#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 -6.25 -1.25 1.61 2.88 -1.26 -4.98 113.62 104.37 1x66 n SER 2 Ca 0.00 0.53 0.13 0.00 -1.33 0.00 0.00 58.87 58.20 1x66 n SER 2 Cb 0.00 -1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 61.92 1x66 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x66 n SER 3 N -3.57 -7.46 0.00 -3.46 7.64 -1.26 -5.06 113.62 100.45 1x66 n SER 3 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1x66 n SER 3 Cb 0.22 -2.79 0.00 0.00 -1.01 0.00 0.00 64.21 60.63 1x66 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 4 N -2.73 1.44 0.12 0.23 0.00 -1.26 -5.03 105.19 97.95 1x66 n GLY 4 Ca 0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 1x66 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x66 n SER 5 N 0.00 1.23 -2.54 1.61 7.64 -1.26 -5.09 113.62 115.21 1x66 n SER 5 Ca 0.00 -0.09 -0.04 0.00 1.01 0.00 0.00 58.87 59.75 1x66 n SER 5 Cb 0.00 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1x66 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x66 n SER 6 N -3.06 -2.14 -4.98 6.43 7.64 -1.26 -5.03 113.62 111.22 1x66 n SER 6 Ca -0.41 1.28 -0.20 0.00 1.01 0.00 0.00 58.87 60.55 1x66 n SER 6 Cb 1.05 -5.00 0.02 0.00 -1.01 0.00 0.00 64.21 59.28 1x66 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x66 s GLY 7 N -0.84 1.84 0.96 0.23 0.00 -1.26 -5.10 107.32 103.15 1x66 s GLY 7 Ca -0.21 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 42.96 1x66 s GLY 7 CO 0.74 -1.19 1.09 2.56 0.00 0.00 0.00 173.10 176.30 1x66 s PRO 8 N -4.59 0.74 0.31 2.90 0.04 -1.26 -4.99 135.00 128.14 1x66 s PRO 8 Ca 0.55 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1x66 s PRO 8 Cb -0.10 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1x66 s PRO 8 CO 0.36 -2.55 1.23 -1.25 0.04 0.00 0.00 177.00 174.83 1x66 s PRO 9 N -4.95 4.46 0.30 0.56 0.04 -1.26 -4.90 135.00 129.24 1x66 s PRO 9 Ca 0.65 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1x66 s PRO 9 Cb -0.18 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1x66 s PRO 9 CO 0.57 -0.04 0.00 -1.71 0.04 0.00 0.00 177.00 175.86 1x66 n ASN 10 N 1.01 -0.98 -4.74 6.66 5.15 -1.26 -5.12 115.26 115.99 1x66 n ASN 10 Ca -0.00 0.52 -0.33 0.00 -0.60 0.00 0.00 54.58 54.18 1x66 n ASN 10 Cb 0.43 1.09 0.09 0.00 -0.53 0.00 0.00 39.78 40.86 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 -1.86 2.13 -0.42 1.20 -1.94 -1.26 -4.97 119.30 112.17 1x66 s MET 11 Ca 0.00 1.48 -0.20 0.00 -1.71 0.00 0.00 55.69 55.26 1x66 s MET 11 Cb 0.00 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 35.00 1x66 s MET 11 CO 0.00 -1.79 0.63 0.95 -0.01 0.00 0.00 175.02 174.80 1x66 s THR 12 N -2.43 4.86 0.09 2.05 -4.23 -1.26 -5.01 115.64 109.71 1x66 s THR 12 Ca 0.68 0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 61.14 1x66 s THR 12 Cb -0.23 -4.16 0.08 0.00 1.34 0.00 0.00 72.50 69.53 1x66 s THR 12 CO 0.49 -0.51 0.67 0.28 -0.54 0.00 0.00 174.62 175.01 1x66 s THR 13 N 2.75 0.00 -0.43 3.99 -1.32 -1.26 -4.68 115.64 114.69 1x66 s THR 13 Ca 0.22 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.73 1x66 s THR 13 Cb -0.14 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.39 1x66 s THR 13 CO 0.18 0.00 1.85 -3.20 -2.21 0.00 0.00 174.62 171.23 1x66 n ASN 14 N -0.11 4.44 0.00 8.08 4.05 -1.26 -4.68 115.26 125.79 1x66 n ASN 14 Ca -0.16 -3.44 0.00 0.00 0.45 0.00 0.00 54.58 51.43 1x66 n ASN 14 Cb 0.63 -0.84 0.00 0.00 1.23 0.00 0.00 39.78 40.80 1x66 n ASN 14 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1x66 n GLU 15 N -0.86 0.00 0.00 1.20 1.02 -1.26 -5.07 120.64 115.67 1x66 n GLU 15 Ca 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1x66 n GLU 15 Cb 1.