#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 -7.84 -3.86 1.61 2.88 -1.26 -4.78 113.62 100.38 1x47 n SER 2 Ca 0.00 1.55 -0.28 0.00 -1.33 0.00 0.00 58.87 58.81 1x47 n SER 2 Cb 0.00 -4.90 -0.12 0.00 -0.75 0.00 0.00 64.21 58.45 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 -3.83 2.86 0.00 -3.46 2.88 -1.26 -5.00 113.62 105.81 1x47 n SER 3 Ca -0.07 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1x47 n SER 3 Cb 0.62 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.96 1.29 2.94 0.46 0.00 -1.26 -5.04 105.19 105.54 1x47 n GLY 4 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -7.41 -3.70 1.61 2.88 -1.26 -5.04 113.62 100.71 1x47 n SER 5 Ca 0.00 0.85 -0.11 0.00 -1.33 0.00 0.00 58.87 58.29 1x47 n SER 5 Cb 0.00 -4.05 -0.11 0.00 -0.75 0.00 0.00 64.21 59.30 1x47 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x47 s SER 6 N -1.65 -0.46 0.00 -3.46 0.01 -1.26 -5.15 113.70 101.73 1x47 s SER 6 Ca 0.09 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1x47 s SER 6 Cb -0.02 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1x47 s SER 6 CO 0.60 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.67 1x47 n GLY 7 N 4.35 1.87 2.84 3.44 0.00 -1.26 -5.10 105.19 111.32 1x47 n GLY 7 Ca -0.22 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1x47 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x47 n GLU 8 N -0.45 -2.83 -1.06 1.61 2.13 -1.26 -4.89 120.64 113.88 1x47 n GLU 8 Ca 0.00 2.37 -0.35 0.00 0.66 0.00 0.00 57.16 59.83 1x47 n GLU 8 Cb 0.00 -4.94 0.07 0.00 0.27 0.00 0.00 31.44 26.84 1x47 n GLU 8 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1x47 n PHE 9 N 0.42 -2.15 -1.69 4.31 3.01 -1.26 -4.62 117.46 115.48 1x47 n PHE 9 Ca 0.03 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1x47 n PHE 9 Cb 0.21 -1.75 0.00 0.00 -0.01 0.00 0.00 39.48 37.93 1x47 n PHE 9 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1x47 n VAL 10 N -2.69 -5.58 -3.53 -4.37 0.31 -1.26 -4.94 118.33 96.27 1x47 n VAL 10 Ca 0.06 2.42 -0.37 0.00 -0.01 0.00 0.00 64.34 66.44 1x47 n VAL 10 Cb 0.52 -3.30 -0.06 0.00 -0.91 0.00 0.00 33.84 30.09 1x47 n VAL 10 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x47 s ILE 11 N -1.85 5.06 -0.16 2.52 1.01 -1.26 -4.73 121.20 121.78 1x47 s ILE 11 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 1x47 s ILE 11 Cb 0.00 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1x47 s ILE 11 CO 0.00 0.51 0.23 0.59 0.00 0.00 0.00 174.94 176.27 1x47 n ASN 12 N 1.60 -1.37 -4.63 3.58 3.02 -1.26 -4.84 115.26 111.36 1x47 n ASN 12 Ca -0.13 1.41 -0.43 0.00 -0.03 0.00 0.00 54.58 55.41 1x47 n ASN 12 Cb 0.52 -5.25 -0.02 0.00 -0.61 0.00 0.00 39.78 34.42 1x47 n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x47 s PRO 13 N -0.65 3.87 0.45 3.52 0.04 -1.26 -4.96 135.00 136.01 1x47 s PRO 13 Ca -0.26 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 1x47 s PRO 13 Cb 0.02 -3.91 -0.14 0.00 0.04 0.00 0.00 34.50 30.51 1x47 s PRO 13 CO 0.70 -1.18 0.24 0.27 0.04 0.00 0.00 177.00 177.07 1x47 n ASN 14 N 7.83 -2.20 0.00 6.66 0.23 -1.26 -4.98 115.26 121.54 1x47 n ASN 14 Ca 0.15 0.80 0.00 0.00 -0.53 0.00 0.00 54.58 55.01 1x47 n ASN 14 Cb 0.47 -0.98 0.00 0.00 -2.08 0.00 0.00 