#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 2.92 -1.15 1.61 0.01 -1.26 -3.82 113.70 112.01 1x66 s SER 2 Ca 0.00 2.09 -0.08 0.00 1.31 0.00 0.00 55.95 59.28 1x66 s SER 2 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1x66 s SER 2 CO 0.00 -3.09 0.84 -0.24 0.41 0.00 0.00 173.24 171.16 1x66 n SER 3 N -4.22 -4.38 -0.26 2.44 2.88 -1.26 -4.89 113.62 103.93 1x66 n SER 3 Ca 0.11 -0.81 0.01 0.00 -1.33 0.00 0.00 58.87 56.85 1x66 n SER 3 Cb 0.52 -4.43 0.14 0.00 -0.75 0.00 0.00 64.21 59.69 1x66 n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x66 h GLY 4 N -1.59 1.13 -5.69 0.46 0.00 -2.07 -3.46 103.07 91.85 1x66 h GLY 4 Ca -0.62 -0.27 -0.32 0.00 0.00 0.00 0.00 47.33 46.12 1x66 h GLY 4 CO 0.49 0.12 -0.84 1.44 0.00 0.00 0.00 176.54 177.75 1x66 n SER 5 N -4.79 -4.48 -4.85 0.19 7.64 -1.26 -4.98 113.62 101.09 1x66 n SER 5 Ca 0.11 -0.74 -0.32 0.00 1.01 0.00 0.00 58.87 58.94 1x66 n SER 5 Cb 0.24 -4.81 -0.01 0.00 -1.01 0.00 0.00 64.21 58.62 1x66 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x66 s SER 6 N -3.80 6.33 -0.70 6.43 1.04 -1.26 -4.46 113.70 117.28 1x66 s SER 6 Ca 0.27 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 1x66 s SER 6 Cb -0.05 -2.49 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x66 s SER 6 CO 0.76 -0.79 0.66 0.61 0.98 0.00 0.00 173.24 175.46 1x66 n GLY 7 N -2.17 -1.17 3.69 7.32 0.00 -1.26 -5.00 105.19 106.60 1x66 n GLY 7 Ca 0.06 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.03 0.74 0.50 1.61 0.04 -1.26 -5.01 135.00 128.59 1x66 s PRO 8 Ca 0.01 0.63 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1x66 s PRO 8 Cb -0.00 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 1x66 s PRO 8 CO 0.70 -2.55 1.15 -1.25 0.04 0.00 0.00 177.00 175.09 1x66 s PRO 9 N -4.95 3.58 0.08 0.56 0.04 -1.26 -5.02 135.00 128.03 1x66 s PRO 9 Ca 0.65 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 1x66 s PRO 9 Cb -0.18 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 1x66 s PRO 9 CO 0.57 -0.68 0.58 -0.80 0.04 0.00 0.00 177.00 176.71 1x66 s ASN 10 N -1.54 7.07 -0.42 6.66 -0.87 -1.26 -5.04 114.94 119.55 1x66 s ASN 10 Ca 0.68 1.28 -0.21 0.00 -1.57 0.00 0.00 52.86 53.03 1x66 s ASN 10 Cb -0.27 -2.36 0.02 0.00 -0.02 0.00 0.00 41.25 38.62 1x66 s ASN 10 CO 0.31 0.26 0.68 -0.32 -2.57 0.00 0.00 177.10 175.47 1x66 s MET 11 N -1.15 3.42 0.11 -0.60 -2.45 -1.26 -5.04 119.30 112.33 1x66 s MET 11 Ca 0.30 -0.18 -0.21 0.00 -1.25 0.00 0.00 55.69 54.35 1x66 s MET 11 Cb -0.20 -3.91 -0.07 0.00 1.25 0.00 0.00 34.83 31.91 1x66 s MET 11 CO 0.19 -0.97 0.64 0.99 1.05 0.00 0.00 175.02 176.92 1x66 s THR 12 N 2.92 4.62 -0.00 10.11 2.01 -1.26 -5.02 115.64 129.03 1x66 s THR 12 Ca 0.25 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 1x66 s THR 12 Cb -0.14 -3.96 0.10 0.00 0.01 0.00 0.00 72.50 68.51 1x66 s THR 12 CO 0.19 0.53 1.27 0.28 -0.69 0.00 0.00 174.62 176.19 1x66 s THR 13 N -1.15 0.00 -1.43 -0.82 -1.32 -1.26 -5.00 115.64 104.66 1x66 s THR 13 Ca 0.32 -0.22 -0.09 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 13 Cb -0.20 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.15 1x66 s THR 13 CO 0.21 0.00 2.72 0.59 -2.21 0.00 0.00 174.62 175.93 1x66 n