#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 -0.62 0.12 1.61 1.04 -1.26 -5.08 113.70 109.51 1x47 s SER 2 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1x47 s SER 2 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1x47 s SER 2 CO 0.00 -0.43 0.00 -1.20 0.98 0.00 0.00 173.24 172.59 1x47 n SER 3 N 1.49 0.69 0.00 7.02 7.64 -1.26 -5.17 113.62 124.03 1x47 n SER 3 Ca -0.16 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1x47 n SER 3 Cb 0.56 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 4 N 2.98 0.72 3.25 0.23 0.00 -1.26 -5.00 105.19 106.12 1x47 n GLY 4 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1x47 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x47 s SER 5 N -4.00 5.83 0.28 1.61 0.01 -1.26 -5.06 113.70 111.11 1x47 s SER 5 Ca 0.00 -1.82 0.10 0.00 1.31 0.00 0.00 55.95 55.54 1x47 s SER 5 Cb 0.00 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 1x47 s SER 5 CO 0.00 -0.72 -0.08 -0.55 0.41 0.00 0.00 173.24 172.30 1x47 s SER 6 N 2.84 4.13 0.07 2.44 0.15 -1.26 -5.15 113.70 116.93 1x47 s SER 6 Ca 0.05 -0.83 -0.19 0.00 0.70 0.00 0.00 55.95 55.68 1x47 s SER 6 Cb -0.27 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1x47 s SER 6 CO 0.01 -0.00 0.44 -0.83 1.20 0.00 0.00 173.24 174.06 1x47 s GLY 7 N -3.61 -0.32 0.27 9.45 0.00 -1.26 -5.18 107.32 106.67 1x47 s GLY 7 Ca 0.31 0.30 0.09 0.00 0.00 0.00 0.00 44.72 45.41 1x47 s GLY 7 CO 0.18 0.03 0.09 -0.54 0.00 0.00 0.00 173.10 172.85 1x47 s GLU 8 N -2.84 2.52 0.26 2.90 2.02 -1.26 -5.07 118.70 117.22 1x47 s GLU 8 Ca -0.03 -1.31 -0.30 0.00 0.02 0.00 0.00 54.97 53.35 1x47 s GLU 8 Cb -0.00 -2.30 -0.14 0.00 0.10 0.00 0.00 34.13 31.79 1x47 s GLU 8 CO -0.05 0.34 1.24 1.19 0.02 0.00 0.00 175.26 178.00 1x47 n PHE 9 N -1.03 1.79 -2.23 1.61 3.72 -1.26 -4.89 117.46 115.18 1x47 n PHE 9 Ca -0.06 0.57 -0.36 0.00 -0.05 0.00 0.00 57.45 57.54 1x47 n PHE 9 Cb 0.59 -2.36 0.02 0.00 -0.94 0.00 0.00 39.48 36.79 1x47 n PHE 9 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1x47 n VAL 10 N 1.13 3.67 -2.89 -4.37 3.14 -1.26 -4.79 118.33 112.96 1x47 n VAL 10 Ca 0.11 -4.79 -0.36 0.00 -2.96 0.00 0.00 64.34 56.33 1x47 n VAL 10 Cb 0.31 -1.30 -0.01 0.00 -1.06 0.00 0.00 33.84 31.78 1x47 n VAL 10 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1x47 n ILE 11 N -0.43 4.74 -2.18 1.55 5.41 -1.26 -5.02 119.36 122.17 1x47 n ILE 11 Ca 0.48 -5.79 -0.43 0.00 1.00 0.00 0.00 62.75 58.02 1x47 n ILE 11 Cb 0.35 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1x47 n ILE 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x47 s ASN 12 N -2.12 6.61 -0.87 4.38 4.22 -1.26 -4.87 114.94 121.03 1x47 s ASN 12 Ca 0.40 1.77 -0.07 0.00 -2.14 0.00 0.00 52.86 52.82 1x47 s ASN 12 Cb 0.18 -2.53 -0.11 0.00 1.28 0.00 0.00 41.25 40.07 1x47 s ASN 12 CO -0.07 -1.04 2.59 -0.81 -2.04 0.00 0.00 177.10 175.74 1x47 n PRO 13 N 7.24 2.42 0.00 3.55 -0.04 -1.26 -4.76 135.00 142.15 1x47 n PRO 13 Ca 0.17 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1x47 n PRO 13 Cb 0.45 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1x47 n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x47 n ASN 14 N 3.55 0.00 -2.42 3.54 4.13 -1.26 -4.71 115.26 118.09 1x47 n ASN 14 Ca 0.52 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.78 