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.75 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x66 n ARG 16 N -1.61 0.00 -1.05 3.49 1.74 -1.26 -5.15 116.66 112.82 1x66 n ARG 16 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1x66 n ARG 16 Cb 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.62 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1x66 s ARG 17 N -1.38 0.48 0.38 5.56 3.03 -1.26 -4.95 118.95 120.81 1x66 s ARG 17 Ca 0.00 0.71 -0.15 0.00 2.03 0.00 0.00 55.73 58.32 1x66 s ARG 17 Cb 0.00 -1.73 -0.09 0.00 -1.03 0.00 0.00 34.95 32.11 1x66 s ARG 17 CO 0.00 -2.75 0.82 0.54 -1.13 0.00 0.00 175.30 172.78 1x66 s VAL 18 N -2.85 4.63 -0.86 4.99 0.11 -1.26 -4.75 120.40 120.40 1x66 s VAL 18 Ca 0.65 1.02 0.01 0.00 -2.93 0.00 0.00 61.98 60.74 1x66 s VAL 18 Cb -0.20 -3.64 0.31 0.00 -1.53 0.00 0.00 36.38 31.32 1x66 s VAL 18 CO 0.59 -0.34 1.35 -0.38 -3.33 0.00 0.00 175.10 172.98 1x66 n ILE 19 N -0.75 4.54 -4.19 7.04 5.41 -1.26 -5.03 119.36 125.12 1x66 n ILE 19 Ca 0.04 -5.75 -0.26 0.00 1.00 0.00 0.00 62.75 57.78 1x66 n ILE 19 Cb 0.54 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.68 1x66 n ILE 19 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1x66 s VAL 20 N -3.76 3.81 0.60 1.39 -7.23 -1.26 -5.11 120.40 108.84 1x66 s VAL 20 Ca 0.40 -1.39 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 1x66 s VAL 20 Cb 0.18 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1x66 s VAL 20 CO -0.06 -0.11 1.12 -2.16 -0.31 0.00 0.00 175.10 173.58 1x66 s PRO 21 N -2.96 3.08 0.02 4.82 0.04 -1.26 -4.98 135.00 133.76 1x66 s PRO 21 Ca 0.28 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 1x66 s PRO 21 Cb -0.09 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1x66 s PRO 21 CO 0.19 -1.04 1.12 0.00 0.04 0.00 0.00 177.00 177.31 1x66 h ALA 22 N 0.62 -0.66 -1.03 8.56 0.00 -1.98 -3.39 119.26 121.38 1x66 h ALA 22 Ca -0.48 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.75 1x66 h ALA 22 Cb 1.25 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1x66 h ALA 22 CO 0.56 -0.69 1.45 -0.25 0.00 0.00 0.00 179.25 180.32 1x66 n ASP 23 N -3.08 2.00 0.20 0.00 9.92 -1.26 -4.61 116.55 119.72 1x66 n ASP 23 Ca -0.02 0.34 0.15 0.00 -0.53 0.00 0.00 54.79 54.73 1x66 n ASP 23 Cb 0.09 -1.26 0.60 0.00 -0.64 0.00 0.00 41.12 39.91 1x66 n ASP 23 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x66 h PRO 24 N 12.76 0.00 0.00 -0.24 0.13 -1.77 -2.66 132.00 140.23 1x66 h PRO 24 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1x66 h PRO 24 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x66 h PRO 24 CO 1.05 0.00 -0.14 1.79 -0.23 0.00 0.00 178.00 180.47 1x66 h THR 25 N 0.00 0.28 -0.00 1.56 1.35 -1.87 -2.86 112.91 111.37 1x66 h THR 25 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1x66 h THR 25 Cb 0.42 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1x66 h THR 25 CO 0.00 0.14 -0.34 