#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 6.13 0.17 1.61 0.15 -1.26 -4.64 113.70 115.87 1x66 s SER 2 Ca 0.00 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1x66 s SER 2 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1x66 s SER 2 CO 0.00 -0.57 0.00 -0.24 1.20 0.00 0.00 173.24 173.63 1x66 n SER 3 N 5.20 -1.55 0.00 5.45 2.88 -1.26 -5.17 113.62 119.17 1x66 n SER 3 Ca -0.12 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x66 n SER 3 Cb 0.45 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 65.60 1x66 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 4 N -1.24 -1.66 0.15 0.46 0.00 -1.26 -4.64 105.19 97.00 1x66 n GLY 4 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 0.05 1.89 -0.02 1.61 7.64 -1.26 -4.91 113.62 118.62 1x66 n SER 5 Ca 0.00 0.32 -0.02 0.00 1.01 0.00 0.00 58.87 60.17 1x66 n SER 5 Cb 0.00 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 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 -4.39 3.73 -1.43 6.43 7.64 -1.26 -5.14 113.62 119.19 1x66 n SER 6 Ca -0.16 -0.02 0.18 0.00 1.01 0.00 0.00 58.87 59.88 1x66 n SER 6 Cb 0.51 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 7 N 3.33 -2.88 3.69 0.23 0.00 -1.26 -4.89 105.19 103.40 1x66 n GLY 7 Ca -0.06 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.58 0.74 0.25 1.61 0.04 -1.26 -4.99 135.00 127.81 1x66 s PRO 8 Ca 0.00 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1x66 s PRO 8 Cb 0.00 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1x66 s PRO 8 CO 0.00 -2.55 1.26 -1.25 0.04 0.00 0.00 177.00 174.50 1x66 s PRO 9 N -4.95 4.43 0.72 0.56 0.04 -1.26 -5.04 135.00 129.50 1x66 s PRO 9 Ca 0.65 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.70 1x66 s PRO 9 Cb -0.18 -3.16 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1x66 s PRO 9 CO 0.57 -0.14 1.00 -0.80 0.04 0.00 0.00 177.00 177.68 1x66 s ASN 10 N -0.15 4.47 -0.04 6.66 0.01 -1.26 -5.04 114.94 119.59 1x66 s ASN 10 Ca 0.52 0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 52.38 1x66 s ASN 10 Cb -0.36 -0.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.76 1x66 s ASN 10 CO 0.43 -1.78 1.05 -0.32 -1.51 0.00 0.00 177.10 174.97 1x66 s MET 11 N -5.20 4.46 -0.45 -0.60 0.00 -1.26 -5.00 119.30 111.25 1x66 s MET 11 Ca 0.64 1.49 -0.24 0.00 0.00 0.00 0.00 55.69 57.58 1x66 s MET 11 Cb -0.07 -3.49 0.03 0.00 0.00 0.00 0.00 34.83 31.29 1x66 s MET 11 CO 0.45 -0.24 0.86 0.99 0.00 0.00 0.00 175.02 177.08 1x66 s THR 12 N 1.58 4.57 -0.02 10.11 2.01 -1.26 -4.82 115.64 127.80 1x66 s THR 12 Ca 0.52 0.63 0.03 0.00 0.31 0.00 0.00 61.69 63.18 1x66 s THR 12 Cb -0.22 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 1x66 s THR 12 CO 0.23 -0.75 0.04 1.07 -0.69 0.00 0.00 174.62 174.52 1x66 n THR 13 N 6.25 0.11 -2.02 -0.82 5.66 -1.26 -5.01 114.28 117.19 1x66 n THR 13 Ca 0.04 -0.11 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 1x66 n THR 13 Cb 0.48 -0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 1x66 n THR 13 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1x66 n ASN 14 N -1.87 -5.15 0.00 1.09 3.02 -1.26 -4.62 115.26 106.47 1x66 n ASN 14 Ca -0.03 