#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 s SER 2 N 0.00 -0.51 -0.14 1.61 0.15 -1.26 -5.04 113.70 108.51 1x47 s SER 2 Ca 0.00 0.91 -0.08 0.00 0.70 0.00 0.00 55.95 57.49 1x47 s SER 2 Cb 0.00 0.85 0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1x47 s SER 2 CO 0.00 -0.18 0.15 -1.20 1.20 0.00 0.00 173.24 173.21 1x47 n SER 3 N 3.61 -3.33 -0.66 5.45 7.64 -1.26 -4.79 113.62 120.28 1x47 n SER 3 Ca -0.19 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1x47 n SER 3 Cb 0.56 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 4 N 1.83 -0.74 1.24 0.23 0.00 -1.26 -5.03 105.19 101.47 1x47 n GLY 4 Ca -0.25 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1x47 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x47 n SER 5 N -2.42 -6.71 -1.16 1.61 2.88 -1.26 -4.83 113.62 101.73 1x47 n SER 5 Ca 0.00 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 59.02 1x47 n SER 5 Cb 0.00 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1x47 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x47 n SER 6 N -2.34 -6.46 -0.76 -3.46 7.64 -1.26 -4.79 113.62 102.20 1x47 n SER 6 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1x47 n SER 6 Cb 0.37 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.27 1x47 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 7 N -1.31 -1.52 2.90 0.23 0.00 -1.26 -5.06 105.19 99.15 1x47 n GLY 7 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.05 0.89 0.03 1.61 2.56 -1.26 -5.14 118.70 117.33 1x47 s GLU 8 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.97 54.76 1x47 s GLU 8 Cb 0.00 -0.90 0.00 0.00 2.00 0.00 0.00 34.13 35.24 1x47 s GLU 8 CO 0.00 -0.09 0.19 -0.59 -0.56 0.00 0.00 175.26 174.21 1x47 s PHE 9 N 0.97 0.04 -0.28 5.30 -0.71 -1.26 -5.15 117.98 116.88 1x47 s PHE 9 Ca -0.10 -0.21 -0.17 0.00 -1.04 0.00 0.00 56.93 55.41 1x47 s PHE 9 Cb -0.14 -0.03 0.10 0.00 -1.21 0.00 0.00 43.02 41.74 1x47 s PHE 9 CO -0.00 -0.40 0.79 0.54 -1.34 0.00 0.00 175.22 174.81 1x47 s VAL 10 N -2.23 0.00 -0.01 -2.49 0.11 -1.26 -5.16 120.40 109.35 1x47 s VAL 10 Ca -0.08 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1x47 s VAL 10 Cb -0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1x47 s VAL 10 CO -0.02 0.00 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.02 1x47 s ILE 11 N 1.37 0.80 0.00 7.04 1.01 -1.26 -4.90 121.20 125.26 1x47 s ILE 11 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1x47 s ILE 11 Cb -0.05 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1x47 s ILE 11 CO -0.16 0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.60 1x47 n ASN 12 N 3.00 0.00 -4.55 3.58 4.13 -1.26 -5.08 115.26 115.07 1x47 n ASN 12 Ca -0.15 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.73 1x47 n ASN 12 Cb 0.56 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.76 1x47 n ASN 12 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x47 s PRO 13 N 0.00 2.97 0.85 3.52 0.04 -1.26 -4.97 135.00 136.15 1x47 s PRO 13 Ca 0.00 -0.12 -0.14 0.00 0.04 0.00 0.00 61.00 60.78 1x47 s PRO 13 Cb 0.00 -4.59 -0.01 0.00 0.04 0.00 0.00 34.50 29.94 1x47 s PRO 13 CO 0.00 -2.55 0.38 -1.71 0.04 0.00 0.00 177.00 173.16 1x47 n ASN 14 N 11.14 -1.98 0.00 6.66 5.15 -1.26 -4.84 115.26 130.13 1x47 