0.18 -0.25 0.00 0.00 175.52 175.25 1x66 n LEU 26 N -3.20 0.57 -4.71 3.87 4.77 -1.00 -3.48 117.00 113.82 1x66 n LEU 26 Ca 0.02 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1x66 n LEU 26 Cb 0.47 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1x66 n LEU 26 CO 0.33 0.12 1.27 0.79 -1.33 0.00 0.00 177.39 178.57 1x66 n TRP 27 N -1.22 2.59 -1.98 -1.77 8.01 -1.08 -4.89 117.44 117.09 1x66 n TRP 27 Ca 0.08 0.18 -0.30 0.00 -1.31 0.00 0.00 57.50 56.15 1x66 n TRP 27 Cb 0.33 -2.61 0.20 0.00 -2.01 0.00 0.00 31.31 27.23 1x66 n TRP 27 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1x66 s THR 28 N 0.77 2.00 0.18 -0.99 -4.23 -1.26 -0.07 115.64 112.04 1x66 s THR 28 Ca 0.73 -0.04 0.33 0.00 -1.18 0.00 0.00 61.69 61.53 1x66 s THR 28 Cb -0.56 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 70.65 1x66 s THR 28 CO 0.38 0.00 2.01 -0.61 -0.54 0.00 0.00 174.62 175.86 1x66 h GLN 29 N -1.69 0.00 0.06 3.99 4.15 -1.94 -2.34 115.11 117.33 1x66 h GLN 29 Ca -0.43 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.61 1x66 h GLN 29 Cb 1.22 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.86 1x66 h GLN 29 CO 0.32 0.00 -2.26 -1.91 -1.93 0.00 0.00 178.83 173.06 1x66 n GLU 30 N -2.70 0.70 0.06 1.69 4.07 -1.26 -4.25 120.64 118.96 1x66 n GLU 30 Ca -0.02 0.20 -0.11 0.00 -0.06 0.00 0.00 57.16 57.17 1x66 n GLU 30 Cb 0.10 -1.61 -0.05 0.00 -0.06 0.00 0.00 31.44 29.82 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x66 h HIS 31 N 0.03 -0.31 -0.92 4.31 3.86 -1.77 -0.86 115.15 119.49 1x66 h HIS 31 Ca -0.51 0.01 0.26 0.00 -1.16 0.00 0.00 60.37 58.97 1x66 h HIS 31 Cb 1.97 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 30.53 1x66 h HIS 31 CO 0.05 -0.19 0.65 0.28 0.86 0.00 0.00 177.93 179.59 1x66 h VAL 32 N -0.22 0.56 0.08 2.45 2.07 -1.66 0.66 116.25 120.18 1x66 h VAL 32 Ca 0.04 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1x66 h VAL 32 Cb 0.26 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1x66 h VAL 32 CO -0.10 0.01 -0.04 0.03 0.02 0.00 0.00 177.57 177.49 1x66 h ARG 33 N 0.06 -0.10 -0.67 1.57 3.08 -1.45 -3.11 114.38 113.76 1x66 h ARG 33 Ca 0.45 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.62 1x66 h ARG 33 Cb 1.67 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.66 1x66 h ARG 33 CO -0.04 0.22 0.22 1.96 -1.07 0.00 0.00 179.97 181.26 1x66 h GLN 34 N -0.99 0.36 -0.97 0.04 4.20 -0.46 -0.04 115.11 117.25 1x66 h GLN 34 Ca -0.01 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1x66 h GLN 34 Cb 0.37 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 1x66 h GLN 34 CO 0.02 0.24 0.63 2.35 -0.67 0.00 0.00 178.83 181.40 1x66 h TRP 35 N 0.37 1.14 0.84 2.96 7.01 -1.02 -1.51 115.95 125.73 1x66 h TRP 35 Ca 0.36 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.34 1x66 h TRP 35 Cb 0.51 -0.37 0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1x66 h TRP 35 CO -0.19 0.56 -0.40 1.25 -2.79 0.00 0.00 178.44 176.86 1x66 h LEU 36 N 1.09 -0.95 -1.99 0.65 5.85 -0.94 -1.06 115.31 117.95 1x66 h LEU 36 Ca 0.43 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.40 1x66 h LEU 36 Cb 0.25 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1x66 h LEU 36 CO -0.18 -0.65 0.56 -0.33 -0.34 0.00 0.00 178.44 177.49 1x66 h GLU 37 N -1.18 0.00 0.38 1.25 5.08 -1.25 -1.39 114.58 117.47 1x66 h GLU 37 Ca -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1x66 h GLU 37 CO 0.19 0.00 -0.18 2.35 -1.00 0.00 0.00 179.01 180.37 1x66 h TRP 38 N 0.00 -0.47 -0.91 4.33 7.01 -0.93 -2.30 115.95 122.68 1x66 h TRP 38 Ca 0.36 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.60 1x66 h TRP 38 Cb 1.47 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.64 1x66 h TRP 38 CO 0.00 -0.29 0.64 0.00 -2.79 0.00 0.00 178.44 176.00 1x66 h ALA 39 N -1.38 2.71 -0.02 2.65 0.00 -0.66 0.30 119.26 122.86 1x66 h ALA 39 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x66 h ALA 39 Cb 0.39 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x66 h ALA 39 CO 0.08 -0.98 -0.02 0.82 0.00 0.00 0.00 179.25 179.16 1x66 h ILE 40 N 0.09 1.37 0.00 0.00 2.04 -1.28 0.24 117.51 119.98 1x66 h ILE 40 Ca 0.45 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1x66 h ILE 40 Cb 1.62 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1x66 h ILE 40 CO -0.05 0.30 0.00 0.07 0.00 0.00 0.00 178.15 178.46 1x66 h LYS 41 N -0.41 0.00 0.00 2.37 2.10 -0.51 0.36 116.57 120.48 1x66 h LYS 41 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1x66 h LYS 41 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1x66 h LYS 41 CO 0.00 0.00 -0.54 1.49 -2.00 0.00 0.00 179.45 178.41 1x66 h GLU 42 N 0.00 0.00 -0.34 0.07 4.57 -0.40 -3.35 114.58 115.12 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 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1x66 h GLU 42 CO 0.00 0.65 0.00 0.66 -1.18 0.00 0.00 179.01 179.14 1x66 n TYR 43 N -4.58 0.45 -3.89 0.92 4.01 0.85 -4.91 117.16 110.01 1x66 n TYR 43 Ca -0.16 -0.23 -0.27 0.00 -0.16 0.00 0.00 57.90 57.09 1x66 n TYR 43 Cb 0.43 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 0.52 -2.43 -4.80 7.72 7.64 0.84 -4.93 113.62 118.18 1x66 n SER 44 Ca 0.12 -0.87 -0.34 0.00 1.01 0.00 0.00 58.87 58.80 1x66 n SER 44 Cb 0.30 -3.62 -0.02 0.00 -1.01 0.00 0.00 64.21 59.86 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -7.02 3.73 0.16 -3.43 1.43 0.88 -5.00 118.68 109.44 1x66 s LEU 45 Ca 0.31 1.88 -0.05 0.00 -1.03 0.00 0.00 54.13 55.23 1x66 s LEU 45 Cb -0.16 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 1x66 s LEU 45 CO 0.85 -0.89 0.20 -0.04 0.23 0.00 0.00 176.35 176.70 1x66 s MET 46 N -3.52 1.11 -1.45 1.70 -1.94 -1.26 -4.81 119.30 109.13 1x66 s MET 46 Ca 0.66 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1x66 s MET 46 Cb -0.16 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.01 1x66 s MET 46 CO 0.25 -0.38 0.13 0.39 -0.01 0.00 0.00 175.02 175.41 1x66 n GLU 47 N -0.19 -2.09 -4.10 2.03 1.02 -1.26 -4.63 120.64 111.41 1x66 n GLU 47 Ca -0.05 0.83 -0.35 0.00 -0.02 0.00 0.00 57.16 57.57 1x66 n GLU 47 Cb 0.64 -5.32 -0.07 0.00 -0.02 0.00 0.00 31.44 26.67 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 -2.92 4.90 -0.74 -3.67 2.07 -1.26 -3.72 121.20 115.86 1x66 s ILE 48 Ca 0.07 -0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.00 1x66 s ILE 48 Cb -0.03 -3.16 0.19 0.00 0.13 0.00 0.00 42.46 39.59 1x66 s ILE 48 CO 0.08 0.50 0.69 -0.62 -1.91 0.00 0.00 174.94 173.69 1x66 s ASP 49 N -1.29 6.57 0.45 4.50 2.15 0.85 -4.88 116.67 125.02 1x66 s ASP 49 Ca 0.18 -2.36 0.22 0.00 0.43 0.00 0.00 52.55 51.02 1x66 s ASP 49 Cb -0.12 -2.22 1.04 0.00 -0.30 0.00 0.00 42.92 41.32 1x66 s ASP 49 CO 0.08 -0.69 1.90 0.71 -0.17 0.00 0.00 175.17 177.00 1x66 h THR 50 N 5.18 0.76 0.00 1.71 1.35 -1.97 -2.56 112.91 117.38 1x66 h THR 50 Ca -0.03 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1x66 h THR 50 Cb 1.06 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1x66 h THR 50 CO 0.86 0.24 -0.12 0.77 -0.25 0.00 0.00 175.52 177.02 1x66 h SER 51 N 0.00 0.00 0.50 5.36 4.64 -1.98 -1.58 113.55 120.49 1x66 h SER 51 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1x66 h SER 51 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1x66 h SER 51 CO 0.03 0.12 -0.20 0.15 -0.87 0.00 0.00 176.83 176.06 1x66 h PHE 52 N 0.00 0.00 -0.29 4.77 3.57 -1.85 -2.51 116.94 120.63 1x66 h PHE 52 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1x66 h PHE 52 Cb 0.28 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1x66 h PHE 52 CO 0.00 0.20 -0.02 1.19 -2.23 0.00 0.00 178.31 177.45 1x66 n PHE 53 N -3.67 0.96 0.22 0.41 3.01 -0.62 -4.60 117.46 113.17 1x66 n PHE 53 Ca -0.01 -1.16 0.09 0.00 1.01 0.00 0.00 57.45 57.37 1x66 n PHE 53 Cb 0.32 -0.38 0.51 0.00 -0.01 0.00 0.00 39.48 39.92 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 1.36 0.00 -0.41 -1.08 3.07 -1.18 -3.25 115.11 113.62 1x66 h GLN 54 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.58 1x66 h GLN 54 Cb 1.51 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.67 1x66 h GLN 54 CO 0.28 0.24 -1.10 0.27 0.09 0.00 0.00 178.83 178.62 1x66 n ASN 55 N -3.61 1.70 -4.22 0.06 0.23 -1.26 -4.92 115.26 103.24 1x66 n ASN 55 Ca -0.01 -2.11 -0.41 0.00 -0.53 0.00 0.00 54.58 51.52 1x66 n ASN 55 Cb 0.38 -0.46 -0.08 0.00 -2.08 0.00 0.00 39.78 37.53 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 -3.51 2.50 0.66 -3.83 1.75 -1.23 -5.05 119.30 110.59 1x66 s MET 56 Ca 0.29 -1.76 -0.18 0.00 -1.25 0.00 0.00 55.69 52.80 1x66 s MET 56 Cb 0.33 -3.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.05 1x66 s MET 56 CO -0.05 -1.19 1.26 -0.40 -0.65 0.00 0.00 175.02 173.99 1x66 n ASP 57 N 4.92 1.89 -0.33 1.11 5.68 -1.26 -4.64 116.55 123.92 1x66 n ASP 57 Ca -0.08 0.81 0.24 0.00 -0.50 0.00 0.00 54.79 55.26 1x66 n ASP 57 Cb 0.41 -1.54 0.47 0.00 -1.14 0.00 0.00 41.12 39.32 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 0.42 1.99 0.84 6.12 0.00 -0.61 0.36 103.07 112.20 1x66 h GLY 58 Ca -0.50 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1x66 h GLY 58 CO 0.52 -0.55 0.16 0.50 0.00 0.00 0.00 176.54 177.18 1x66 h LYS 59 N 0.22 0.33 0.00 4.80 1.79 -1.75 -0.39 116.57 121.57 1x66 h LYS 59 Ca 0.73 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 1x66 h LYS 59 Cb 1.71 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1x66 h LYS 59 CO -0.66 0.22 0.00 0.39 -1.08 0.00 0.00 179.45 178.31 1x66 n GLU 60 N -4.95 0.05 0.01 3.15 -0.58 0.11 -2.70 120.64 115.73 1x66 n GLU 60 Ca 0.00 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.87 1x66 n GLU 60 Cb 0.08 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.25 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x66 h LEU 61 N 0.00 0.00 0.00 -4.62 5.85 0.44 -3.18 115.31 113.80 1x66 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x66 h LEU 61 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1x66 