#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 n SER 2 N 0.00 1.35 0.21 1.61 2.88 -1.26 -5.06 113.62 113.35 1x47 n SER 2 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x47 n SER 2 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x47 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x47 n SER 3 N -3.81 -3.08 0.00 -3.46 2.88 -1.26 -5.12 113.62 99.77 1x47 n SER 3 Ca -0.06 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1x47 n SER 3 Cb 0.22 2.93 0.00 0.00 -0.75 0.00 0.00 64.21 66.60 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x47 n GLY 4 N -0.66 1.23 3.54 0.46 0.00 -1.26 -4.94 105.19 103.56 1x47 n GLY 4 Ca 0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1x47 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x47 s SER 5 N -4.00 6.04 0.24 1.61 0.15 -1.26 -4.85 113.70 111.63 1x47 s SER 5 Ca 0.00 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1x47 s SER 5 Cb 0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1x47 s SER 5 CO 0.00 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.00 1x47 n SER 6 N 5.09 -0.01 -1.60 5.45 2.88 -1.26 -5.15 113.62 119.03 1x47 n SER 6 Ca -0.13 0.40 -0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1x47 n SER 6 Cb 0.50 0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 64.24 1x47 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x47 n GLY 7 N 1.78 -4.13 3.18 0.46 0.00 -1.26 -5.09 105.19 100.13 1x47 n GLY 7 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1x47 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x47 s GLU 8 N -1.39 0.86 -0.09 1.61 2.12 -1.26 -5.15 118.70 115.41 1x47 s GLU 8 Ca -0.00 -1.21 -0.00 0.00 0.36 0.00 0.00 54.97 54.11 1x47 s GLU 8 Cb 0.00 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 33.92 1x47 s GLU 8 CO 0.01 0.07 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.67 1x47 s PHE 9 N -2.70 1.25 -0.21 5.30 0.08 -1.26 -5.11 117.98 115.33 1x47 s PHE 9 Ca 0.07 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.59 1x47 s PHE 9 Cb -0.01 -1.07 0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1x47 s PHE 9 CO -0.01 -0.41 -0.14 0.08 -0.10 0.00 0.00 175.22 174.64 1x47 s VAL 10 N 1.52 1.95 0.29 -0.44 1.01 -1.26 -5.10 120.40 118.37 1x47 s VAL 10 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 1x47 s VAL 10 Cb -0.13 -1.92 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 1x47 s VAL 10 CO -0.05 0.26 1.60 2.30 0.00 0.00 0.00 175.10 179.21 1x47 n ILE 11 N 4.59 1.03 -1.71 2.22 -5.35 -1.26 -4.91 119.36 113.97 1x47 n ILE 11 Ca -0.17 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 1x47 n ILE 11 Cb 0.47 -1.98 0.02 0.00 -1.74 0.00 0.00 39.64 36.41 1x47 n ILE 11 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1x47 n ASN 12 N 2.16 2.56 -2.93 7.28 6.94 -1.26 -4.80 115.26 125.21 1x47 n ASN 12 Ca 0.08 1.09 -0.24 0.00 -0.02 0.00 0.00 54.58 55.50 1x47 n ASN 12 Cb 0.37 -1.51 -0.05 0.00 -2.36 0.00 0.00 39.78 36.23 1x47 n ASN 12 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1x47 n PRO 13 N -0.08 2.43 -1.59 -0.53 -0.04 -1.26 -4.81 135.00 129.12 1x47 n PRO 13 Ca 0.07 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1x47 n PRO 13 Cb 0.40 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1x47 n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x47 