39.78 37.18 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x47 n GLY 15 N 2.14 1.45 3.70 4.83 0.00 -1.26 -4.97 105.19 111.07 1x47 n GLY 15 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1x47 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x47 s LYS 16 N 0.44 4.19 0.57 1.61 3.01 -1.26 -5.07 119.74 123.23 1x47 s LYS 16 Ca 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 55.97 55.03 1x47 s LYS 16 Cb 0.00 -3.47 0.06 0.00 -1.01 0.00 0.00 37.83 33.41 1x47 s LYS 16 CO 0.00 0.14 0.51 -1.12 0.51 0.00 0.00 175.35 175.40 1x47 s SER 17 N 0.71 4.70 0.14 2.83 0.01 -1.26 -4.86 113.70 115.97 1x47 s SER 17 Ca 0.14 -1.22 -0.26 0.00 1.31 0.00 0.00 55.95 55.92 1x47 s SER 17 Cb -0.13 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 1x47 s SER 17 CO 0.04 -1.24 1.60 -0.08 0.41 0.00 0.00 173.24 173.96 1x47 h GLU 18 N 0.55 -0.37 -0.86 12.44 4.57 -1.98 0.58 114.58 129.52 1x47 h GLU 18 Ca -0.34 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.09 1x47 h GLU 18 Cb 1.31 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.83 1x47 h GLU 18 CO 0.53 -0.24 0.16 -0.39 -1.18 0.00 0.00 179.01 177.88 1x47 h VAL 19 N -0.38 0.29 0.39 0.32 -1.51 -1.86 1.12 116.25 114.62 1x47 h VAL 19 Ca 0.11 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.51 1x47 h VAL 19 Cb 0.57 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1x47 h VAL 19 CO -0.43 0.03 -0.19 0.00 -1.23 0.00 0.00 177.57 175.75 1x47 h ILE 21 N -0.71 0.01 -0.93 0.00 2.04 0.13 0.83 117.51 118.88 1x47 h ILE 21 Ca -0.05 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1x47 h ILE 21 Cb 0.40 0.01 -0.17 0.00 -0.74 0.00 0.00 36.82 36.32 1x47 h ILE 21 CO 0.09 0.00 -0.26 0.25 0.00 0.00 0.00 178.15 178.23 1x47 h LEU 22 N -0.03 -0.97 0.91 1.44 7.12 0.12 0.19 115.31 124.09 1x47 h LEU 22 Ca 0.22 0.28 -0.04 0.00 0.13 0.00 0.00 57.88 58.46 1x47 h LEU 22 Cb 0.49 0.61 0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1x47 h LEU 22 CO -0.92 -0.31 -0.44 -0.74 -0.13 0.00 0.00 178.44 175.90 1x47 h HIS 23 N -0.01 -1.13 -0.25 1.25 2.76 0.92 -0.38 115.15 118.32 1x47 h HIS 23 Ca 0.42 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 1x47 h HIS 23 Cb 0.66 0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 1x47 h HIS 23 CO -0.75 -0.70 -0.15 1.49 -1.30 0.00 0.00 177.93 176.52 1x47 h GLU 24 N -1.23 -0.00 -0.85 5.26 4.81 0.21 1.21 114.58 123.99 1x47 h GLU 24 Ca -0.12 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1x47 h GLU 24 Cb 0.94 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.20 1x47 h GLU 24 CO 0.21 -0.00 0.36 -0.92 -0.73 0.00 0.00 179.01 177.92 1x47 h TYR 25 N -0.00 0.60 0.92 0.92 5.03 -0.87 1.46 116.97 125.03 1x47 h TYR 25 Ca 0.04 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1x47 h TYR 25 Cb 0.10 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.26 1x47 h TYR 25 CO -0.96 -0.00 -0.44 0.52 -1.32 0.00 0.00 178.16 175.95 1x47 h MET 26 N 0.42 -1.19 0.00 1.82 2.86 0.15 0.88 114.93 119.86 1x47 h MET 26 Ca 0.51 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1x47 h MET 26 Cb 0.89 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1x47 h MET 26 CO -0.49 -0.80 0.00 0.94 1.06 0.00 0.00 176.91 177.63 1x47 n GLN 27 N -5.46 