n ASN 14 Ca 0.20 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 1x47 n ASN 14 Cb 0.50 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x47 n GLY 15 N 1.70 1.67 3.70 8.20 0.00 -1.26 -5.07 105.19 114.12 1x47 n GLY 15 Ca 0.08 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.66 4.46 0.37 1.61 -2.85 -1.26 -5.04 119.74 116.38 1x47 s LYS 16 Ca 0.00 1.33 0.08 0.00 -1.00 0.00 0.00 55.97 56.38 1x47 s LYS 16 Cb 0.00 -3.51 -0.05 0.00 -2.06 0.00 0.00 37.83 32.21 1x47 s LYS 16 CO 0.00 -0.19 0.11 -1.12 0.10 0.00 0.00 175.35 174.25 1x47 s SER 17 N 1.05 4.38 0.19 0.03 0.01 -1.26 -4.90 113.70 113.19 1x47 s SER 17 Ca 0.48 -1.00 -0.26 0.00 1.31 0.00 0.00 55.95 56.48 1x47 s SER 17 Cb -0.19 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.54 1x47 s SER 17 CO 0.21 -0.39 1.54 -0.08 0.41 0.00 0.00 173.24 174.94 1x47 h GLU 18 N 1.59 -0.01 -0.92 12.44 4.57 -1.96 0.92 114.58 131.21 1x47 h GLU 18 Ca -0.43 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 57.96 1x47 h GLU 18 Cb 1.25 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.67 1x47 h GLU 18 CO 0.68 -0.00 -0.12 -0.39 -1.18 0.00 0.00 179.01 177.99 1x47 h VAL 19 N -0.01 0.10 0.39 0.32 -1.51 -1.87 1.22 116.25 114.90 1x47 h VAL 19 Ca 0.23 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.67 1x47 h VAL 19 Cb 0.48 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 1x47 h VAL 19 CO -0.95 0.00 -0.19 0.00 -1.23 0.00 0.00 177.57 175.20 1x47 n ILE 21 N -3.76 -0.45 -0.35 0.00 5.41 0.11 0.11 119.36 120.44 1x47 n ILE 21 Ca -0.06 2.10 0.12 0.00 1.00 0.00 0.00 62.75 65.90 1x47 n ILE 21 Cb 0.21 -2.64 0.24 0.00 -0.71 0.00 0.00 39.64 36.74 1x47 n ILE 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1x47 h LEU 22 N 0.00 -0.62 0.58 1.39 7.12 0.14 0.57 115.31 124.48 1x47 h LEU 22 Ca 0.11 0.29 -0.03 0.00 0.13 0.00 0.00 57.88 58.37 1x47 h LEU 22 Cb 0.27 0.53 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1x47 h LEU 22 CO -0.62 -0.35 -0.28 -0.74 -0.13 0.00 0.00 178.44 176.32 1x47 h HIS 23 N 0.01 -0.74 0.00 1.25 2.76 0.15 0.37 115.15 118.95 1x47 h HIS 23 Ca 0.56 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1x47 h HIS 23 Cb 1.08 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1x47 h HIS 23 CO -0.58 -0.45 0.00 0.39 -1.30 0.00 0.00 177.93 175.99 1x47 n GLU 24 N -5.43 0.00 -0.33 5.26 4.71 0.18 0.17 120.64 125.20 1x47 n GLU 24 Ca -0.13 0.80 0.19 0.00 -0.01 0.00 0.00 57.16 58.02 1x47 n GLU 24 Cb 0.32 -1.42 0.40 0.00 -1.01 0.00 0.00 31.44 29.74 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 1x47 h TYR 25 N 0.00 0.87 0.59 -0.32 5.03 -1.13 0.95 116.97 122.96 1x47 h TYR 25 Ca 0.00 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1x47 h TYR 25 Cb 0.00 -0.23 0.01 0.00 1.55 0.00 0.00 36.73 38.06 1x47 h TYR 25 CO -0.55 -0.08 -0.29 0.52 -1.32 0.00 0.00 178.16 176.44 1x47 h MET 26 N 0.41 -0.77 0.00 1.82 2.86 0.10 0.64 114.93 119.99 1x47 h MET 26 Ca 0.66 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1x47 h MET 26 Cb 1.39 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.22 1x47 h MET 26 CO -0.56 -0.47 0.00 0.94 1.06 0.00 0.00 176.91 177.89 1x47 n GLN 27 N -5.38 0.27 -0.11 1.72 7.27 0.45 0.20 117.38 121.81 1x47 n GLN 27 Ca -0.12 0.11 -0.24 0.00 