h LEU 61 CO 0.00 0.93 -0.43 0.00 -0.34 0.00 0.00 178.44 178.60 1x66 h LYS 63 N 0.00 0.00 -6.89 0.00 2.10 -1.62 -3.47 116.57 106.69 1x66 h LYS 63 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1x66 h LYS 63 Cb 0.83 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.31 1x66 h LYS 63 CO 0.00 0.30 0.26 -1.33 -2.00 0.00 0.00 179.45 176.68 1x66 n MET 64 N -2.92 1.11 -4.62 0.07 2.81 -1.20 -5.02 117.12 107.35 1x66 n MET 64 Ca -0.07 0.42 -0.32 0.00 -1.81 0.00 0.00 57.70 55.92 1x66 n MET 64 Cb 0.81 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.98 1x66 n MET 64 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1x66 s ASN 65 N -1.15 4.23 0.33 7.83 0.01 -1.26 -4.95 114.94 119.97 1x66 s ASN 65 Ca 0.75 -1.60 0.08 0.00 -0.71 0.00 0.00 52.86 51.38 1x66 s ASN 65 Cb -0.43 0.56 0.80 0.00 0.41 0.00 0.00 41.25 42.60 1x66 s ASN 65 CO 0.47 -0.92 1.80 0.50 -1.51 0.00 0.00 177.10 177.45 1x66 h LYS 66 N 1.22 0.69 0.63 -0.60 1.63 -1.95 0.15 116.57 118.34 1x66 h LYS 66 Ca -0.43 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 1x66 h LYS 66 Cb 1.32 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1x66 h LYS 66 CO 0.71 0.46 -0.30 0.93 -3.45 0.00 0.00 179.45 177.79 1x66 h GLU 67 N 0.71 -0.82 -0.42 1.90 5.08 -1.97 0.24 114.58 119.30 1x66 h GLU 67 Ca 0.54 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 59.08 1x66 h GLU 67 Cb 0.91 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1x66 h GLU 67 CO -0.32 -0.54 0.37 -0.44 -1.00 0.00 0.00 179.01 177.08 1x66 h ASP 68 N -1.23 0.00 0.52 1.42 5.19 -1.84 0.58 116.42 121.06 1x66 h ASP 68 Ca -0.09 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.03 1x66 h ASP 68 Cb 0.65 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1x66 h ASP 68 CO 0.14 0.00 -1.47 -0.26 -3.12 0.00 0.00 179.24 174.53 1x66 h PHE 69 N 0.00 0.37 0.00 4.55 0.04 -0.62 -3.28 116.94 118.00 1x66 h PHE 69 Ca 0.20 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1x66 h PHE 69 Cb 0.94 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1x66 h PHE 69 CO 0.00 1.31 0.00 -0.07 -0.60 0.00 0.00 178.31 178.95 1x66 h LEU 70 N 0.06 0.00 -0.29 1.54 3.38 0.17 0.24 115.31 120.41 1x66 h LEU 70 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1x66 h LEU 70 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1x66 h LEU 70 CO 0.15 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.22 1x66 n ARG 71 N -2.78 1.20 0.00 1.13 1.74 -0.71 -4.06 116.66 113.17 1x66 n ARG 71 Ca 0.01 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1x66 n ARG 71 Cb 0.26 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.59 1.96 -2.44 7.54 0.00 -0.74 -5.03 120.51 121.21 1x66 n ALA 72 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.16 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.34 2.04 1.02 0.00 -1.32 0.77 -0.10 115.64 116.71 1x66 s THR 73 Ca 0.00 -2.05 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1x66 s THR 73 Cb 0.00 -2.