ASN 14 N -0.84 7.67 -2.60 8.08 4.13 -1.26 -4.68 115.26 125.76 1x66 n ASN 14 Ca -0.02 -2.50 -0.05 0.00 1.68 0.00 0.00 54.58 53.69 1x66 n ASN 14 Cb 0.60 -1.43 -0.04 0.00 -1.54 0.00 0.00 39.78 37.37 1x66 n ASN 14 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1x66 n GLU 15 N 3.78 -4.54 -2.95 3.52 4.07 -1.26 -4.68 120.64 118.58 1x66 n GLU 15 Ca 0.69 3.43 -0.04 0.00 -0.06 0.00 0.00 57.16 61.18 1x66 n GLU 15 Cb 0.20 -5.12 0.00 0.00 -0.06 0.00 0.00 31.44 26.46 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x66 n ARG 16 N 1.61 -2.21 -3.64 5.31 1.74 -1.26 -5.04 116.66 113.17 1x66 n ARG 16 Ca -0.39 1.96 -0.03 0.00 -0.77 0.00 0.00 57.85 58.63 1x66 n ARG 16 Cb 0.61 -3.72 -0.05 0.00 -1.02 0.00 0.00 32.46 28.28 1x66 n ARG 16 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1x66 s ARG 17 N -1.58 0.09 0.03 5.56 3.52 -1.26 -5.05 118.95 120.26 1x66 s ARG 17 Ca 0.05 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1x66 s ARG 17 Cb -0.01 0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1x66 s ARG 17 CO 0.53 -0.03 -0.06 0.54 -0.81 0.00 0.00 175.30 175.48 1x66 s VAL 18 N -0.80 0.34 -0.85 7.11 0.11 -1.26 -4.69 120.40 120.36 1x66 s VAL 18 Ca 0.08 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1x66 s VAL 18 Cb -0.02 -0.44 0.31 0.00 -1.53 0.00 0.00 36.38 34.70 1x66 s VAL 18 CO -0.09 -0.42 1.33 -0.38 -3.33 0.00 0.00 175.10 172.22 1x66 n ILE 19 N 1.58 4.50 -4.20 7.04 5.41 -1.26 -5.03 119.36 127.40 1x66 n ILE 19 Ca -0.23 -5.74 -0.27 0.00 1.00 0.00 0.00 62.75 57.51 1x66 n ILE 19 Cb 0.55 -1.71 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.75 3.75 0.62 1.39 -7.23 -1.26 -5.12 120.40 108.80 1x66 s VAL 20 Ca 0.40 -1.40 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 1x66 s VAL 20 Cb 0.18 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1x66 s VAL 20 CO -0.06 -0.10 1.12 -2.16 -0.31 0.00 0.00 175.10 173.58 1x66 s PRO 21 N -2.93 3.00 0.01 4.82 0.04 -1.26 -4.99 135.00 133.69 1x66 s PRO 21 Ca 0.27 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 1x66 s PRO 21 Cb -0.09 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x66 s PRO 21 CO 0.19 -1.11 1.05 0.00 0.04 0.00 0.00 177.00 177.17 1x66 h ALA 22 N 0.46 -0.61 -1.10 8.56 0.00 -1.95 -3.39 119.26 121.23 1x66 h ALA 22 Ca -0.48 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.77 1x66 h ALA 22 Cb 1.25 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1x66 h ALA 22 CO 0.55 -0.62 1.45 -0.25 0.00 0.00 0.00 179.25 180.37 1x66 n ASP 23 N -2.70 2.10 0.23 0.00 8.00 -1.26 -4.79 116.55 118.13 1x66 n ASP 23 Ca -0.01 0.35 0.16 0.00 0.71 0.00 0.00 54.79 56.00 1x66 n ASP 23 Cb 0.04 -1.27 0.65 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 12.82 0.00 0.00 -0.24 0.13 -1.77 -2.64 132.00 140.30 1x66 h PRO 24 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 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 1.04 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.60 1x66 h THR 25 N 0.00 0.00 -0.01 1.56 1.35 -1.87 -2.74 112.91 111.21 1x66 h THR 25 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1x66 h THR 25 Cb 0.44 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1x66 h THR 25 CO 0.00 0.00 -0.36 0.18 -0.25 0.00 0.00 175.52 175.09 1x66 n LEU 26 N -3.03 0.94 -4.72 3.87 4.77 -0.99 -3.49 117.00 114.35 1x66 n LEU 26 Ca 0.02 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1x66 n LEU 26 Cb 0.39 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1x66 n LEU 26 CO 0.29 0.19 1.18 0.79 -1.33 0.00 0.00 177.39 178.51 1x66 n TRP 27 N -0.87 2.62 -1.99 -1.77 8.01 -1.03 -4.88 117.44 117.53 1x66 n TRP 27 Ca 0.10 0.30 -0.29 0.00 -1.31 0.00 0.00 57.50 56.29 1x66 n TRP 27 Cb 0.35 -2.56 0.19 0.00 -2.01 0.00 0.00 31.31 27.28 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 0.07 2.01 0.29 -0.99 -4.23 -1.26 -0.05 115.64 111.48 1x66 s THR 28 Ca 0.66 -0.05 0.36 0.00 -1.18 0.00 0.00 61.69 61.48 1x66 s THR 28 Cb -0.55 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 70.70 1x66 s THR 28 CO 0.48 0.00 2.09 -0.61 -0.54 0.00 0.00 174.62 176.04 1x66 h GLN 29 N -1.59 0.00 0.04 3.99 4.15 -1.93 -2.52 115.11 117.25 1x66 h GLN 29 Ca -0.44 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.61 1x66 h GLN 29 Cb 1.23 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1x66 h GLN 29 CO 0.36 0.00 -2.18 -1.91 -1.93 0.00 0.00 178.83 173.18 1x66 n GLU 30 N -2.78 0.66 -0.06 1.69 2.13 -1.26 -4.29 120.64 116.73 1x66 n GLU 30 Ca -0.02 0.26 -0.08 0.00 0.66 0.00 0.00 57.16 57.99 1x66 n GLU 30 Cb 0.09 -1.61 -0.01 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 -0.28 -0.56 -0.91 4.31 3.86 -1.80 0.12 115.15 119.88 1x66 h HIS 31 Ca -0.52 0.04 0.26 0.00 -1.16 0.00 0.00 60.37 58.99 1x66 h HIS 31 Cb 1.81 0.29 -0.04 0.00 1.06 0.00 0.00 27.41 30.53 1x66 h HIS 31 CO 0.03 -0.29 0.66 0.28 0.86 0.00 0.00 177.93 179.47 1x66 h VAL 32 N -0.20 0.55 0.08 2.45 2.07 -1.70 -0.05 116.25 119.45 1x66 h VAL 32 Ca 0.15 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1x66 h VAL 32 Cb 0.43 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1x66 h VAL 32 CO -0.39 0.00 -0.04 0.03 0.02 0.00 0.00 177.57 177.19 1x66 h ARG 33 N 0.02 -0.11 -0.60 1.57 3.08 -1.00 -3.05 114.38 114.29 1x66 h ARG 33 Ca 0.44 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.59 1x66 h ARG 33 Cb 1.73 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.72 1x66 h ARG 33 CO -0.01 0.36 0.19 1.96 -1.07 0.00 0.00 179.97 181.40 1x66 h GLN 34 N -0.94 0.34 -0.99 0.04 4.20 -0.29 -0.71 115.11 116.76 1x66 h GLN 34 Ca -0.01 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1x66 h GLN 34 Cb 0.51 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1x66 h GLN 34 CO 0.02 0.23 0.64 2.35 -0.67 0.00 0.00 178.83 181.39 1x66 h TRP 35 N 0.35 1.18 0.85 2.96 7.01 -1.16 -1.37 115.95 125.78 1x66 h TRP 35 Ca 0.31 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.30 1x66 h TRP 35 Cb 0.41 -0.39 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1x66 h TRP 35 CO -0.19 0.60 -0.41 1.25 -2.79 0.00 0.00 178.44 176.90 1x66 h LEU 36 N 1.15 -0.97 -1.99 0.65 5.85 -1.03 -0.66 115.31 118.31 1x66 h LEU 36 Ca 0.43 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.38 1x66 h LEU 36 Cb 0.19 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1x66 h LEU 36 CO -0.18 -0.68 0.51 -0.33 -0.34 0.00 0.00 178.44 177.42 1x66 h GLU 37 N -1.17 0.00 0.38 1.25 5.08 -1.25 -1.42 114.58 117.45 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 0.88 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 -0.18 2.35 -1.00 0.00 0.00 179.01 180.37 1x66 h TRP 38 N 0.00 -0.47 -0.85 4.33 7.01 -0.87 -2.25 115.95 122.85 1x66 h TRP 38 Ca 0.31 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.54 1x66 h TRP 38 Cb 1.32 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.50 1x66 h TRP 38 CO 0.00 -0.29 0.61 0.00 -2.79 0.00 0.00 178.44 175.96 1x66 h ALA 39 N -1.32 2.79 0.12 2.65 0.00 -0.60 0.30 119.26 123.20 1x66 h ALA 39 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x66 h ALA 39 CO 0.09 -1.03 -0.06 0.82 0.00 0.00 0.00 179.25 179.07 1x66 h ILE 40 N 0.01 1.08 0.00 0.00 2.04 -1.29 0.24 117.51 119.60 1x66 h ILE 40 Ca 0.40 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1x66 h ILE 40 Cb 1.61 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1x66 h ILE 40 CO -0.01 0.25 0.00 0.07 0.00 0.00 0.00 178.15 178.46 1x66 h LYS 41 N -0.69 0.00 0.00 2.37 2.10 -0.60 0.34 116.57 120.09 1x66 h LYS 41 Ca -0.02 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 1x66 h LYS 41 Cb 0.53 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1x66 h LYS 41 CO 0.03 0.00 -1.03 1.49 -2.00 0.00 0.00 179.45 177.94 1x66 h GLU 42 N 0.00 0.00 -0.38 0.07 4.57 -0.40 -3.37 114.58 115.07 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 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1x66 h GLU 42 CO 0.00 0.73 0.00 0.66 -1.18 0.00 0.00 179.01 179.22 1x66 n TYR 43 N -4.49 0.50 -3.72 0.92 4.01 0.85 -4.93 117.16 110.30 1x66 n TYR 43 Ca -0.25 -0.25 -0.25 0.00 -0.16 0.00 0.00 57.90 56.99 1x66 n TYR 43 Cb 0.56 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.59 -2.71 -4.86 7.72 7.64 0.84 -4.95 113.62 117.90 1x66 n SER 44 Ca 0.12 -0.92 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 1x66 n SER 44 Cb 0.32 -3.66 -0.05 0.00 -1.01 0.00 0.00 64.21 59.80 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 -6.59 4.02 0.19 -3.43 1.43 0.84 -5.01 118.68 110.12 1x66 s LEU 45 Ca 0.19 1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 1x66 s LEU 45 Cb -0.06 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1x66 s LEU 45 CO 0.84 -0.24 0.21 -0.04 0.23 0.00 0.00 176.35 177.36 1x66 s MET 46 N -3.15 1.20 -1.56 1.70 -1.94 -1.26 -4.80 119.30 109.48 1x66 s MET 46 Ca 0.53 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1x66 s MET 46 Cb -0.10 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.21 -0.42 0.00 0.39 -0.01 0.00 0.00 175.02 175.19 1x66 n GLU 47 N -0.24 -1.37 -4.05 2.03 1.02 -1.26 -4.65 120.64 112.12 1x66 n GLU 47 Ca -0.02 0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 57.65 1x66 n GLU 47 Cb 0.64 -5.33 -0.08 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.84 4.99 -0.93 -3.67 2.07 -1.26 -3.80 121.20 115.76 1x66 s ILE 48 Ca 0.00 0.02 -0.14 0.00 -1.41 0.00 0.00 60.65 59.12 1x66 s ILE 48 Cb 0.00 -3.18 0.21 0.00 0.13 0.00 0.00 42.46 39.62 1x66 s ILE 48 CO 0.00 0.57 0.95 -0.62 -1.91 0.00 0.00 174.94 173.93 1x66 s ASP 49 N -0.61 6.86 0.52 4.50 2.15 0.85 -4.86 116.67 126.08 1x66 s ASP 49 Ca 0.12 -2.75 0.22 0.00 0.43 0.00 0.00 52.55 50.57 