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1x66 n ASN 14 Cb 0.35 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 1x66 n ASN 14 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x66 n GLU 15 N -2.62 0.00 0.00 3.52 1.02 -1.26 -5.07 120.64 116.23 1x66 n GLU 15 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1x66 n GLU 15 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 1x66 n GLU 15 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1x66 n ARG 16 N -1.75 0.00 -4.29 3.49 0.00 -1.26 -5.15 116.66 107.70 1x66 n ARG 16 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1x66 n ARG 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1x66 s ARG 17 N -1.22 1.14 0.62 -0.14 3.03 -1.26 -4.99 118.95 116.12 1x66 s ARG 17 Ca 0.00 -1.22 -0.18 0.00 2.03 0.00 0.00 55.73 56.36 1x66 s ARG 17 Cb 0.00 -1.31 -0.03 0.00 -1.03 0.00 0.00 34.95 32.58 1x66 s ARG 17 CO 0.00 0.29 1.12 1.55 -1.13 0.00 0.00 175.30 177.13 1x66 n VAL 18 N 0.85 4.20 -2.92 4.99 3.14 -1.26 -4.92 118.33 122.41 1x66 n VAL 18 Ca -0.18 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.35 1x66 n VAL 18 Cb 0.55 -1.31 -0.01 0.00 -1.06 0.00 0.00 33.84 32.00 1x66 n VAL 18 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1x66 n ILE 19 N -1.76 4.53 -4.19 1.55 5.41 -1.26 -5.03 119.36 118.61 1x66 n ILE 19 Ca 0.14 -5.75 -0.27 0.00 1.00 0.00 0.00 62.75 57.88 1x66 n ILE 19 Cb 0.47 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.62 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 3.83 0.63 1.39 -7.23 -1.26 -5.12 120.40 108.88 1x66 s VAL 20 Ca 0.40 -1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 59.04 1x66 s VAL 20 Cb 0.18 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 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 -2.95 2.95 0.03 4.82 0.04 -1.26 -4.98 135.00 133.63 1x66 s PRO 21 Ca 0.28 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1x66 s PRO 21 Cb -0.09 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1x66 s PRO 21 CO 0.19 -1.14 1.15 0.00 0.04 0.00 0.00 177.00 177.24 1x66 h ALA 22 N 0.33 -0.70 -1.03 8.56 0.00 -1.99 -3.39 119.26 121.03 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 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1x66 h ALA 22 CO 0.55 -0.74 1.45 -0.25 0.00 0.00 0.00 179.25 180.26 1x66 n ASP 23 N -3.25 2.00 0.17 0.00 8.00 -1.26 -4.79 116.55 117.42 1x66 n ASP 23 Ca -0.02 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.95 1x66 n ASP 23 Cb 0.11 -1.26 0.55 0.00 -0.02 0.00 0.00 41.12 40.51 1x66 n ASP 23 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x66 h PRO 24 N 12.76 0.00 0.00 -0.24 0.13 -1.77 -2.64 132.00 140.24 1x66 h PRO 24 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1x66 h PRO 24 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1x66 h PRO 24 CO 1.05 0.00 -0.28 1.79 -0.23 0.00 0.00 178.00 180.33 1x66 h THR 25 N 0.00 0.51 -0.00 1.56 1.35 -1.87 -3.07 112.91 111.39 1x66 h THR 25 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1x66 h THR 25 Cb 0.39 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1x66 h THR 25 CO 0.00 0.28 -0.20 0.18 -0.25 0.00 0.00 175.52 175.53 1x66 n LEU 26 N -3.20 0.47 -4.71 3.87 4.77 -0.99 -3.14 117.00 114.05 1x66 n LEU 26 Ca 0.02 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1x66 n LEU 26 Cb 0.61 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1x66 n LEU 26 CO 0.37 0.09 1.18 0.79 -1.33 0.00 0.00 177.39 178.50 1x66 n TRP 27 N -1.13 2.59 -2.04 -1.77 8.01 -1.16 -4.88 117.44 117.05 1x66 n TRP 27 Ca 0.11 0.28 -0.29 0.00 -1.31 0.00 0.00 57.50 56.29 1x66 n TRP 27 Cb 0.31 -2.56 0.19 0.00 -2.01 0.00 0.00 31.31 27.24 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 0.19 2.00 0.18 -0.99 -4.23 -1.26 -0.06 115.64 111.46 1x66 s THR 28 Ca 0.68 -0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.42 1x66 s THR 28 Cb -0.56 -2.91 0.34 0.00 1.34 0.00 0.00 72.50 70.71 1x66 s THR 28 CO 0.46 0.00 2.01 -0.61 -0.54 0.00 0.00 174.62 175.94 1x66 h GLN 29 N -1.58 0.00 0.06 3.99 4.15 -1.93 -2.33 115.11 117.46 1x66 h GLN 29 Ca -0.43 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.62 1x66 h GLN 29 Cb 1.22 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1x66 h GLN 29 CO 0.33 0.00 -2.25 -1.91 -1.93 0.00 0.00 178.83 173.08 1x66 n GLU 30 N -2.70 0.70 0.04 1.69 4.07 -1.26 -4.25 120.64 118.93 1x66 n GLU 30 Ca -0.02 0.20 -0.11 0.00 -0.06 0.00 0.00 57.16 57.18 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 -0.23 -0.89 4.31 3.86 -1.78 -1.12 115.15 119.33 1x66 h HIS 31 Ca -0.50 0.01 0.25 0.00 -1.16 0.00 0.00 60.37 58.96 1x66 h HIS 31 Cb 1.97 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 30.50 1x66 h HIS 31 CO 0.05 -0.14 0.63 0.28 0.86 0.00 0.00 177.93 179.61 1x66 h VAL 32 N -0.15 0.58 0.10 2.45 2.07 -1.66 0.06 116.25 119.70 1x66 h VAL 32 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1x66 h VAL 32 Cb 0.21 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1x66 h VAL 32 CO -0.11 0.02 -0.05 0.03 0.02 0.00 0.00 177.57 177.48 1x66 h ARG 33 N 0.10 -0.13 -0.69 1.57 3.08 -1.46 -3.06 114.38 113.79 1x66 h ARG 33 Ca 0.44 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.62 1x66 h ARG 33 Cb 1.58 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.57 1x66 h ARG 33 CO -0.05 0.28 0.25 1.96 -1.07 0.00 0.00 179.97 181.34 1x66 h GLN 34 N -0.96 0.39 -0.91 0.04 4.20 -0.46 0.10 115.11 117.51 1x66 h GLN 34 Ca -0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1x66 h GLN 34 Cb 0.46 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1x66 h GLN 34 CO 0.02 0.26 0.60 2.35 -0.67 0.00 0.00 178.83 181.39 1x66 h TRP 35 N 0.40 1.09 0.88 2.96 7.01 -1.13 -1.53 115.95 125.63 1x66 h TRP 35 Ca 0.37 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.36 1x66 h TRP 35 Cb 0.54 -0.36 0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1x66 h TRP 35 CO -0.18 0.60 -0.42 1.25 -2.79 0.00 0.00 178.44 176.90 1x66 h LEU 36 N 1.10 -1.00 -2.02 0.65 5.85 -0.88 -0.80 115.31 118.20 1x66 h LEU 36 Ca 0.38 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.26 1x66 h LEU 36 Cb 0.09 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1x66 h LEU 36 CO -0.13 -0.68 0.40 -0.33 -0.34 0.00 0.00 178.44 177.36 1x66 h GLU 37 N -1.25 0.00 0.31 1.25 5.08 -1.27 -1.59 114.58 117.12 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1x66 