#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 2.04 -3.61 1.61 3.41 -1.26 -4.81 113.62 110.99 1x47 n SER 2 Ca 0.00 -0.30 -0.06 0.00 -0.26 0.00 0.00 58.87 58.26 1x47 n SER 2 Cb 0.00 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.45 1x47 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x47 s SER 3 N 11.17 -0.18 0.00 4.04 0.15 -1.26 -4.85 113.70 122.77 1x47 s SER 3 Ca 1.05 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1x47 s SER 3 Cb -0.40 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1x47 s SER 3 CO 0.32 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1x47 n GLY 4 N 0.59 0.05 0.53 9.45 0.00 -1.26 -5.11 105.19 109.43 1x47 n GLY 4 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x47 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x47 n SER 5 N 0.00 -0.94 -3.84 1.61 7.64 -1.26 -5.15 113.62 111.68 1x47 n SER 5 Ca 0.00 0.54 -0.12 0.00 1.01 0.00 0.00 58.87 60.30 1x47 n SER 5 Cb 0.00 1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 64.32 1x47 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x47 s SER 6 N -2.00 -0.05 -0.49 6.43 0.15 -1.26 -5.08 113.70 111.41 1x47 s SER 6 Ca 0.00 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1x47 s SER 6 Cb 0.00 0.25 0.36 0.00 -1.71 0.00 0.00 66.02 64.92 1x47 s SER 6 CO 0.00 -0.36 0.92 0.61 1.20 0.00 0.00 173.24 175.61 1x47 n GLY 7 N 1.55 4.86 3.56 9.45 0.00 -1.26 -5.04 105.19 118.31 1x47 n GLY 7 Ca -0.22 -2.40 -0.08 0.00 0.00 0.00 0.00 46.02 43.32 1x47 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x47 s GLU 8 N -3.20 0.58 -0.30 1.61 -1.05 -1.26 -5.16 118.70 109.92 1x47 s GLU 8 Ca 0.45 -0.03 -0.10 0.00 -0.15 0.00 0.00 54.97 55.15 1x47 s GLU 8 Cb 0.33 0.27 0.16 0.00 -0.44 0.00 0.00 34.13 34.45 1x47 s GLU 8 CO -0.12 -0.22 0.77 -0.06 0.95 0.00 0.00 175.26 176.58 1x47 s PHE 9 N -1.86 -1.15 -0.28 4.83 0.08 -1.26 -5.04 117.98 113.30 1x47 s PHE 9 Ca 0.02 1.71 -0.06 0.00 0.12 0.00 0.00 56.93 58.72 1x47 s PHE 9 Cb -0.01 0.59 0.01 0.00 -0.57 0.00 0.00 43.02 43.04 1x47 s PHE 9 CO -0.03 -0.59 0.17 0.28 -0.10 0.00 0.00 175.22 174.95 1x47 n VAL 10 N 5.32 -9.08 -1.68 -0.44 0.31 -1.26 -4.85 118.33 106.65 1x47 n VAL 10 Ca -0.08 1.24 -0.40 0.00 -0.01 0.00 0.00 64.34 65.08 1x47 n VAL 10 Cb 0.51 -5.89 0.02 0.00 -0.91 0.00 0.00 33.84 27.57 1x47 n VAL 10 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x47 n ILE 11 N 0.56 2.87 -3.96 2.52 -0.00 -1.26 -5.01 119.36 115.08 1x47 n ILE 11 Ca 0.02 -0.50 -0.21 0.00 -0.00 0.00 0.00 62.75 62.06 1x47 n ILE 11 Cb 0.25 -1.46 -0.17 0.00 -0.00 0.00 0.00 39.64 38.27 1x47 n ILE 11 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1x47 s ASN 12 N -0.71 1.16 -1.10 4.38 0.01 -1.26 -5.05 114.94 112.36 1x47 s ASN 12 Ca 0.65 -0.10 -0.17 0.00 -0.71 0.00 0.00 52.86 52.52 1x47 s ASN 12 Cb -0.49 -0.42 -0.07 0.00 0.41 0.00 0.00 41.25 40.68 1x47 s ASN 12 CO 0.55 -0.12 2.10 -0.81 -1.51 0.00 0.00 177.10 177.31 1x47 n PRO 13 N 4.53 2.18 -0.08 -0.60 -0.04 -1.26 -4.41 135.00 135.31 1x47 n PRO 13 Ca -0.18 -2.16 -0.08 0.00 -0.04 0.00 0.00 63.50 61.04 1x47 n PRO 13 Cb 0.50 -3.05 -0.03 0.00 -0.04 0.00 0.00 33.50 30.89 1x47 n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x47 n ASN 14 N 6.61 1.87 -2.24 