#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 s SER 2 N 0.00 -0.85 -0.08 1.61 0.01 -1.26 -5.04 113.70 108.10 1x66 s SER 2 Ca 0.00 1.09 0.13 0.00 1.31 0.00 0.00 55.95 58.48 1x66 s SER 2 Cb 0.00 1.93 -0.24 0.00 0.21 0.00 0.00 66.02 67.93 1x66 s SER 2 CO 0.00 -0.16 0.52 -1.20 0.41 0.00 0.00 173.24 172.81 1x66 n SER 3 N 5.21 0.75 0.00 2.44 7.64 -1.26 -5.09 113.62 123.31 1x66 n SER 3 Ca -0.10 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1x66 n SER 3 Cb 0.51 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.62 -0.23 4.00 0.23 0.00 -1.26 -5.07 105.19 104.48 1x66 n GLY 4 Ca -0.21 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1x66 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x66 s SER 5 N -1.24 4.63 0.24 1.61 0.01 -1.26 -5.13 113.70 112.56 1x66 s SER 5 Ca 0.00 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 1x66 s SER 5 Cb 0.00 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1x66 s SER 5 CO 0.00 -1.66 0.35 -0.24 0.41 0.00 0.00 173.24 172.10 1x66 n SER 6 N -2.63 -0.97 0.00 2.44 2.88 -1.26 -5.13 113.62 108.94 1x66 n SER 6 Ca 0.14 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 1x66 n SER 6 Cb 0.61 1.80 0.00 0.00 -0.75 0.00 0.00 64.21 65.86 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 -0.39 -2.00 3.69 0.46 0.00 -1.26 -5.17 105.19 100.52 1x66 n GLY 7 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 0.73 -0.57 1.61 0.04 -1.26 -4.92 135.00 130.64 1x66 s PRO 8 Ca 0.00 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 1x66 s PRO 8 Cb 0.00 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1x66 s PRO 8 CO 0.00 -2.55 1.83 -1.25 0.04 0.00 0.00 177.00 175.07 1x66 s PRO 9 N -4.96 2.76 0.25 0.56 0.04 -1.26 -4.96 135.00 127.43 1x66 s PRO 9 Ca 0.65 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1x66 s PRO 9 Cb -0.18 -4.35 -0.10 0.00 0.04 0.00 0.00 34.50 29.91 1x66 s PRO 9 CO 0.57 -2.57 1.33 -0.80 0.04 0.00 0.00 177.00 175.58 1x66 s ASN 10 N 7.64 6.82 0.18 6.66 0.01 -1.26 -4.93 114.94 130.06 1x66 s ASN 10 Ca 0.68 2.54 -0.33 0.00 -0.71 0.00 0.00 52.86 55.04 1x66 s ASN 10 Cb -0.14 -2.62 -0.14 0.00 0.41 0.00 0.00 41.25 38.76 1x66 s ASN 10 CO 0.23 -0.56 1.51 1.15 -1.51 0.00 0.00 177.10 177.92 1x66 n MET 11 N 2.05 2.06 -4.03 -0.60 0.00 -1.26 -4.97 117.12 110.36 1x66 n MET 11 Ca 0.04 0.74 -0.33 0.00 0.00 0.00 0.00 57.70 58.15 1x66 n MET 11 Cb 0.42 -2.47 -0.15 0.00 0.00 0.00 0.00 33.22 31.02 1x66 n MET 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1x66 s THR 12 N 0.59 2.42 -0.29 3.17 -4.23 -1.26 -4.97 115.64 111.07 1x66 s THR 12 Ca 0.76 -1.41 0.20 0.00 -1.18 0.00 0.00 61.69 60.06 1x66 s THR 12 Cb -0.69 -2.34 0.49 0.00 1.34 0.00 0.00 72.50 71.30 1x66 s THR 12 CO 0.42 0.06 1.05 1.07 -0.54 0.00 0.00 174.62 176.68 1x66 n THR 13 N 4.53 1.22 -2.10 3.99 5.66 -1.26 -4.95 114.28 121.37 1x66 n THR 13 Ca -0.15 -3.05 -0.18 0.00 -3.05 0.00 0.00 64.05 57.61 1x66 n THR 13 Cb 0.44 0.93 -0.03 0.00 -1.55 0.00 0.00 70.33 70.12 1x66 n THR 13 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1x66 n ASN 14 N -0.38 -5.14 -3.59 1.09 5.15 -1.26 -4.91 115.26 106.21 1x66 n ASN 14 Ca 0.10 0.19 -0.10 0.00 -0.60 0.00 0.00 54.58 54.17 1x66 n ASN 14 Cb 0.81 -4.41 -0.05 0.00 -0.53 0.00 