h GLU 37 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1x66 h GLU 37 CO 0.20 0.00 -0.15 2.35 -1.00 0.00 0.00 179.01 180.41 1x66 h TRP 38 N 0.00 -0.39 -0.88 4.33 7.01 -0.90 -2.48 115.95 122.63 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 0.63 0.00 -2.79 0.00 0.00 178.44 176.03 1x66 h ALA 39 N -1.34 2.72 -0.07 2.65 0.00 -0.73 0.31 119.26 122.80 1x66 h ALA 39 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x66 h ALA 39 CO 0.07 -0.98 -0.06 0.82 0.00 0.00 0.00 179.25 179.10 1x66 h ILE 40 N 0.07 1.36 0.00 0.00 2.04 -1.33 0.25 117.51 119.90 1x66 h ILE 40 Ca 0.43 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1x66 h ILE 40 Cb 1.59 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1x66 h ILE 40 CO -0.04 0.33 0.00 0.07 0.00 0.00 0.00 178.15 178.51 1x66 h LYS 41 N -0.26 0.00 0.00 2.37 2.10 -0.60 0.34 116.57 120.52 1x66 h LYS 41 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.60 1x66 h LYS 41 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1x66 h LYS 41 CO 0.02 0.00 -0.53 1.49 -2.00 0.00 0.00 179.45 178.43 1x66 h GLU 42 N 0.00 0.00 -0.25 0.07 4.57 -0.38 -3.36 114.58 115.22 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 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1x66 h GLU 42 CO 0.00 0.46 0.00 0.66 -1.18 0.00 0.00 179.01 178.95 1x66 n TYR 43 N -4.60 0.33 -3.65 0.92 4.01 0.85 -4.93 117.16 110.09 1x66 n TYR 43 Ca -0.13 -0.17 -0.27 0.00 -0.16 0.00 0.00 57.90 57.17 1x66 n TYR 43 Cb 0.36 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.33 -4.32 -4.86 7.72 7.64 0.74 -4.96 113.62 115.91 1x66 n SER 44 Ca 0.13 -0.94 -0.31 0.00 1.01 0.00 0.00 58.87 58.75 1x66 n SER 44 Cb 0.28 -3.70 -0.05 0.00 -1.01 0.00 0.00 64.21 59.73 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 -6.41 3.97 0.16 -3.43 1.43 0.86 -5.01 118.68 110.25 1x66 s LEU 45 Ca 0.35 1.16 -0.05 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 -0.28 0.19 -0.04 0.23 0.00 0.00 176.35 177.29 1x66 s MET 46 N -3.37 1.10 -1.47 1.70 -1.94 -1.26 -4.83 119.30 109.23 1x66 s MET 46 Ca 0.52 -1.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1x66 s MET 46 Cb -0.10 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1x66 s MET 46 CO 0.24 -0.37 0.07 0.39 -0.01 0.00 0.00 175.02 175.34 1x66 n GLU 47 N -0.19 -1.78 -4.22 2.03 1.02 -1.26 -4.65 120.64 111.60 1x66 n GLU 47 Ca -0.05 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 1x66 n GLU 47 Cb 0.64 -5.32 -0.09 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 -2.90 4.56 -0.74 -3.67 2.07 -1.26 -3.66 121.20 115.59 1x66 s ILE 48 Ca 0.04 -0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 58.96 1x66 s ILE 48 Cb -0.02 -2.97 0.14 0.00 0.13 0.00 0.00 42.46 39.74 1x66 s ILE 48 CO 0.04 0.56 0.84 -0.62 -1.91 0.00 0.00 174.94 173.85 1x66 s ASP 49 N -0.48 6.44 0.48 4.50 -1.08 0.87 -4.87 116.67 122.54 1x66 s ASP 49 Ca 0.09 -1.89 0.26 0.00 -0.52 0.00 0.00 52.55 50.49 1x66 s ASP 49 Cb -0.12 -2.31 1.19 0.00 -1.46 0.00 0.00 42.92 40.22 1x66 s ASP 49 CO 0.02 -0.98 1.94 0.71 0.52 0.00 0.00 175.17 177.39 1x66 h THR 50 N 5.63 0.53 0.00 1.71 1.35 -1.97 -2.56 112.91 117.60 1x66 h THR 50 Ca -0.08 