3.54 2.85 -1.26 -5.11 115.26 121.51 1x47 n ASN 14 Ca 0.51 0.38 -0.01 0.00 -0.11 0.00 0.00 54.58 55.35 1x47 n ASN 14 Cb 0.38 -0.76 0.01 0.00 1.24 0.00 0.00 39.78 40.65 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x47 n GLY 15 N 1.49 0.83 3.56 8.20 0.00 -1.26 -5.15 105.19 112.85 1x47 n GLY 15 Ca -0.12 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.02 3.50 0.28 1.61 -2.85 -1.26 -5.09 119.74 113.92 1x47 s LYS 16 Ca 0.13 -0.48 0.05 0.00 -1.00 0.00 0.00 55.97 54.67 1x47 s LYS 16 Cb -0.01 -2.90 -0.02 0.00 -2.06 0.00 0.00 37.83 32.84 1x47 s LYS 16 CO 0.02 0.37 0.41 -1.12 0.10 0.00 0.00 175.35 175.14 1x47 s SER 17 N 0.02 6.17 0.14 0.03 0.01 -1.26 -4.80 113.70 114.01 1x47 s SER 17 Ca 0.01 -0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 1x47 s SER 17 Cb -0.13 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.41 1x47 s SER 17 CO 0.02 -0.23 1.50 -0.33 0.41 0.00 0.00 173.24 174.61 1x47 h GLU 18 N 1.03 -0.13 -1.25 12.44 3.07 -1.97 1.67 114.58 129.43 1x47 h GLU 18 Ca -0.49 0.01 0.38 0.00 -0.50 0.00 0.00 59.36 58.76 1x47 h GLU 18 Cb 1.24 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 29.07 1x47 h GLU 18 CO 0.58 -0.09 0.83 -0.39 -1.40 0.00 0.00 179.01 178.54 1x47 h VAL 19 N -0.13 0.27 0.07 3.13 -1.51 -1.87 0.61 116.25 116.83 1x47 h VAL 19 Ca 0.12 -0.06 -0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1x47 h VAL 19 Cb 0.44 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 1x47 h VAL 19 CO -0.75 0.03 -0.04 0.00 -1.23 0.00 0.00 177.57 175.59 1x47 h ILE 21 N -0.98 0.00 -0.96 0.00 2.04 0.50 0.53 117.51 118.64 1x47 h ILE 21 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.12 1x47 h ILE 21 Cb 0.41 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.32 1x47 h ILE 21 CO 0.02 0.00 0.09 0.25 0.00 0.00 0.00 178.15 178.50 1x47 h LEU 22 N -0.20 -0.36 0.89 1.44 7.12 -0.11 0.33 115.31 124.42 1x47 h LEU 22 Ca 0.05 0.26 -0.04 0.00 0.13 0.00 0.00 57.88 58.28 1x47 h LEU 22 Cb 0.34 0.44 0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1x47 h LEU 22 CO -0.38 -0.33 -0.43 -0.74 -0.13 0.00 0.00 178.44 176.43 1x47 h HIS 23 N 0.04 -1.11 0.00 1.25 2.76 -0.30 -0.80 115.15 116.98 1x47 h HIS 23 Ca 0.60 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 1x47 h HIS 23 Cb 1.26 0.37 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1x47 h HIS 23 CO -0.43 -0.69 0.00 0.39 -1.30 0.00 0.00 177.93 175.90 1x47 n GLU 24 N -5.60 0.00 -0.29 5.26 -0.58 0.15 0.14 120.64 119.72 1x47 n GLU 24 Ca -0.16 0.89 0.10 0.00 -0.42 0.00 0.00 57.16 57.58 1x47 n GLU 24 Cb 0.48 -1.42 0.23 0.00 -0.57 0.00 0.00 31.44 30.16 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 0.06 0.50 -0.32 5.03 -1.26 1.60 116.97 122.58 1x47 h TYR 25 Ca 0.00 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1x47 h TYR 25 Cb 0.00 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1x47 h TYR 25 CO -0.74 -0.29 -0.30 0.52 -1.32 0.00 0.00 178.16 176.03 1x47 h MET 26 N 0.11 -0.73 0.00 1.82 2.86 0.71 1.50 114.93 121.19 1x47 h MET 26 Ca 0.50 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.19 1x47 h MET 26 Cb 0.97 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1x47 h MET 26 CO -0.74 -0.49 0.00 0.94 1.06 0.00 0.00 176.91 