0.00 39.78 35.60 1x66 n ASN 14 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1x66 s GLU 15 N -4.51 0.55 0.48 1.20 2.56 -1.26 -5.02 118.70 112.70 1x66 s GLU 15 Ca 0.00 0.18 0.23 0.00 0.00 0.00 0.00 54.97 55.38 1x66 s GLU 15 Cb 0.00 0.26 1.21 0.00 2.00 0.00 0.00 34.13 37.60 1x66 s GLU 15 CO 0.00 -0.16 1.99 -0.09 -0.56 0.00 0.00 175.26 176.44 1x66 h ARG 16 N 2.70 0.00 -6.25 4.30 9.65 -1.93 -3.43 114.38 119.42 1x66 h ARG 16 Ca -0.19 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.12 1x66 h ARG 16 Cb 1.17 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.66 1x66 h ARG 16 CO 0.29 0.18 -0.60 -0.98 2.80 0.00 0.00 179.97 181.66 1x66 s ARG 17 N -4.19 2.66 0.53 0.20 1.70 -1.26 -5.05 118.95 113.53 1x66 s ARG 17 Ca -0.03 -1.04 -0.20 0.00 -0.47 0.00 0.00 55.73 53.99 1x66 s ARG 17 Cb 0.13 -2.48 -0.06 0.00 -0.57 0.00 0.00 34.95 31.97 1x66 s ARG 17 CO 0.63 0.45 1.11 0.54 -1.08 0.00 0.00 175.30 176.95 1x66 s VAL 18 N -1.87 3.29 -0.92 4.99 0.11 -1.26 -4.86 120.40 119.87 1x66 s VAL 18 Ca 0.30 0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1x66 s VAL 18 Cb -0.09 -3.33 0.31 0.00 -1.53 0.00 0.00 36.38 31.74 1x66 s VAL 18 CO 0.22 -0.16 1.47 -0.38 -3.33 0.00 0.00 175.10 172.92 1x66 n ILE 19 N -1.17 5.00 -4.17 7.04 5.41 -1.26 -5.02 119.36 125.19 1x66 n ILE 19 Ca 0.11 -5.83 -0.26 0.00 1.00 0.00 0.00 62.75 57.77 1x66 n ILE 19 Cb 0.51 -1.72 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 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 3.95 0.76 1.39 -7.23 -1.26 -5.12 120.40 109.13 1x66 s VAL 20 Ca 0.39 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1x66 s VAL 20 Cb 0.16 -3.00 0.19 0.00 0.56 0.00 0.00 36.38 34.29 1x66 s VAL 20 CO -0.05 -0.12 0.67 -0.81 -0.31 0.00 0.00 175.10 174.48 1x66 n PRO 21 N -0.22 -2.33 0.00 4.82 -0.04 -1.26 -5.03 135.00 130.94 1x66 n PRO 21 Ca -0.09 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1x66 n PRO 21 Cb 0.55 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1x66 n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x66 n ALA 22 N -4.15 -0.08 -1.77 0.55 0.00 -1.26 -4.81 120.51 108.99 1x66 n ALA 22 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 1x66 n ALA 22 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1x66 n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x66 s ASP 23 N -1.83 6.42 0.42 0.00 2.15 -1.25 -4.79 116.67 117.79 1x66 s ASP 23 Ca 0.00 2.70 0.21 0.00 0.43 0.00 0.00 52.55 55.88 1x66 s ASP 23 Cb 0.00 -2.64 0.90 0.00 -0.30 0.00 0.00 42.92 40.87 1x66 s ASP 23 CO 0.00 -0.78 1.84 1.55 -0.17 0.00 0.00 175.17 177.61 1x66 h PRO 24 N 2.86 0.00 0.00 4.34 0.13 -1.88 -2.84 132.00 134.62 1x66 h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x66 h PRO 24 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x66 h PRO 24 CO 0.63 0.29 0.00 1.79 -0.23 0.00 0.00 178.00 180.49 1x66 h THR 25 N 0.00 0.00 -0.46 1.56 1.35 -1.92 0.31 112.91 113.75 1x66 h THR 25 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1x66 h THR 25 Cb 0.71 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1x66 h THR 25 CO 0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1x66 n LEU 26 N -2.85 4.11 -4.64 3.87 4.32 -1.07 -4.26 117.00 116.48 1x66 n LEU 26 Ca -0.02 -2.08 -0.39 0.00 -0.02 0.00 0.00 56.01 53.50 1x66 n LEU 26 Cb 0.09 -0.57 -0.08 0.00 -1.62 0.00 0.00 43.42 41.25 1x66 n LEU 26 CO 0.18 0.59 0.18 0.26 -1.22 0.00 0.00 177.39 177.38 1x66 s TRP 27 N -2.02 3.31 1.07 -1.77 0.51 0.10 -4.79 118.94 115.34 1x66 s TRP 27 Ca 0.40 0.62 -0.18 0.00 -2.12 0.00 0.00 56.10 54.82 1x66 s TRP 27 Cb 0.28 -2.64 0.26 0.00 -0.81 0.00 0.00 33.47 30.56 1x66 s TRP 27 CO 0.16 -0.17 1.04 0.25 -0.51 0.00 0.00 176.95 177.71 1x66 n THR 28 N 4.83 0.00 0.27 2.01 -2.24 -1.26 -0.02 114.28 117.87 1x66 n THR 28 Ca -0.06 -0.53 0.17 0.00 -2.27 0.00 0.00 64.05 61.37 1x66 n THR 28 Cb 0.50 -1.28 0.89 0.00 -2.10 0.00 0.00 70.33 68.34 1x66 n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x66 h GLN 29 N 0.00 0.00 0.04 -0.78 4.15 -1.95 -2.55 115.11 114.02 1x66 h GLN 29 Ca -0.38 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.67 1x66 h GLN 29 Cb 1.13 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 1x66 h GLN 29 CO 0.25 0.00 -2.18 -1.91 -1.93 0.00 0.00 178.83 173.06 1x66 n GLU 30 N -2.71 0.66 -0.05 1.69 2.13 -1.26 -4.29 120.64 116.81 1x66 n GLU 30 Ca -0.02 0.27 -0.08 0.00 0.66 0.00 0.00 57.16 57.99 1x66 n GLU 30 Cb 0.09 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 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 -0.34 -0.65 -0.98 4.31 3.86 -1.79 0.14 115.15 119.70 1x66 h HIS 31 Ca -0.53 0.04 0.28 0.00 -1.16 0.00 0.00 60.37 59.00 1x66 h HIS 31 Cb 1.79 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 30.54 1x66 h HIS 31 CO 0.03 -0.32 0.70 0.28 0.86 0.00 0.00 177.93 179.48 1x66 h VAL 32 N -0.25 0.52 0.11 2.45 2.07 -1.70 0.19 116.25 119.64 1x66 h VAL 32 Ca 0.14 -0.02 -0.15 0.00 0.82 0.00 0.00 66.70 67.49 1x66 h VAL 32 Cb 0.46 0.47 0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1x66 h VAL 32 CO -0.39 0.01 -0.65 0.03 0.02 0.00 0.00 177.57 176.59 1x66 h ARG 33 N 0.04 0.24 -0.01 1.57 3.08 -1.01 -3.12 114.38 115.18 1x66 h ARG 33 Ca 0.47 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1x66 h ARG 33 Cb 1.82 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 32.02 1x66 h ARG 33 CO -0.03 1.20 0.00 1.96 -1.07 0.00 0.00 179.97 182.03 1x66 h GLN 34 N -0.50 0.01 -0.81 0.04 4.20 0.84 -2.47 115.11 116.41 1x66 h GLN 34 Ca -0.11 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.70 1x66 h GLN 34 Cb 1.51 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.23 1x66 h GLN 34 CO 0.12 0.09 0.53 2.35 -0.67 0.00 0.00 178.83 181.26 1x66 h TRP 35 N -0.07 0.77 0.68 2.96 7.01 -0.85 -0.95 115.95 125.49 1x66 h TRP 35 Ca 0.00 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 1x66 h TRP 35 Cb 0.09 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1x66 h TRP 35 CO -0.05 0.34 -0.33 1.25 -2.79 0.00 0.00 178.44 176.87 1x66 h LEU 36 N 0.71 -0.77 -2.09 0.65 5.85 -1.40 -1.26 115.31 117.00 1x66 h LEU 36 Ca 0.38 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.23 1x66 h LEU 36 Cb 0.53 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1x66 h LEU 36 CO -0.15 -0.51 0.32 -0.33 -0.34 0.00 0.00 178.44 177.43 1x66 h GLU 37 N -0.99 0.00 0.44 1.25 5.08 -1.21 -2.04 114.58 117.10 1x66 h GLU 37 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1x66 h GLU 37 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1x66 