n ASN 14 N 3.57 -8.59 0.00 3.54 4.13 -1.26 -4.99 115.26 111.66 1x47 n ASN 14 Ca 0.52 1.49 0.00 0.00 1.68 0.00 0.00 54.58 58.27 1x47 n ASN 14 Cb 0.32 -4.94 0.00 0.00 -1.54 0.00 0.00 39.78 33.61 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x47 n GLY 15 N -1.53 -2.16 3.60 7.41 0.00 -1.26 -4.96 105.19 106.28 1x47 n GLY 15 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 1x47 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x47 s LYS 16 N -0.22 2.15 0.35 1.61 0.00 -1.26 -4.98 119.74 117.39 1x47 s LYS 16 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 55.97 54.57 1x47 s LYS 16 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 37.83 35.72 1x47 s LYS 16 CO 0.00 0.38 0.02 0.45 0.00 0.00 0.00 175.35 176.21 1x47 n SER 17 N -0.55 2.92 0.24 0.03 2.88 -1.26 -4.95 113.62 112.93 1x47 n SER 17 Ca -0.08 -2.52 0.07 0.00 -1.33 0.00 0.00 58.87 55.02 1x47 n SER 17 Cb 0.58 0.23 0.58 0.00 -0.75 0.00 0.00 64.21 64.84 1x47 n SER 17 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1x47 h GLU 18 N 0.00 0.00 -0.06 -1.46 4.57 -1.96 0.47 114.58 116.14 1x47 h GLU 18 Ca -0.29 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.76 1x47 h GLU 18 Cb 0.88 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1x47 h GLU 18 CO 0.47 0.12 -0.55 -0.39 -1.18 0.00 0.00 179.01 177.48 1x47 h VAL 19 N 0.00 1.38 0.10 0.32 -1.51 -1.87 0.13 116.25 114.80 1x47 h VAL 19 Ca -0.00 -1.87 -0.14 0.00 -1.23 0.00 0.00 66.70 63.45 1x47 h VAL 19 Cb 0.21 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1x47 h VAL 19 CO 0.02 0.55 -0.65 0.00 -1.23 0.00 0.00 177.57 176.26 1x47 h ILE 21 N -0.56 0.15 -0.91 0.00 2.04 -0.10 0.82 117.51 118.95 1x47 h ILE 21 Ca -0.12 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.94 1x47 h ILE 21 Cb 1.46 0.15 -0.17 0.00 -0.74 0.00 0.00 36.82 37.52 1x47 h ILE 21 CO 0.09 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.34 1x47 h LEU 22 N -1.00 -0.71 0.38 1.44 7.12 -0.88 0.41 115.31 122.07 1x47 h LEU 22 Ca -0.08 0.27 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1x47 h LEU 22 Cb 0.82 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1x47 h LEU 22 CO 0.05 -0.30 -0.22 -0.74 -0.13 0.00 0.00 178.44 177.10 1x47 h HIS 23 N 0.01 -0.58 0.00 1.25 2.76 -1.37 -0.84 115.15 116.38 1x47 h HIS 23 Ca 0.47 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 1x47 h HIS 23 Cb 0.79 0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1x47 h HIS 23 CO -0.63 -0.35 0.00 0.39 -1.30 0.00 0.00 177.93 176.04 1x47 n GLU 24 N -5.35 0.00 -0.28 5.26 -0.58 0.13 0.80 120.64 120.62 1x47 n GLU 24 Ca -0.10 0.88 0.09 0.00 -0.42 0.00 0.00 57.16 57.61 1x47 n GLU 24 Cb 0.26 -1.46 0.22 0.00 -0.57 0.00 0.00 31.44 29.90 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1x47 h TYR 25 N 0.00 0.13 0.61 -0.32 5.03 -1.17 0.65 116.97 121.89 1x47 h TYR 25 Ca 0.00 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1x47 h TYR 25 Cb 0.00 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1x47 h TYR 25 CO -0.70 -0.23 -0.50 0.52 -1.32 0.00 0.00 178.16 175.93 1x47 h MET 26 N 0.15 -1.03 0.00 1.82 2.86 0.48 0.97 114.93 120.18 1x47 h MET 26 Ca 0.48 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.19 1x47 h MET 26 Cb 0.92 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1x47 