177.68 1x47 n GLN 27 N -5.44 0.34 -0.10 1.72 7.27 0.38 0.21 117.38 121.76 1x47 n GLN 27 Ca -0.12 0.08 -0.21 0.00 0.07 0.00 0.00 57.00 56.83 1x47 n GLN 27 Cb 0.34 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.36 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 -1.24 0.67 -0.12 3.69 0.63 0.53 -3.35 116.66 117.46 1x47 n ARG 28 Ca 0.10 0.22 -0.26 0.00 -0.92 0.00 0.00 57.85 57.00 1x47 n ARG 28 Cb 0.15 -1.58 -0.11 0.00 0.45 0.00 0.00 32.46 31.37 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 -3.51 1.54 -0.04 5.15 0.24 0.50 -4.61 118.33 117.60 1x47 n VAL 29 Ca -0.43 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.34 61.34 1x47 n VAL 29 Cb 0.97 -1.84 -0.13 0.00 -1.47 0.00 0.00 33.84 31.38 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 -0.77 0.15 -0.74 1.34 3.38 0.24 -3.49 115.31 115.42 1x47 h LEU 30 Ca -0.58 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.53 1x47 h LEU 30 Cb 1.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1x47 h LEU 30 CO -0.29 1.28 0.00 1.17 0.09 0.00 0.00 178.44 180.69 1x47 n LYS 31 N -4.37 0.00 -4.39 1.13 0.00 0.51 -4.92 118.16 106.12 1x47 n LYS 31 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 57.93 1x47 n LYS 31 Cb 0.66 -2.27 -0.09 0.00 0.00 0.00 0.00 35.03 33.32 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 -2.74 0.55 -0.26 3.15 -7.23 -1.24 -4.89 120.40 107.74 1x47 s VAL 32 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1x47 s VAL 32 Cb 0.00 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1x47 s VAL 32 CO 0.00 0.00 0.07 -0.13 -0.31 0.00 0.00 175.10 174.73 1x47 s ARG 33 N -3.83 3.52 -0.00 4.82 0.52 -1.26 -3.53 118.95 119.18 1x47 s ARG 33 Ca 0.33 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 1x47 s ARG 33 Cb 0.05 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1x47 s ARG 33 CO 0.16 -0.25 1.19 -1.25 0.02 0.00 0.00 175.30 175.17 1x47 s PRO 34 N 1.59 4.39 -0.17 3.54 0.04 -1.26 -4.52 135.00 138.60 1x47 s PRO 34 Ca 0.06 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1x47 s PRO 34 Cb -0.16 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1x47 s PRO 34 CO 0.03 -0.35 0.33 0.08 0.04 0.00 0.00 177.00 177.13 1x47 s VAL 35 N 1.71 5.27 -0.34 -0.36 1.01 -0.05 -4.96 120.40 122.67 1x47 s VAL 35 Ca 0.57 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1x47 s VAL 35 Cb -0.27 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1x47 s VAL 35 CO 0.25 0.34 0.35 -0.31 0.00 0.00 0.00 175.10 175.74 1x47 s TYR 36 N 0.75 3.21 0.19 5.22 1.51 -1.26 0.48 117.35 127.44 1x47 s TYR 36 Ca 0.18 -0.05 -0.09 0.00 -1.01 0.00 0.00 57.07 56.09 1x47 s TYR 36 Cb -0.14 -2.66 -0.07 0.00 -0.11 0.00 0.00 41.96 38.99 1x47 s TYR 36 CO 0.06 -0.43 0.51 -0.80 -1.11 0.00 0.00 175.55 173.77 1x47 s ASN 37 N 1.73 6.63 -0.02 2.29 0.01 0.64 -4.88 114.94 121.35 1x47 s ASN 37 Ca 0.11 0.88 0.03 0.00 -0.71 0.00 0.00 52.86 53.17 1x47 s ASN 37 Cb -0.17 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.28 1x47 s ASN 37 CO 0.12 -0.01 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.25 1x47 s PHE 38 N -1.70 0.90 0.27 2.20 0.08 -1.26 0.18 117.98 118.65 1x47 s PHE 38 Ca 0.44 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 57.16 1x47 s PHE 38 