0.07 0.00 0.00 57.00 56.82 1x47 n GLN 27 Cb 0.34 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.38 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 -1.25 0.61 -0.13 3.69 0.63 0.31 -3.48 116.66 117.04 1x47 n ARG 28 Ca 0.08 0.38 -0.26 0.00 -0.92 0.00 0.00 57.85 57.13 1x47 n ARG 28 Cb 0.12 -1.62 -0.09 0.00 0.45 0.00 0.00 32.46 31.32 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 1.53 0.64 5.15 0.24 0.22 -4.34 118.33 117.63 1x47 n VAL 29 Ca -0.42 -0.27 0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1x47 n VAL 29 Cb 0.83 -1.96 0.45 0.00 -1.47 0.00 0.00 33.84 31.69 1x47 n VAL 29 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1x47 n LEU 30 N -4.31 0.63 -3.96 1.34 4.77 0.55 -4.89 117.00 111.13 1x47 n LEU 30 Ca -0.47 0.58 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1x47 n LEU 30 Cb 0.81 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1x47 n LEU 30 CO 0.07 -0.22 -0.31 2.29 -1.33 0.00 0.00 177.39 177.89 1x47 n LYS 31 N -2.11 -0.90 -4.01 3.23 -0.00 0.53 -4.84 118.16 110.08 1x47 n LYS 31 Ca 0.05 0.08 -0.08 0.00 -0.00 0.00 0.00 58.31 58.36 1x47 n LYS 31 Cb 0.37 -3.16 -0.10 0.00 -0.00 0.00 0.00 35.03 32.14 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x47 s VAL 32 N -3.73 0.16 -0.38 0.58 -7.23 -1.22 -4.91 120.40 103.66 1x47 s VAL 32 Ca 0.20 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 58.89 1x47 s VAL 32 Cb -0.12 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1x47 s VAL 32 CO 0.81 -0.71 0.60 -0.13 -0.31 0.00 0.00 175.10 175.37 1x47 s ARG 33 N -2.65 3.54 0.09 4.82 0.52 -1.26 -3.72 118.95 120.30 1x47 s ARG 33 Ca -0.05 -0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 1x47 s ARG 33 Cb -0.01 -3.85 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 1x47 s ARG 33 CO -0.05 -0.79 1.15 -1.25 0.02 0.00 0.00 175.30 174.38 1x47 s PRO 34 N 2.64 4.49 -0.12 3.54 0.04 -1.26 -4.47 135.00 139.86 1x47 s PRO 34 Ca 0.22 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1x47 s PRO 34 Cb -0.15 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1x47 s PRO 34 CO 0.16 -0.14 0.44 0.08 0.04 0.00 0.00 177.00 177.57 1x47 s VAL 35 N 0.67 5.20 -0.45 -0.36 1.01 0.10 -4.93 120.40 121.65 1x47 s VAL 35 Ca 0.55 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 1x47 s VAL 35 Cb -0.29 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1x47 s VAL 35 CO 0.31 0.35 0.47 -0.31 0.00 0.00 0.00 175.10 175.93 1x47 s TYR 36 N 0.50 3.15 -0.00 5.22 1.51 -1.26 0.47 117.35 126.94 1x47 s TYR 36 Ca 0.24 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.62 1x47 s TYR 36 Cb -0.15 -3.09 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 1x47 s TYR 36 CO 0.09 -0.80 0.48 -0.80 -1.11 0.00 0.00 175.55 173.42 1x47 s ASN 37 N 2.14 6.88 -0.01 2.29 0.01 0.43 -4.91 114.94 121.78 1x47 s ASN 37 Ca 0.11 1.04 0.06 0.00 -0.71 0.00 0.00 52.86 53.37 1x47 s ASN 37 Cb -0.19 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 1x47 s ASN 37 CO 0.12 0.23 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.39 1x47 s PHE 38 N -0.70 1.70 0.38 2.20 0.08 -1.26 0.18 117.98 120.55 1x47 s PHE 38 Ca 0.26 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1x47 s PHE 38 Cb -0.17 -1.08 