h MET 26 CO -0.67 -0.69 0.00 0.94 1.06 0.00 0.00 176.91 177.55 1x47 n GLN 27 N -5.51 0.12 -0.09 1.72 7.27 0.24 0.22 117.38 121.35 1x47 n GLN 27 Ca -0.13 0.22 -0.23 0.00 0.07 0.00 0.00 57.00 56.93 1x47 n GLN 27 Cb 0.47 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.50 1x47 n GLN 27 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1x47 n ARG 28 N -1.33 0.61 -0.11 3.69 0.63 0.21 -3.49 116.66 116.87 1x47 n ARG 28 Ca 0.04 0.44 -0.20 0.00 -0.92 0.00 0.00 57.85 57.22 1x47 n ARG 28 Cb 0.09 -1.69 -0.08 0.00 0.45 0.00 0.00 32.46 31.24 1x47 n ARG 28 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1x47 n VAL 29 N -4.14 1.51 -0.03 5.15 0.24 0.32 -4.58 118.33 116.79 1x47 n VAL 29 Ca -0.37 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 1x47 n VAL 29 Cb 0.81 -2.09 -0.10 0.00 -1.47 0.00 0.00 33.84 30.98 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x47 h LEU 30 N -1.00 0.06 -0.83 1.34 3.38 0.25 -3.48 115.31 115.02 1x47 h LEU 30 Ca -0.36 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 56.99 1x47 h LEU 30 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1x47 h LEU 30 CO -0.22 0.66 0.00 1.17 0.09 0.00 0.00 178.44 180.14 1x47 n LYS 31 N -4.75 0.00 -3.76 1.13 4.81 0.51 -4.92 118.16 111.19 1x47 n LYS 31 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.22 1x47 n LYS 31 Cb 0.33 -2.07 -0.10 0.00 0.02 0.00 0.00 35.03 33.21 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x47 s VAL 32 N -2.83 0.03 -0.15 3.15 -7.23 -1.25 -4.88 120.40 107.24 1x47 s VAL 32 Ca 0.00 -0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 1x47 s VAL 32 Cb 0.00 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1x47 s VAL 32 CO 0.00 -0.14 0.81 -0.60 -0.31 0.00 0.00 175.10 174.86 1x47 s ARG 33 N -0.64 4.32 0.52 4.82 3.52 -1.26 -3.57 118.95 126.66 1x47 s ARG 33 Ca -0.07 0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 56.33 1x47 s ARG 33 Cb -0.04 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 1x47 s ARG 33 CO 0.03 -0.26 1.04 -1.25 -0.81 0.00 0.00 175.30 174.05 1x47 s PRO 34 N 1.91 3.66 -0.15 5.12 0.04 -1.26 -4.63 135.00 139.68 1x47 s PRO 34 Ca 0.38 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1x47 s PRO 34 Cb -0.17 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1x47 s PRO 34 CO 0.14 -0.54 -0.07 0.08 0.04 0.00 0.00 177.00 176.65 1x47 s VAL 35 N -2.15 3.50 -0.61 -0.36 1.01 0.56 -4.97 120.40 117.38 1x47 s VAL 35 Ca 0.66 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1x47 s VAL 35 Cb -0.16 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1x47 s VAL 35 CO 0.25 0.50 0.94 -0.31 0.00 0.00 0.00 175.10 176.48 1x47 s TYR 36 N 0.50 2.73 -0.22 5.22 2.02 -1.26 0.24 117.35 126.58 1x47 s TYR 36 Ca -0.06 -0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.13 1x47 s TYR 36 Cb -0.15 -4.17 -0.03 0.00 -0.40 0.00 0.00 41.96 37.21 1x47 s TYR 36 CO 0.03 -1.51 0.54 -0.80 -1.57 0.00 0.00 175.55 172.25 1x47 s ASN 37 N 3.29 6.54 0.04 2.29 0.01 0.90 -4.89 114.94 123.12 1x47 s ASN 37 Ca 0.25 0.65 0.01 0.00 -0.71 0.00 0.00 52.86 53.06 1x47 s ASN 37 Cb -0.15 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1x47 s ASN 37 CO 0.14 -0.24 0.10 -0.36 -1.51 0.00 0.00 177.10 175.22 1x47 s PHE 38 N 1.96 3.28 0.36 2.20 0.08 -1.26 0.19 117.98 