0.19 -0.10 1.72 7.27 0.37 0.21 117.38 121.58 1x47 n GLN 27 Ca -0.15 0.16 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 1x47 n GLN 27 Cb 0.49 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.52 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 -1.31 0.60 -0.12 3.69 0.63 0.49 -3.35 116.66 117.29 1x47 n ARG 28 Ca 0.07 0.45 -0.24 0.00 -0.92 0.00 0.00 57.85 57.21 1x47 n ARG 28 Cb 0.12 -1.68 -0.10 0.00 0.45 0.00 0.00 32.46 31.25 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 -4.21 1.53 -0.04 5.15 0.24 0.30 -4.56 118.33 116.73 1x47 n VAL 29 Ca -0.37 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.63 1x47 n VAL 29 Cb 0.79 -2.00 -0.12 0.00 -1.47 0.00 0.00 33.84 31.05 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 0.04 -0.92 1.34 3.38 0.23 -3.49 115.31 114.90 1x47 h LEU 30 Ca -0.47 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1x47 h LEU 30 Cb 1.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1x47 h LEU 30 CO -0.29 0.83 0.00 1.17 0.09 0.00 0.00 178.44 180.24 1x47 n LYS 31 N -4.67 0.00 -3.90 1.13 4.81 0.50 -4.91 118.16 111.11 1x47 n LYS 31 Ca -0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 1x47 n LYS 31 Cb 0.41 -2.25 -0.12 0.00 0.02 0.00 0.00 35.03 33.09 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 -2.90 0.05 -0.33 3.15 -7.23 -1.25 -4.89 120.40 107.01 1x47 s VAL 32 Ca 0.00 -0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 1x47 s VAL 32 Cb 0.00 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.76 1x47 s VAL 32 CO 0.00 -0.22 0.88 -0.13 -0.31 0.00 0.00 175.10 175.32 1x47 s ARG 33 N -0.68 3.94 0.15 4.82 0.52 -1.26 -3.68 118.95 122.76 1x47 s ARG 33 Ca -0.08 0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 1x47 s ARG 33 Cb -0.05 -3.75 -0.07 0.00 0.52 0.00 0.00 34.95 31.60 1x47 s ARG 33 CO -0.00 -0.81 1.13 -1.25 0.02 0.00 0.00 175.30 174.39 1x47 s PRO 34 N 3.24 4.55 -0.05 3.54 0.04 -1.26 -4.59 135.00 140.46 1x47 s PRO 34 Ca 0.36 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1x47 s PRO 34 Cb -0.13 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1x47 s PRO 34 CO 0.15 -0.02 0.47 0.08 0.04 0.00 0.00 177.00 177.72 1x47 s VAL 35 N 0.09 5.07 -0.38 -0.36 1.01 0.14 -4.92 120.40 121.05 1x47 s VAL 35 Ca 0.52 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 1x47 s VAL 35 Cb -0.30 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1x47 s VAL 35 CO 0.34 0.44 0.31 -0.31 0.00 0.00 0.00 175.10 175.88 1x47 s TYR 36 N -0.18 3.22 -0.19 5.22 1.51 -1.26 0.15 117.35 125.82 1x47 s TYR 36 Ca 0.26 -0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 55.85 1x47 s TYR 36 Cb -0.16 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1x47 s TYR 36 CO 0.13 -0.50 0.32 -0.80 -1.11 0.00 0.00 175.55 173.58 1x47 s ASN 37 N 1.72 6.38 0.15 2.29 0.01 0.50 -4.92 114.94 121.08 1x47 s ASN 37 Ca 0.08 0.45 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 1x47 s ASN 37 Cb -0.18 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1x47 s ASN 37 CO 0.11 0.02 0.02 -0.36 -1.51 0.00 0.00 177.10 175.38 1x47 s PHE 38 N 0.93 2.94 0.34 2.20 0.08 -1.26 0.18 117.98 123.39 1x47 s PHE 38 Ca 0.16 -0.08 -0.16 0.00 0.12 0.00 0.00 56.93 56.97 1x47 s PHE 38 Cb -0.14 -1.45 0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1x47 s PHE 38 CO 0.06 0.50 0.72 -0.59 -0.10 0.00 0.00 175.22 175.82 1x47 s PHE 39 N -1.60 0.10 -0.09 0.36 -0.12 -0.60 -4.97 117.98 111.07 1x47 s PHE 39 Ca 0.27 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1x47 s PHE 39 Cb -0.10 0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1x47 s PHE 39 CO 0.19 -1.40 -0.08 -2.00 -0.05 0.00 0.00 175.22 171.88 1x47 s GLU 40 N -3.00 2.93 0.24 1.99 2.12 -1.26 -2.60 118.70 119.11 1x47 s GLU 40 Ca 0.15 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.74 1x47 s GLU 40 Cb -0.05 -2.61 -0.08 0.00 0.26 0.00 0.00 34.13 31.65 1x47 s GLU 40 CO 0.10 0.54 0.68 0.00 -0.54 0.00 0.00 175.26 176.04 1x47 h GLU 42 N 3.00 0.00 -6.67 0.00 4.11 -1.91 -3.43 114.58 109.68 1x47 h GLU 42 Ca -0.48 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.45 1x47 h GLU 42 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1x47 h GLU 42 CO 0.66 0.27 0.18 -0.80 0.07 0.00 0.00 179.01 179.38 1x47 s ASN 43 N -6.32 7.13 0.48 3.06 0.01 -1.26 -4.96 114.94 113.08 1x47 s ASN 43 Ca 0.05 1.54 0.27 0.00 -0.71 0.00 0.00 52.86 54.01 1x47 s ASN 43 Cb 0.07 -2.47 0.82 0.00 0.41 0.00 0.00 41.25 40.08 1x47 s ASN 43 CO 0.70 -0.00 1.78 1.55 -1.51 0.00 0.00 177.10 179.62 1x47 h PRO 44 N 3.32 0.00 0.07 -0.60 0.13 -2.01 -3.29 132.00 129.62 1x47 h PRO 44 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x47 h PRO 44 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1x47 h PRO 44 CO 0.65 0.05 -0.40 0.77 -0.23 0.00 0.00 178.00 178.84 1x47 h SER 45 N 0.00 -1.22 -3.03 1.44 0.02 -1.97 -3.37 113.55 105.42 1x47 h SER 45 Ca -0.00 0.13 -0.59 0.00 -0.84 0.00 0.00 61.79 60.49 1x47 h SER 45 Cb 0.79 0.45 -0.40 0.00 0.14 0.00 0.00 62.40 63.39 1x47 h SER 45 CO 0.01 -0.42 -0.79 -1.61 -1.14 0.00 0.00 176.83 172.88 1x47 s GLU 46 N -5.08 0.82 0.20 3.45 8.01 -1.24 -4.69 118.70 120.16 1x47 s GLU 46 Ca -0.12 -1.49 0.24 0.00 0.01 0.00 0.00 54.97 53.61 1x47 s GLU 46 Cb 0.05 -1.77 0.91 0.00 -4.31 0.00 0.00 34.13 29.00 1x47 s GLU 46 CO 0.46 -1.15 1.74 -0.35 0.01 0.00 0.00 175.26 175.97 1x47 n PRO 47 N 4.06 0.19 -3.06 0.39 -0.04 -1.24 -4.37 135.00 130.92 1x47 n PRO 47 Ca 0.07 0.29 -0.44 0.00 -0.04 0.00 0.00 63.50 63.38 1x47 n PRO 47 Cb 0.37 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1x47 n PRO 47 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1x47 s PHE 48 N -3.17 2.96 0.07 0.54 0.40 -1.22 -2.02 117.98 115.54 1x47 s PHE 48 Ca 0.08 -0.46 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1x47 s PHE 48 Cb 0.11 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 1x47 s PHE 48 CO 0.48 -1.17 -0.23 0.20 0.70 0.00 0.00 175.22 175.20 1x47 s GLY 49 N 2.87 1.28 0.09 4.36 0.00 -1.07 -0.48 107.32 114.37 1x47 s GLY 49 Ca 0.19 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 1x47 s GLY 49 CO 0.13 -1.16 0.27 0.00 0.00 0.00 0.00 173.10 172.34 1x47 s ALA 50 N -0.93 -0.52 0.11 3.20 0.00 0.55 -1.55 121.76 122.62 1x47 s ALA 50 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1x47 s ALA 50 Cb -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1x47 s ALA 50 CO 0.03 -0.53 0.09 0.45 0.00 0.00 0.00 175.76 175.80 1x47 s SER 51 N -2.67 0.29 -0.30 