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1x47 s PHE 38 CO 0.15 -0.01 0.70 -0.59 -0.10 0.00 0.00 175.22 175.36 1x47 s PHE 39 N -0.50 0.46 0.26 0.36 -0.12 -0.48 -4.99 117.98 112.98 1x47 s PHE 39 Ca 0.07 -1.00 -0.01 0.00 -0.05 0.00 0.00 56.93 55.95 1x47 s PHE 39 Cb -0.07 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1x47 s PHE 39 CO -0.00 -1.46 0.46 -1.21 -0.05 0.00 0.00 175.22 172.96 1x47 s GLU 40 N -2.43 3.52 0.17 1.99 2.02 -1.26 -2.03 118.70 120.68 1x47 s GLU 40 Ca 0.21 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.93 1x47 s GLU 40 Cb -0.04 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1x47 s GLU 40 CO 0.15 0.29 0.21 0.00 0.02 0.00 0.00 175.26 175.94 1x47 h GLU 42 N 2.17 0.74 -6.87 0.00 5.08 -1.94 -3.44 114.58 110.31 1x47 h GLU 42 Ca -0.48 -0.54 -0.48 0.00 -1.00 0.00 0.00 59.36 56.86 1x47 h GLU 42 Cb 1.20 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x47 h GLU 42 CO 0.65 1.16 0.37 -0.80 -1.00 0.00 0.00 179.01 179.39 1x47 s ASN 43 N -7.02 7.28 0.47 1.42 -0.87 -1.26 -4.94 114.94 110.02 1x47 s ASN 43 Ca -0.09 1.93 0.28 0.00 -1.57 0.00 0.00 52.86 53.41 1x47 s ASN 43 Cb 0.10 -2.59 0.87 0.00 -0.02 0.00 0.00 41.25 39.61 1x47 s ASN 43 CO 0.88 -0.11 1.80 1.55 -2.57 0.00 0.00 177.10 178.65 1x47 h PRO 44 N 3.27 0.00 -0.01 -0.60 0.13 -2.01 -3.32 132.00 129.45 1x47 h PRO 44 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x47 h PRO 44 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x47 h PRO 44 CO 0.65 0.00 -0.26 1.03 -0.23 0.00 0.00 178.00 179.19 1x47 h SER 45 N 0.00 -0.80 -4.04 1.44 0.87 -1.96 -3.35 113.55 105.71 1x47 h SER 45 Ca 0.00 0.09 -0.64 0.00 -1.23 0.00 0.00 61.79 60.02 1x47 h SER 45 Cb 0.73 0.31 -0.41 0.00 -0.44 0.00 0.00 62.40 62.59 1x47 h SER 45 CO 0.00 -0.25 -0.67 -1.61 -0.53 0.00 0.00 176.83 173.77 1x47 s GLU 46 N -4.30 1.70 0.36 2.24 2.02 -1.25 -4.75 118.70 114.72 1x47 s GLU 46 Ca -0.08 -2.31 0.27 0.00 0.02 0.00 0.00 54.97 52.87 1x47 s GLU 46 Cb 0.03 -3.05 0.88 0.00 0.10 0.00 0.00 34.13 32.09 1x47 s GLU 46 CO 0.29 -1.08 1.77 -1.00 0.02 0.00 0.00 175.26 175.26 1x47 h PRO 47 N 6.81 0.00 -5.41 0.39 0.13 -1.70 -3.39 132.00 128.82 1x47 h PRO 47 Ca -0.06 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 1x47 h PRO 47 Cb 0.93 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.91 1x47 h PRO 47 CO 0.61 0.00 0.39 -0.06 -0.23 0.00 0.00 178.00 178.71 1x47 s PHE 48 N -3.32 2.84 0.09 1.56 0.40 -1.22 -2.81 117.98 115.52 1x47 s PHE 48 Ca 0.06 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1x47 s PHE 48 Cb 0.09 -4.01 -0.03 0.00 0.51 0.00 0.00 43.02 39.58 1x47 s PHE 48 CO 0.55 -1.36 -0.25 0.20 0.70 0.00 0.00 175.22 175.06 1x47 s GLY 49 N 3.13 1.40 0.04 4.36 0.00 -0.86 -0.42 107.32 114.97 1x47 s GLY 49 Ca 0.22 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.50 1x47 s GLY 49 CO 0.13 -1.27 0.29 0.00 0.00 0.00 0.00 173.10 172.25 1x47 s ALA 50 N -0.99 -0.64 0.12 3.20 0.00 0.27 -1.38 121.76 122.34 1x47 s ALA 50 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1x47 s ALA 50 Cb -0.10 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1x47 s ALA 50 CO 0.04 -0.39 -0.04 -1.54 0.00 0.00 0.00 175.76 173.83 1x47 s SER 51 N -1.99 1.11 -0.37 0.00 1.04 0.48 -1.41 113.70 112.57 1x47 s SER 51 