#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 -0.76 -0.07 1.61 1.04 -1.26 -5.10 113.70 109.17 1x47 s SER 2 Ca 0.00 1.13 -0.09 0.00 0.48 0.00 0.00 55.95 57.46 1x47 s SER 2 Cb 0.00 1.58 0.02 0.00 0.10 0.00 0.00 66.02 67.72 1x47 s SER 2 CO 0.00 -0.17 0.24 -0.44 0.98 0.00 0.00 173.24 173.85 1x47 s SER 3 N 1.99 -0.20 0.00 7.02 0.01 -1.26 -5.11 113.70 116.15 1x47 s SER 3 Ca -0.07 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x47 s SER 3 Cb -0.06 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1x47 s SER 3 CO -0.18 -0.19 0.03 0.61 0.41 0.00 0.00 173.24 173.93 1x47 n GLY 4 N 2.46 -0.26 2.49 3.44 0.00 -1.26 -4.95 105.19 107.12 1x47 n GLY 4 Ca -0.16 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 -1.26 -3.58 1.61 7.64 -1.26 -5.03 113.62 111.66 1x47 n SER 5 Ca 0.00 1.22 -0.29 0.00 1.01 0.00 0.00 58.87 60.81 1x47 n SER 5 Cb 0.00 -4.85 -0.15 0.00 -1.01 0.00 0.00 64.21 58.19 1x47 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x47 s SER 6 N -0.71 3.62 -0.27 6.43 0.01 -1.26 -5.10 113.70 116.42 1x47 s SER 6 Ca -0.23 -1.35 -0.13 0.00 1.31 0.00 0.00 55.95 55.54 1x47 s SER 6 Cb 0.02 -0.46 0.09 0.00 0.21 0.00 0.00 66.02 65.88 1x47 s SER 6 CO 0.72 -0.43 0.64 -0.83 0.41 0.00 0.00 173.24 173.75 1x47 s GLY 7 N 2.00 -0.62 -0.15 3.44 0.00 -1.26 -5.07 107.32 105.66 1x47 s GLY 7 Ca 0.09 2.28 -0.11 0.00 0.00 0.00 0.00 44.72 46.98 1x47 s GLY 7 CO -0.34 2.50 -0.16 -2.21 0.00 0.00 0.00 173.10 172.89 1x47 n GLU 8 N 4.64 0.47 -1.15 2.90 0.00 -1.26 -5.08 120.64 121.16 1x47 n GLU 8 Ca -0.18 0.51 0.13 0.00 0.00 0.00 0.00 57.16 57.62 1x47 n GLU 8 Cb 0.56 -1.68 -0.05 0.00 0.00 0.00 0.00 31.44 30.27 1x47 n GLU 8 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x47 n PHE 9 N -4.59 -2.60 -3.11 4.31 3.72 -1.26 -4.35 117.46 109.58 1x47 n PHE 9 Ca -0.10 1.36 -0.43 0.00 -0.05 0.00 0.00 57.45 58.23 1x47 n PHE 9 Cb 0.32 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 1x47 n PHE 9 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1x47 n VAL 10 N -3.54 5.06 -1.66 -4.37 0.31 -1.26 -5.02 118.33 107.84 1x47 n VAL 10 Ca -0.02 -5.77 -0.45 0.00 -0.01 0.00 0.00 64.34 58.09 1x47 n VAL 10 Cb 0.63 -2.21 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 1x47 n VAL 10 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1x47 n ILE 11 N 1.67 1.18 -2.36 2.52 -5.35 -1.26 -4.89 119.36 110.87 1x47 n ILE 11 Ca 0.25 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 62.02 1x47 n ILE 11 Cb 0.35 -1.42 -0.03 0.00 -1.74 0.00 0.00 39.64 36.80 1x47 n ILE 11 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1x47 s ASN 12 N 0.12 6.99 -0.05 7.28 -0.87 -1.26 -4.94 114.94 122.21 1x47 s ASN 12 Ca 0.66 2.01 -0.25 0.00 -1.57 0.00 0.00 52.86 53.71 1x47 s ASN 12 Cb -0.65 -2.57 -0.23 0.00 -0.02 0.00 0.00 41.25 37.78 1x47 s ASN 12 CO 0.52 -0.58 1.05 1.55 -2.57 0.00 0.00 177.10 177.07 1x47 h PRO 13 N 7.26 0.12 -4.50 -0.60 0.13 -2.04 -3.42 132.00 128.95 1x47 h PRO 13 Ca -0.38 -0.12 -0.72 0.00 -0.87 0.00 0.00 66.00 63.91 1x47 h PRO 13 Cb 1.19 0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1x47 h PRO 13 CO 0.86 0.84 -0.41 -0.80 -0.23 0.00 0.00 178.00 178.26 1x47 s ASN 14 N -6.17 6.12 0.00 1.44 0.01 -1.26 -4.80 114.94 110.28 1x47 s