0.00 0.15 0.48 -1.09 113.70 110.56 1x47 s SER 51 Ca 0.02 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 55.64 1x47 s SER 51 Cb 0.03 0.30 0.07 0.00 -1.71 0.00 0.00 66.02 64.71 1x47 s SER 51 CO -0.10 -0.73 -0.01 -0.69 1.20 0.00 0.00 173.24 172.91 1x47 s VAL 52 N -3.99 2.51 -0.23 4.45 1.01 0.24 -0.37 120.40 124.02 1x47 s VAL 52 Ca 0.17 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 1x47 s VAL 52 Cb 0.07 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1x47 s VAL 52 CO -0.03 -0.25 0.36 0.42 0.00 0.00 0.00 175.10 175.60 1x47 s THR 53 N 1.09 5.21 -0.49 3.92 -4.23 0.39 -1.75 115.64 119.78 1x47 s THR 53 Ca -0.02 0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 60.92 1x47 s THR 53 Cb -0.20 -3.69 0.07 0.00 1.34 0.00 0.00 72.50 70.02 1x47 s THR 53 CO -0.05 0.23 0.49 -0.63 -0.54 0.00 0.00 174.62 174.12 1x47 s ILE 54 N 1.55 5.10 -1.54 2.99 1.01 0.49 0.25 121.20 131.05 1x47 s ILE 54 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1x47 s ILE 54 Cb -0.15 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1x47 s ILE 54 CO 0.08 -0.68 0.00 -0.67 0.00 0.00 0.00 174.94 173.67 1x47 n ASP 55 N 5.58 -5.48 0.00 3.58 2.03 -1.26 -0.74 116.55 120.25 1x47 n ASP 55 Ca -0.10 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1x47 n ASP 55 Cb 0.44 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.58 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 -0.22 1.56 3.69 0.27 0.00 -1.26 -5.06 105.19 104.16 1x47 n GLY 56 Ca -0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.31 3.75 0.21 1.61 1.01 0.08 -4.89 120.40 120.86 1x47 s VAL 57 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1x47 s VAL 57 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1x47 s VAL 57 CO 0.00 -0.01 1.05 -0.89 0.00 0.00 0.00 175.10 175.25 1x47 s THR 58 N 2.51 3.86 0.00 3.92 2.01 -1.26 0.19 115.64 126.87 1x47 s THR 58 Ca 0.64 1.72 0.00 0.00 0.31 0.00 0.00 61.69 64.35 1x47 s THR 58 Cb -0.31 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1x47 s THR 58 CO 0.26 0.35 0.00 -1.22 -0.69 0.00 0.00 174.62 173.32 1x47 n TYR 59 N 1.91 0.00 -3.82 4.92 4.02 -0.72 -4.90 117.16 118.58 1x47 n TYR 59 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1x47 n TYR 59 Cb 0.46 0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 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 -2.39 2.11 -0.21 2.72 0.00 -1.23 -4.78 107.32 103.53 1x47 s GLY 60 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 1x47 s GLY 60 CO 0.00 -0.17 0.40 -1.35 0.00 0.00 0.00 173.10 171.98 1x47 s SER 61 N -0.47 -0.07 0.24 1.64 1.04 -1.26 0.82 113.70 115.64 1x47 s SER 61 Ca 0.12 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 1x47 s SER 61 Cb -0.12 1.25 0.01 0.00 0.10 0.00 0.00 66.02 67.26 1x47 s SER 61 CO 0.02 -0.26 0.34 0.61 0.98 0.00 0.00 173.24 174.93 1x47 n GLY 62 N 5.38 2.37 3.27 7.32 0.00 -0.25 -4.93 105.19 118.36 1x47 n GLY 62 Ca -0.06 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 1x47 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x47 s THR 63 N -2.67 0.00 0.15 2.61 -4.23 -1.26 -0.33 115.64 109.91 1x47 s THR 63 Ca 0.19 -1.94 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 1x47 s THR 63 Cb -0.01 