#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 -0.88 0.25 1.61 1.04 -1.26 -5.16 113.70 109.30 1x47 s SER 2 Ca 0.00 1.35 -0.24 0.00 0.48 0.00 0.00 55.95 57.54 1x47 s SER 2 Cb 0.00 1.56 -0.09 0.00 0.10 0.00 0.00 66.02 67.59 1x47 s SER 2 CO 0.00 -0.21 0.84 -0.94 0.98 0.00 0.00 173.24 173.91 1x47 s SER 3 N 1.89 7.30 -0.03 7.02 1.04 -1.26 -5.07 113.70 124.60 1x47 s SER 3 Ca -0.09 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.03 1x47 s SER 3 Cb -0.06 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1x47 s SER 3 CO -0.19 0.05 -0.03 -0.83 0.98 0.00 0.00 173.24 173.22 1x47 s GLY 4 N -1.47 0.32 0.46 7.32 0.00 -1.26 -5.14 107.32 107.55 1x47 s GLY 4 Ca 0.44 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.92 1x47 s GLY 4 CO 0.24 0.28 0.98 -1.35 0.00 0.00 0.00 173.10 173.26 1x47 s SER 5 N 0.61 6.72 0.15 1.64 1.04 -1.26 -5.07 113.70 117.53 1x47 s SER 5 Ca -0.07 1.72 -0.18 0.00 0.48 0.00 0.00 55.95 57.91 1x47 s SER 5 Cb -0.10 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.52 1x47 s SER 5 CO -0.00 -0.52 0.47 -0.44 0.98 0.00 0.00 173.24 173.73 1x47 s SER 6 N -2.31 -0.31 0.13 7.02 0.01 -1.26 -5.07 113.70 111.92 1x47 s SER 6 Ca 0.63 -0.29 -0.31 0.00 1.31 0.00 0.00 55.95 57.28 1x47 s SER 6 Cb -0.11 0.53 -0.08 0.00 0.21 0.00 0.00 66.02 66.57 1x47 s SER 6 CO 0.18 -0.93 1.56 1.23 0.41 0.00 0.00 173.24 175.70 1x47 h GLY 7 N 2.25 -0.87 -5.18 3.44 0.00 -2.10 -3.47 103.07 97.13 1x47 h GLY 7 Ca -0.33 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1x47 h GLY 7 CO 0.43 -0.19 -0.81 1.18 0.00 0.00 0.00 176.54 177.15 1x47 n GLU 8 N -5.42 -3.09 -3.63 4.80 -0.58 -1.26 -5.06 120.64 106.39 1x47 n GLU 8 Ca -0.04 2.55 -0.05 0.00 -0.42 0.00 0.00 57.16 59.20 1x47 n GLU 8 Cb 0.36 -5.50 -0.06 0.00 -0.57 0.00 0.00 31.44 25.67 1x47 n GLU 8 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1x47 s PHE 9 N -2.00 -1.04 -0.57 -0.32 -0.71 -1.26 -5.10 117.98 106.98 1x47 s PHE 9 Ca 0.09 2.00 0.04 0.00 -1.04 0.00 0.00 56.93 58.02 1x47 s PHE 9 Cb -0.03 0.62 0.15 0.00 -1.21 0.00 0.00 43.02 42.55 1x47 s PHE 9 CO 0.78 -0.52 0.35 0.08 -1.34 0.00 0.00 175.22 174.57 1x47 s VAL 10 N 1.88 2.36 0.23 -2.49 1.01 -1.26 -5.10 120.40 117.03 1x47 s VAL 10 Ca -0.09 -3.51 -0.03 0.00 0.00 0.00 0.00 61.98 58.35 1x47 s VAL 10 Cb -0.06 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1x47 s VAL 10 CO -0.19 -0.92 0.12 2.30 0.00 0.00 0.00 175.10 176.41 1x47 n ILE 11 N 2.74 0.00 -3.45 2.22 -5.35 -1.26 -5.02 119.36 109.25 1x47 n ILE 11 Ca 0.13 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.35 1x47 n ILE 11 Cb 0.35 -0.14 -0.12 0.00 -1.74 0.00 0.00 39.64 37.99 1x47 n ILE 11 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1x47 s ASN 12 N -1.95 2.58 -0.08 7.28 2.47 -1.26 -5.01 114.94 118.98 1x47 s ASN 12 Ca 0.09 -1.70 -0.22 0.00 0.42 0.00 0.00 52.86 51.45 1x47 s ASN 12 Cb -0.02 -0.09 -0.18 0.00 -1.45 0.00 0.00 41.25 39.52 1x47 s ASN 12 CO 0.08 -0.34 0.83 1.55 -3.72 0.00 0.00 177.10 175.50 1x47 h PRO 13 N 7.48 -0.10 0.00 0.43 0.13 -2.01 -3.48 132.00 134.45 1x47 h PRO 13 Ca -0.02 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1x47 h PRO 13 Cb 1.