Cb -0.12 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 1x47 s PHE 38 CO 0.21 -0.05 0.54 -0.59 -0.10 0.00 0.00 175.22 175.22 1x47 s PHE 39 N -0.02 0.35 0.59 0.36 -0.12 -0.77 -4.90 117.98 113.46 1x47 s PHE 39 Ca 0.00 -0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 56.05 1x47 s PHE 39 Cb -0.06 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 1x47 s PHE 39 CO -0.00 -1.09 0.97 -1.83 -0.05 0.00 0.00 175.22 173.22 1x47 s GLU 40 N -3.75 3.52 0.14 1.99 -1.05 -1.26 -2.32 118.70 115.97 1x47 s GLU 40 Ca 0.21 0.58 0.04 0.00 -0.15 0.00 0.00 54.97 55.65 1x47 s GLU 40 Cb -0.02 -2.15 -0.04 0.00 -0.44 0.00 0.00 34.13 31.48 1x47 s GLU 40 CO 0.10 -0.51 0.14 0.00 0.95 0.00 0.00 175.26 175.93 1x47 h GLU 42 N 2.63 0.29 -6.41 0.00 4.81 -1.93 -3.45 114.58 110.53 1x47 h GLU 42 Ca -0.47 -0.32 -0.54 0.00 -0.13 0.00 0.00 59.36 57.89 1x47 h GLU 42 Cb 1.19 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1x47 h GLU 42 CO 0.65 1.02 -0.05 -0.80 -0.73 0.00 0.00 179.01 179.09 1x47 s ASN 43 N -7.00 6.81 0.37 1.04 -0.87 -1.26 -4.97 114.94 109.06 1x47 s ASN 43 Ca -0.04 1.11 0.27 0.00 -1.57 0.00 0.00 52.86 52.62 1x47 s ASN 43 Cb 0.09 -2.30 0.88 0.00 -0.02 0.00 0.00 41.25 39.91 1x47 s ASN 43 CO 0.85 0.04 1.77 1.55 -2.57 0.00 0.00 177.10 178.74 1x47 h PRO 44 N 3.25 0.00 0.20 -0.60 0.13 -2.01 -3.31 132.00 129.66 1x47 h PRO 44 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x47 h PRO 44 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1x47 h PRO 44 CO 0.66 0.00 -0.31 0.77 -0.23 0.00 0.00 178.00 178.89 1x47 h SER 45 N 0.00 -0.90 -3.91 1.44 0.02 -1.97 -3.36 113.55 104.87 1x47 h SER 45 Ca 0.00 0.08 -0.63 0.00 -0.84 0.00 0.00 61.79 60.40 1x47 h SER 45 Cb 0.65 0.31 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 1x47 h SER 45 CO 0.00 -0.38 -0.69 -1.61 -1.14 0.00 0.00 176.83 173.02 1x47 s GLU 46 N -4.69 1.59 0.45 3.45 2.02 -1.24 -4.73 118.70 115.55 1x47 s GLU 46 Ca -0.10 -2.21 0.25 0.00 0.02 0.00 0.00 54.97 52.92 1x47 s GLU 46 Cb 0.03 -2.89 0.73 0.00 0.10 0.00 0.00 34.13 32.10 1x47 s GLU 46 CO 0.36 -1.09 1.74 -1.00 0.02 0.00 0.00 175.26 175.29 1x47 h PRO 47 N 6.84 0.00 -6.23 0.39 0.13 -1.69 -3.40 132.00 128.03 1x47 h PRO 47 Ca -0.06 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.50 1x47 h PRO 47 Cb 0.93 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 1x47 h PRO 47 CO 0.58 0.14 0.79 -0.06 -0.23 0.00 0.00 178.00 179.23 1x47 s PHE 48 N -3.42 2.67 0.09 1.56 0.40 -1.19 -2.29 117.98 115.81 1x47 s PHE 48 Ca 0.03 0.19 0.10 0.00 -0.60 0.00 0.00 56.93 56.64 1x47 s PHE 48 Cb 0.08 -4.32 -0.03 0.00 0.51 0.00 0.00 43.02 39.25 1x47 s PHE 48 CO 0.64 -1.51 -0.25 0.20 0.70 0.00 0.00 175.22 175.00 1x47 s GLY 49 N 2.96 1.41 -0.02 4.36 0.00 -0.98 -0.38 107.32 114.67 1x47 s GLY 49 Ca 0.37 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.63 1x47 s GLY 49 CO 0.22 -1.27 0.29 0.00 0.00 0.00 0.00 173.10 172.34 1x47 s ALA 50 N -0.96 -0.72 0.26 3.20 0.00 -0.37 -1.85 121.76 121.32 1x47 s ALA 50 Ca 0.11 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1x47 s ALA 50 Cb -0.10 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1x47 s ALA 50 CO 0.04 -0.24 -0.00 -1.54 0.00 0.00 0.00 175.76 174.01 1x47 s SER 51 N -1.22 