ASN 14 Ca -0.16 -0.93 0.00 0.00 -0.71 0.00 0.00 52.86 51.05 1x47 s ASN 14 Cb 0.01 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1x47 s ASN 14 CO 0.72 -0.48 0.00 0.61 -1.51 0.00 0.00 177.10 176.44 1x47 n GLY 15 N 5.16 0.16 4.00 0.66 0.00 -1.26 -5.12 105.19 108.80 1x47 n GLY 15 Ca -0.11 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.01 2.69 0.51 1.61 1.02 -1.26 -4.72 119.74 118.58 1x47 s LYS 16 Ca 0.00 -1.18 0.07 0.00 0.02 0.00 0.00 55.97 54.89 1x47 s LYS 16 Cb 0.00 -2.68 0.07 0.00 -0.52 0.00 0.00 37.83 34.70 1x47 s LYS 16 CO 0.00 -0.45 0.61 0.45 -0.92 0.00 0.00 175.35 175.04 1x47 n SER 17 N -2.02 2.10 -0.24 2.83 2.88 -1.26 -4.89 113.62 113.02 1x47 n SER 17 Ca 0.09 -2.48 -0.06 0.00 -1.33 0.00 0.00 58.87 55.09 1x47 n SER 17 Cb 0.59 -0.27 0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1x47 n SER 17 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1x47 h GLU 18 N 0.00 1.10 -0.26 -1.46 4.57 -1.98 0.30 114.58 116.86 1x47 h GLU 18 Ca -0.26 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1x47 h GLU 18 Cb 1.12 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1x47 h GLU 18 CO 0.39 0.96 0.14 -0.39 -1.18 0.00 0.00 179.01 178.93 1x47 h VAL 19 N 1.05 1.08 0.05 0.32 -1.51 -1.87 0.32 116.25 115.69 1x47 h VAL 19 Ca 0.22 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1x47 h VAL 19 Cb 0.34 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1x47 h VAL 19 CO -0.00 0.09 -0.02 0.00 -1.23 0.00 0.00 177.57 176.41 1x47 h ILE 21 N -0.91 0.15 -1.00 0.00 2.04 -0.29 1.51 117.51 119.02 1x47 h ILE 21 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 1x47 h ILE 21 Cb 0.05 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.18 1x47 h ILE 21 CO 0.01 0.00 0.61 0.25 0.00 0.00 0.00 178.15 179.02 1x47 h LEU 22 N -0.03 0.83 0.69 1.44 7.12 -0.48 -1.55 115.31 123.34 1x47 h LEU 22 Ca 0.37 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.42 1x47 h LEU 22 Cb 0.60 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1x47 h LEU 22 CO -0.84 0.36 -0.33 -0.74 -0.13 0.00 0.00 178.44 176.75 1x47 h HIS 23 N 0.85 -0.86 0.00 1.25 2.76 0.22 -0.72 115.15 118.65 1x47 h HIS 23 Ca 0.54 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1x47 h HIS 23 Cb 0.72 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1x47 h HIS 23 CO -0.01 -0.51 0.00 0.39 -1.30 0.00 0.00 177.93 176.50 1x47 n GLU 24 N -5.44 0.00 -0.30 5.26 -0.58 0.17 0.13 120.64 119.88 1x47 n GLU 24 Ca -0.13 0.89 0.14 0.00 -0.42 0.00 0.00 57.16 57.63 1x47 n GLU 24 Cb 0.39 -1.43 0.31 0.00 -0.57 0.00 0.00 31.44 30.14 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 0.55 0.77 -0.32 5.03 -1.44 0.99 116.97 122.56 1x47 h TYR 25 Ca 0.00 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 1x47 h TYR 25 Cb 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1x47 h TYR 25 CO -0.72 -0.12 -0.40 0.52 -1.32 0.00 0.00 178.16 176.12 1x47 h MET 26 N 0.32 -1.03 0.00 1.82 2.86 0.82 0.30 114.93 120.02 1x47 h MET 26 Ca 0.57 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.28 1x47 h MET 26 Cb 1.13 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1x47 h MET 26 CO -0.58 -0.69 0.00 0.94 1.06 0.00 0.00 176.91 177.64 1x47 n GLN 27 N -4.96 0.12 -0.05 1.72 7.27 0.35 