1x66 s ASP 49 Cb -0.12 -2.26 1.38 0.00 -0.30 0.00 0.00 42.92 41.62 1x66 s ASP 49 CO 0.02 -0.63 2.11 0.71 -0.17 0.00 0.00 175.17 177.21 1x66 h THR 50 N 4.78 0.81 0.00 1.71 1.35 -1.97 -1.65 112.91 117.94 1x66 h THR 50 Ca 0.15 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1x66 h THR 50 Cb 1.00 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1x66 h THR 50 CO 0.91 0.09 -0.00 -1.28 -0.25 0.00 0.00 175.52 174.98 1x66 h SER 51 N 0.00 0.00 0.57 5.36 0.87 -1.96 -0.11 113.55 118.28 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 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1x66 h SER 51 CO 0.01 0.00 -0.18 0.15 -0.53 0.00 0.00 176.83 176.28 1x66 h PHE 52 N 0.00 0.00 -0.25 2.24 3.04 -1.69 -2.51 116.94 117.77 1x66 h PHE 52 Ca -0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1x66 h PHE 52 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1x66 h PHE 52 CO 0.00 0.18 -0.01 1.19 -2.02 0.00 0.00 178.31 177.65 1x66 n PHE 53 N -3.57 0.87 0.22 0.41 3.01 -0.08 -4.60 117.46 113.72 1x66 n PHE 53 Ca -0.01 -1.01 0.07 0.00 1.01 0.00 0.00 57.45 57.50 1x66 n PHE 53 Cb 0.32 -0.33 0.49 0.00 -0.01 0.00 0.00 39.48 39.96 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 1.47 0.00 -0.67 -1.08 3.07 -1.12 -3.22 115.11 113.55 1x66 h GLN 54 Ca 0.04 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.45 1x66 h GLN 54 Cb 1.44 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.60 1x66 h GLN 54 CO 0.23 0.26 -1.07 -1.71 0.09 0.00 0.00 178.83 176.63 1x66 n ASN 55 N -3.86 2.23 -4.18 0.06 2.85 -1.26 -4.87 115.26 106.22 1x66 n ASN 55 Ca -0.02 -2.53 -0.38 0.00 -0.11 0.00 0.00 54.58 51.54 1x66 n ASN 55 Cb 0.35 -0.47 -0.11 0.00 1.24 0.00 0.00 39.78 40.79 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 -3.61 2.29 0.65 1.20 1.75 -1.22 -5.05 119.30 115.32 1x66 s MET 56 Ca 0.32 -1.68 -0.18 0.00 -1.25 0.00 0.00 55.69 52.90 1x66 s MET 56 Cb 0.37 -3.68 -0.01 0.00 2.84 0.00 0.00 34.83 34.35 1x66 s MET 56 CO -0.02 -1.04 1.27 -0.40 -0.65 0.00 0.00 175.02 174.18 1x66 n ASP 57 N 4.75 1.97 -0.40 1.11 5.68 -1.26 -4.64 116.55 123.75 1x66 n ASP 57 Ca -0.06 0.82 0.32 0.00 -0.50 0.00 0.00 54.79 55.36 1x66 n ASP 57 Cb 0.42 -1.55 0.60 0.00 -1.14 0.00 0.00 41.12 39.45 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 0.47 1.27 0.90 6.12 0.00 -0.59 0.36 103.07 111.60 1x66 h GLY 58 Ca -0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1x66 h GLY 58 CO 0.53 -0.31 0.10 0.50 0.00 0.00 0.00 176.54 177.35 1x66 h LYS 59 N 0.19 0.39 0.00 4.80 1.79 -1.75 -1.41 116.57 120.58 1x66 h LYS 59 Ca 0.74 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1x66 h LYS 59 Cb 2.19 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 1x66 h LYS 59 CO -0.38 0.44 0.00 0.39 -1.08 0.00 0.00 179.45 178.82 1x66 n GLU 60 N -4.76 0.05 -0.00 3.15 -0.58 0.11 -2.71 120.64 115.89 1x66 n GLU 60 Ca -0.03 0.20 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1x66 n GLU 60 Cb 0.14 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.45 -3.16 115.31 112.93 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 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1x66 h LEU 61 CO 0.00 0.97 -0.36 0.00 -0.34 0.00 0.00 