2.15 -0.40 0.00 1.04 0.48 -1.47 113.70 114.29 1x47 s SER 51 Ca -0.13 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.10 1x47 s SER 51 Cb -0.05 -0.05 0.11 0.00 0.10 0.00 0.00 66.02 66.13 1x47 s SER 51 CO 0.04 -0.49 0.13 -0.69 0.98 0.00 0.00 173.24 173.20 1x47 s VAL 52 N -3.30 2.27 -0.16 5.02 1.01 -0.73 -0.26 120.40 124.25 1x47 s VAL 52 Ca 0.30 -2.62 -0.20 0.00 0.00 0.00 0.00 61.98 59.47 1x47 s VAL 52 Cb 0.06 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1x47 s VAL 52 CO 0.11 -0.68 0.56 0.42 0.00 0.00 0.00 175.10 175.51 1x47 s THR 53 N 0.53 5.10 -0.52 3.92 -4.23 0.18 -2.74 115.64 117.88 1x47 s THR 53 Ca 0.13 1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 61.57 1x47 s THR 53 Cb -0.21 -3.89 0.12 0.00 1.34 0.00 0.00 72.50 69.85 1x47 s THR 53 CO -0.06 0.21 0.47 -0.63 -0.54 0.00 0.00 174.62 174.07 1x47 s ILE 54 N 1.34 5.18 -0.60 2.99 1.01 0.50 -0.87 121.20 130.74 1x47 s ILE 54 Ca 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1x47 s ILE 54 Cb -0.16 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.04 1x47 s ILE 54 CO 0.11 -0.80 0.00 -0.67 0.00 0.00 0.00 174.94 173.58 1x47 n ASP 55 N 5.23 -4.65 0.00 3.58 2.03 -1.26 -1.25 116.55 120.23 1x47 n ASP 55 Ca -0.13 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1x47 n ASP 55 Cb 0.41 -2.64 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 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 -1.01 0.71 3.62 0.27 0.00 -1.26 -5.07 105.19 102.44 1x47 n GLY 56 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 5.21 0.61 1.61 1.01 -0.38 -4.98 120.40 121.48 1x47 s VAL 57 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 1x47 s VAL 57 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1x47 s VAL 57 CO 0.00 0.20 1.13 -0.89 0.00 0.00 0.00 175.10 175.54 1x47 s THR 58 N 1.84 3.14 0.00 3.92 2.01 -1.26 0.19 115.64 125.48 1x47 s THR 58 Ca 0.14 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1x47 s THR 58 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1x47 s THR 58 CO 0.09 -0.24 0.00 -1.22 -0.69 0.00 0.00 174.62 172.56 1x47 n TYR 59 N -1.90 -0.02 -4.53 4.92 4.02 -1.11 -4.83 117.16 113.72 1x47 n TYR 59 Ca 0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 1x47 n TYR 59 Cb 0.51 0.05 -0.15 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 -2.02 1.50 0.07 2.72 0.00 -1.26 -4.79 107.32 103.53 1x47 s GLY 60 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1x47 s GLY 60 CO 0.00 0.01 -0.02 -1.35 0.00 0.00 0.00 173.10 171.75 1x47 s SER 61 N 0.77 0.53 0.03 1.64 1.04 -1.26 -1.78 113.70 114.67 1x47 s SER 61 Ca -0.06 -1.04 -0.28 0.00 0.48 0.00 0.00 55.95 55.05 1x47 s SER 61 Cb -0.15 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.28 1x47 s SER 61 CO 0.01 -0.61 1.20 -0.83 0.98 0.00 0.00 173.24 173.98 1x47 s GLY 62 N -2.96 -0.32 0.39 7.32 0.00 -0.54 -4.74 107.32 106.47 1x47 s GLY 62 Ca 0.11 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.32 1x47 s GLY 62 CO -0.07 0.66 0.05 -0.51 0.00 0.00 0.00 173.10 173.23 1x47 s THR 63 N -2.58 1.26 0.15 0.90 -4.23 -1.26 -1.24 115.64 108.65 1x47 s THR 63 Ca 0.15 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1x47 s THR 63 Cb 0.03 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1x47 