Ca -0.06 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1x47 s SER 51 Cb -0.01 0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.32 1x47 s SER 51 CO -0.03 -0.51 0.12 -0.69 0.98 0.00 0.00 173.24 173.11 1x47 s VAL 52 N -3.66 2.83 -0.23 5.02 1.01 0.92 -0.43 120.40 125.87 1x47 s VAL 52 Ca 0.16 -2.12 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1x47 s VAL 52 Cb 0.06 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1x47 s VAL 52 CO -0.02 -0.60 0.52 0.42 0.00 0.00 0.00 175.10 175.42 1x47 s THR 53 N 1.05 5.09 -0.50 3.92 -4.23 0.18 -1.65 115.64 119.49 1x47 s THR 53 Ca 0.08 0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 61.34 1x47 s THR 53 Cb -0.21 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 69.87 1x47 s THR 53 CO -0.06 0.13 0.51 -0.63 -0.54 0.00 0.00 174.62 174.04 1x47 s ILE 54 N 1.98 5.07 -1.45 2.99 1.01 0.52 0.02 121.20 131.33 1x47 s ILE 54 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1x47 s ILE 54 Cb -0.15 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1x47 s ILE 54 CO 0.09 -0.72 0.00 -0.67 0.00 0.00 0.00 174.94 173.64 1x47 n ASP 55 N 5.65 -5.68 0.00 3.58 2.03 -1.26 -0.63 116.55 120.24 1x47 n ASP 55 Ca -0.10 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1x47 n ASP 55 Cb 0.44 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 0.09 1.87 3.68 0.27 0.00 -1.26 -5.07 105.19 104.77 1x47 n GLY 56 Ca -0.14 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.75 3.80 0.10 1.61 1.01 0.19 -4.88 120.40 121.48 1x47 s VAL 57 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1x47 s VAL 57 Cb 0.00 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1x47 s VAL 57 CO 0.00 -0.04 1.06 -0.89 0.00 0.00 0.00 175.10 175.23 1x47 s THR 58 N 3.02 4.27 0.00 3.92 2.01 -1.26 0.19 115.64 127.79 1x47 s THR 58 Ca 0.64 1.79 0.00 0.00 0.31 0.00 0.00 61.69 64.43 1x47 s THR 58 Cb -0.30 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1x47 s THR 58 CO 0.25 0.23 0.00 -1.22 -0.69 0.00 0.00 174.62 173.19 1x47 n TYR 59 N 3.11 0.00 -3.42 4.92 4.02 -0.66 -4.91 117.16 120.21 1x47 n TYR 59 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.72 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 -1.27 2.03 -0.04 2.72 0.00 -1.25 -4.78 107.32 104.74 1x47 s GLY 60 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 44.72 44.09 1x47 s GLY 60 CO 0.00 0.79 0.01 -1.35 0.00 0.00 0.00 173.10 172.55 1x47 s SER 61 N 1.15 0.82 0.35 1.64 1.04 -1.26 -0.05 113.70 117.39 1x47 s SER 61 Ca 0.17 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1x47 s SER 61 Cb -0.15 -0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.74 1x47 s SER 61 CO 0.08 -0.14 0.77 -0.83 0.98 0.00 0.00 173.24 174.10 1x47 s GLY 62 N 1.38 0.23 0.32 7.32 0.00 -0.50 -4.87 107.32 111.20 1x47 s GLY 62 Ca -0.05 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1x47 s GLY 62 CO -0.02 -0.22 0.19 -0.51 0.00 0.00 0.00 173.10 172.53 1x47 s THR 63 N -2.78 0.24 0.14 0.90 -4.23 -1.26 -0.57 115.64 108.08 1x47 s THR 63 Ca 0.14 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 1x47 s THR 63 Cb -0.05 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.36 1x47 s THR 63 CO 0.10 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.89 