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x47 h PRO 13 CO 0.30 0.46 0.00 -1.71 -0.23 0.00 0.00 178.00 176.82 1x47 n ASN 14 N -4.81 -0.69 -4.67 1.44 5.15 -1.26 -5.14 115.26 105.28 1x47 n ASN 14 Ca -0.08 0.17 -0.24 0.00 -0.60 0.00 0.00 54.58 53.84 1x47 n ASN 14 Cb 0.30 0.97 -0.07 0.00 -0.53 0.00 0.00 39.78 40.44 1x47 n ASN 14 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1x47 s GLY 15 N -2.00 1.65 0.68 8.20 0.00 -1.26 -5.13 107.32 109.46 1x47 s GLY 15 Ca 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 1x47 s GLY 15 CO 0.00 -1.59 1.07 0.54 0.00 0.00 0.00 173.10 173.11 1x47 s LYS 16 N -3.47 3.08 0.42 2.90 3.01 -1.26 -4.98 119.74 119.44 1x47 s LYS 16 Ca 0.30 0.62 0.04 0.00 -1.01 0.00 0.00 55.97 55.93 1x47 s LYS 16 Cb -0.07 -2.03 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 1x47 s LYS 16 CO 0.20 -0.92 0.60 -1.12 0.51 0.00 0.00 175.35 174.62 1x47 s SER 17 N -4.21 5.76 0.08 2.83 0.01 -1.26 -4.85 113.70 112.06 1x47 s SER 17 Ca 0.57 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.50 1x47 s SER 17 Cb -0.12 -1.15 -0.11 0.00 0.21 0.00 0.00 66.02 64.85 1x47 s SER 17 CO 0.53 -0.69 1.42 -0.08 0.41 0.00 0.00 173.24 174.84 1x47 h GLU 18 N 0.57 -0.57 -0.96 12.44 4.57 -1.97 1.36 114.58 130.02 1x47 h GLU 18 Ca -0.44 0.04 0.30 0.00 -1.18 0.00 0.00 59.36 58.08 1x47 h GLU 18 Cb 1.27 0.13 -0.16 0.00 -0.16 0.00 0.00 28.75 29.83 1x47 h GLU 18 CO 0.52 -0.38 0.35 -0.39 -1.18 0.00 0.00 179.01 177.94 1x47 h VAL 19 N -0.59 0.19 0.40 0.32 -1.51 -1.84 1.20 116.25 114.41 1x47 h VAL 19 Ca -0.01 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.39 1x47 h VAL 19 Cb 0.59 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1x47 h VAL 19 CO -0.21 0.03 -0.19 0.00 -1.23 0.00 0.00 177.57 175.97 1x47 h ILE 21 N -0.95 0.00 -0.97 0.00 2.04 0.56 0.69 117.51 118.87 1x47 h ILE 21 Ca -0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.03 1x47 h ILE 21 Cb 0.55 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.45 1x47 h ILE 21 CO 0.09 0.00 -0.14 0.25 0.00 0.00 0.00 178.15 178.35 1x47 h LEU 22 N -0.48 -0.73 0.42 1.44 7.12 0.12 0.45 115.31 123.65 1x47 h LEU 22 Ca 0.04 0.28 -0.02 0.00 0.13 0.00 0.00 57.88 58.31 1x47 h LEU 22 Cb 0.60 0.55 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1x47 h LEU 22 CO -0.44 -0.33 -0.20 -0.74 -0.13 0.00 0.00 178.44 176.60 1x47 h HIS 23 N 0.01 -0.53 -0.30 1.25 2.76 -0.39 -0.14 115.15 117.81 1x47 h HIS 23 Ca 0.51 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.70 1x47 h HIS 23 Cb 0.89 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 1x47 h HIS 23 CO -0.65 -0.25 -0.26 1.49 -1.30 0.00 0.00 177.93 176.96 1x47 h GLU 24 N -0.72 -0.11 -1.00 5.26 4.81 0.46 0.94 114.58 124.23 1x47 h GLU 24 Ca -0.06 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.33 1x47 h GLU 24 Cb 0.51 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.82 1x47 h GLU 24 CO 0.10 -0.07 0.62 -0.92 -0.73 0.00 0.00 179.01 178.00 1x47 h TYR 25 N -0.11 1.10 0.82 0.92 5.03 -0.78 0.44 116.97 124.39 1x47 h TYR 25 Ca 0.05 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 1x47 h TYR 25 Cb 0.24 -0.34 0.01 0.00 1.55 0.00 0.00 36.73 38.19 1x47 h TYR 25 CO -0.79 0.34 -0.39 0.52 -1.32 0.00 0.00 178.16 176.52 1x47 h MET 26 N 0.87 -1.06 0.00 1.82 2.86 0.12 0.44 114.93 119.99 1x47 h MET 26 Ca 0.54 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 