h GLU 37 CO 0.15 0.00 -0.21 2.35 -1.00 0.00 0.00 179.01 180.30 1x66 h TRP 38 N 0.00 -0.55 -0.56 4.33 7.01 -0.89 -2.29 115.95 123.00 1x66 h TRP 38 Ca 0.15 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.31 1x66 h TRP 38 Cb 0.80 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 1x66 h TRP 38 CO 0.00 -0.34 0.47 0.00 -2.79 0.00 0.00 178.44 175.78 1x66 h ALA 39 N -1.32 2.41 -0.07 2.65 0.00 -0.81 0.31 119.26 122.43 1x66 h ALA 39 Ca -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1x66 h ALA 39 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x66 h ALA 39 CO 0.10 -0.76 -0.15 0.82 0.00 0.00 0.00 179.25 179.26 1x66 h ILE 40 N 0.00 1.41 0.00 0.00 2.04 -1.36 0.25 117.51 119.85 1x66 h ILE 40 Ca 0.27 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1x66 h ILE 40 Cb 1.20 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1x66 h ILE 40 CO -0.00 0.41 0.00 0.07 0.00 0.00 0.00 178.15 178.63 1x66 h LYS 41 N -0.26 0.00 0.00 2.37 2.10 -0.54 0.32 116.57 120.56 1x66 h LYS 41 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1x66 h LYS 41 Cb 0.74 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1x66 h LYS 41 CO 0.03 0.00 -0.72 1.49 -2.00 0.00 0.00 179.45 178.26 1x66 h GLU 42 N 0.00 0.00 -0.26 0.07 4.57 -0.43 -3.37 114.58 115.17 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 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1x66 h GLU 42 CO 0.00 0.43 0.00 0.66 -1.18 0.00 0.00 179.01 178.92 1x66 n TYR 43 N -4.56 0.34 -3.48 0.92 4.01 0.86 -4.94 117.16 110.30 1x66 n TYR 43 Ca -0.16 -0.17 -0.19 0.00 -0.16 0.00 0.00 57.90 57.22 1x66 n TYR 43 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.35 -6.10 -4.91 7.72 7.64 0.31 -4.98 113.62 113.65 1x66 n SER 44 Ca 0.12 -0.69 -0.30 0.00 1.01 0.00 0.00 58.87 59.01 1x66 n SER 44 Cb 0.28 -3.74 -0.04 0.00 -1.01 0.00 0.00 64.21 59.70 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 -5.28 4.24 0.16 -3.43 1.43 0.85 -5.01 118.68 111.63 1x66 s LEU 45 Ca 0.22 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.83 1x66 s LEU 45 Cb -0.07 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1x66 s LEU 45 CO 0.83 0.01 0.17 -0.04 0.23 0.00 0.00 176.35 177.55 1x66 s MET 46 N -2.90 1.08 -1.44 1.70 -1.94 -1.26 -4.83 119.30 109.71 1x66 s MET 46 Ca 0.41 -1.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.03 1x66 s MET 46 Cb -0.12 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1x66 s MET 46 CO 0.26 -0.36 0.15 0.39 -0.01 0.00 0.00 175.02 175.46 1x66 n GLU 47 N -0.17 -2.20 -4.29 2.03 1.02 -1.26 -4.64 120.64 111.13 1x66 n GLU 47 Ca -0.05 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.57 1x66 n GLU 47 Cb 0.64 -5.32 -0.10 0.00 -0.02 0.00 0.00 31.44 26.64 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 -2.93 4.37 -0.91 -3.67 2.07 -1.26 -3.52 121.20 115.36 1x66 s ILE 48 Ca 0.07 -0.21 -0.15 0.00 -1.41 0.00 0.00 60.65 58.95 1x66 s ILE 48 Cb -0.03 -2.88 0.19 0.00 0.13 0.00 0.00 42.46 39.86 1x66 s ILE 48 CO 0.09 0.56 0.96 -0.62 -1.91 0.00 0.00 174.94 174.02 1x66 s ASP 49 N -0.40 6.77 0.51 4.50 2.15 0.84 -4.86 116.67 126.18 1x66 s ASP 49 Ca 0.08 -2.53 0.22 0.00 0.43 0.00 0.00 52.55 50.75 1x66 s ASP 49 Cb -0.12 -2.29 1.33 0.00 -0.30 