s THR 63 CO -0.02 0.00 0.74 0.00 -0.54 0.00 0.00 174.62 174.81 1x47 n ALA 64 N -0.88 -1.92 0.15 3.99 0.00 0.48 -4.59 120.51 117.75 1x47 n ALA 64 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.63 1x47 n ALA 64 Cb 0.66 0.46 0.15 0.00 0.00 0.00 0.00 19.45 20.72 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 1.46 0.00 -0.81 0.00 0.87 -1.84 -3.14 113.55 110.08 1x47 h SER 65 Ca -0.21 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.70 1x47 h SER 65 Cb 0.89 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.72 1x47 h SER 65 CO 0.27 0.52 -0.53 -0.55 -0.53 0.00 0.00 176.83 176.01 1x47 s SER 66 N -6.50 4.09 -0.11 6.23 0.15 -1.26 -4.75 113.70 111.55 1x47 s SER 66 Ca 0.02 -1.53 -0.28 0.00 0.70 0.00 0.00 55.95 54.85 1x47 s SER 66 Cb 0.10 0.20 -0.25 0.00 -1.71 0.00 0.00 66.02 64.36 1x47 s SER 66 CO 0.73 -0.73 0.89 0.50 1.20 0.00 0.00 173.24 175.82 1x47 h LYS 67 N 1.45 0.00 -0.22 5.44 3.64 -1.89 -3.19 116.57 121.80 1x47 h LYS 67 Ca -0.44 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1x47 h LYS 67 Cb 1.29 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1x47 h LYS 67 CO 0.75 0.88 -0.50 0.87 -2.27 0.00 0.00 179.45 179.19 1x47 h LYS 68 N -0.88 -0.44 -0.97 1.90 1.57 -1.98 0.82 116.57 116.59 1x47 h LYS 68 Ca -0.00 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1x47 h LYS 68 Cb 0.88 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.17 1x47 h LYS 68 CO 0.00 -0.29 -0.58 -0.07 -0.57 0.00 0.00 179.45 177.94 1x47 h LEU 69 N -0.46 -2.12 -0.45 2.94 -0.00 -1.98 1.56 115.31 114.80 1x47 h LEU 69 Ca 0.04 0.32 0.08 0.00 -0.00 0.00 0.00 57.88 58.32 1x47 h LEU 69 Cb 0.58 0.94 -0.10 0.00 -0.00 0.00 0.00 40.66 42.08 1x47 h LEU 69 CO -0.45 -0.23 -0.40 0.00 -0.00 0.00 0.00 178.44 177.36 1x47 h ALA 70 N 0.46 -0.32 -0.33 1.53 0.00 -1.26 1.53 119.26 120.87 1x47 h ALA 70 Ca 0.16 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1x47 h ALA 70 Cb 0.40 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1x47 h ALA 70 CO -0.92 -0.81 -0.00 -0.22 0.00 0.00 0.00 179.25 177.30 1x47 h LYS 71 N -0.28 0.09 -0.11 0.00 3.64 0.20 1.24 116.57 121.35 1x47 h LYS 71 Ca 0.16 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1x47 h LYS 71 Cb 0.57 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1x47 h LYS 71 CO -0.60 0.06 -0.08 -0.97 -2.27 0.00 0.00 179.45 175.59 1x47 h ASN 72 N 0.09 -0.25 -0.08 4.20 -1.24 0.45 0.23 115.58 118.98 1x47 h ASN 72 Ca 0.16 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1x47 h ASN 72 Cb 0.22 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 1x47 h ASN 72 CO -0.27 -0.11 0.04 0.11 -1.29 0.00 0.00 177.43 175.92 1x47 h LYS 73 N -0.08 0.09 -0.42 6.67 1.57 0.29 1.42 116.57 126.10 1x47 h LYS 73 Ca 0.07 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1x47 h LYS 73 Cb 0.19 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1x47 h LYS 73 CO -0.17 0.06 -0.16 0.00 -0.57 0.00 0.00 179.45 178.61 1x47 h ALA 74 N 1.03 0.18 -0.17 3.86 0.00 0.21 1.48 119.26 125.86 1x47 h ALA 74 Ca 0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1x47 h ALA 74 Cb -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x47 h ALA 74 CO -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 