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.19 1x66 s THR 73 CO 0.00 -0.30 1.08 0.28 -2.21 0.00 0.00 174.62 173.47 1x66 s THR 74 N -2.10 2.19 0.10 5.08 -1.32 -1.24 -4.02 115.64 114.31 1x66 s THR 74 Ca 0.20 0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.48 1x66 s THR 74 Cb -0.06 -2.21 -0.12 0.00 -1.51 0.00 0.00 72.50 68.60 1x66 s THR 74 CO 0.09 -0.08 1.68 0.25 -2.21 0.00 0.00 174.62 174.35 1x66 h LEU 75 N -2.14 -0.41 -0.52 9.08 5.85 -1.94 0.51 115.31 125.73 1x66 h LEU 75 Ca -0.53 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1x66 h LEU 75 Cb 1.30 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 1x66 h LEU 75 CO 0.49 -0.24 -0.15 0.22 -0.34 0.00 0.00 178.44 178.42 1x66 h TYR 76 N -0.34 -0.32 -0.50 1.25 5.03 -1.99 0.42 116.97 120.52 1x66 h TYR 76 Ca 0.00 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 1x66 h TYR 76 Cb 0.32 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 1x66 h TYR 76 CO -0.13 -0.24 0.06 -0.91 -1.32 0.00 0.00 178.16 175.62 1x66 h ASN 77 N -0.02 0.76 -0.65 -2.11 2.35 -1.86 -2.84 115.58 111.21 1x66 h ASN 77 Ca 0.25 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 1x66 h ASN 77 Cb 0.40 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1x66 h ASN 77 CO -0.54 0.79 0.35 0.74 -1.65 0.00 0.00 177.43 177.12 1x66 h THR 78 N 0.76 0.95 -0.70 2.81 2.02 0.13 -0.54 112.91 118.34 1x66 h THR 78 Ca 0.16 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1x66 h THR 78 Cb 0.37 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1x66 h THR 78 CO 0.01 0.12 0.31 -0.33 0.37 0.00 0.00 175.52 176.00 1x66 h GLU 79 N 0.65 1.01 0.26 6.66 5.08 -1.07 -0.19 114.58 126.97 1x66 h GLU 79 Ca 0.30 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1x66 h GLU 79 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x66 h GLU 79 CO -0.19 0.79 -0.13 0.28 -1.00 0.00 0.00 179.01 178.77 1x66 h VAL 80 N 0.99 0.78 0.44 3.13 2.07 -1.18 -0.54 116.25 121.96 1x66 h VAL 80 Ca 0.24 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1x66 h VAL 80 Cb 0.14 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1x66 h VAL 80 CO -0.03 0.12 -0.26 -0.07 0.02 0.00 0.00 177.57 177.35 1x66 h LEU 81 N -0.67 -0.64 -0.55 2.57 3.38 -1.04 0.24 115.31 118.60 1x66 h LEU 81 Ca -0.04 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1x66 h LEU 81 Cb 0.47 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1x66 h LEU 81 CO 0.06 -0.42 0.19 -0.07 0.09 0.00 0.00 178.44 178.29 1x66 h LEU 82 N -0.66 0.17 -0.27 1.67 -0.00 -1.10 0.17 115.31 115.28 1x66 h LEU 82 Ca -0.05 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1x66 h LEU 82 Cb 0.54 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1x66 h LEU 82 CO 0.06 0.11 0.11 -1.28 -0.00 0.00 0.00 178.44 177.44 1x66 h SER 83 N 0.36 0.38 0.55 -0.43 0.87 -0.87 -0.85 113.55 113.55 1x66 h SER 83 Ca 0.28 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1x66 h SER 83 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1x66 h SER 83 CO -0.29 0.44 -0.27 -0.74 -0.53 0.00 0.00 176.83 175.44 1x66 h HIS 84 N 0.29 -0.70 -0.28 2.24 -0.00 0.14 -2.43 115.15 114.40 1x66 h HIS 84 Ca 0.09 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 1x66 h HIS 84 Cb 0.18 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1x66 h HIS 84 CO -0.01 -0.43 0.20 1.25 -0.00 0.00 0.00 177.93 178.94 1x66 h LEU 85 N -0.74 0.04 -1.68 0.26 5.85 -0.67 -0.81 115.31 117.56 1x66 h LEU 85 Ca -0.07 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1x66 h LEU 85 Cb 0.57 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1x66 h LEU 85 CO 0.12 0.03 0.42 0.77 -0.34 0.00 0.00 