0.00 0.00 42.92 41.54 1x66 s ASP 49 CO 0.02 -0.74 2.08 0.71 -0.17 0.00 0.00 175.17 177.07 1x66 h THR 50 N 5.09 0.81 -0.68 1.71 1.35 -1.97 -2.30 112.91 116.91 1x66 h THR 50 Ca 0.14 -0.43 0.06 0.00 -0.55 0.00 0.00 66.41 65.63 1x66 h THR 50 Cb 1.01 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 1x66 h THR 50 CO 0.93 0.11 0.45 -1.28 -0.25 0.00 0.00 175.52 175.48 1x66 h SER 51 N 0.00 0.63 -0.38 5.36 0.87 -1.97 -0.49 113.55 117.57 1x66 h SER 51 Ca -0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1x66 h SER 51 Cb 0.24 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1x66 h SER 51 CO 0.01 0.41 0.36 0.15 -0.53 0.00 0.00 176.83 177.23 1x66 h PHE 52 N 0.72 0.00 -0.34 2.24 3.04 -1.81 0.24 116.94 121.03 1x66 h PHE 52 Ca 0.29 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 1x66 h PHE 52 Cb 0.23 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.66 1x66 h PHE 52 CO -0.00 0.00 -0.01 1.19 -2.02 0.00 0.00 178.31 177.47 1x66 n PHE 53 N -3.94 1.12 0.29 0.41 3.01 -0.21 -4.61 117.46 113.53 1x66 n PHE 53 Ca 0.06 -1.31 0.17 0.00 1.01 0.00 0.00 57.45 57.38 1x66 n PHE 53 Cb 0.53 -0.44 0.86 0.00 -0.01 0.00 0.00 39.48 40.43 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 1.31 0.00 0.00 -1.08 3.07 -0.36 -3.19 115.11 114.85 1x66 h GLN 54 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.74 1x66 h GLN 54 Cb 1.63 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 28.91 1x66 h GLN 54 CO 0.35 0.05 -0.77 -1.71 0.09 0.00 0.00 178.83 176.85 1x66 n ASN 55 N -3.31 0.34 -4.38 0.06 2.85 -1.26 -4.96 115.26 104.60 1x66 n ASN 55 Ca -0.01 -1.97 -0.45 0.00 -0.11 0.00 0.00 54.58 52.04 1x66 n ASN 55 Cb 0.21 -0.12 -0.04 0.00 1.24 0.00 0.00 39.78 41.07 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1x66 s MET 56 N 0.00 3.16 0.67 1.20 1.75 -1.21 -5.01 119.30 119.87 1x66 s MET 56 Ca 0.21 -1.45 -0.17 0.00 -1.25 0.00 0.00 55.69 53.03 1x66 s MET 56 Cb 0.24 -4.35 0.00 0.00 2.84 0.00 0.00 34.83 33.56 1x66 s MET 56 CO -0.11 -1.57 1.25 -0.40 -0.65 0.00 0.00 175.02 173.55 1x66 n ASP 57 N 6.23 1.78 -0.41 1.11 5.68 -1.26 -4.58 116.55 125.11 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 0.44 -1.53 0.61 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.30 1.24 0.95 6.12 0.00 -0.59 0.42 103.07 111.49 1x66 h GLY 58 Ca -0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1x66 h GLY 58 CO 0.52 -0.31 0.14 0.50 0.00 0.00 0.00 176.54 177.38 1x66 h LYS 59 N 0.17 0.37 0.00 4.80 1.79 -1.78 0.21 116.57 122.14 1x66 h LYS 59 Ca 0.75 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 1x66 h LYS 59 Cb 2.28 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.86 1x66 h LYS 59 CO -0.37 0.34 0.00 0.39 -1.08 0.00 0.00 179.45 178.73 1x66 n GLU 60 N -4.83 0.12 0.01 3.15 -0.58 0.12 -2.86 120.64 115.77 1x66 n GLU 60 Ca -0.02 0.15 -0.16 0.00 -0.42 0.00 0.00 57.16 56.70 1x66 n GLU 60 Cb 0.08 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.28 -0.23 -4.62 5.85 -0.21 -3.21 115.31 113.16 1x66 h LEU 61 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1x66 h LEU 61 Cb 0.55 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1x66 h LEU 61 CO 0.00 1.50 0.00 0.00 -0.34 0.00 0.00 178.44 179.60 1x66 h LYS 63 N 0.00 0.00 -6.71 0.00 