178.68 1x47 h ALA 75 N 1.28 0.23 -0.63 0.00 0.00 -0.13 -1.76 119.26 118.25 1x47 h ALA 75 Ca 0.21 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1x47 h ALA 75 Cb 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1x47 h ALA 75 CO -0.47 -0.01 0.42 -0.09 0.00 0.00 0.00 179.25 179.11 1x47 h ARG 76 N 0.03 0.42 0.19 0.00 2.43 0.31 -1.20 114.38 116.57 1x47 h ARG 76 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1x47 h ARG 76 Cb 0.47 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1x47 h ARG 76 CO 0.02 0.28 -0.09 0.00 -1.51 0.00 0.00 179.97 178.66 1x47 h ALA 77 N 1.68 -0.64 -0.97 2.80 0.00 0.23 -2.52 119.26 119.85 1x47 h ALA 77 Ca 0.30 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.49 1x47 h ALA 77 Cb 0.57 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.29 1x47 h ALA 77 CO -0.09 -0.62 0.28 2.41 0.00 0.00 0.00 179.25 181.23 1x47 n THR 78 N -3.09 -0.41 0.18 0.00 -1.04 -0.69 -0.18 114.28 109.06 1x47 n THR 78 Ca -0.03 2.05 -0.09 0.00 -2.04 0.00 0.00 64.05 63.93 1x47 n THR 78 Cb 0.10 -3.16 -0.05 0.00 -1.82 0.00 0.00 70.33 65.41 1x47 n THR 78 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x47 h LEU 79 N 0.00 -0.67 -0.98 -4.42 3.38 -1.22 -1.91 115.31 109.49 1x47 h LEU 79 Ca 0.71 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.89 1x47 h LEU 79 Cb 1.71 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 42.50 1x47 h LEU 79 CO -0.83 -0.35 -0.35 -0.62 0.09 0.00 0.00 178.44 176.38 1x47 n GLU 80 N -3.87 -0.19 -0.17 1.13 1.02 0.75 0.18 120.64 119.49 1x47 n GLU 80 Ca -0.07 1.52 -0.06 0.00 -0.02 0.00 0.00 57.16 58.53 1x47 n GLU 80 Cb 0.24 -2.26 -0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1x47 n GLU 80 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1x47 h ILE 81 N 0.00 0.20 0.56 -3.67 2.04 -1.01 -2.55 117.51 113.08 1x47 h ILE 81 Ca 0.38 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.21 1x47 h ILE 81 Cb 0.62 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1x47 h ILE 81 CO -0.99 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 176.82 1x47 h LEU 82 N -0.20 -0.64 -8.63 1.44 3.38 0.11 -3.40 115.31 107.37 1x47 h LEU 82 Ca 0.21 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 57.53 1x47 h LEU 82 Cb 0.54 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.29 1x47 h LEU 82 CO -0.62 -0.28 -0.07 -0.63 0.09 0.00 0.00 178.44 176.93 1x47 s ILE 83 N -4.06 4.99 0.22 1.22 1.01 0.49 -4.92 121.20 120.15 1x47 s ILE 83 Ca -0.11 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.64 1x47 s ILE 83 Cb 0.01 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1x47 s ILE 83 CO 0.33 -0.40 1.50 1.55 0.00 0.00 0.00 174.94 177.92 1x47 h PRO 84 N 8.68 0.00 -2.45 2.79 0.13 -1.76 -3.31 132.00 136.08 1x47 h PRO 84 Ca -0.27 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 1x47 h PRO 84 Cb 1.11 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 1x47 h PRO 84 CO 0.81 0.74 -0.68 -0.40 -0.23 0.00 0.00 178.00 178.25 1x47 n ASP 85 N -3.64 2.78 -0.11 1.44 5.75 -1.26 -4.87 116.55 116.63 1x47 n ASP 85 Ca -0.01 -3.20 -0.24 0.00 -0.01 0.00 0.00 54.79 51.33 1x47 n ASP 85 Cb 0.73 -0.68 -0.11 0.00 -1.03 0.00 0.00 41.12 40.02 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1x47 