0.21 117.38 122.04 1x47 n GLN 27 Ca -0.13 0.21 -0.21 0.00 0.07 0.00 0.00 57.00 56.94 1x47 n GLN 27 Cb 0.43 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.45 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 0.11 0.00 3.69 2.43 0.18 -3.19 114.38 117.60 1x47 h ARG 28 Ca 0.00 -0.19 -0.35 0.00 -0.81 0.00 0.00 59.98 58.64 1x47 h ARG 28 Cb 0.12 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1x47 h ARG 28 CO 0.00 1.09 -2.06 1.33 -1.51 0.00 0.00 179.97 178.82 1x47 n VAL 29 N -4.18 1.52 -0.02 0.20 0.24 0.99 -4.61 118.33 112.47 1x47 n VAL 29 Ca -0.27 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1x47 n VAL 29 Cb 0.77 -1.99 -0.11 0.00 -1.47 0.00 0.00 33.84 31.04 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 -0.00 -0.94 1.34 3.38 0.23 -3.48 115.31 114.83 1x47 h LEU 30 Ca -0.52 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 56.85 1x47 h LEU 30 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1x47 h LEU 30 CO -0.32 0.60 0.00 1.17 0.09 0.00 0.00 178.44 179.98 1x47 n LYS 31 N -4.80 0.00 -3.78 1.13 0.00 0.20 -4.92 118.16 105.99 1x47 n LYS 31 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 1x47 n LYS 31 Cb 0.30 -2.26 -0.09 0.00 0.00 0.00 0.00 35.03 32.98 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 -2.90 0.06 -0.06 3.15 -7.23 -1.26 -4.90 120.40 107.26 1x47 s VAL 32 Ca 0.00 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.45 1x47 s VAL 32 Cb 0.00 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1x47 s VAL 32 CO 0.00 -0.26 0.79 -0.60 -0.31 0.00 0.00 175.10 174.73 1x47 s ARG 33 N -1.19 4.45 -0.06 4.82 3.52 -1.26 -3.67 118.95 125.56 1x47 s ARG 33 Ca -0.12 1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 1x47 s ARG 33 Cb -0.05 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1x47 s ARG 33 CO 0.03 -0.02 1.23 -1.25 -0.81 0.00 0.00 175.30 174.48 1x47 s PRO 34 N 1.03 4.33 -0.24 5.12 0.04 -1.26 -4.58 135.00 139.44 1x47 s PRO 34 Ca 0.42 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 1x47 s PRO 34 Cb -0.18 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 1x47 s PRO 34 CO 0.20 -0.49 0.71 0.08 0.04 0.00 0.00 177.00 177.54 1x47 s VAL 35 N 2.39 4.93 -0.66 -0.36 1.01 0.87 -4.89 120.40 123.69 1x47 s VAL 35 Ca 0.56 1.30 -0.27 0.00 0.00 0.00 0.00 61.98 63.58 1x47 s VAL 35 Cb -0.25 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.16 1x47 s VAL 35 CO 0.21 0.00 1.18 -0.31 0.00 0.00 0.00 175.10 176.19 1x47 s TYR 36 N 2.55 2.47 -0.21 5.22 2.02 -1.26 0.08 117.35 128.22 1x47 s TYR 36 Ca 0.30 0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.85 1x47 s TYR 36 Cb -0.15 -4.50 -0.03 0.00 -0.40 0.00 0.00 41.96 36.87 1x47 s TYR 36 CO 0.08 -1.81 0.53 -0.80 -1.57 0.00 0.00 175.55 171.98 1x47 s ASN 37 N 3.41 6.56 0.04 2.29 0.01 0.34 -4.90 114.94 122.68 1x47 s ASN 37 Ca 0.35 0.67 0.05 0.00 -0.71 0.00 0.00 52.86 53.22 1x47 s ASN 37 Cb -0.09 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 1x47 s ASN 37 CO 0.18 -0.20 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.12 1x47 s PHE 38 N 1.73 2.79 0.25 2.20 0.08 -1.26 0.11 117.98 123.89 1x47 s PHE 38 Ca 0.24 -0.11 -0.22 0.00 0.12 0.00 0.00 56.93 56.96 1x47 s PHE 38 Cb -0.15 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1x47 