1x47 n ALA 64 N -0.62 -1.83 0.17 3.99 0.00 0.44 -4.55 120.51 118.11 1x47 n ALA 64 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.75 1x47 n ALA 64 Cb 0.64 0.42 0.31 0.00 0.00 0.00 0.00 19.45 20.82 1x47 n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x47 h SER 65 N 1.38 0.02 -0.86 0.00 0.87 -1.85 -3.22 113.55 109.88 1x47 h SER 65 Ca -0.19 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.70 1x47 h SER 65 Cb 0.84 -0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.66 1x47 h SER 65 CO 0.26 0.44 -0.55 -0.55 -0.53 0.00 0.00 176.83 175.90 1x47 s SER 66 N -6.91 4.04 -0.08 6.23 0.15 -1.26 -4.74 113.70 111.12 1x47 s SER 66 Ca -0.03 -1.54 -0.23 0.00 0.70 0.00 0.00 55.95 54.86 1x47 s SER 66 Cb 0.14 0.16 -0.18 0.00 -1.71 0.00 0.00 66.02 64.43 1x47 s SER 66 CO 0.74 -0.70 0.84 0.50 1.20 0.00 0.00 173.24 175.82 1x47 h LYS 67 N 1.51 -0.09 -0.51 5.44 3.64 -1.88 -3.08 116.57 121.60 1x47 h LYS 67 Ca -0.44 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1x47 h LYS 67 Cb 1.29 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 1x47 h LYS 67 CO 0.77 0.50 -0.51 0.87 -2.27 0.00 0.00 179.45 178.81 1x47 h LYS 68 N -0.85 -0.25 -0.78 1.90 1.57 -1.97 0.26 116.57 116.46 1x47 h LYS 68 Ca -0.01 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1x47 h LYS 68 Cb 0.62 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.86 1x47 h LYS 68 CO 0.01 -0.16 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.20 1x47 h LEU 69 N -0.25 -1.63 -0.24 2.94 -0.00 -1.97 1.50 115.31 115.66 1x47 h LEU 69 Ca 0.09 0.28 0.05 0.00 -0.00 0.00 0.00 57.88 58.30 1x47 h LEU 69 Cb 0.48 0.76 -0.08 0.00 -0.00 0.00 0.00 40.66 41.83 1x47 h LEU 69 CO -0.62 -0.30 -0.40 0.00 -0.00 0.00 0.00 178.44 177.12 1x47 h ALA 70 N 0.79 -0.48 -0.30 1.53 0.00 -0.83 0.87 119.26 120.84 1x47 h ALA 70 Ca 0.22 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1x47 h ALA 70 Cb 0.54 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1x47 h ALA 70 CO -0.82 -0.87 -0.02 -0.22 0.00 0.00 0.00 179.25 177.31 1x47 h LYS 71 N -0.41 0.06 -0.66 0.00 3.64 0.25 1.04 116.57 120.49 1x47 h LYS 71 Ca 0.11 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1x47 h LYS 71 Cb 0.60 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1x47 h LYS 71 CO -0.46 0.04 0.27 -0.97 -2.27 0.00 0.00 179.45 176.06 1x47 h ASN 72 N 0.06 0.29 -0.01 4.20 -1.24 0.35 0.35 115.58 119.59 1x47 h ASN 72 Ca 0.15 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1x47 h ASN 72 Cb 0.20 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 1x47 h ASN 72 CO -0.26 0.16 -0.00 0.11 -1.29 0.00 0.00 177.43 176.15 1x47 h LYS 73 N 0.46 0.01 -0.61 6.67 1.57 0.21 1.43 116.57 126.32 1x47 h LYS 73 Ca 0.34 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.24 1x47 h LYS 73 Cb 0.42 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1x47 h LYS 73 CO -0.32 0.34 0.01 0.00 -0.57 0.00 0.00 179.45 178.91 1x47 h ALA 74 N 0.68 0.60 0.16 3.86 0.00 0.20 0.65 119.26 125.41 1x47 h ALA 74 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x47 h ALA 74 Cb 0.33 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x47 h ALA 74 CO 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 179.25 178.78 1x47 h ALA 75 N 1.55 -0.21 -0.94 0.00 0.00 -0.21 -2.13 119.26 117.33 1x47 h ALA 75 Ca 0.32 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 55.28 1x47 h ALA 75 Cb 0.51 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 1x47 h ALA 75 CO -0.52 -0.30 0.23 -0.09 0.00 0.00 0.00 179.25 178.57 1x47 h ARG 76 N -0.85 0.11 0.12 0.00 2.43 0.26 0.50 114.38 116.95 1x47 h ARG 76 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1x47 h ARG 76 Cb 0.53 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1x47 h ARG 76 CO 0.04 0.07 -0.06 0.00 -1.51 0.00 0.00 179.97 178.51 1x47 h ALA 77 N 1.88 -0.16 -0.98 2.80 0.00 0.27 -2.43 119.26 120.64 1x47 h ALA 77 Ca 0.62 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.58 1x47 h ALA 77 Cb 1.34 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1x47 h ALA 77 CO -0.76 -0.43 0.63 1.15 0.00 0.00 0.00 179.25 179.84 1x47 h THR 78 N -0.47 0.64 0.77 0.00 2.02 0.47 -0.81 112.91 115.53 1x47 h THR 78 Ca -0.02 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1x47 h THR 78 Cb 0.38 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1x47 h THR 78 CO 0.03 0.10 -0.37 -0.07 0.37 0.00 0.00 175.52 175.57 1x47 h LEU 79 N 0.54 -0.88 -1.12 2.58 3.38 -0.06 -2.17 115.31 117.58 1x47 h LEU 79 Ca 0.55 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.83 1x47 h LEU 79 Cb 1.18 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.03 1x47 h LEU 79 CO -0.29 -0.57 0.63 -0.33 0.09 0.00 0.00 178.44 177.96 1x47 h GLU 80 N -1.13 0.40 0.22 1.13 5.08 -0.71 1.70 114.58 121.28 1x47 h GLU 80 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1x47 h GLU 80 Cb 0.81 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1x47 h GLU 80 CO 0.17 0.27 -0.16 0.82 -1.00 0.00 0.00 179.01 179.11 1x47 h ILE 81 N 0.41 0.64 0.02 3.13 2.04 -0.88 -3.06 117.51 119.82 1x47 h ILE 81 Ca 0.68 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.54 1x47 h ILE 81 Cb 1.55 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1x47 h ILE 81 CO -0.47 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 177.60 1x47 h LEU 82 N -0.39 -0.02 -8.50 1.44 3.38 0.15 -3.40 115.31 107.97 1x47 h LEU 82 Ca -0.01 -0.46 -0.71 0.00 0.09 0.00 0.00 57.88 56.79 1x47 h LEU 82 Cb 0.34 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.90 1x47 h LEU 82 CO -0.00 0.45 -0.32 -0.63 0.09 0.00 0.00 178.44 178.02 1x47 s ILE 83 N -4.31 5.18 -0.00 1.22 1.01 0.54 -4.94 121.20 119.90 1x47 s ILE 83 Ca -0.16 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1x47 s ILE 83 Cb 0.02 -3.99 -0.22 0.00 0.01 0.00 0.00 42.46 38.28 1x47 s ILE 83 CO 0.66 -0.38 1.11 1.55 0.00 0.00 0.00 174.94 177.89 1x47 h PRO 84 N 8.68 0.35 -1.97 2.79 0.13 -1.77 -3.28 132.00 136.93 1x47 h PRO 84 Ca -0.27 -0.34 -0.49 0.00 -0.87 0.00 0.00 66.00 64.03 1x47 h PRO 84 Cb 1.12 0.09 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1x47 h PRO 84 CO 0.77 1.01 0.40 -0.25 -0.23 0.00 0.00 178.00 179.70 1x47 n ASP 85 N -4.33 6.48 -0.08 1.44 9.92 -1.26 -4.27 116.55 124.44 1x47 n ASP 85 Ca -0.10 -3.21 -0.21 0.00 -0.53 0.00 0.00 54.79 50.75 1x47 n ASP 85 Cb 0.59 -1.22 -0.12 0.00 -0.64 0.00 0.00 41.12 39.72 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 0.83 0.57 -3.98 1.24 7.35 -1.24 -4.92 117.46 117.32 1x47 n PHE 86 