178.44 179.44 1x66 h SER 86 N 0.05 0.31 0.07 1.25 4.64 -0.63 0.18 113.55 119.41 1x66 h SER 86 Ca 0.13 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.31 1x66 h SER 86 Cb 0.47 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1x66 h SER 86 CO -0.01 0.18 -0.78 0.22 -0.87 0.00 0.00 176.83 175.57 1x66 h TYR 87 N 0.34 0.25 -0.41 4.77 3.20 -1.13 -3.26 116.97 120.74 1x66 h TYR 87 Ca 0.30 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1x66 h TYR 87 Cb 0.70 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 1x66 h TYR 87 CO -0.00 1.30 0.18 -0.07 -1.64 0.00 0.00 178.16 177.94 1x66 h LEU 88 N -0.66 0.25 -2.00 2.82 3.38 -1.20 -1.11 115.31 116.79 1x66 h LEU 88 Ca -0.17 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1x66 h LEU 88 Cb 1.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1x66 h LEU 88 CO 0.02 0.18 0.13 0.03 0.09 0.00 0.00 178.44 178.89 1x66 h ARG 89 N 0.38 0.00 -1.17 1.13 3.08 -0.82 -1.65 114.38 115.33 1x66 h ARG 89 Ca 0.18 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.56 1x66 h ARG 89 Cb 0.11 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.84 1x66 h ARG 89 CO -0.14 0.00 0.47 0.39 -1.07 0.00 0.00 179.97 179.61 1x66 n GLU 90 N -4.48 2.94 -3.63 0.04 -0.58 -0.44 -4.86 120.64 109.63 1x66 n GLU 90 Ca 0.01 -3.59 -0.18 0.00 -0.42 0.00 0.00 57.16 52.99 1x66 n GLU 90 Cb 0.27 -2.28 -0.05 0.00 -0.57 0.00 0.00 31.44 28.81 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 n SER 91 N -0.78 1.36 -2.17 1.62 2.88 -0.62 -4.78 113.62 111.12 1x66 n SER 91 Ca 0.56 -2.46 -0.18 0.00 -1.33 0.00 0.00 58.87 55.47 1x66 n SER 91 Cb 0.64 0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 92 N -1.64 -5.01 -2.91 -3.46 2.88 -1.26 -3.16 113.62 99.05 1x66 n SER 92 Ca -0.05 0.16 -0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1x66 n SER 92 Cb 0.41 -4.27 0.01 0.00 -0.75 0.00 0.00 64.21 59.61 1x66 n SER 92 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 93 N -1.69 -7.92 -4.99 -3.46 2.88 -1.26 -5.04 113.62 92.15 1x66 n SER 93 Ca -0.20 0.35 -0.22 0.00 -1.33 0.00 0.00 58.87 57.48 1x66 n SER 93 Cb 0.64 -5.37 0.04 0.00 -0.75 0.00 0.00 64.21 58.76 1x66 n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x66 s GLY 94 N -2.73 1.94 1.02 0.46 0.00 -1.19 -5.13 107.32 101.70 1x66 s GLY 94 Ca 0.17 -1.86 -0.17 0.00 0.00 0.00 0.00 44.72 42.86 1x66 s GLY 94 CO 0.76 -1.77 0.91 -1.55 0.00 0.00 0.00 173.10 171.45 1x66 n PRO 95 N -2.09 -2.80 -3.42 2.90 -0.04 -1.26 -5.02 135.00 123.27 1x66 n PRO 95 Ca 0.10 -1.45 -0.26 0.00 -0.04 0.00 0.00 63.50 61.85 1x66 n PRO 95 Cb 0.62 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 1x66 n PRO 95 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x66 n SER 96 N -4.56 0.40 -3.64 3.54 3.41 -1.26 -5.06 113.62 106.46 1x66 n SER 96 Ca 0.13 -2.62 -0.06 0.00 -0.26 0.00 0.00 58.87 56.05 1x66 n SER 96 Cb 0.49 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 1x66 n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x66 s SER 97 N -0.57 -0.92 0.00 4.04 0.15 -1.26 -5.33 113.70 109.80 1x66 s SER 97 Ca 0.33 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1x66 s SER 97 Cb 0.06 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1x66 s SER 97 CO -0.17 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.66