s PHE 38 CO 0.10 0.37 0.78 -0.59 -0.10 0.00 0.00 175.22 175.77 1x47 s PHE 39 N -1.05 -0.16 0.35 0.36 -0.12 -1.07 -5.01 117.98 111.28 1x47 s PHE 39 Ca 0.18 -0.27 -0.22 0.00 -0.05 0.00 0.00 56.93 56.57 1x47 s PHE 39 Cb -0.11 0.70 -0.10 0.00 -0.63 0.00 0.00 43.02 42.88 1x47 s PHE 39 CO 0.09 -1.15 0.88 -1.83 -0.05 0.00 0.00 175.22 173.16 1x47 s GLU 40 N -3.68 4.32 0.14 1.99 -1.05 -1.26 -3.40 118.70 115.76 1x47 s GLU 40 Ca 0.12 1.08 -0.03 0.00 -0.15 0.00 0.00 54.97 55.99 1x47 s GLU 40 Cb -0.05 -2.53 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 1x47 s GLU 40 CO 0.06 0.17 0.35 0.00 0.95 0.00 0.00 175.26 176.79 1x47 h GLU 42 N 2.69 1.04 -6.37 0.00 4.57 -1.97 -3.43 114.58 111.11 1x47 h GLU 42 Ca -0.46 -0.33 -0.55 0.00 -1.18 0.00 0.00 59.36 56.83 1x47 h GLU 42 Cb 1.17 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1x47 h GLU 42 CO 0.72 1.03 0.04 1.21 -1.18 0.00 0.00 179.01 180.83 1x47 s ASN 43 N -6.60 7.13 0.09 1.04 2.47 -1.26 -4.95 114.94 112.85 1x47 s ASN 43 Ca -0.11 1.37 0.23 0.00 0.42 0.00 0.00 52.86 54.77 1x47 s ASN 43 Cb 0.14 -2.40 0.92 0.00 -1.45 0.00 0.00 41.25 38.46 1x47 s ASN 43 CO 0.85 0.21 1.72 -0.81 -3.72 0.00 0.00 177.10 175.35 1x47 n PRO 44 N 1.46 0.09 0.03 0.43 -0.04 -1.26 -3.65 135.00 132.06 1x47 n PRO 44 Ca -0.08 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1x47 n PRO 44 Cb 0.50 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1x47 n PRO 44 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x47 h SER 45 N 0.00 -1.43 -3.37 3.54 0.02 -1.95 -3.35 113.55 107.01 1x47 h SER 45 Ca 0.00 0.17 -0.60 0.00 -0.84 0.00 0.00 61.79 60.52 1x47 h SER 45 Cb 0.44 0.56 -0.40 0.00 0.14 0.00 0.00 62.40 63.15 1x47 h SER 45 CO 0.00 -0.47 -0.75 -1.61 -1.14 0.00 0.00 176.83 172.86 1x47 s GLU 46 N -5.84 1.12 0.16 3.45 8.01 -1.24 -4.79 118.70 119.56 1x47 s GLU 46 Ca -0.16 -1.77 0.24 0.00 0.01 0.00 0.00 54.97 53.29 1x47 s GLU 46 Cb 0.08 -2.20 0.91 0.00 -4.31 0.00 0.00 34.13 28.61 1x47 s GLU 46 CO 0.63 -1.13 1.73 -0.35 0.01 0.00 0.00 175.26 176.15 1x47 n PRO 47 N 3.85 0.15 -2.70 0.39 -0.04 -1.26 -4.22 135.00 131.18 1x47 n PRO 47 Ca 0.07 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 1x47 n PRO 47 Cb 0.36 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1x47 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x47 n PHE 48 N -2.00 4.03 -3.86 0.54 3.01 -1.22 -3.96 117.46 114.00 1x47 n PHE 48 Ca 0.04 -3.11 -0.34 0.00 1.01 0.00 0.00 57.45 55.06 1x47 n PHE 48 Cb 0.30 -2.05 -0.05 0.00 -0.01 0.00 0.00 39.48 37.68 1x47 n PHE 48 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1x47 s GLY 49 N 1.82 2.20 0.02 1.37 0.00 -1.22 -2.17 107.32 109.33 1x47 s GLY 49 Ca 0.41 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 44.29 1x47 s GLY 49 CO 0.00 -0.56 0.29 0.00 0.00 0.00 0.00 173.10 172.83 1x47 s ALA 50 N -1.30 -0.67 0.16 3.20 0.00 -0.04 -2.59 121.76 120.51 1x47 s ALA 50 Ca 0.27 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1x47 s ALA 50 Cb -0.13 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1x47 s ALA 50 CO 0.17 -0.34 0.02 -1.54 0.00 0.00 0.00 175.76 174.07 1x47 s SER 51 N -1.76 0.90 -0.33 0.00 1.04 0.30 -1.40 113.70 112.45 1x47 s SER 51 Ca -0.09 