1x47 h MET 26 Cb 0.69 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1x47 h MET 26 CO -0.33 -0.70 0.00 0.94 1.06 0.00 0.00 176.91 177.88 1x47 n GLN 27 N -5.55 0.16 -0.08 1.72 7.27 0.30 0.20 117.38 121.39 1x47 n GLN 27 Ca -0.15 0.18 -0.15 0.00 0.07 0.00 0.00 57.00 56.95 1x47 n GLN 27 Cb 0.44 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.50 1x47 n GLN 27 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1x47 h ARG 28 N 0.00 0.00 0.00 3.69 2.43 0.67 -3.31 114.38 117.85 1x47 h ARG 28 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1x47 h ARG 28 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1x47 h ARG 28 CO 0.00 0.77 -0.69 1.55 -1.51 0.00 0.00 179.97 180.09 1x47 n VAL 29 N -4.56 1.04 -0.24 0.20 3.14 0.07 -4.52 118.33 113.47 1x47 n VAL 29 Ca -0.18 0.25 0.08 0.00 -2.96 0.00 0.00 64.34 61.54 1x47 n VAL 29 Cb 0.48 -2.09 0.34 0.00 -1.06 0.00 0.00 33.84 31.52 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1x47 h LEU 30 N -0.69 0.70 -2.41 6.55 3.38 -0.35 -3.46 115.31 119.03 1x47 h LEU 30 Ca 0.00 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1x47 h LEU 30 Cb 0.69 -0.13 0.18 0.00 0.09 0.00 0.00 40.66 41.50 1x47 h LEU 30 CO 0.00 0.42 -0.86 1.17 0.09 0.00 0.00 178.44 179.26 1x47 n LYS 31 N -4.51 -2.76 -3.62 1.13 0.00 0.53 -4.92 118.16 104.02 1x47 n LYS 31 Ca 0.14 0.82 -0.16 0.00 0.00 0.00 0.00 58.31 59.11 1x47 n LYS 31 Cb 0.32 -5.65 -0.07 0.00 0.00 0.00 0.00 35.03 29.63 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 -3.40 0.01 -0.35 3.15 -7.23 -1.25 -4.93 120.40 106.41 1x47 s VAL 32 Ca 0.39 -0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.21 1x47 s VAL 32 Cb -0.06 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 36.02 1x47 s VAL 32 CO 0.75 -0.06 0.88 -0.13 -0.31 0.00 0.00 175.10 176.23 1x47 s ARG 33 N -0.78 3.88 0.48 4.82 0.52 -1.26 -3.91 118.95 122.70 1x47 s ARG 33 Ca -0.08 0.58 -0.20 0.00 -0.52 0.00 0.00 55.73 55.50 1x47 s ARG 33 Cb -0.02 -3.78 -0.09 0.00 0.52 0.00 0.00 34.95 31.58 1x47 s ARG 33 CO 0.06 -0.85 1.04 -1.25 0.02 0.00 0.00 175.30 174.32 1x47 s PRO 34 N 3.28 3.82 -0.09 3.54 0.04 -1.26 -4.57 135.00 139.76 1x47 s PRO 34 Ca 0.36 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1x47 s PRO 34 Cb -0.13 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1x47 s PRO 34 CO 0.16 -0.42 -0.09 0.08 0.04 0.00 0.00 177.00 176.77 1x47 s VAL 35 N -1.96 3.45 -0.47 -0.36 1.01 0.63 -4.99 120.40 117.70 1x47 s VAL 35 Ca 0.67 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1x47 s VAL 35 Cb -0.17 -2.42 0.08 0.00 0.00 0.00 0.00 36.38 33.87 1x47 s VAL 35 CO 0.20 0.57 0.39 -0.31 0.00 0.00 0.00 175.10 175.95 1x47 s TYR 36 N -0.37 3.25 -0.00 5.22 2.02 -1.26 0.57 117.35 126.78 1x47 s TYR 36 Ca 0.05 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.59 1x47 s TYR 36 Cb -0.12 -3.18 -0.06 0.00 -0.40 0.00 0.00 41.96 38.20 1x47 s TYR 36 CO 0.02 -0.81 0.49 -0.80 -1.57 0.00 0.00 175.55 172.88 1x47 s ASN 37 N 2.61 6.88 0.24 2.29 0.01 0.94 -4.92 114.94 122.99 1x47 s ASN 37 Ca 0.04 1.04 0.08 0.00 -0.71 0.00 0.00 52.86 53.31 1x47 s ASN 37 Cb -0.24 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1x47 s ASN 37 CO 0.06 0.22 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.38 