124.79 1x47 s PHE 38 Ca 0.24 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.43 1x47 s PHE 38 Cb -0.16 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1x47 s PHE 38 CO 0.09 0.55 0.51 1.97 -0.10 0.00 0.00 175.22 178.24 1x47 n PHE 39 N 0.79 -1.51 -3.94 0.36 -1.74 -0.96 -4.96 117.46 105.50 1x47 n PHE 39 Ca -0.10 -2.33 -0.36 0.00 -0.56 0.00 0.00 57.45 54.10 1x47 n PHE 39 Cb 0.52 0.58 -0.06 0.00 1.52 0.00 0.00 39.48 42.04 1x47 n PHE 39 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1x47 s GLU 40 N -2.76 3.38 0.20 3.97 2.02 -1.26 -3.53 118.70 120.72 1x47 s GLU 40 Ca 0.28 -0.19 -0.07 0.00 0.02 0.00 0.00 54.97 55.01 1x47 s GLU 40 Cb -0.01 -3.13 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1x47 s GLU 40 CO 0.20 0.76 0.47 0.00 0.02 0.00 0.00 175.26 176.71 1x47 h GLU 42 N 2.54 0.64 -6.83 0.00 4.22 -1.93 -3.45 114.58 109.77 1x47 h GLU 42 Ca -0.47 -0.80 -0.49 0.00 0.08 0.00 0.00 59.36 57.68 1x47 h GLU 42 Cb 1.17 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x47 h GLU 42 CO 0.70 1.36 0.42 1.21 -2.18 0.00 0.00 179.01 180.52 1x47 s ASN 43 N -7.38 7.28 0.33 1.04 2.47 -1.26 -4.94 114.94 112.48 1x47 s ASN 43 Ca -0.09 2.10 0.17 0.00 0.42 0.00 0.00 52.86 55.45 1x47 s ASN 43 Cb 0.06 -2.61 0.45 0.00 -1.45 0.00 0.00 41.25 37.70 1x47 s ASN 43 CO 0.93 -0.12 1.62 1.55 -3.72 0.00 0.00 177.10 177.36 1x47 h PRO 44 N 3.58 0.00 -0.36 0.43 0.13 -2.01 -3.31 132.00 130.46 1x47 h PRO 44 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1x47 h PRO 44 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1x47 h PRO 44 CO 0.66 0.44 -0.44 0.77 -0.23 0.00 0.00 178.00 179.20 1x47 h SER 45 N 0.00 -1.48 -3.93 1.44 0.02 -1.98 -3.31 113.55 104.31 1x47 h SER 45 Ca -0.00 0.20 -0.63 0.00 -0.84 0.00 0.00 61.79 60.51 1x47 h SER 45 Cb 1.09 0.61 -0.40 0.00 0.14 0.00 0.00 62.40 63.83 1x47 h SER 45 CO 0.06 -0.30 -0.68 -1.61 -1.14 0.00 0.00 176.83 173.15 1x47 s GLU 46 N -5.05 1.61 0.37 3.45 8.01 -1.25 -4.79 118.70 121.06 1x47 s GLU 46 Ca -0.11 -2.23 0.20 0.00 0.01 0.00 0.00 54.97 52.84 1x47 s GLU 46 Cb 0.07 -2.91 0.55 0.00 -4.31 0.00 0.00 34.13 27.53 1x47 s GLU 46 CO 0.48 -1.09 1.67 -1.00 0.01 0.00 0.00 175.26 175.32 1x47 h PRO 47 N 6.83 0.00 -6.33 0.39 0.13 -1.68 -3.42 132.00 127.92 1x47 h PRO 47 Ca -0.06 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.51 1x47 h PRO 47 Cb 0.93 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 1x47 h PRO 47 CO 0.59 0.34 0.88 -0.06 -0.23 0.00 0.00 178.00 179.52 1x47 s PHE 48 N -3.38 2.59 0.02 1.56 0.40 -1.22 -3.18 117.98 114.76 1x47 s PHE 48 Ca 0.02 0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.61 1x47 s PHE 48 Cb 0.09 -4.43 -0.02 0.00 0.51 0.00 0.00 43.02 39.17 1x47 s PHE 48 CO 0.69 -1.63 -0.21 0.20 0.70 0.00 0.00 175.22 174.97 1x47 s GLY 49 N 3.10 1.11 0.01 4.36 0.00 -1.23 -0.89 107.32 113.77 1x47 s GLY 49 Ca 0.38 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 1x47 s GLY 49 CO 0.21 -0.90 0.04 0.00 0.00 0.00 0.00 173.10 172.45 1x47 s ALA 50 N -0.67 -0.06 0.17 3.20 0.00 -0.47 -2.27 121.76 121.66 1x47 s ALA 50 Ca 0.08 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1x47 s ALA 50 Cb -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1x47 s ALA 50 CO 0.01 -0.15 -0.09 -1.54 0.00 0.00 0.00 175.76 173.99 1x47 s SER 51 N -1.16 1.90 -0.26 0.00 1.04 0.50 -1.47 113.70 114.24 1x47 s SER 51 Ca -0.13 -1.05 -0.04 0.00 0.48 0.00 0.00 55.95 55.22 1x47 s SER 51 Cb -0.08 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1x47 s SER 51 CO -0.00 -0.34 -0.01 -0.69 0.98 0.00 0.00 173.24 173.18 1x47 s VAL 52 N -3.30 3.34 -0.22 5.02 1.01 -0.78 -0.07 120.40 125.41 1x47 s VAL 52 Ca 0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1x47 s VAL 52 Cb 0.03 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1x47 s VAL 52 CO 0.03 0.18 0.00 0.42 0.00 0.00 0.00 175.10 175.73 1x47 s THR 53 N 1.41 3.86 -0.48 3.92 -4.23 0.14 -1.14 115.64 119.11 1x47 s THR 53 Ca 0.02 -0.34 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 1x47 s THR 53 Cb -0.17 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.98 1x47 s THR 53 CO -0.02 0.41 0.45 -0.63 -0.54 0.00 0.00 174.62 174.29 1x47 s ILE 54 N 1.27 5.16 -0.76 2.99 1.01 0.50 -0.32 121.20 131.05 1x47 s ILE 54 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1x47 s ILE 54 Cb -0.15 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1x47 s ILE 54 CO 0.01 -0.64 0.00 -0.67 0.00 0.00 0.00 174.94 173.64 1x47 n ASP 55 N 5.41 -5.42 0.00 3.58 2.03 -1.26 -0.22 116.55 120.67 1x47 n ASP 55 Ca -0.11 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1x47 n ASP 55 Cb 0.44 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x47 n GLY 56 N -0.03 1.55 3.61 0.27 0.00 -1.26 -5.07 105.19 104.27 1x47 n GLY 56 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1x47 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x47 s VAL 57 N -2.13 5.00 0.21 1.61 1.01 0.70 -4.96 120.40 121.83 1x47 s VAL 57 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1x47 s VAL 57 Cb 0.00 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1x47 s VAL 57 CO 0.00 -0.00 1.20 -0.89 0.00 0.00 0.00 175.10 175.40 1x47 s THR 58 N 2.46 3.49 0.00 3.92 2.01 -1.26 0.19 115.64 126.45 1x47 s THR 58 Ca 0.24 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1x47 s THR 58 Cb -0.15 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1x47 s THR 58 CO 0.10 0.22 0.00 -1.22 -0.69 0.00 0.00 174.62 173.03 1x47 n TYR 59 N 2.25 0.00 -4.51 4.92 4.02 -0.29 -4.90 117.16 118.66 1x47 n TYR 59 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 1x47 n TYR 59 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.63 1x47 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x47 s GLY 60 N -1.57 1.60 0.08 2.72 0.00 -1.26 -4.80 107.32 104.09 1x47 s GLY 60 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1x47 s GLY 60 CO 0.00 -0.04 -0.06 -0.56 0.00 0.00 0.00 173.10 172.44 1x47 s SER 61 N 0.57 0.97 0.09 1.64 0.01 -1.26 -1.86 113.70 113.87 1x47 s SER 61 Ca -0.06 -0.97 -0.27 0.00 1.31 0.00 0.00 55.95 55.96 1x47 s SER 61 Cb -0.15 0.11 0.09 0.00 0.21 0.00 0.00 66.02 66.28 1x47 s SER 61 CO 0.03 -0.48 1.10 -0.83 0.41 0.00 0.00 173.24 173.47 1x47 s GLY 62 N -2.92 -0.25 0.35 3.44 0.00 -0.54 -4.71 107.32 102.70 1x47 s GLY 62 Ca 0.09 0.26 0.04 0.00 0.00 0.00 0.00 44.72 45.11 1x47 s GLY 62 CO -0.06 0.52 0.07 -0.51 0.00 0.00 0.00 173.10 173.12 1x47 s THR 63 N -2.81 1.12 0.17 0.90 -4.23 -1.26 -1.37 115.64 108.16 1x47 s THR 63 Ca 0.15 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.48 1x47 s THR 63 Cb 0.01 