2.10 -1.65 -3.48 116.57 106.84 1x66 h LYS 63 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 1x66 h LYS 63 Cb 0.74 0.00 0.19 0.00 -0.90 0.00 0.00 32.23 32.27 1x66 h LYS 63 CO 0.00 0.16 -0.38 -1.33 -2.00 0.00 0.00 179.45 175.90 1x66 n MET 64 N -2.82 0.21 -4.68 0.07 2.81 -1.17 -5.02 117.12 106.51 1x66 n MET 64 Ca -0.04 0.12 -0.31 0.00 -1.81 0.00 0.00 57.70 55.65 1x66 n MET 64 Cb 0.70 -1.87 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.59 3.72 0.24 7.83 0.01 -1.26 -4.96 114.94 118.92 1x66 s ASN 65 Ca 0.65 -1.67 -0.05 0.00 -0.71 0.00 0.00 52.86 51.08 1x66 s ASN 65 Cb -0.32 0.53 0.44 0.00 0.41 0.00 0.00 41.25 42.30 1x66 s ASN 65 CO 0.59 -0.88 1.73 0.50 -1.51 0.00 0.00 177.10 177.53 1x66 h LYS 66 N 1.48 0.42 0.55 -0.60 1.63 -1.95 0.24 116.57 118.33 1x66 h LYS 66 Ca -0.41 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.34 1x66 h LYS 66 Cb 1.30 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.84 1x66 h LYS 66 CO 0.68 0.28 -0.26 0.93 -3.45 0.00 0.00 179.45 177.63 1x66 h GLU 67 N 0.43 -0.71 -0.69 1.90 5.08 -1.97 0.24 114.58 118.86 1x66 h GLU 67 Ca 0.40 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.96 1x66 h GLU 67 Cb 0.61 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1x66 h GLU 67 CO -0.40 -0.41 0.47 -0.44 -1.00 0.00 0.00 179.01 177.23 1x66 h ASP 68 N -0.94 0.29 0.43 1.42 3.32 -1.84 -0.15 116.42 118.95 1x66 h ASP 68 Ca -0.08 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.73 1x66 h ASP 68 Cb 0.63 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1x66 h ASP 68 CO 0.12 0.15 -1.14 -0.26 -1.72 0.00 0.00 179.24 176.40 1x66 h PHE 69 N 0.31 0.64 0.00 4.55 0.04 -0.35 -3.18 116.94 118.95 1x66 h PHE 69 Ca 0.33 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1x66 h PHE 69 Cb 0.87 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1x66 h PHE 69 CO -0.00 1.27 0.00 -0.07 -0.60 0.00 0.00 178.31 178.91 1x66 h LEU 70 N 0.17 0.00 -0.23 1.54 3.38 0.12 0.24 115.31 120.53 1x66 h LEU 70 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x66 h LEU 70 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1x66 h LEU 70 CO 0.20 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.27 1x66 n ARG 71 N -2.83 1.16 0.00 1.13 1.74 -0.53 -4.04 116.66 113.28 1x66 n ARG 71 Ca 0.01 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1x66 n ARG 71 Cb 0.26 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.67 1.95 -2.44 7.54 0.00 -0.76 -5.03 120.51 121.11 1x66 n ALA 72 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.16 0.18 -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 -1.37 2.18 1.06 0.00 -1.32 0.78 -0.11 115.64 116.87 1x66 s THR 73 Ca 0.00 -2.09 -0.12 0.00 -1.21 0.00 0.00 61.69 58.27 1x66 s THR 73 Cb 0.00 -2.07 0.23 0.00 -1.51 0.00 0.00 72.50 69.14 1x66 s THR 73 CO 0.00 -0.27 1.07 0.28 -2.21 0.00 0.00 174.62 173.49 1x66 s THR 74 N -2.06 2.13 0.10 5.08 -1.32 -1.23 -4.05 115.64 114.29 1x66 s THR 74 Ca 0.21 0.04 -0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 74 Cb -0.06 -2.19 -0.12 0.00 -1.51 0.00 0.00 72.50 68.62 1x66 s THR 74 CO 0.10 -0.05 1.70 0.25 -2.21 0.00 0.00 174.62 174.41 1x66 h LEU 75 N -2.26 -0.25 -0.49 9.08 5.85 -1.95 0.14 115.31 125.43 1x66 h LEU 75 Ca -0.55 