1x47 s PHE 38 N -0.66 1.89 0.32 2.20 0.40 -1.26 0.14 117.98 121.02 1x47 s PHE 38 Ca 0.26 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 1x47 s PHE 38 Cb -0.17 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1x47 s PHE 38 CO 0.15 0.43 0.74 -0.59 0.70 0.00 0.00 175.22 176.65 1x47 s PHE 39 N -2.87 -0.04 -0.05 0.36 -0.12 -1.22 -4.97 117.98 109.07 1x47 s PHE 39 Ca 0.26 -0.51 -0.15 0.00 -0.05 0.00 0.00 56.93 56.47 1x47 s PHE 39 Cb -0.01 0.75 -0.05 0.00 -0.63 0.00 0.00 43.02 43.08 1x47 s PHE 39 CO 0.10 -1.37 0.40 -1.21 -0.05 0.00 0.00 175.22 173.08 1x47 s GLU 40 N -3.24 4.04 0.16 1.99 2.02 -1.26 -4.18 118.70 118.23 1x47 s GLU 40 Ca 0.13 0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.57 1x47 s GLU 40 Cb -0.05 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 1x47 s GLU 40 CO 0.09 0.52 -0.10 0.00 0.02 0.00 0.00 175.26 175.79 1x47 n GLU 42 N 0.23 3.01 -5.12 0.00 0.00 -1.26 -4.85 120.64 112.65 1x47 n GLU 42 Ca -0.12 -3.61 -0.32 0.00 0.00 0.00 0.00 57.16 53.12 1x47 n GLU 42 Cb 0.55 -2.29 -0.15 0.00 0.00 0.00 0.00 31.44 29.55 1x47 n GLU 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1x47 s ASN 43 N -2.41 3.44 -0.07 4.31 0.01 -1.26 -5.04 114.94 113.92 1x47 s ASN 43 Ca 0.60 -0.39 -0.20 0.00 -0.71 0.00 0.00 52.86 52.15 1x47 s ASN 43 Cb 0.47 -0.80 -0.16 0.00 0.41 0.00 0.00 41.25 41.17 1x47 s ASN 43 CO -0.01 0.28 0.77 1.55 -1.51 0.00 0.00 177.10 178.18 1x47 h PRO 44 N 5.79 -0.13 -0.78 -0.60 0.13 -1.97 -2.34 132.00 132.09 1x47 h PRO 44 Ca -0.38 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1x47 h PRO 44 Cb 1.16 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1x47 h PRO 44 CO 0.49 0.36 -0.55 0.77 -0.23 0.00 0.00 178.00 178.84 1x47 h SER 45 N -0.89 -1.95 -3.10 1.44 0.02 -1.98 -3.31 113.55 103.79 1x47 h SER 45 Ca -0.01 0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 60.64 1x47 h SER 45 Cb 0.56 0.86 -0.40 0.00 0.14 0.00 0.00 62.40 63.55 1x47 h SER 45 CO 0.02 -0.30 -0.78 -1.61 -1.14 0.00 0.00 176.83 173.02 1x47 s GLU 46 N -5.62 0.89 0.31 3.45 2.02 -1.25 -4.49 118.70 114.01 1x47 s GLU 46 Ca -0.13 -1.55 0.16 0.00 0.02 0.00 0.00 54.97 53.47 1x47 s GLU 46 Cb 0.11 -1.86 0.40 0.00 0.10 0.00 0.00 34.13 32.88 1x47 s GLU 46 CO 0.63 -1.14 1.60 -1.00 0.02 0.00 0.00 175.26 175.37 1x47 h PRO 47 N 7.13 0.00 -5.93 0.39 0.13 -1.51 -3.42 132.00 128.79 1x47 h PRO 47 Ca -0.02 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.52 1x47 h PRO 47 Cb 0.96 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 1x47 h PRO 47 CO 0.40 0.49 0.59 -0.06 -0.23 0.00 0.00 178.00 179.19 1x47 s PHE 48 N -3.35 3.27 0.05 1.56 0.40 -1.21 -3.29 117.98 115.41 1x47 s PHE 48 Ca 0.01 1.15 0.04 0.00 -0.60 0.00 0.00 56.93 57.53 1x47 s PHE 48 Cb 0.10 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.37 1x47 s PHE 48 CO 0.72 -0.51 -0.11 0.20 0.70 0.00 0.00 175.22 176.22 1x47 s GLY 49 N 1.42 0.68 0.09 4.36 0.00 -1.26 -0.67 107.32 111.95 1x47 s GLY 49 Ca 0.38 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 44.17 1x47 s GLY 49 CO 0.09 -0.87 0.20 0.00 0.00 0.00 0.00 173.10 172.52 1x47 s ALA 50 N -1.19 -0.22 0.04 3.20 0.00 -0.11 -3.39 121.76 120.10 1x47 s ALA 50 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1x47 s ALA 50 Cb -0.09 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1x47 s ALA 50 CO 0.01 -0.52 -0.06 -1.54 0.00 0.00 0.00 175.76 173.66 1x47 s SER 51 N -2.86 0.66 -0.29 0.00 1.04 0.38 -1.43 113.70 111.20 1x47 s SER 51 Ca 0.05 -0.