1x47 n ASN 14 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x47 n GLY 15 N 0.00 -1.36 3.18 7.41 0.00 -1.26 -5.06 105.19 108.10 1x47 n GLY 15 Ca 0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.13 3.07 0.95 1.61 1.02 -1.26 -4.95 119.74 118.05 1x47 s LYS 16 Ca 0.00 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.04 1x47 s LYS 16 Cb 0.00 -2.54 0.21 0.00 -0.52 0.00 0.00 37.83 34.99 1x47 s LYS 16 CO 0.00 -0.06 1.29 0.43 -0.92 0.00 0.00 175.35 176.09 1x47 n SER 17 N 4.24 0.36 -0.28 2.83 7.64 -1.26 -4.57 113.62 122.57 1x47 n SER 17 Ca -0.20 -1.63 0.02 0.00 1.01 0.00 0.00 58.87 58.07 1x47 n SER 17 Cb 0.51 -0.96 0.22 0.00 -1.01 0.00 0.00 64.21 62.97 1x47 n SER 17 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x47 h GLU 18 N 0.00 1.06 -0.72 1.43 3.07 -1.97 1.33 114.58 118.77 1x47 h GLU 18 Ca -0.42 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1x47 h GLU 18 Cb 1.22 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.86 1x47 h GLU 18 CO 0.32 0.70 0.39 -0.39 -1.40 0.00 0.00 179.01 178.63 1x47 h VAL 19 N 1.09 1.22 0.01 3.13 -1.51 -1.84 0.16 116.25 118.50 1x47 h VAL 19 Ca 0.34 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1x47 h VAL 19 Cb 0.01 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 1x47 h VAL 19 CO -0.10 0.24 -0.00 0.00 -1.23 0.00 0.00 177.57 176.48 1x47 n ILE 21 N -4.40 -0.57 -0.35 0.00 5.41 0.44 1.00 119.36 120.89 1x47 n ILE 21 Ca -0.00 2.25 0.06 0.00 1.00 0.00 0.00 62.75 66.06 1x47 n ILE 21 Cb 0.00 -2.80 0.14 0.00 -0.71 0.00 0.00 39.64 36.27 1x47 n ILE 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1x47 n LEU 22 N -4.89 -0.35 0.48 1.39 -0.00 0.55 -0.04 117.00 114.14 1x47 n LEU 22 Ca 0.02 1.69 -0.20 0.00 -0.00 0.00 0.00 56.01 57.51 1x47 n LEU 22 Cb 0.22 -0.51 -0.10 0.00 -0.00 0.00 0.00 43.42 43.03 1x47 n LEU 22 CO -0.13 -1.62 0.55 -0.74 -0.00 0.00 0.00 177.39 175.44 1x47 h HIS 23 N 0.00 -1.25 0.00 1.96 2.76 0.64 -0.84 115.15 118.42 1x47 h HIS 23 Ca 0.47 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1x47 h HIS 23 Cb 0.72 0.43 0.00 0.00 1.55 0.00 0.00 27.41 30.11 1x47 h HIS 23 CO -0.75 -0.74 0.00 0.39 -1.30 0.00 0.00 177.93 175.52 1x47 n GLU 24 N -5.64 0.00 -0.29 5.26 -0.58 0.94 0.13 120.64 120.45 1x47 n GLU 24 Ca -0.16 0.87 0.11 0.00 -0.42 0.00 0.00 57.16 57.56 1x47 n GLU 24 Cb 0.51 -1.34 0.24 0.00 -0.57 0.00 0.00 31.44 30.28 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 0.16 0.80 -0.32 5.03 -1.17 1.24 116.97 122.71 1x47 h TYR 25 Ca 0.00 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1x47 h TYR 25 Cb 0.00 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1x47 h TYR 25 CO -0.74 -0.25 -0.46 0.52 -1.32 0.00 0.00 178.16 175.90 1x47 h MET 26 N 0.14 -1.13 0.00 1.82 2.86 0.10 1.17 114.93 119.90 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 1.00 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1x47 h MET 26 CO -0.70 -0.75 0.00 0.94 1.06 0.00 0.00 176.91 177.46 1x47 n GLN 27 N -5.37 0.16 -0.08 1.72 7.27 0.34 0.24 117.38 121.65 1x47 n GLN 27 Ca -0.14 0.18 -0.23 0.00 0.07 0.00 0.00 57.00 56.88 1x47 n GLN 27 Cb 0.48 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.51 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 -1.30 0.64 -0.12 3.69 