178.44 178.71 1x66 h LYS 63 N 0.00 0.00 -6.66 0.00 2.10 -1.62 -3.47 116.57 106.91 1x66 h LYS 63 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1x66 h LYS 63 Cb 0.79 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.29 1x66 h LYS 63 CO 0.00 0.44 -0.17 -1.33 -2.00 0.00 0.00 179.45 176.39 1x66 n MET 64 N -3.01 0.64 -4.77 0.07 2.81 -1.19 -5.02 117.12 106.65 1x66 n MET 64 Ca -0.14 0.25 -0.33 0.00 -1.81 0.00 0.00 57.70 55.67 1x66 n MET 64 Cb 0.98 -1.91 -0.07 0.00 -0.71 0.00 0.00 33.22 31.50 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 -1.25 4.09 0.30 7.83 0.01 -1.26 -4.96 114.94 119.71 1x66 s ASN 65 Ca 0.72 -1.70 0.05 0.00 -0.71 0.00 0.00 52.86 51.23 1x66 s ASN 65 Cb -0.42 0.65 0.71 0.00 0.41 0.00 0.00 41.25 42.60 1x66 s ASN 65 CO 0.51 -0.91 1.80 0.50 -1.51 0.00 0.00 177.10 177.48 1x66 h LYS 66 N 1.32 0.78 0.61 -0.60 1.63 -1.95 0.17 116.57 118.54 1x66 h LYS 66 Ca -0.43 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1x66 h LYS 66 Cb 1.32 -0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1x66 h LYS 66 CO 0.72 0.52 -0.29 0.93 -3.45 0.00 0.00 179.45 177.88 1x66 h GLU 67 N 0.81 -0.79 -0.43 1.90 4.39 -1.98 0.24 114.58 118.72 1x66 h GLU 67 Ca 0.55 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.43 1x66 h GLU 67 Cb 0.81 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1x66 h GLU 67 CO -0.34 -0.50 0.36 -0.44 -1.16 0.00 0.00 179.01 176.92 1x66 h ASP 68 N -1.18 0.00 0.59 1.42 3.32 -1.85 0.50 116.42 119.23 1x66 h ASP 68 Ca -0.08 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.69 1x66 h ASP 68 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1x66 h ASP 68 CO 0.14 0.00 -1.40 -0.26 -1.72 0.00 0.00 179.24 176.00 1x66 h PHE 69 N 0.00 0.32 0.00 4.55 0.04 -0.56 -3.27 116.94 118.03 1x66 h PHE 69 Ca 0.20 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1x66 h PHE 69 Cb 0.92 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1x66 h PHE 69 CO 0.00 1.25 0.00 -0.07 -0.60 0.00 0.00 178.31 178.89 1x66 h LEU 70 N 0.05 0.00 -0.28 1.54 3.38 0.17 0.24 115.31 120.41 1x66 h LEU 70 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x66 h LEU 70 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 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 -2.81 1.19 0.00 1.13 1.74 -0.75 -4.05 116.66 113.10 1x66 n ARG 71 Ca 0.01 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 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 -0.61 1.96 -2.44 7.54 0.00 -0.75 -5.03 120.51 121.18 1x66 n ALA 72 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 1x66 n ALA 72 Cb 0.16 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.36 2.02 1.03 0.00 -1.32 0.77 -0.10 115.64 116.67 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 -1.99 0.21 0.00 -1.51 0.00 0.00 72.50 69.21 1x66 s THR 73 CO 0.00 -0.32 1.08 0.28 -2.21 0.00 0.00 174.62 173.45 1x66 s THR 74 N -2.14 2.17 0.10 5.08 -1.32 -1.25 -4.02 115.64 114.26 1x66 s THR 74 Ca 0.20 0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 74 Cb -0.05 -2.20 -0.11 0.00 -1.51 0.00 0.00 72.50 68.63 1x66 s THR 74 CO 0.08 -0.07 1.69 0.25 -2.21 0.00 0.00 174.62 174.36 1x66 h LEU 75 N -2.16 -0.36 -0.43 9.08 5.85 -1.94 