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 1x47 s SER 51 Cb 0.05 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1x47 s SER 51 CO -0.11 -0.31 0.11 -0.69 0.98 0.00 0.00 173.24 173.22 1x47 s VAL 52 N -1.94 4.33 -0.22 5.02 1.01 0.16 -0.04 120.40 128.71 1x47 s VAL 52 Ca -0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1x47 s VAL 52 Cb -0.06 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1x47 s VAL 52 CO -0.02 0.16 0.03 0.42 0.00 0.00 0.00 175.10 175.69 1x47 s THR 53 N 1.58 4.13 -0.43 3.92 -4.23 0.19 -1.79 115.64 119.01 1x47 s THR 53 Ca 0.05 -0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1x47 s THR 53 Cb -0.16 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1x47 s THR 53 CO 0.04 0.40 0.35 -0.63 -0.54 0.00 0.00 174.62 174.24 1x47 s ILE 54 N 1.18 5.23 -2.00 2.99 1.01 0.45 -0.27 121.20 129.79 1x47 s ILE 54 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1x47 s ILE 54 Cb -0.14 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1x47 s ILE 54 CO 0.02 -0.42 0.00 -0.67 0.00 0.00 0.00 174.94 173.87 1x47 n ASP 55 N 5.23 -5.28 0.00 3.58 2.03 -1.26 -0.06 116.55 120.79 1x47 n ASP 55 Ca -0.11 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1x47 n ASP 55 Cb 0.46 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.41 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 -0.66 0.60 3.55 0.27 0.00 -1.26 -5.06 105.19 102.63 1x47 n GLY 56 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.08 4.89 0.24 1.61 1.01 0.92 -5.01 120.40 121.97 1x47 s VAL 57 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1x47 s VAL 57 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1x47 s VAL 57 CO 0.00 0.31 1.27 -0.89 0.00 0.00 0.00 175.10 175.80 1x47 s THR 58 N 1.49 3.17 0.00 3.92 2.01 -1.26 0.17 115.64 125.14 1x47 s THR 58 Ca 0.06 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1x47 s THR 58 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1x47 s THR 58 CO 0.07 0.19 0.00 -1.22 -0.69 0.00 0.00 174.62 172.96 1x47 n TYR 59 N 2.06 0.00 -4.55 4.92 4.02 -0.74 -4.89 117.16 117.97 1x47 n TYR 59 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.59 1x47 n TYR 59 Cb 0.43 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.70 1.72 0.21 2.72 0.00 -1.25 -4.80 107.32 104.22 1x47 s GLY 60 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1x47 s GLY 60 CO 0.00 -0.56 0.38 -0.45 0.00 0.00 0.00 173.10 172.47 1x47 s SER 61 N -0.64 -0.04 0.00 1.64 0.15 -1.25 -0.67 113.70 112.90 1x47 s SER 61 Ca 0.10 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1x47 s SER 61 Cb -0.12 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1x47 s SER 61 CO 0.02 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1x47 n GLY 62 N -0.31 -0.96 3.31 9.45 0.00 -0.52 -4.64 105.19 111.52 1x47 n GLY 62 Ca -0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 0.51 0.25 2.61 -4.23 -1.26 -0.93 115.64 110.59 1x47 s THR 63 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1x47 s THR 63 Cb 0.00 