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 1x66 h THR 50 Cb 1.06 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1x66 h THR 50 CO 1.02 0.17 -0.17 -1.28 -0.25 0.00 0.00 175.52 175.01 1x66 h SER 51 N 0.00 0.00 0.45 5.36 0.87 -1.97 -1.97 113.55 116.29 1x66 h SER 51 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1x66 h SER 51 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1x66 h SER 51 CO 0.02 0.17 -0.17 0.15 -0.53 0.00 0.00 176.83 176.48 1x66 h PHE 52 N 0.00 0.00 -0.27 2.24 3.04 -1.85 -2.41 116.94 117.70 1x66 h PHE 52 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1x66 h PHE 52 Cb 0.41 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.88 1x66 h PHE 52 CO 0.00 0.17 -0.03 1.19 -2.02 0.00 0.00 178.31 177.62 1x66 n PHE 53 N -3.69 0.89 0.23 0.41 3.01 -0.76 -4.61 117.46 112.94 1x66 n PHE 53 Ca -0.02 -1.17 0.09 0.00 1.01 0.00 0.00 57.45 57.36 1x66 n PHE 53 Cb 0.29 -0.36 0.52 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 1.29 0.00 -0.23 -1.08 3.07 -1.19 -3.22 115.11 113.74 1x66 h GLN 54 Ca 0.09 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.61 1x66 h GLN 54 Cb 1.48 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.67 1x66 h GLN 54 CO 0.26 0.24 -1.02 -1.71 0.09 0.00 0.00 178.83 176.69 1x66 n ASN 55 N -3.65 1.56 -4.30 0.06 2.85 -1.26 -4.90 115.26 105.62 1x66 n ASN 55 Ca -0.01 -2.27 -0.45 0.00 -0.11 0.00 0.00 54.58 51.74 1x66 n ASN 55 Cb 0.36 -0.39 -0.06 0.00 1.24 0.00 0.00 39.78 40.93 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 -2.06 2.90 0.66 1.20 1.75 -1.22 -5.03 119.30 117.50 1x66 s MET 56 Ca 0.33 -1.69 -0.18 0.00 -1.25 0.00 0.00 55.69 52.89 1x66 s MET 56 Cb 0.36 -4.22 -0.01 0.00 2.84 0.00 0.00 34.83 33.80 1x66 s MET 56 CO -0.09 -1.28 1.26 -0.40 -0.65 0.00 0.00 175.02 173.85 1x66 n ASP 57 N 5.19 1.89 -0.37 1.11 5.68 -1.26 -4.64 116.55 124.15 1x66 n ASP 57 Ca -0.13 0.81 0.28 0.00 -0.50 0.00 0.00 54.79 55.25 1x66 n ASP 57 Cb 0.40 -1.54 0.56 0.00 -1.14 0.00 0.00 41.12 39.40 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 0.41 1.44 0.97 6.12 0.00 -0.60 0.40 103.07 111.81 1x66 h GLY 58 Ca -0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1x66 h GLY 58 CO 0.52 -0.32 0.21 0.50 0.00 0.00 0.00 176.54 177.45 1x66 h LYS 59 N 0.26 0.74 0.00 4.80 1.79 -1.73 -1.38 116.57 121.04 1x66 h LYS 59 Ca 0.71 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1x66 h LYS 59 Cb 1.96 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1x66 h LYS 59 CO -0.41 0.65 0.00 0.39 -1.08 0.00 0.00 179.45 179.00 1x66 n GLU 60 N -4.57 0.09 0.03 3.15 -0.58 0.12 -2.79 120.64 116.09 1x66 n GLU 60 Ca 0.02 0.15 -0.03 0.00 -0.42 0.00 0.00 57.16 56.87 1x66 n GLU 60 Cb 0.15 -1.62 -0.09 0.00 -0.57 0.00 0.00 31.44 29.30 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 -0.29 -3.15 115.31 113.10 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 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1x66 h LEU 61 CO 0.00 0.76 -0.59 0.00 -0.34 0.00 0.00 178.44 178.27 1x66 n LYS 63 N -1.91 0.63 -0.79 0.00 2.85 -1.12 -4.95 118.16 112.88 1x66 n LYS 63 Ca 0.04 0.18 -0.33 0.00 -1.05 0.00 0.00 58.31 57.15 1x66 n LYS 63 Cb 0.41 -1.76 0.12 0.00 -0.65 0.00 0.00 35.03 33.15 1x66 n LYS 63 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1x66 n MET 64 N -2.84 -0.30 -4.57 -1.58 2.81 -1.19 -5.03 117.12 104.41 1x66 n MET 64 Ca -0.12 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.45 1x66 n MET 64 Cb 0.87 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 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 -2.06 3.09 0.28 7.83 0.01 -1.26 -4.98 114.94 117.85 1x66 s ASN 65 Ca 0.57 -1.66 0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1x66 s ASN 65 Cb -0.21 0.48 0.59 0.00 0.41 0.00 0.00 41.25 42.52 1x66 s ASN 65 CO 0.67 -0.90 1.77 0.50 -1.51 0.00 0.00 177.10 177.62 1x66 h LYS 66 N 1.70 0.66 0.74 -0.60 1.63 -1.96 0.20 116.57 118.94 1x66 h LYS 66 Ca -0.37 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.35 1x66 h LYS 66 Cb 1.28 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1x66 h LYS 66 CO 0.61 0.43 -0.35 0.93 -3.45 0.00 0.00 179.45 177.62 1x66 h GLU 67 N 0.68 -0.95 -0.84 1.90 4.39 -1.97 0.24 114.58 118.02 1x66 h GLU 67 Ca 0.50 0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.44 1x66 h GLU 67 Cb 0.72 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 1x66 h GLU 67 CO -0.37 -0.63 0.55 -0.44 -1.16 0.00 0.00 179.01 176.97 1x66 h ASP 68 N -1.24 0.43 0.66 1.42 3.32 -1.86 0.10 116.42 119.26 1x66 h ASP 68 Ca -0.10 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.78 1x66 h ASP 68 Cb 0.77 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1x66 h ASP 68 CO 0.17 0.20 -0.93 -0.26 -1.72 0.00 0.00 179.24 176.70 1x66 h PHE 69 N 0.44 0.25 0.00 4.55 0.04 -0.50 -3.12 116.94 118.60 1x66 h PHE 69 Ca 0.42 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1x66 h PHE 69 Cb 0.98 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.11 1x66 h PHE 69 CO -0.00 1.00 0.00 -0.07 -0.60 0.00 0.00 178.31 178.64 1x66 h LEU 70 N 0.08 0.00 -0.32 1.54 3.38 0.20 0.24 115.31 120.43 1x66 h LEU 70 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x66 h LEU 70 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1x66 h LEU 70 CO 0.14 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.21 1x66 n ARG 71 N -2.96 1.22 0.00 1.13 1.74 -0.74 -4.04 116.66 113.00 1x66 n ARG 71 Ca 0.01 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1x66 n ARG 71 Cb 0.28 -1.42 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 -0.55 1.96 -2.44 7.54 0.00 -0.78 -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 53.41 1x66 n ALA 72 Cb 0.17 0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.41 1.96 1.04 0.00 -1.32 0.77 -0.09 115.64 116.60 1x66 s THR 73 Ca 0.00 -2.03 -0.12 0.00 -1.21 0.00 0.00 61.69 58.33 1x66 s THR 73 Cb 0.00 -1.96 0.22 0.00 -1.51 0.00 0.00 72.50 69.24 1x66 s THR 73 CO 0.00 -0.33 1.07 0.28 -2.21 0.00 0.00 174.62 173.43 1x66 s THR 74 N -2.17 2.15 0.10 5.08 -1.32 -1.24 -4.06 115.64 114.19 1x66 s THR 74 Ca 0.19 0.05 -0.24 0.00 -1.21 0.00 0.00 61.69 60.48 1x66 s THR 74 Cb -0.05 -2.18 -0.10 0.00 -1.51 0.00 0.00 72.50 68.65 1x66 s THR 74 CO 0.08 -0.06 1.70 0.25 -2.21 0.00 0.00 174.62 174.37 1x66 h LEU 75 N -2.21 -0.28 -0.46 9.08 5.85 -1.94 0.15 115.31 125.50 1x66 h