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1x66 h LEU 75 Cb 1.31 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 1x66 h LEU 75 CO 0.50 -0.14 -0.17 0.22 -0.34 0.00 0.00 178.44 178.51 1x66 h TYR 76 N -0.19 -0.40 -0.34 1.25 5.03 -1.99 0.16 116.97 120.49 1x66 h TYR 76 Ca 0.01 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.28 1x66 h TYR 76 Cb 0.20 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 1x66 h TYR 76 CO -0.12 -0.26 -0.17 -0.91 -1.32 0.00 0.00 178.16 175.38 1x66 h ASN 77 N -0.06 0.62 -0.36 -2.11 2.35 -1.86 -2.66 115.58 111.51 1x66 h ASN 77 Ca 0.24 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1x66 h ASN 77 Cb 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1x66 h ASN 77 CO -0.54 0.80 0.25 0.74 -1.65 0.00 0.00 177.43 177.03 1x66 h THR 78 N 0.56 0.92 -0.03 2.81 2.02 0.13 -0.71 112.91 118.61 1x66 h THR 78 Ca 0.09 -0.06 -0.25 0.00 0.77 0.00 0.00 66.41 66.96 1x66 h THR 78 Cb 0.61 0.71 0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1x66 h THR 78 CO 0.04 0.03 -0.98 -0.33 0.37 0.00 0.00 175.52 174.66 1x66 h GLU 79 N 0.19 0.66 0.54 6.66 5.08 -0.96 -2.79 114.58 123.95 1x66 h GLU 79 Ca 0.16 -0.68 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1x66 h GLU 79 Cb 0.40 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1x66 h GLU 79 CO -0.03 1.27 -0.26 0.28 -1.00 0.00 0.00 179.01 179.27 1x66 h VAL 80 N 0.39 0.28 -0.17 3.13 2.07 -1.18 -1.05 116.25 119.72 1x66 h VAL 80 Ca -0.11 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1x66 h VAL 80 Cb 1.62 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1x66 h VAL 80 CO 0.19 0.04 -0.29 -0.07 0.02 0.00 0.00 177.57 177.47 1x66 h LEU 81 N -1.04 -0.89 -0.61 2.57 3.38 -1.30 0.27 115.31 117.68 1x66 h LEU 81 Ca -0.07 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.63 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1x66 h LEU 81 CO 0.12 -0.33 0.29 -0.07 0.09 0.00 0.00 178.44 178.54 1x66 h LEU 82 N -0.34 0.37 -0.55 1.67 -0.00 -1.56 0.11 115.31 115.02 1x66 h LEU 82 Ca 0.11 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1x66 h LEU 82 Cb 0.51 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 1x66 h LEU 82 CO -0.36 0.24 0.28 0.28 -0.00 0.00 0.00 178.44 178.88 1x66 h SER 83 N 0.52 0.72 0.79 -0.43 0.02 -0.27 0.12 113.55 115.03 1x66 h SER 83 Ca 0.29 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1x66 h SER 83 Cb 0.27 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1x66 h SER 83 CO -0.23 0.63 -0.38 -0.74 -1.14 0.00 0.00 176.83 174.97 1x66 h HIS 84 N 0.75 -0.98 -0.52 3.45 -0.00 0.23 -3.02 115.15 115.05 1x66 h HIS 84 Ca 0.19 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.64 1x66 h HIS 84 Cb 0.10 0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 1x66 h HIS 84 CO -0.01 -0.61 0.36 1.25 -0.00 0.00 0.00 177.93 178.92 1x66 h LEU 85 N -1.28 0.23 -0.78 0.26 5.85 -0.81 -1.49 115.31 117.30 1x66 h LEU 85 Ca -0.11 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1x66 h LEU 85 Cb 0.82 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1x66 h LEU 85 CO 0.18 0.14 0.38 -1.28 -0.34 0.00 0.00 178.44 177.51 1x66 h SER 86 N 0.26 0.44 0.16 1.25 0.87 -0.62 0.26 113.55 116.17 1x66 h SER 86 Ca 0.24 