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1x47 s THR 63 CO 0.00 -0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.73 1x47 n ALA 64 N -0.45 -1.55 -0.03 3.99 0.00 0.16 -4.69 120.51 117.94 1x47 n ALA 64 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 1x47 n ALA 64 Cb 0.66 0.67 -0.03 0.00 0.00 0.00 0.00 19.45 20.75 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 1.50 0.86 -1.77 0.00 0.87 -1.84 -3.20 113.55 109.96 1x47 h SER 65 Ca -0.24 -0.52 -0.49 0.00 -1.23 0.00 0.00 61.79 59.32 1x47 h SER 65 Cb 0.93 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1x47 h SER 65 CO 0.31 1.30 -0.42 -0.55 -0.53 0.00 0.00 176.83 176.94 1x47 s SER 66 N -7.02 5.32 -0.01 6.23 0.15 -1.26 -4.69 113.70 112.43 1x47 s SER 66 Ca -0.09 -0.51 -0.23 0.00 0.70 0.00 0.00 55.95 55.82 1x47 s SER 66 Cb 0.10 -0.92 -0.14 0.00 -1.71 0.00 0.00 66.02 63.35 1x47 s SER 66 CO 0.88 -0.42 1.02 0.50 1.20 0.00 0.00 173.24 176.42 1x47 h LYS 67 N 1.16 -0.56 -0.55 5.44 3.64 -1.92 -2.86 116.57 120.92 1x47 h LYS 67 Ca -0.44 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 1x47 h LYS 67 Cb 1.26 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 33.11 1x47 h LYS 67 CO 0.57 -0.26 -0.56 -0.22 -2.27 0.00 0.00 179.45 176.72 1x47 h LYS 68 N -1.00 -0.29 -1.00 1.90 3.64 -1.98 0.12 116.57 117.96 1x47 h LYS 68 Ca -0.06 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1x47 h LYS 68 Cb 0.56 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.29 1x47 h LYS 68 CO 0.10 -0.19 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.57 1x47 h LEU 69 N -0.30 -1.65 -0.32 5.20 -0.00 -1.97 1.28 115.31 117.54 1x47 h LEU 69 Ca 0.10 0.32 0.07 0.00 -0.00 0.00 0.00 57.88 58.37 1x47 h LEU 69 Cb 0.55 0.82 -0.08 0.00 -0.00 0.00 0.00 40.66 41.95 1x47 h LEU 69 CO -0.68 -0.27 -0.34 0.00 -0.00 0.00 0.00 178.44 177.15 1x47 h ALA 70 N 1.12 -0.28 -0.48 1.53 0.00 -0.59 1.49 119.26 122.07 1x47 h ALA 70 Ca 0.29 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1x47 h ALA 70 Cb 0.54 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1x47 h ALA 70 CO -0.98 -0.77 0.32 -0.22 0.00 0.00 0.00 179.25 177.61 1x47 h LYS 71 N -0.31 0.46 0.02 0.00 3.64 0.16 0.65 116.57 121.19 1x47 h LYS 71 Ca 0.14 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1x47 h LYS 71 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1x47 h LYS 71 CO -0.49 0.30 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.07 1x47 h ASN 72 N 0.47 -0.03 -0.71 4.20 2.35 0.62 -1.57 115.58 120.92 1x47 h ASN 72 Ca 0.20 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1x47 h ASN 72 Cb 0.21 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1x47 h ASN 72 CO -0.05 0.41 0.40 0.11 -1.65 0.00 0.00 177.43 176.66 1x47 h LYS 73 N -0.47 0.97 -0.21 0.81 1.57 0.27 0.87 116.57 120.38 1x47 h LYS 73 Ca -0.00 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1x47 h LYS 73 Cb 0.45 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1x47 h LYS 73 CO 0.01 0.71 -0.10 0.00 -0.57 0.00 0.00 179.45 179.50 1x47 h ALA 74 N 1.21 0.08 -0.13 3.86 0.00 0.33 0.30 119.26 124.91 1x47 h ALA 74 Ca 0.25 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1x47 h ALA 74 Cb 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x47 h ALA 74 CO -0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 1x47 h ALA 75 N 1.11 0.18 -0.86 0.00 0.00 -0.83 -2.32 119.26 116.54 1x47 h ALA 75 Ca 0.11 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 55.03 1x47 h ALA 75 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1x47 h ALA 75 CO -0.26 -0.07 0.61 -0.09 0.00 0.00 0.00 179.25 179.45 1x47 h ARG 76 N -0.07 0.04 0.30 0.00 2.43 0.13 -0.06 114.38 117.15 1x47 h ARG 76 Ca 0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1x47 h ARG 76 Cb 0.47 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1x47 h ARG 76 CO 0.01 0.02 -0.14 0.00 -1.51 0.00 0.00 179.97 178.36 1x47 h ALA 77 N 1.58 -0.47 -0.97 2.80 0.00 -0.05 -2.73 119.26 119.42 1x47 h ALA 77 Ca 0.41 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.54 1x47 h ALA 77 Cb 1.59 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1x47 h ALA 77 CO -0.02 -0.44 0.43 1.15 0.00 0.00 0.00 179.25 180.37 1x47 h THR 78 N -0.92 0.24 0.68 0.00 2.02 -0.78 0.11 112.91 114.26 1x47 h THR 78 Ca -0.04 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1x47 h THR 78 Cb 0.31 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1x47 h THR 78 CO 0.07 0.04 -0.44 -0.07 0.37 0.00 0.00 175.52 175.49 1x47 h LEU 79 N 0.22 -1.12 -0.78 2.58 3.38 -1.09 -2.31 115.31 116.19 1x47 h LEU 79 Ca 0.69 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.86 1x47 h LEU 79 Cb 1.56 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 42.51 1x47 h LEU 79 CO -0.67 -0.66 -0.34 -0.33 0.09 0.00 0.00 178.44 176.53 1x47 h GLU 80 N -1.06 -0.08 -0.72 1.13 5.08 -0.50 1.41 114.58 119.85 1x47 h GLU 80 Ca -0.09 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1x47 h GLU 80 Cb 0.85 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.99 1x47 h GLU 80 CO 0.08 -0.05 -0.33 0.82 -1.00 0.00 0.00 179.01 178.53 1x47 h ILE 81 N -0.08 0.13 0.00 3.13 2.04 -1.01 -2.98 117.51 118.75 1x47 h ILE 81 Ca 0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.16 1x47 h ILE 81 Cb 0.58 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1x47 h ILE 81 CO -0.82 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.51 1x47 n LEU 82 N -5.45 0.12 -4.63 1.44 4.77 0.98 -4.64 117.00 109.58 1x47 n LEU 82 Ca 0.07 0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 56.28 1x47 n LEU 82 Cb 0.37 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1x47 n LEU 82 CO -0.03 -0.47 1.13 -0.63 -1.33 0.00 0.00 177.39 176.06 1x47 s ILE 83 N -1.68 4.14 0.13 -0.08 1.01 0.45 -4.89 121.20 120.29 1x47 s ILE 83 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 1x47 s ILE 83 Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 1x47 s ILE 83 CO 0.00 -0.53 1.33 1.55 0.00 0.00 0.00 174.94 177.29 1x47 h PRO 84 N 9.37 0.48 -2.35 2.79 0.13 -1.82 -3.33 132.00 137.27 1x47 h PRO 84 Ca -0.26 -0.46 -0.61 0.00 -0.87 0.00 0.00 66.00 63.80 1x47 h PRO 84 Cb 1.09 0.12 -0.41 0.00 0.13 0.00 0.00 31.00 31.93 1x47 h PRO 84 CO 1.04 1.11 -0.51 -0.25 -0.23 0.00 0.00 178.00 179.16 1x47 n ASP 85 N -3.80 3.83 0.03 1.44 9.92 -1.26 -4.83 116.55 121.88 1x47 n ASP 85 Ca -0.06 -3.42 -0.22 0.00 -0.53 0.00 0.00 54.79 50.56 1x47 n ASP 85 Cb 0.79 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 40.42 1x47 n ASP 85 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1x47 