0.82 115.31 126.16 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 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.38 1x66 h LEU 75 CO 0.49 -0.19 -0.21 0.22 -0.34 0.00 0.00 178.44 178.40 1x66 h TYR 76 N -0.26 -0.54 -0.47 1.25 5.03 -1.99 0.33 116.97 120.31 1x66 h TYR 76 Ca 0.02 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 1x66 h TYR 76 Cb 0.28 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1x66 h TYR 76 CO -0.15 -0.29 0.08 -0.91 -1.32 0.00 0.00 178.16 175.56 1x66 h ASN 77 N -0.13 0.68 -0.99 -2.11 2.35 -1.86 -2.64 115.58 110.88 1x66 h ASN 77 Ca 0.21 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1x66 h ASN 77 Cb 0.45 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 1x66 h ASN 77 CO -0.51 0.70 0.65 0.74 -1.65 0.00 0.00 177.43 177.36 1x66 h THR 78 N 0.70 1.17 -0.41 2.81 2.02 0.12 -0.44 112.91 118.88 1x66 h THR 78 Ca 0.15 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 1x66 h THR 78 Cb 0.32 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1x66 h THR 78 CO 0.00 0.23 -0.11 -0.33 0.37 0.00 0.00 175.52 175.68 1x66 h GLU 79 N 1.25 0.73 0.19 6.66 5.08 -0.87 -1.30 114.58 126.31 1x66 h GLU 79 Ca 0.40 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1x66 h GLU 79 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x66 h GLU 79 CO -0.13 0.82 -0.09 0.28 -1.00 0.00 0.00 179.01 178.89 1x66 h VAL 80 N 0.66 0.91 0.29 3.13 2.07 -1.18 -1.42 116.25 120.71 1x66 h VAL 80 Ca 0.11 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1x66 h VAL 80 Cb 0.58 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1x66 h VAL 80 CO 0.04 0.18 -0.25 -0.07 0.02 0.00 0.00 177.57 177.49 1x66 h LEU 81 N -0.70 -0.67 -0.62 2.57 3.38 -1.11 0.24 115.31 118.41 1x66 h LEU 81 Ca -0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1x66 h LEU 81 Cb 0.49 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1x66 h LEU 81 CO 0.04 -0.37 0.28 -0.07 0.09 0.00 0.00 178.44 178.41 1x66 h LEU 82 N -0.56 0.34 -0.29 1.67 -0.00 -1.33 0.13 115.31 115.27 1x66 h LEU 82 Ca -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1x66 h LEU 82 Cb 0.50 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1x66 h LEU 82 CO -0.03 0.21 0.11 -1.28 -0.00 0.00 0.00 178.44 177.44 1x66 h SER 83 N 0.50 0.41 0.62 -0.43 0.87 -0.92 0.74 113.55 115.34 1x66 h SER 83 Ca 0.30 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1x66 h SER 83 Cb 0.32 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1x66 h SER 83 CO -0.26 0.48 -0.30 -0.74 -0.53 0.00 0.00 176.83 175.48 1x66 h HIS 84 N 0.32 -0.77 -0.50 2.24 -0.00 0.12 -2.76 115.15 113.79 1x66 h HIS 84 Ca 0.10 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 1x66 h HIS 84 Cb 0.20 0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 1x66 h HIS 84 CO -0.00 -0.47 0.33 1.25 -0.00 0.00 0.00 177.93 179.04 1x66 h LEU 85 N -0.87 0.48 -1.77 0.26 5.85 -0.76 -1.38 115.31 117.12 1x66 h LEU 85 Ca -0.09 -0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.84 1x66 h LEU 85 Cb 0.65 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1x66 h LEU 85 CO 0.14 0.33 0.58 0.28 -0.34 0.00 0.00 178.44 179.43 1x66 h SER 86 N 0.56 0.19 0.00 1.25 0.02 -0.54 0.25 113.55 