LEU 75 Ca -0.54 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1x66 h LEU 75 Cb 1.31 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 1x66 h LEU 75 CO 0.49 -0.14 -0.18 0.22 -0.34 0.00 0.00 178.44 178.48 1x66 h TYR 76 N -0.18 -0.44 -0.30 1.25 5.03 -1.99 0.25 116.97 120.59 1x66 h TYR 76 Ca 0.03 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 1x66 h TYR 76 Cb 0.21 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 1x66 h TYR 76 CO -0.15 -0.27 -0.17 -0.91 -1.32 0.00 0.00 178.16 175.34 1x66 h ASN 77 N -0.08 0.52 -0.17 -2.11 2.35 -1.85 -2.58 115.58 111.65 1x66 h ASN 77 Ca 0.22 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1x66 h ASN 77 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1x66 h ASN 77 CO -0.51 0.71 0.12 0.74 -1.65 0.00 0.00 177.43 176.83 1x66 h THR 78 N 0.48 0.99 0.03 2.81 2.02 0.13 -0.70 112.91 118.67 1x66 h THR 78 Ca 0.08 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.96 1x66 h THR 78 Cb 0.57 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1x66 h THR 78 CO 0.04 0.02 -1.04 -0.33 0.37 0.00 0.00 175.52 174.58 1x66 h GLU 79 N 0.14 0.51 0.37 6.66 5.08 -0.90 -2.79 114.58 123.65 1x66 h GLU 79 Ca 0.07 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1x66 h GLU 79 Cb 0.12 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1x66 h GLU 79 CO -0.01 1.22 -0.18 0.28 -1.00 0.00 0.00 179.01 179.32 1x66 h VAL 80 N 0.27 0.53 0.04 3.13 2.07 -1.19 -1.50 116.25 119.60 1x66 h VAL 80 Ca -0.11 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1x66 h VAL 80 Cb 1.69 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1x66 h VAL 80 CO 0.19 0.10 -0.31 -0.07 0.02 0.00 0.00 177.57 177.50 1x66 h LEU 81 N -0.89 -0.90 -0.59 2.57 3.38 -1.29 0.26 115.31 117.84 1x66 h LEU 81 Ca -0.05 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1x66 h LEU 81 Cb 0.54 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1x66 h LEU 81 CO 0.08 -0.38 0.23 -0.07 0.09 0.00 0.00 178.44 178.39 1x66 h LEU 82 N -0.48 0.24 -0.39 1.67 -0.00 -1.58 0.12 115.31 114.89 1x66 h LEU 82 Ca 0.05 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1x66 h LEU 82 Cb 0.55 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1x66 h LEU 82 CO -0.23 0.15 0.20 -1.28 -0.00 0.00 0.00 178.44 177.27 1x66 h SER 83 N 0.42 0.50 0.74 -0.43 0.87 -0.66 0.17 113.55 115.16 1x66 h SER 83 Ca 0.29 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1x66 h SER 83 Cb 0.34 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1x66 h SER 83 CO -0.28 0.48 -0.35 -0.74 -0.53 0.00 0.00 176.83 175.40 1x66 h HIS 84 N 0.49 -0.92 -0.55 2.24 -0.00 0.25 -2.89 115.15 113.78 1x66 h HIS 84 Ca 0.14 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.53 1x66 h HIS 84 Cb 0.10 0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 1x66 h HIS 84 CO -0.02 -0.55 0.37 1.25 -0.00 0.00 0.00 177.93 178.98 1x66 h LEU 85 N -1.07 0.49 -1.49 0.26 5.85 -0.78 -1.39 115.31 117.17 1x66 h LEU 85 Ca -0.10 -0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.82 1x66 h LEU 85 Cb 0.77 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1x66 h LEU 85 CO 0.17 0.33 0.60 -1.28 -0.34 0.00 0.00 178.44 177.91 