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.15 1x47 s SER 51 Cb -0.03 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.35 1x47 s SER 51 CO -0.00 -0.63 0.05 -0.69 0.98 0.00 0.00 173.24 172.96 1x47 s VAL 52 N -3.79 2.88 -0.25 5.02 1.01 0.24 -0.51 120.40 125.00 1x47 s VAL 52 Ca 0.24 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 1x47 s VAL 52 Cb 0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1x47 s VAL 52 CO 0.03 -0.34 0.27 0.42 0.00 0.00 0.00 175.10 175.48 1x47 s THR 53 N 1.15 5.26 -0.49 3.92 -4.23 0.11 -2.08 115.64 119.29 1x47 s THR 53 Ca 0.01 0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 1x47 s THR 53 Cb -0.21 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 70.13 1x47 s THR 53 CO -0.03 0.25 0.41 -0.63 -0.54 0.00 0.00 174.62 174.07 1x47 s ILE 54 N 1.60 4.93 0.00 2.99 1.01 0.12 -0.09 121.20 131.75 1x47 s ILE 54 Ca 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1x47 s ILE 54 Cb -0.15 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1x47 s ILE 54 CO 0.08 -0.71 0.00 -0.90 0.00 0.00 0.00 174.94 173.42 1x47 n ASP 55 N 5.14 -3.16 0.00 3.58 5.75 -1.26 -1.52 116.55 125.07 1x47 n ASP 55 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1x47 n ASP 55 Cb 0.42 -1.66 0.00 0.00 -1.03 0.00 0.00 41.12 38.85 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x47 n GLY 56 N -1.41 1.22 3.67 6.12 0.00 -1.26 -4.49 105.19 109.04 1x47 n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 4.89 -0.20 1.61 1.01 -0.58 -4.97 120.40 120.15 1x47 s VAL 57 Ca 0.00 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1x47 s VAL 57 Cb 0.00 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1x47 s VAL 57 CO 0.00 0.03 1.14 -0.89 0.00 0.00 0.00 175.10 175.38 1x47 s THR 58 N 2.10 4.50 0.00 3.92 2.01 -1.26 0.12 115.64 127.04 1x47 s THR 58 Ca 0.38 1.82 0.00 0.00 0.31 0.00 0.00 61.69 64.20 1x47 s THR 58 Cb -0.17 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1x47 s THR 58 CO 0.13 -0.15 0.00 -1.22 -0.69 0.00 0.00 174.62 172.68 1x47 n TYR 59 N 6.39 0.00 -3.24 4.92 4.02 -0.88 -4.99 117.16 123.38 1x47 n TYR 59 Ca 0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.63 1x47 n TYR 59 Cb 0.46 0.00 -0.06 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 -1.07 2.52 -0.13 2.72 0.00 -1.24 -4.83 107.32 105.30 1x47 s GLY 60 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.61 1x47 s GLY 60 CO 0.00 0.80 0.29 -0.56 0.00 0.00 0.00 173.10 173.63 1x47 s SER 61 N 0.26 -0.16 0.37 1.64 0.01 -1.26 0.83 113.70 115.39 1x47 s SER 61 Ca 0.30 0.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.10 1x47 s SER 61 Cb -0.17 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.68 1x47 s SER 61 CO 0.14 -0.19 0.63 -0.83 0.41 0.00 0.00 173.24 173.40 1x47 s GLY 62 N 1.64 0.96 0.26 3.44 0.00 -0.50 -4.90 107.32 108.22 1x47 s GLY 62 Ca -0.06 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1x47 s GLY 62 CO -0.09 -0.66 0.14 -0.51 0.00 0.00 0.00 173.10 171.97 1x47 s THR 63 N -2.65 0.27 0.14 0.90 -4.23 -1.26 -0.86 115.64 107.94 1x47 s THR 63 Ca 0.23 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1x47 s THR 63 Cb -0.03 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1x47 s THR 63 CO 0.16 0.00 0.69 