h PHE 86 N 4.40 0.56 -3.06 1.24 3.57 -1.94 -3.49 116.94 118.22 1x47 h PHE 86 Ca 0.19 -0.41 -0.16 0.00 3.53 0.00 0.00 57.97 61.13 1x47 h PHE 86 Cb 0.67 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1x47 h PHE 86 CO 0.73 1.71 -0.12 1.33 -2.23 0.00 0.00 178.31 179.74 1x47 n VAL 87 N -3.61 0.00 -3.40 1.41 0.24 -1.26 -5.12 118.33 106.58 1x47 n VAL 87 Ca -0.28 -0.92 -0.27 0.00 -2.04 0.00 0.00 64.34 60.82 1x47 n VAL 87 Cb 1.03 0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 33.82 1x47 n VAL 87 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1x47 s LYS 88 N -2.45 0.85 -0.27 7.34 1.02 -1.26 -5.07 119.74 119.90 1x47 s LYS 88 Ca 0.15 -1.99 -0.04 0.00 0.02 0.00 0.00 55.97 54.11 1x47 s LYS 88 Cb -0.00 -1.40 0.15 0.00 -0.52 0.00 0.00 37.83 36.06 1x47 s LYS 88 CO 0.11 -1.36 0.53 -0.65 -0.92 0.00 0.00 175.35 173.06 1x47 s GLN 89 N 0.22 0.49 -0.29 1.68 -0.21 -1.26 -5.14 119.66 115.14 1x47 s GLN 89 Ca 0.31 0.97 -0.16 0.00 0.02 0.00 0.00 55.36 56.50 1x47 s GLN 89 Cb -0.00 0.33 0.17 0.00 1.00 0.00 0.00 33.01 34.51 1x47 s GLN 89 CO -0.17 -0.51 1.10 -0.08 -2.12 0.00 0.00 175.29 173.51 1x47 s THR 90 N 2.76 -0.04 -0.31 -0.19 -1.32 -1.26 -5.13 115.64 110.15 1x47 s THR 90 Ca 0.12 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.53 1x47 s THR 90 Cb -0.14 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.03 1x47 s THR 90 CO -0.18 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.24 1x47 s SER 91 N 1.33 -0.65 0.48 8.08 1.04 -1.26 -5.15 113.70 117.58 1x47 s SER 91 Ca -0.08 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1x47 s SER 91 Cb -0.03 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1x47 s SER 91 CO -0.13 -0.10 0.00 1.21 0.98 0.00 0.00 173.24 175.20 1x47 n GLU 92 N 4.72 -2.74 -1.95 4.02 2.13 -1.26 -5.00 120.64 120.56 1x47 n GLU 92 Ca 0.08 2.16 0.00 0.00 0.66 0.00 0.00 57.16 60.06 1x47 n GLU 92 Cb 0.59 -3.32 0.00 0.00 0.27 0.00 0.00 31.44 28.98 1x47 n GLU 92 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1x47 n SER 93 N -4.22 -9.00 0.00 4.31 7.64 -1.26 -5.07 113.62 106.02 1x47 n SER 93 Ca -0.06 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.16 1x47 n SER 93 Cb 0.61 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 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 1.34 -1.41 3.67 0.23 0.00 -1.26 -5.07 105.19 102.68 1x47 n GLY 94 Ca 0.00 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 4.29 -0.11 1.61 0.04 -1.26 -4.26 135.00 135.31 1x47 s PRO 95 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1x47 s PRO 95 Cb 0.00 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.89 1x47 s PRO 95 CO 0.00 -0.58 0.10 0.45 0.04 0.00 0.00 177.00 177.01 1x47 n SER 96 N 5.87 -6.66 -3.30 6.66 2.88 -1.26 -5.01 113.62 112.80 1x47 n SER 96 Ca 0.12 0.48 0.03 0.00 -1.33 0.00 0.00 58.87 58.17 1x47 n SER 96 Cb 0.45 -2.18 -0.02 0.00 -0.75 0.00 0.00 64.21 61.72 1x47 n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x47 s SER 97 N -1.18 -1.16 0.00 -3.46 1.04 -1.26 -5.12 113.70 102.56 1x47 s SER 97 Ca 0.05 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1x47 s SER 97 Cb -0.01 2.07 0.00 0.00 0.10 0.00 0.00 66.02 68.19 1x47 s SER 97 CO 0.23 -0.22 0.29 0.61 0.98 0.00 0.00 173.24 175.14