n PHE 86 N 1.40 0.71 -1.75 2.11 7.35 -1.26 -4.97 117.46 121.05 1x47 n PHE 86 Ca 0.26 0.31 -0.30 0.00 -0.76 0.00 0.00 57.45 56.95 1x47 n PHE 86 Cb 0.41 -1.06 0.21 0.00 0.35 0.00 0.00 39.48 39.39 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 -2.41 1.90 -0.43 -2.13 -7.23 -1.26 -5.05 120.40 103.79 1x47 s VAL 87 Ca -0.32 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1x47 s VAL 87 Cb 0.08 -2.89 0.22 0.00 0.56 0.00 0.00 36.38 34.36 1x47 s VAL 87 CO 0.55 0.00 0.58 0.29 -0.31 0.00 0.00 175.10 176.21 1x47 n LYS 88 N -4.03 0.58 -2.19 4.82 5.02 -1.26 -5.02 118.16 116.08 1x47 n LYS 88 Ca 0.16 -2.77 -0.01 0.00 -2.02 0.00 0.00 58.31 53.66 1x47 n LYS 88 Cb 0.59 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.19 1x47 n LYS 88 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1x47 n GLN 89 N 1.97 -2.34 -3.40 1.97 7.27 -1.26 -5.08 117.38 116.50 1x47 n GLN 89 Ca 0.20 2.02 0.02 0.00 0.07 0.00 0.00 57.00 59.31 1x47 n GLN 89 Cb 0.54 -3.55 -0.03 0.00 2.41 0.00 0.00 30.24 29.62 1x47 n GLN 89 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1x47 s THR 90 N -0.76 -0.85 -0.24 1.69 -1.32 -1.26 -5.03 115.64 107.87 1x47 s THR 90 Ca -0.06 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.25 1x47 s THR 90 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1x47 s THR 90 CO 0.47 0.00 0.31 -1.54 -2.21 0.00 0.00 174.62 171.65 1x47 n SER 91 N 5.36 -6.39 -4.76 8.08 3.41 -1.26 -4.93 113.62 113.14 1x47 n SER 91 Ca -0.08 0.29 -0.35 0.00 -0.26 0.00 0.00 58.87 58.47 1x47 n SER 91 Cb 0.51 -2.25 -0.08 0.00 -0.26 0.00 0.00 64.21 62.13 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 -1.76 4.05 -0.38 4.33 2.56 -1.26 -5.06 118.70 121.18 1x47 s GLU 92 Ca 0.17 -0.18 -0.25 0.00 0.00 0.00 0.00 54.97 54.71 1x47 s GLU 92 Cb -0.02 -3.37 0.01 0.00 2.00 0.00 0.00 34.13 32.75 1x47 s GLU 92 CO 0.48 0.39 0.87 0.45 -0.56 0.00 0.00 175.26 176.90 1x47 s SER 93 N 0.09 6.61 0.21 -1.70 0.15 -1.26 -5.04 113.70 112.76 1x47 s SER 93 Ca 0.10 0.43 0.06 0.00 0.70 0.00 0.00 55.95 57.23 1x47 s SER 93 Cb -0.11 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1x47 s SER 93 CO -0.00 -0.84 0.20 -0.83 1.20 0.00 0.00 173.24 172.97 1x47 s GLY 94 N 1.92 1.50 -0.06 9.45 0.00 -1.26 -5.06 107.32 113.81 1x47 s GLY 94 Ca 0.35 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1x47 s GLY 94 CO 0.19 -1.33 0.50 -0.56 0.00 0.00 0.00 173.10 171.90 1x47 h PRO 95 N 1.79 -0.28 0.39 2.90 0.13 -2.05 -3.38 132.00 131.51 1x47 h PRO 95 Ca -0.49 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1x47 h PRO 95 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1x47 h PRO 95 CO 0.62 -0.06 -0.19 1.03 -0.23 0.00 0.00 178.00 179.17 1x47 h SER 96 N -1.04 -0.45 -4.45 1.44 0.87 -2.04 -3.49 113.55 104.39 1x47 h SER 96 Ca -0.03 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1x47 h SER 96 Cb 0.35 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1x47 h SER 96 CO 0.05 -0.04 -0.91 -1.20 -0.53 0.00 0.00 176.83 174.21 1x47 n SER 97 N -5.16 -6.82 0.00 6.23 7.64 -1.26 -5.29 113.62 108.96 1x47 n SER 97 Ca -0.09 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1x47 n SER 97 Cb 0.28 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64