0.00 -0.54 0.00 0.00 174.62 174.93 1x47 n ALA 64 N -0.46 -1.78 0.11 3.99 0.00 -0.92 -4.65 120.51 116.80 1x47 n ALA 64 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1x47 n ALA 64 Cb 0.65 0.42 0.03 0.00 0.00 0.00 0.00 19.45 20.55 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 1.35 0.00 -0.33 0.00 0.87 -1.87 -3.23 113.55 110.34 1x47 h SER 65 Ca -0.19 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.75 1x47 h SER 65 Cb 0.82 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.71 1x47 h SER 65 CO 0.25 0.74 -0.35 -0.55 -0.53 0.00 0.00 176.83 176.39 1x47 s SER 66 N -6.66 4.47 -0.10 6.23 0.15 -1.26 -4.76 113.70 111.77 1x47 s SER 66 Ca 0.01 -1.43 -0.02 0.00 0.70 0.00 0.00 55.95 55.22 1x47 s SER 66 Cb 0.10 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1x47 s SER 66 CO 0.78 -1.10 -0.03 0.50 1.20 0.00 0.00 173.24 174.58 1x47 h LYS 67 N 0.87 0.00 -0.95 5.44 3.64 -1.89 -3.29 116.57 120.39 1x47 h LYS 67 Ca -0.38 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1x47 h LYS 67 Cb 1.32 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 1x47 h LYS 67 CO 0.61 0.00 -0.49 0.87 -2.27 0.00 0.00 179.45 178.18 1x47 h LYS 68 N -0.94 -0.02 -1.00 1.90 1.57 -1.98 0.32 116.57 116.42 1x47 h LYS 68 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1x47 h LYS 68 Cb 0.10 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.28 1x47 h LYS 68 CO 0.00 -0.02 -0.54 1.28 -0.57 0.00 0.00 179.45 179.60 1x47 n LEU 69 N -5.37 -0.97 -0.21 2.94 7.99 -1.26 0.17 117.00 120.30 1x47 n LEU 69 Ca 0.06 1.76 -0.06 0.00 -0.01 0.00 0.00 56.01 57.76 1x47 n LEU 69 Cb 0.33 -0.27 -0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1x47 n LEU 69 CO -0.13 -1.47 0.61 0.00 -1.51 0.00 0.00 177.39 174.89 1x47 h ALA 70 N 0.69 -0.12 -0.52 -1.18 0.00 -0.45 1.48 119.26 119.16 1x47 h ALA 70 Ca 0.20 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1x47 h ALA 70 Cb 0.45 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1x47 h ALA 70 CO -0.95 -0.72 0.31 -0.22 0.00 0.00 0.00 179.25 177.68 1x47 h LYS 71 N -0.18 0.61 -0.32 0.00 3.64 0.84 1.46 116.57 122.62 1x47 h LYS 71 Ca 0.22 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1x47 h LYS 71 Cb 0.56 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1x47 h LYS 71 CO -0.69 0.40 0.12 -0.91 -2.27 0.00 0.00 179.45 176.10 1x47 h ASN 72 N 0.62 0.13 -0.38 4.20 2.35 0.55 0.46 115.58 123.51 1x47 h ASN 72 Ca 0.21 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1x47 h ASN 72 Cb 0.02 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1x47 h ASN 72 CO -0.10 0.11 -0.25 0.11 -1.65 0.00 0.00 177.43 175.66 1x47 h LYS 73 N 0.26 0.90 0.11 0.81 1.57 0.26 0.53 116.57 121.00 1x47 h LYS 73 Ca 0.14 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1x47 h LYS 73 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1x47 h LYS 73 CO -0.15 1.04 -0.14 0.00 -0.57 0.00 0.00 179.45 179.64 1x47 h ALA 74 N 0.94 -0.25 -0.16 3.86 0.00 0.29 0.35 119.26 124.30 1x47 h ALA 74 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x47 h ALA 74 Cb 0.80 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1x47 h ALA 74 CO 0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 179.25 178.62 1x47 h ALA 75 N 0.57 0.22 -0.81 0.00 0.00 -0.03 -1.91 119.26 117.32 1x47 h ALA 75 Ca 0.01 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1x47 h ALA 75 Cb 0.28 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1x47 h ALA 75 CO -0.05 -0.02 0.33 -0.09 0.00 0.00 0.00 179.25 179.42 1x47 h ARG 76 N 0.02 0.44 0.53 0.00 2.43 0.33 0.12 114.38 118.23 1x47 h ARG 76 Ca 0.04 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1x47 h ARG 76 Cb 0.47 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1x47 h ARG 76 CO 0.02 0.29 -0.25 0.00 -1.51 0.00 0.00 179.97 178.51 1x47 h ALA 77 N 1.60 -0.71 -1.04 2.80 0.00 -0.14 -2.26 119.26 119.51 1x47 h ALA 77 Ca 0.46 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.47 1x47 h ALA 77 Cb 0.74 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 1x47 h ALA 77 CO -0.44 -0.81 0.63 1.15 0.00 0.00 0.00 179.25 179.78 1x47 h THR 78 N -0.88 0.44 0.96 0.00 2.02 -0.44 0.59 112.91 115.60 1x47 h THR 78 Ca -0.07 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1x47 h THR 78 Cb 0.61 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1x47 h THR 78 CO 0.12 0.08 -0.46 -0.07 0.37 0.00 0.00 175.52 175.55 1x47 h LEU 79 N 0.42 -1.09 -0.49 2.58 3.38 -0.49 -2.19 115.31 117.44 1x47 h LEU 79 Ca 0.67 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.78 1x47 h LEU 79 Cb 1.53 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 42.47 1x47 h LEU 79 CO -0.45 -0.78 -0.18 -0.33 0.09 0.00 0.00 178.44 176.79 1x47 h GLU 80 N -1.29 -0.06 -0.69 1.13 5.08 -0.40 1.42 114.58 119.77 1x47 h GLU 80 Ca -0.13 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1x47 h GLU 80 Cb 0.99 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.13 1x47 h GLU 80 CO 0.22 -0.04 -0.39 0.82 -1.00 0.00 0.00 179.01 178.62 1x47 h ILE 81 N -0.07 0.10 0.00 3.13 2.04 -0.84 -3.13 117.51 118.74 1x47 h ILE 81 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1x47 h ILE 81 Cb 0.42 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1x47 h ILE 81 CO -0.53 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.80 1x47 n LEU 82 N -5.43 0.61 -4.62 1.44 4.77 -0.30 -4.67 117.00 108.79 1x47 n LEU 82 Ca 0.05 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 1x47 n LEU 82 Cb 0.36 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1x47 n LEU 82 CO -0.04 -0.36 1.27 -0.63 -1.33 0.00 0.00 177.39 176.30 1x47 s ILE 83 N -1.20 3.88 0.18 -0.08 1.01 0.47 -4.87 121.20 120.60 1x47 s ILE 83 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 60.65 61.66 1x47 s ILE 83 Cb 0.00 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 1x47 s ILE 83 CO 0.00 -0.44 1.43 1.55 0.00 0.00 0.00 174.94 177.48 1x47 h PRO 84 N 10.29 0.19 -2.50 2.79 0.13 -1.81 -3.32 132.00 137.78 1x47 h PRO 84 Ca -0.30 -0.19 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 1x47 h PRO 84 Cb 1.13 0.05 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 1x47 h PRO 84 CO 1.03 0.90 -0.69 -3.47 -0.23 0.00 0.00 178.00 175.54 1x47 n ASP 85 N -3.71 2.64 -0.03 1.44 -0.08 -1.26 -4.91 116.55 110.64 1x47 n ASP 85 Ca -0.03 -3.16 -0.03 0.00 -1.51 0.00 0.00 54.79 50.06 1x47 n ASP 85 Cb 0.76 -0.69 -0.01 0.00 2.34 0.00 0.00 41.12 43.52 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1x47 n PHE 86 N 