Ca 0.48 0.15 -0.36 0.00 -0.76 0.00 0.00 57.45 56.95 1x47 n PHE 86 Cb 0.55 -1.07 -0.07 0.00 0.35 0.00 0.00 39.48 39.24 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 -2.51 5.24 -1.43 -2.13 -7.23 -1.26 -5.00 120.40 106.08 1x47 s VAL 87 Ca -0.30 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 59.84 1x47 s VAL 87 Cb 0.09 -3.28 0.06 0.00 0.56 0.00 0.00 36.38 33.81 1x47 s VAL 87 CO 0.64 0.60 2.15 0.29 -0.31 0.00 0.00 175.10 178.48 1x47 n LYS 88 N 2.13 2.96 -3.37 4.82 5.02 -1.26 -4.74 118.16 123.72 1x47 n LYS 88 Ca -0.19 -2.76 0.02 0.00 -2.02 0.00 0.00 58.31 53.35 1x47 n LYS 88 Cb 0.55 -3.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.25 1x47 n LYS 88 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x47 s GLN 89 N 2.97 0.25 -0.07 1.97 2.00 -1.26 -5.16 119.66 120.37 1x47 s GLN 89 Ca 0.47 0.64 -0.11 0.00 -2.00 0.00 0.00 55.36 54.36 1x47 s GLN 89 Cb 0.13 0.39 -0.05 0.00 0.80 0.00 0.00 33.01 34.27 1x47 s GLN 89 CO -0.07 -0.09 0.27 -0.08 -0.50 0.00 0.00 175.29 174.83 1x47 s THR 90 N 2.39 5.28 -0.25 -0.34 -1.32 -1.26 -4.65 115.64 115.49 1x47 s THR 90 Ca -0.02 0.51 -0.19 0.00 -1.21 0.00 0.00 61.69 60.78 1x47 s THR 90 Cb -0.05 -3.56 0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1x47 s THR 90 CO -0.17 0.57 0.34 -1.54 -2.21 0.00 0.00 174.62 171.61 1x47 n SER 91 N 2.11 -6.23 -3.57 8.08 3.41 -1.26 -4.98 113.62 111.19 1x47 n SER 91 Ca -0.16 0.21 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 1x47 n SER 91 Cb 0.53 -2.03 -0.16 0.00 -0.26 0.00 0.00 64.21 62.29 1x47 n SER 91 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1x47 s GLU 92 N -1.80 0.14 -0.09 4.33 2.56 -1.26 -5.02 118.70 117.56 1x47 s GLU 92 Ca 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 54.97 54.75 1x47 s GLU 92 Cb -0.02 -1.41 -0.04 0.00 2.00 0.00 0.00 34.13 34.65 1x47 s GLU 92 CO 0.49 -0.89 0.21 0.77 -0.56 0.00 0.00 175.26 175.28 1x47 h SER 93 N 8.41 -0.10 -5.00 -1.70 0.02 -2.00 -3.51 113.55 109.68 1x47 h SER 93 Ca -0.18 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1x47 h SER 93 Cb 1.06 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1x47 h SER 93 CO 0.38 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1x47 n GLY 94 N 1.46 -0.30 3.57 -3.77 0.00 -1.26 -4.94 105.19 99.94 1x47 n GLY 94 Ca -0.02 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 1x47 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x47 s PRO 95 N -0.08 3.19 -0.30 1.61 0.04 -1.26 -4.89 135.00 133.30 1x47 s PRO 95 Ca 0.00 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.44 1x47 s PRO 95 Cb 0.00 -4.18 0.18 0.00 0.04 0.00 0.00 34.50 30.54 1x47 s PRO 95 CO 0.00 -2.08 0.90 -1.54 0.04 0.00 0.00 177.00 174.33 1x47 s SER 96 N 5.07 -0.76 -0.15 6.66 1.04 -1.26 -5.15 113.70 119.15 1x47 s SER 96 Ca 0.55 0.50 -0.06 0.00 0.48 0.00 0.00 55.95 57.42 1x47 s SER 96 Cb -0.12 1.65 0.07 0.00 0.10 0.00 0.00 66.02 67.72 1x47 s SER 96 CO 0.24 -0.14 0.32 -0.44 0.98 0.00 0.00 173.24 174.19 1x47 s SER 97 N 2.91 0.13 0.00 7.02 0.01 -1.26 -5.17 113.70 117.34 1x47 s SER 97 Ca 0.06 0.73 0.28 0.00 1.31 0.00 0.00 55.95 58.34 1x47 s SER 97 Cb -0.12 0.92 1.12 0.00 0.21 0.00 0.00 66.02 68.16 1x47 s SER 97 CO -0.14 -0.24 1.79 0.61 0.41 0.00 0.00 173.24 175.67