1x66 h SER 86 N 0.56 0.43 0.00 1.25 0.87 -0.44 0.25 113.55 116.46 1x66 h SER 86 Ca 0.23 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1x66 h SER 86 Cb 0.21 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1x66 h SER 86 CO -0.06 0.17 -0.17 0.22 -0.53 0.00 0.00 176.83 176.46 1x66 h TYR 87 N 0.42 0.00 -0.83 2.24 3.20 -1.20 -3.11 116.97 117.70 1x66 h TYR 87 Ca 0.47 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.56 1x66 h TYR 87 Cb 1.15 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1x66 h TYR 87 CO -0.00 0.52 0.58 -0.07 -1.64 0.00 0.00 178.16 177.54 1x66 h LEU 88 N -1.00 0.13 -0.37 2.82 4.07 -1.15 0.23 115.31 120.04 1x66 h LEU 88 Ca -0.03 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 1x66 h LEU 88 Cb 0.55 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1x66 h LEU 88 CO -0.02 0.05 -0.73 0.03 -1.08 0.00 0.00 178.44 176.69 1x66 h ARG 89 N 0.13 0.48 -1.13 1.13 3.08 -0.64 -3.16 114.38 114.27 1x66 h ARG 89 Ca 0.41 -0.39 -0.50 0.00 0.07 0.00 0.00 59.98 59.57 1x66 h ARG 89 Cb 1.40 0.08 -0.24 0.00 0.08 0.00 0.00 29.97 31.29 1x66 h ARG 89 CO -0.06 1.02 0.65 0.39 -1.07 0.00 0.00 179.97 180.90 1x66 n GLU 90 N -3.86 2.24 -2.93 0.04 -0.58 0.76 -4.92 120.64 111.40 1x66 n GLU 90 Ca -0.05 -2.57 -0.10 0.00 -0.42 0.00 0.00 57.16 54.03 1x66 n GLU 90 Cb 0.71 -2.01 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 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 -0.57 1.17 -2.82 1.62 2.88 -1.00 -4.86 113.62 110.04 1x66 n SER 91 Ca 0.50 -1.84 -0.06 0.00 -1.33 0.00 0.00 58.87 56.15 1x66 n SER 91 Cb 0.91 0.38 0.01 0.00 -0.75 0.00 0.00 64.21 64.75 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 -1.79 -7.94 -2.88 -3.46 2.88 -1.26 -4.54 113.62 94.62 1x66 n SER 92 Ca -0.03 0.85 -0.06 0.00 -1.33 0.00 0.00 58.87 58.30 1x66 n SER 92 Cb 0.24 -5.28 0.01 0.00 -0.75 0.00 0.00 64.21 58.42 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 0.08 -7.64 -1.11 -3.46 2.88 -1.26 -5.02 113.62 98.09 1x66 n SER 93 Ca 0.07 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x66 n SER 93 Cb 0.30 -4.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 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 0.37 4.64 1.96 0.46 0.00 -1.26 -5.16 105.19 106.20 1x66 n GLY 94 Ca 0.03 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 1x66 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x66 n PRO 95 N 0.00 -2.21 -2.95 1.61 -0.04 -1.26 -5.02 135.00 125.13 1x66 n PRO 95 Ca 0.00 -0.98 -0.34 0.00 -0.04 0.00 0.00 63.50 62.14 1x66 n PRO 95 Cb 0.00 -0.92 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1x66 n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x66 s SER 96 N -3.16 6.99 -0.59 3.54 1.04 -1.26 -4.99 113.70 115.27 1x66 s SER 96 Ca 0.40 1.55 0.02 0.00 0.48 0.00 0.00 55.95 58.40 1x66 s SER 96 Cb -0.04 -2.48 0.41 0.00 0.10 0.00 0.00 66.02 64.01 1x66 s SER 96 CO 0.30 -0.19 1.59 -1.20 0.98 0.00 0.00 173.24 174.72 1x66 n SER 97 N -0.10 6.20 0.00 7.02 7.64 -1.26 -5.29 113.62 127.83 1x66 n SER 97 Ca 0.03 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1x66 n SER 97 Cb 0.52 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64