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1x47 s THR 63 CO 0.14 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 175.00 1x47 n ALA 64 N -0.44 -2.03 0.16 3.99 0.00 0.37 -4.56 120.51 118.00 1x47 n ALA 64 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 53.44 52.69 1x47 n ALA 64 Cb 0.64 0.47 0.24 0.00 0.00 0.00 0.00 19.45 20.80 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 1.53 0.00 -0.54 0.00 0.02 -1.85 -3.24 113.55 109.47 1x47 h SER 65 Ca -0.21 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.11 1x47 h SER 65 Cb 0.93 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.38 1x47 h SER 65 CO 0.29 0.51 -0.41 -0.44 -1.14 0.00 0.00 176.83 175.63 1x47 s SER 66 N -6.66 4.38 -0.07 3.07 0.01 -1.26 -4.81 113.70 108.36 1x47 s SER 66 Ca -0.01 -1.43 -0.19 0.00 1.31 0.00 0.00 55.95 55.64 1x47 s SER 66 Cb 0.12 0.41 -0.30 0.00 0.21 0.00 0.00 66.02 66.46 1x47 s SER 66 CO 0.73 -0.95 0.75 0.50 0.41 0.00 0.00 173.24 174.67 1x47 h LYS 67 N 1.07 0.29 0.30 12.44 3.64 -1.90 -3.27 116.57 129.15 1x47 h LYS 67 Ca -0.40 -0.50 -0.00 0.00 -1.27 0.00 0.00 60.65 58.47 1x47 h LYS 67 Cb 1.31 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 1x47 h LYS 67 CO 0.66 1.24 -0.52 -0.22 -2.27 0.00 0.00 179.45 178.34 1x47 h LYS 68 N -0.30 -0.85 -0.92 1.90 3.64 -1.98 -0.43 116.57 117.63 1x47 h LYS 68 Ca -0.23 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1x47 h LYS 68 Cb 1.74 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 33.64 1x47 h LYS 68 CO 0.12 -0.57 -0.57 -0.07 -2.27 0.00 0.00 179.45 176.09 1x47 h LEU 69 N -0.88 -2.08 -0.52 5.20 -0.00 -1.97 1.56 115.31 116.61 1x47 h LEU 69 Ca -0.03 0.31 0.08 0.00 -0.00 0.00 0.00 57.88 58.24 1x47 h LEU 69 Cb 0.82 0.92 -0.10 0.00 -0.00 0.00 0.00 40.66 42.29 1x47 h LEU 69 CO -0.19 -0.24 -0.42 0.00 -0.00 0.00 0.00 178.44 177.60 1x47 h ALA 70 N 0.41 -0.32 -0.31 1.53 0.00 -1.50 1.33 119.26 120.41 1x47 h ALA 70 Ca 0.15 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1x47 h ALA 70 Cb 0.41 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1x47 h ALA 70 CO -0.89 -0.82 0.02 -0.22 0.00 0.00 0.00 179.25 177.34 1x47 h LYS 71 N -0.25 0.11 -0.71 0.00 3.64 0.13 0.91 116.57 120.39 1x47 h LYS 71 Ca 0.17 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1x47 h LYS 71 Cb 0.57 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1x47 h LYS 71 CO -0.65 0.07 0.37 -0.97 -2.27 0.00 0.00 179.45 176.01 1x47 h ASN 72 N 0.11 0.51 -0.12 4.20 -1.24 0.48 0.99 115.58 120.51 1x47 h ASN 72 Ca 0.15 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1x47 h ASN 72 Cb 0.19 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 1x47 h ASN 72 CO -0.23 0.30 0.01 0.11 -1.29 0.00 0.00 177.43 176.33 1x47 h LYS 73 N 0.65 0.21 -0.65 6.67 1.57 0.30 1.45 116.57 126.77 1x47 h LYS 73 Ca 0.34 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.19 1x47 h LYS 73 Cb 0.31 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.50 1x47 h LYS 73 CO -0.24 0.43 0.10 0.00 -0.57 0.00 0.00 179.45 179.17 1x47 h ALA 74 N 0.77 0.74 0.18 3.86 0.00 0.17 0.35 119.26 125.34 1x47 h ALA 74 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1x47 h ALA 74 Cb 0.33 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x47 