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1x47 s THR 63 CO 0.00 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.96 1x47 n ALA 64 N -0.77 -2.25 0.16 3.99 0.00 -0.07 -4.63 120.51 116.94 1x47 n ALA 64 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.52 1x47 n ALA 64 Cb 0.66 0.53 0.22 0.00 0.00 0.00 0.00 19.45 20.86 1x47 n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x47 h SER 65 N 1.70 0.00 -0.79 0.00 0.02 -1.87 -3.24 113.55 109.38 1x47 h SER 65 Ca -0.24 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.08 1x47 h SER 65 Cb 1.04 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.47 1x47 h SER 65 CO 0.32 0.51 -0.48 -0.44 -1.14 0.00 0.00 176.83 175.60 1x47 s SER 66 N -6.60 4.25 -0.13 3.07 0.01 -1.26 -4.70 113.70 108.34 1x47 s SER 66 Ca -0.00 -1.43 -0.26 0.00 1.31 0.00 0.00 55.95 55.57 1x47 s SER 66 Cb 0.11 0.20 -0.23 0.00 0.21 0.00 0.00 66.02 66.32 1x47 s SER 66 CO 0.73 -0.80 0.71 0.50 0.41 0.00 0.00 173.24 174.79 1x47 h LYS 67 N 1.29 -0.00 -0.37 12.44 3.64 -1.88 -3.18 116.57 128.50 1x47 h LYS 67 Ca -0.42 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1x47 h LYS 67 Cb 1.29 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 1x47 h LYS 67 CO 0.71 0.86 -0.39 -0.22 -2.27 0.00 0.00 179.45 178.13 1x47 h LYS 68 N -0.98 -0.31 -0.66 1.90 3.64 -1.98 0.78 116.57 118.97 1x47 h LYS 68 Ca -0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1x47 h LYS 68 Cb 0.86 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.63 1x47 h LYS 68 CO 0.00 -0.20 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.57 1x47 h LEU 69 N -0.32 -1.17 -0.05 5.20 -0.00 -1.98 1.56 115.31 118.55 1x47 h LEU 69 Ca 0.14 0.24 0.04 0.00 -0.00 0.00 0.00 57.88 58.30 1x47 h LEU 69 Cb 0.57 0.60 -0.06 0.00 -0.00 0.00 0.00 40.66 41.77 1x47 h LEU 69 CO -0.54 -0.30 -0.39 0.00 -0.00 0.00 0.00 178.44 177.21 1x47 h ALA 70 N 1.10 -0.56 -0.99 1.53 0.00 -0.97 1.21 119.26 120.58 1x47 h ALA 70 Ca 0.26 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1x47 h ALA 70 Cb 0.56 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1x47 h ALA 70 CO -0.73 -0.90 0.64 -0.22 0.00 0.00 0.00 179.25 178.04 1x47 h LYS 71 N -0.51 1.07 0.19 0.00 3.64 0.13 1.12 116.57 122.21 1x47 h LYS 71 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1x47 h LYS 71 Cb 0.61 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1x47 h LYS 71 CO -0.33 0.71 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.49 1x47 h ASN 72 N 1.10 -0.22 -0.20 4.20 -0.73 0.42 0.95 115.58 121.10 1x47 h ASN 72 Ca 0.45 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.53 1x47 h ASN 72 Cb 0.28 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1x47 h ASN 72 CO -0.20 -0.05 0.11 0.11 -0.37 0.00 0.00 177.43 177.03 1x47 h LYS 73 N -0.38 0.27 -0.39 6.67 1.57 0.23 1.12 116.57 125.66 1x47 h LYS 73 Ca -0.03 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1x47 h LYS 73 Cb 0.29 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1x47 h LYS 73 CO 0.04 0.27 -0.17 0.00 -0.57 0.00 0.00 179.45 179.02 1x47 h ALA 74 N 0.99 0.14 -0.18 3.86 0.00 0.14 1.40 119.26 125.62 1x47 h ALA 74 Ca 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 74 Cb 0.07 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1x47 h ALA 74 CO -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 