x66 s SER 91 N -5.70 6.35 0.00 1.42 1.04 0.84 -4.87 113.70 112.77 1x66 s SER 91 Ca -0.01 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1x66 s SER 91 Cb 0.09 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1x66 s SER 91 CO 0.79 -0.33 0.00 -1.54 0.98 0.00 0.00 173.24 173.14 1x66 n SER 92 N 5.56 0.68 -2.57 7.02 3.41 -1.26 -3.38 113.62 123.07 1x66 n SER 92 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1x66 n SER 92 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1x66 n SER 92 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x66 n SER 93 N -2.69 -4.11 0.00 4.04 2.88 -1.26 -4.56 113.62 107.92 1x66 n SER 93 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x66 n SER 93 Cb 0.35 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.34 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 94 N -0.89 0.34 3.74 0.46 0.00 -1.26 -4.98 105.19 102.59 1x66 n GLY 94 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N -0.46 1.63 0.16 1.61 0.04 -1.26 -4.97 135.00 131.76 1x66 s PRO 95 Ca 0.00 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 1x66 s PRO 95 Cb 0.00 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1x66 s PRO 95 CO 0.00 -2.02 1.48 1.03 0.04 0.00 0.00 177.00 177.53 1x66 h SER 96 N -1.39 0.83 -0.54 6.66 0.87 -2.04 -3.45 113.55 114.48 1x66 h SER 96 Ca -0.47 -0.42 -0.56 0.00 -1.23 0.00 0.00 61.79 59.12 1x66 h SER 96 Cb 1.26 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1x66 h SER 96 CO 0.53 1.17 -0.21 -0.44 -0.53 0.00 0.00 176.83 177.36 1x66 s SER 97 N -6.90 4.77 0.00 6.23 0.01 -1.26 -5.18 113.70 111.37 1x66 s SER 97 Ca -0.09 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1x66 s SER 97 Cb 0.11 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1x66 s SER 97 CO 0.86 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.86