h ALA 74 CO 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.82 1x47 h ALA 75 N 1.55 -0.25 -0.96 0.00 0.00 -0.64 -2.46 119.26 116.49 1x47 h ALA 75 Ca 0.35 -0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.48 1x47 h ALA 75 Cb 0.56 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 1x47 h ALA 75 CO -0.48 -0.27 0.48 -2.13 0.00 0.00 0.00 179.25 176.85 1x47 n ARG 76 N -4.93 -0.06 0.14 0.00 0.63 0.49 0.64 116.66 113.58 1x47 n ARG 76 Ca -0.06 1.34 -0.12 0.00 -0.92 0.00 0.00 57.85 58.10 1x47 n ARG 76 Cb 0.21 -2.38 -0.07 0.00 0.45 0.00 0.00 32.46 30.67 1x47 n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x47 h ALA 77 N 1.93 -0.42 -1.13 5.13 0.00 -0.36 -1.95 119.26 122.46 1x47 h ALA 77 Ca 0.80 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 55.84 1x47 h ALA 77 Cb 2.08 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.95 1x47 h ALA 77 CO -0.76 -0.49 0.75 1.15 0.00 0.00 0.00 179.25 179.91 1x47 h THR 78 N -0.92 0.42 0.44 0.00 2.02 0.71 0.14 112.91 115.72 1x47 h THR 78 Ca -0.04 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1x47 h THR 78 Cb 0.52 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1x47 h THR 78 CO 0.07 0.04 -0.21 -0.07 0.37 0.00 0.00 175.52 175.72 1x47 h LEU 79 N 0.24 -0.50 -0.86 2.58 3.38 -0.29 -2.80 115.31 117.06 1x47 h LEU 79 Ca 0.63 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.84 1x47 h LEU 79 Cb 1.89 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 42.62 1x47 h LEU 79 CO -0.25 -0.19 0.15 -0.33 0.09 0.00 0.00 178.44 177.92 1x47 h GLU 80 N -0.92 0.15 -0.30 1.13 5.08 -0.35 1.43 114.58 120.81 1x47 h GLU 80 Ca -0.06 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1x47 h GLU 80 Cb 0.45 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 1x47 h GLU 80 CO 0.10 0.10 -0.26 0.82 -1.00 0.00 0.00 179.01 178.77 1x47 h ILE 81 N 0.15 0.34 0.44 3.13 2.04 -0.80 -2.95 117.51 119.87 1x47 h ILE 81 Ca 0.53 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.37 1x47 h ILE 81 Cb 1.04 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1x47 h ILE 81 CO -0.69 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.18 1x47 h LEU 82 N -0.24 -0.50 -8.75 1.44 3.38 -0.10 -3.41 115.31 107.13 1x47 h LEU 82 Ca 0.15 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.50 1x47 h LEU 82 Cb 0.48 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 1x47 h LEU 82 CO -0.44 -0.07 0.20 -0.63 0.09 0.00 0.00 178.44 177.59 1x47 s ILE 83 N -3.51 4.83 -0.33 1.22 1.01 0.45 -4.90 121.20 119.97 1x47 s ILE 83 Ca -0.09 0.56 0.27 0.00 0.00 0.00 0.00 60.65 61.40 1x47 s ILE 83 Cb 0.01 -4.14 0.33 0.00 0.01 0.00 0.00 42.46 38.67 1x47 s ILE 83 CO 0.27 -0.41 1.78 1.55 0.00 0.00 0.00 174.94 178.14 1x47 h PRO 84 N 8.56 0.00 0.00 2.79 0.13 -1.80 -3.32 132.00 138.37 1x47 h PRO 84 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1x47 h PRO 84 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x47 h PRO 84 CO 0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 1x47 n ASP 85 N -2.77 0.00 0.00 1.44 9.92 -1.26 -4.94 116.55 118.94 1x47 n ASP 85 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1x47 n ASP 85 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 -0.75 0.00 -1.60 1.24 7.35 -1.26 -4.77 117.46 117.67 1x47 n PHE 86 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1x47 n PHE 86 Cb 0.00 0.00 0.10 0.00 0.35 0.00 0.00 39.48 39.93 1x47 n PHE 86 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1x47 s VAL 87 N 0.00 2.60 -0.87 -2.13 0.11 -1.26 -4.95 120.40 113.90 1x47 s VAL 87 Ca 0.00 0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1x47 s VAL 87 Cb 0.00 -2.98 0.31 0.00 -1.53 0.00 0.00 36.38 32.18 1x47 s VAL 87 CO 0.00 -0.26 2.07 1.17 -3.33 0.00 0.00 175.10 174.75 1x47 n LYS 88 N -3.52 3.38 -2.95 1.54 4.81 -1.26 -4.90 118.16 115.25 1x47 n LYS 88 Ca 0.07 -3.66 -0.01 0.00 -0.87 0.00 0.00 58.31 53.84 1x47 n LYS 88 Cb 0.58 -2.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.31 1x47 n LYS 88 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x47 n GLN 89 N -0.23 -2.01 -4.60 1.64 6.02 -1.26 -4.99 117.38 111.95 1x47 n GLN 89 Ca 0.52 1.82 -0.28 0.00 -0.01 0.00 0.00 57.00 59.04 1x47 n GLN 89 Cb 0.27 -2.69 -0.17 0.00 1.02 0.00 0.00 30.24 28.67 1x47 n GLN 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x47 s THR 90 N -0.87 1.54 0.27 5.09 -4.23 -1.26 -5.10 115.64 111.07 1x47 s THR 90 Ca -0.05 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1x47 s THR 90 Cb 0.00 -1.39 -0.14 0.00 1.34 0.00 0.00 72.50 72.31 1x47 s THR 90 CO 0.32 0.45 1.15 -1.20 -0.54 0.00 0.00 174.62 174.80 1x47 n SER 91 N 4.03 1.79 -3.64 3.99 7.64 -1.26 -4.98 113.62 121.19 1x47 n SER 91 Ca -0.20 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.81 1x47 n SER 91 Cb 0.52 -1.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.32 1x47 n SER 91 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x47 s GLU 92 N -1.20 0.46 -0.29 1.43 2.56 -1.26 -5.16 118.70 115.23 1x47 s GLU 92 Ca 0.62 0.75 -0.18 0.00 0.00 0.00 0.00 54.97 56.16 1x47 s GLU 92 Cb -0.70 0.11 0.15 0.00 2.00 0.00 0.00 34.13 35.70 1x47 s GLU 92 CO 0.57 -0.09 1.05 -1.12 -0.56 0.00 0.00 175.26 175.12 1x47 s SER 93 N 1.22 -0.41 0.00 -1.70 0.01 -1.26 -5.18 113.70 106.39 1x47 s SER 93 Ca -0.07 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1x47 s SER 93 Cb -0.04 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.26 1x47 s SER 93 CO -0.14 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x47 n GLY 94 N 3.28 4.97 3.21 3.44 0.00 -1.26 -5.17 105.19 113.66 1x47 n GLY 94 Ca -0.17 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.99 -3.46 1.61 -0.04 -1.26 -5.08 135.00 124.78 1x47 n PRO 95 Ca 0.00 -1.66 -0.17 0.00 -0.04 0.00 0.00 63.50 61.63 1x47 n PRO 95 Cb 0.00 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 1x47 n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x47 s SER 96 N -4.67 1.34 0.15 3.54 0.15 -1.26 -4.96 113.70 108.00 1x47 s SER 96 Ca 0.64 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1x47 s SER 96 Cb -0.04 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1x47 s SER 96 CO 0.47 -0.34 0.00 -0.24 1.20 0.00 0.00 173.24 174.33 1x47 n SER 97 N 5.32 -1.38 -0.94 5.45 2.88 -1.26 -5.38 113.62 118.32 1x47 n SER 97 Ca -0.05 0.60 0.12 0.00 -1.33 0.00 0.00 58.87 58.21 1x47 n SER 97 Cb 0.49 1.59 0.10 0.00 -0.75 0.00 0.00 64.21 65.63 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42