179.25 178.65 1x47 h ALA 75 N 1.21 0.25 -0.67 0.00 0.00 -0.48 -2.01 119.26 117.56 1x47 h ALA 75 Ca 0.19 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1x47 h ALA 75 Cb 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1x47 h ALA 75 CO -0.46 0.03 0.45 -0.09 0.00 0.00 0.00 179.25 179.19 1x47 h ARG 76 N 0.06 0.45 0.34 0.00 2.43 0.24 -0.57 114.38 117.33 1x47 h ARG 76 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1x47 h ARG 76 Cb 0.50 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1x47 h ARG 76 CO 0.02 0.30 -0.16 0.00 -1.51 0.00 0.00 179.97 178.62 1x47 h ALA 77 N 1.67 -0.75 -0.89 2.80 0.00 0.22 -2.72 119.26 119.58 1x47 h ALA 77 Ca 0.32 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.32 1x47 h ALA 77 Cb 0.61 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 1x47 h ALA 77 CO -0.10 -0.71 -0.16 1.15 0.00 0.00 0.00 179.25 179.43 1x47 h THR 78 N -0.65 0.12 -0.53 0.00 2.02 -1.04 0.66 112.91 113.49 1x47 h THR 78 Ca -0.05 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 1x47 h THR 78 Cb 0.35 0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 1x47 h THR 78 CO 0.08 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.73 1x47 h LEU 79 N 0.01 -0.60 -0.23 2.58 3.38 -1.13 0.30 115.31 119.62 1x47 h LEU 79 Ca 0.45 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.62 1x47 h LEU 79 Cb 0.75 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1x47 h LEU 79 CO -0.89 -0.21 0.06 -0.33 0.09 0.00 0.00 178.44 177.17 1x47 h GLU 80 N -0.04 0.15 -0.82 1.13 5.08 0.58 1.21 114.58 121.87 1x47 h GLU 80 Ca 0.25 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 1x47 h GLU 80 Cb 0.43 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.51 1x47 h GLU 80 CO -0.57 0.10 0.15 0.82 -1.00 0.00 0.00 179.01 178.51 1x47 h ILE 81 N 0.16 0.35 0.00 3.13 2.04 0.67 -3.02 117.51 120.84 1x47 h ILE 81 Ca 0.10 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1x47 h ILE 81 Cb 0.09 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1x47 h ILE 81 CO -0.12 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.24 1x47 n LEU 82 N -5.26 0.09 -4.62 1.44 4.77 -0.49 -4.73 117.00 108.20 1x47 n LEU 82 Ca 0.18 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.21 1x47 n LEU 82 Cb 0.58 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1x47 n LEU 82 CO 0.07 -0.48 1.23 -0.63 -1.33 0.00 0.00 177.39 176.24 1x47 s ILE 83 N -0.98 3.96 -0.04 -0.08 1.01 0.41 -4.86 121.20 120.61 1x47 s ILE 83 Ca 0.00 1.07 0.22 0.00 0.00 0.00 0.00 60.65 61.94 1x47 s ILE 83 Cb 0.00 -4.02 0.22 0.00 0.01 0.00 0.00 42.46 38.67 1x47 s ILE 83 CO 0.00 -0.46 1.70 1.55 0.00 0.00 0.00 174.94 177.73 1x47 h PRO 84 N 10.01 0.00 -2.43 2.79 0.13 -1.83 -3.36 132.00 137.31 1x47 h PRO 84 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 1x47 h PRO 84 Cb 1.12 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.86 1x47 h PRO 84 CO 1.03 0.24 -0.92 -0.25 -0.23 0.00 0.00 178.00 177.87 1x47 n ASP 85 N -3.27 0.30 -0.09 1.44 9.92 -1.26 -4.93 116.55 118.66 1x47 n ASP 85 Ca 0.01 -2.58 -0.23 0.00 -0.53 0.00 0.00 54.79 51.46 1x47 n ASP 85 Cb 0.52 -0.60 -0.12 0.00 -0.64 0.00 0.00 41.12 40.28 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1x47 n PHE 86 N 2.45 0.52 -4.47 1.24 7.35 -1.26 -5.03 