1.51 0.32 -1.30 -0.67 7.35 -1.26 -4.99 117.46 118.42 1x47 n PHE 86 Ca 0.25 0.14 -0.29 0.00 -0.76 0.00 0.00 57.45 56.79 1x47 n PHE 86 Cb 0.41 -0.42 0.19 0.00 0.35 0.00 0.00 39.48 40.01 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 -1.63 1.86 0.23 -2.13 0.11 -1.26 -5.01 120.40 112.58 1x47 s VAL 87 Ca -0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1x47 s VAL 87 Cb 0.01 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1x47 s VAL 87 CO 0.12 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.06 1x47 n LYS 88 N -4.26 0.00 -3.53 1.54 4.81 -1.26 -5.10 118.16 110.36 1x47 n LYS 88 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1x47 n LYS 88 Cb 0.59 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.55 1x47 n LYS 88 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1x47 s GLN 89 N -2.00 0.34 -0.07 1.64 2.00 -1.26 -5.14 119.66 115.17 1x47 s GLN 89 Ca 0.00 0.87 -0.03 0.00 -2.00 0.00 0.00 55.36 54.20 1x47 s GLN 89 Cb 0.00 0.07 0.04 0.00 0.80 0.00 0.00 33.01 33.92 1x47 s GLN 89 CO 0.00 -0.40 0.15 -0.08 -0.50 0.00 0.00 175.29 174.47 1x47 s THR 90 N 2.60 -0.07 0.13 -0.34 -1.32 -1.26 -5.05 115.64 110.33 1x47 s THR 90 Ca 0.04 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1x47 s THR 90 Cb -0.13 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1x47 s THR 90 CO -0.14 0.08 0.00 -1.20 -2.21 0.00 0.00 174.62 171.15 1x47 n SER 91 N 4.32 -9.17 -4.33 8.08 7.64 -1.26 -4.94 113.62 113.95 1x47 n SER 91 Ca -0.25 1.58 -0.38 0.00 1.01 0.00 0.00 58.87 60.83 1x47 n SER 91 Cb 0.52 -5.10 -0.12 0.00 -1.01 0.00 0.00 64.21 58.49 1x47 n SER 91 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x47 s GLU 92 N -0.65 2.93 -0.30 1.43 2.02 -1.26 -5.01 118.70 117.85 1x47 s GLU 92 Ca 0.00 -0.98 -0.17 0.00 0.02 0.00 0.00 54.97 53.84 1x47 s GLU 92 Cb 0.00 -3.45 0.18 0.00 0.10 0.00 0.00 34.13 30.96 1x47 s GLU 92 CO 0.00 -0.54 1.20 0.45 0.02 0.00 0.00 175.26 176.39 1x47 s SER 93 N 1.48 -0.17 0.00 -0.19 0.15 -1.26 -5.17 113.70 108.54 1x47 s SER 93 Ca 0.01 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1x47 s SER 93 Cb -0.18 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1x47 s SER 93 CO 0.03 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1x47 n GLY 94 N 5.24 2.56 3.57 9.45 0.00 -1.26 -4.78 105.19 119.96 1x47 n GLY 94 Ca -0.08 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 3.19 -0.10 1.61 0.04 -1.26 -4.38 135.00 132.09 1x47 s PRO 95 Ca 0.00 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 1x47 s PRO 95 Cb 0.00 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 30.38 1x47 s PRO 95 CO 0.00 -2.08 0.09 0.43 0.04 0.00 0.00 177.00 175.48 1x47 n SER 96 N 10.12 -4.99 -1.93 6.66 7.64 -1.26 -4.74 113.62 125.13 1x47 n SER 96 Ca 0.14 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1x47 n SER 96 Cb 0.49 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 1x47 n SER 96 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x47 n SER 97 N 1.86 -7.57 -0.50 6.43 2.88 -1.26 -5.23 113.62 110.22 1x47 n SER 97 Ca -0.15 1.31 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 1x47 n SER 97 Cb 0.30 -4.13 0.05 0.00 -0.75 0.00 0.00 64.21 59.68 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42