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1x66 h SER 86 Cb 0.62 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1x66 h SER 86 CO -0.05 0.21 -0.08 0.22 -0.53 0.00 0.00 176.83 176.60 1x66 h TYR 87 N 0.57 -0.20 -0.65 2.24 3.20 -1.24 -2.61 116.97 118.29 1x66 h TYR 87 Ca 0.41 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.47 1x66 h TYR 87 Cb 0.55 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1x66 h TYR 87 CO -0.12 0.23 0.51 -0.07 -1.64 0.00 0.00 178.16 177.07 1x66 h LEU 88 N -0.90 0.00 -0.06 2.82 4.07 -1.22 0.25 115.31 120.27 1x66 h LEU 88 Ca -0.02 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.70 1x66 h LEU 88 Cb 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1x66 h LEU 88 CO 0.04 0.00 -1.05 0.03 -1.08 0.00 0.00 178.44 176.37 1x66 h ARG 89 N 0.00 0.25 -1.05 1.13 3.08 -0.50 -3.24 114.38 114.06 1x66 h ARG 89 Ca 0.31 -0.34 -0.45 0.00 0.07 0.00 0.00 59.98 59.57 1x66 h ARG 89 Cb 1.33 0.11 -0.24 0.00 0.08 0.00 0.00 29.97 31.25 1x66 h ARG 89 CO -0.00 1.10 0.57 0.39 -1.07 0.00 0.00 179.97 180.95 1x66 n GLU 90 N -3.59 2.08 -3.72 0.04 -0.58 0.82 -4.92 120.64 110.78 1x66 n GLU 90 Ca -0.06 -2.46 -0.19 0.00 -0.42 0.00 0.00 57.16 54.04 1x66 n GLU 90 Cb 0.92 -1.96 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 1x66 n GLU 90 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x66 n SER 91 N -0.73 1.44 -3.47 1.62 7.64 -0.92 -4.87 113.62 114.33 1x66 n SER 91 Ca 0.49 -2.53 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 1x66 n SER 91 Cb 1.26 0.65 0.08 0.00 -1.01 0.00 0.00 64.21 65.19 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x66 n SER 92 N -1.61 -4.01 0.10 6.43 2.88 -1.26 -4.82 113.62 111.33 1x66 n SER 92 Ca -0.06 -0.57 0.05 0.00 -1.33 0.00 0.00 58.87 56.96 1x66 n SER 92 Cb 0.43 -5.02 0.50 0.00 -0.75 0.00 0.00 64.21 59.37 1x66 n SER 92 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x66 h SER 93 N -2.24 0.28 -3.62 -3.46 0.87 -1.97 -3.43 113.55 99.97 1x66 h SER 93 Ca -0.57 -0.01 -0.46 0.00 -1.23 0.00 0.00 61.79 59.52 1x66 h SER 93 Cb 1.35 -0.07 0.09 0.00 -0.44 0.00 0.00 62.40 63.33 1x66 h SER 93 CO 0.52 0.22 0.24 -0.83 -0.53 0.00 0.00 176.83 176.45 1x66 s GLY 94 N -3.85 1.71 0.16 5.77 0.00 -1.26 -5.01 107.32 104.84 1x66 s GLY 94 Ca -0.07 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 1x66 s GLY 94 CO 0.71 -0.58 1.50 -0.56 0.00 0.00 0.00 173.10 174.18 1x66 h PRO 95 N -0.70 0.85 -5.76 2.90 0.13 -2.03 -3.48 132.00 123.91 1x66 h PRO 95 Ca -0.44 -0.45 -0.33 0.00 -0.87 0.00 0.00 66.00 63.91 1x66 h PRO 95 Cb 1.30 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.59 1x66 h PRO 95 CO 0.56 1.09 -0.85 0.43 -0.23 0.00 0.00 178.00 179.00 1x66 n SER 96 N -4.05 -4.17 -4.53 1.44 7.64 -1.26 -5.01 113.62 103.68 1x66 n SER 96 Ca -0.02 -0.76 -0.24 0.00 1.01 0.00 0.00 58.87 58.86 1x66 n SER 96 Cb 0.54 -4.64 -0.09 0.00 -1.01 0.00 0.00 64.21 59.01 1x66 n SER 96 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 97 N -3.84 3.94 0.00 6.43 0.01 -1.26 -5.23 113.70 113.75 1x66 s SER 97 Ca 0.26 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1x66 s SER 97 Cb -0.05 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1x66 s SER 97 CO 0.77 0.03 0.00 0.61 0.41 0.00 0.00 173.24 175.07