117.46 118.26 1x47 n PHE 86 Ca 0.27 0.16 -0.25 0.00 -0.76 0.00 0.00 57.45 56.87 1x47 n PHE 86 Cb 0.46 -1.06 -0.08 0.00 0.35 0.00 0.00 39.48 39.15 1x47 n PHE 86 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x47 s VAL 87 N -2.49 0.39 -0.93 -2.13 -7.23 -1.26 -5.09 120.40 101.66 1x47 s VAL 87 Ca -0.32 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 57.78 1x47 s VAL 87 Cb 0.09 -2.33 0.23 0.00 0.56 0.00 0.00 36.38 34.93 1x47 s VAL 87 CO 0.61 0.00 0.86 -0.54 -0.31 0.00 0.00 175.10 175.72 1x47 s LYS 88 N -3.61 3.62 -0.31 4.82 1.02 -1.26 -4.86 119.74 119.17 1x47 s LYS 88 Ca 0.26 -2.96 -0.13 0.00 0.02 0.00 0.00 55.97 53.16 1x47 s LYS 88 Cb 0.02 -4.27 0.19 0.00 -0.52 0.00 0.00 37.83 33.24 1x47 s LYS 88 CO 0.18 -1.25 1.12 -1.14 -0.92 0.00 0.00 175.35 173.34 1x47 s GLN 89 N -0.79 0.08 0.31 1.68 0.74 -1.26 -5.17 119.66 115.25 1x47 s GLN 89 Ca 0.25 0.02 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1x47 s GLN 89 Cb -0.11 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.00 1x47 s GLN 89 CO -0.09 -0.12 0.48 -0.08 -0.55 0.00 0.00 175.29 174.93 1x47 s THR 90 N 2.48 5.00 0.24 -0.34 -1.32 -1.26 -5.12 115.64 115.32 1x47 s THR 90 Ca 0.23 -0.71 -0.03 0.00 -1.21 0.00 0.00 61.69 59.96 1x47 s THR 90 Cb 0.02 -3.80 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1x47 s THR 90 CO -0.19 -0.42 0.28 -0.44 -2.21 0.00 0.00 174.62 171.63 1x47 s SER 91 N -4.04 0.36 0.32 8.08 0.01 -1.26 -5.18 113.70 111.99 1x47 s SER 91 Ca 0.39 -1.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1x47 s SER 91 Cb -0.09 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.63 1x47 s SER 91 CO 0.33 -1.00 0.53 -1.61 0.41 0.00 0.00 173.24 171.91 1x47 s GLU 92 N -3.91 1.85 0.18 12.44 0.41 -1.26 -5.11 118.70 123.31 1x47 s GLU 92 Ca 0.34 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 1x47 s GLU 92 Cb 0.04 0.49 0.00 0.00 -1.78 0.00 0.00 34.13 32.87 1x47 s GLU 92 CO 0.14 -0.79 0.00 0.43 -0.49 0.00 0.00 175.26 174.55 1x47 n SER 93 N -1.06 -7.95 0.00 -0.19 7.64 -1.26 -5.06 113.62 105.75 1x47 n SER 93 Ca -0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x47 n SER 93 Cb 0.61 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 1x47 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 94 N 1.60 0.73 2.34 0.23 0.00 -1.26 -5.00 105.19 103.84 1x47 n GLY 94 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1x47 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x47 n PRO 95 N 0.00 2.30 -2.84 1.61 -0.04 -1.26 -4.56 135.00 130.21 1x47 n PRO 95 Ca 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 63.50 62.00 1x47 n PRO 95 Cb 0.00 -2.32 0.01 0.00 -0.04 0.00 0.00 33.50 31.14 1x47 n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x47 n SER 96 N 3.43 -7.94 -4.15 3.54 7.64 -1.26 -4.97 113.62 109.91 1x47 n SER 96 Ca 0.49 0.70 -0.38 0.00 1.01 0.00 0.00 58.87 60.70 1x47 n SER 96 Cb 0.37 -5.32 -0.10 0.00 -1.01 0.00 0.00 64.21 58.15 1x47 n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x47 s SER 97 N -2.40 5.41 0.00 6.43 0.15 -1.26 -5.29 113.70 116.74 1x47 s SER 97 Ca 0.20 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.78 1x47 s SER 97 Cb -0.06 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1x47 s SER 97 CO 0.77 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.25