115.28 1x66 h SER 86 Ca 0.20 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1x66 h SER 86 Cb 0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1x66 h SER 86 CO -0.05 0.08 -0.48 0.22 -1.14 0.00 0.00 176.83 175.46 1x66 h TYR 87 N 0.19 0.00 -0.50 3.45 3.20 -1.21 -3.26 116.97 118.84 1x66 h TYR 87 Ca 0.42 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.43 1x66 h TYR 87 Cb 1.34 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1x66 h TYR 87 CO -0.00 0.70 0.42 -0.07 -1.64 0.00 0.00 178.16 177.57 1x66 h LEU 88 N -1.00 0.00 -0.48 2.82 4.07 -1.15 0.23 115.31 119.80 1x66 h LEU 88 Ca -0.10 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.69 1x66 h LEU 88 Cb 0.76 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1x66 h LEU 88 CO -0.06 0.00 -0.72 0.03 -1.08 0.00 0.00 178.44 176.61 1x66 h ARG 89 N 0.00 0.25 -1.10 1.13 3.08 -0.65 -3.15 114.38 113.94 1x66 h ARG 89 Ca 0.24 -0.21 -0.52 0.00 0.07 0.00 0.00 59.98 59.56 1x66 h ARG 89 Cb 1.08 0.04 -0.25 0.00 0.08 0.00 0.00 29.97 30.93 1x66 h ARG 89 CO -0.00 0.87 0.67 0.39 -1.07 0.00 0.00 179.97 180.83 1x66 n GLU 90 N -3.79 2.29 -4.07 0.04 -0.58 0.80 -4.91 120.64 110.42 1x66 n GLU 90 Ca -0.03 -2.69 -0.11 0.00 -0.42 0.00 0.00 57.16 53.91 1x66 n GLU 90 Cb 0.70 -2.05 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 s SER 91 N -1.12 0.71 -1.38 1.62 0.15 -1.14 -4.85 113.70 107.69 1x66 s SER 91 Ca 0.52 -0.68 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 1x66 s SER 91 Cb 0.42 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1x66 s SER 91 CO 0.03 -0.33 1.06 -1.20 1.20 0.00 0.00 173.24 174.00 1x66 n SER 92 N 1.05 -4.79 -2.03 5.45 7.64 -1.26 -4.46 113.62 115.21 1x66 n SER 92 Ca -0.20 -0.65 -0.00 0.00 1.01 0.00 0.00 58.87 59.03 1x66 n SER 92 Cb 0.57 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1x66 n SER 92 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x66 n SER 93 N -2.99 0.01 -4.08 6.43 3.41 -1.26 -4.83 113.62 110.30 1x66 n SER 93 Ca -0.06 -1.01 -0.23 0.00 -0.26 0.00 0.00 58.87 57.31 1x66 n SER 93 Cb 0.58 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1x66 n SER 93 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x66 s GLY 94 N -2.85 2.43 0.57 5.00 0.00 -1.26 -5.14 107.32 106.05 1x66 s GLY 94 Ca 0.01 -1.48 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1x66 s GLY 94 CO 0.01 -1.76 1.13 2.56 0.00 0.00 0.00 173.10 175.04 1x66 s PRO 95 N -3.74 3.25 -0.54 2.90 0.04 -1.26 -4.28 135.00 131.38 1x66 s PRO 95 Ca 0.28 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 1x66 s PRO 95 Cb 0.04 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1x66 s PRO 95 CO 0.16 -0.93 0.64 0.45 0.04 0.00 0.00 177.00 177.36 1x66 n SER 96 N -1.51 -7.16 -3.01 6.66 2.88 -1.26 -4.91 113.62 105.30 1x66 n SER 96 Ca 0.11 0.14 -0.37 0.00 -1.33 0.00 0.00 58.87 57.42 1x66 n SER 96 Cb 0.51 -4.30 0.02 0.00 -0.75 0.00 0.00 64.21 59.69 1x66 n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x66 n SER 97 N -0.79 6.85 0.00 -3.46 3.41 -1.26 -5.28 113.62 113.09 1x66 n SER 97 Ca 0.01 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1x66 n SER 97 Cb 0.53 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49