0.63 0.42 -3.41 116.66 117.21 1x47 n ARG 28 Ca 0.06 0.34 -0.23 0.00 -0.92 0.00 0.00 57.85 57.09 1x47 n ARG 28 Cb 0.10 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.90 1.52 0.00 5.15 0.24 0.39 -4.56 118.33 117.18 1x47 n VAL 29 Ca -0.39 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.34 61.54 1x47 n VAL 29 Cb 0.89 -2.02 -0.10 0.00 -1.47 0.00 0.00 33.84 31.14 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 0.65 -1.47 1.34 3.38 0.29 -3.48 115.31 115.02 1x47 h LEU 30 Ca -0.48 -0.72 -0.14 0.00 0.09 0.00 0.00 57.88 56.63 1x47 h LEU 30 Cb 1.38 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 42.00 1x47 h LEU 30 CO -0.29 1.27 -0.29 0.29 0.09 0.00 0.00 178.44 179.51 1x47 n LYS 31 N -4.14 -2.90 -3.83 1.13 5.02 0.52 -4.91 118.16 109.05 1x47 n LYS 31 Ca -0.10 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1x47 n LYS 31 Cb 0.69 -3.86 -0.10 0.00 -0.02 0.00 0.00 35.03 31.75 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x47 s VAL 32 N -3.14 0.06 -0.38 -0.18 -7.23 -1.25 -4.90 120.40 103.38 1x47 s VAL 32 Ca 0.10 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 1x47 s VAL 32 Cb -0.04 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.46 1x47 s VAL 32 CO 0.29 -0.27 0.91 -0.13 -0.31 0.00 0.00 175.10 175.59 1x47 s ARG 33 N -1.03 3.80 0.07 4.82 0.52 -1.26 -3.83 118.95 122.04 1x47 s ARG 33 Ca -0.11 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 1x47 s ARG 33 Cb -0.06 -3.82 -0.06 0.00 0.52 0.00 0.00 34.95 31.54 1x47 s ARG 33 CO 0.02 -0.96 1.16 -1.25 0.02 0.00 0.00 175.30 174.29 1x47 s PRO 34 N 3.45 4.47 -0.03 3.54 0.04 -1.26 -4.52 135.00 140.68 1x47 s PRO 34 Ca 0.37 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1x47 s PRO 34 Cb -0.12 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1x47 s PRO 34 CO 0.19 -0.19 0.64 0.08 0.04 0.00 0.00 177.00 177.76 1x47 s VAL 35 N 0.87 4.97 -0.39 -0.36 1.01 0.14 -4.90 120.40 121.74 1x47 s VAL 35 Ca 0.57 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 1x47 s VAL 35 Cb -0.28 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1x47 s VAL 35 CO 0.30 0.34 0.49 -0.31 0.00 0.00 0.00 175.10 175.91 1x47 s TYR 36 N 0.28 3.16 0.16 5.22 1.51 -1.26 0.96 117.35 127.38 1x47 s TYR 36 Ca 0.34 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1x47 s TYR 36 Cb -0.18 -2.96 -0.07 0.00 -0.11 0.00 0.00 41.96 38.65 1x47 s TYR 36 CO 0.17 -0.65 0.51 -0.80 -1.11 0.00 0.00 175.55 173.67 1x47 s ASN 37 N 1.82 6.70 -0.02 2.29 0.01 0.46 -4.89 114.94 121.33 1x47 s ASN 37 Ca 0.16 0.94 0.01 0.00 -0.71 0.00 0.00 52.86 53.26 1x47 s ASN 37 Cb -0.16 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.27 1x47 s ASN 37 CO 0.14 0.06 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.38 1x47 s PHE 38 N -1.58 0.54 0.25 2.20 0.40 -1.26 0.19 117.98 118.72 1x47 s PHE 38 Ca 0.40 -0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.50 1x47 s PHE 38 Cb -0.13 -0.42 -0.00 0.00 0.51 0.00 0.00 43.02 42.97 1x47 s PHE 38 CO 0.20 -0.07 0.48 -0.59 0.70 0.00 0.00 175.22 175.94 1x47 s PHE 39 N 0.28 0.37 0.66 0.36 -0.12 -0.78 -4.99 117.98 113.76 1x47 s PHE 39 Ca -0.03 -0.73 -0.10 0.00 -0.05 0.00 0.00 56.93 56.02 1x47 s PHE 39 Cb -0.07 0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1x47 s PHE 39 CO -0.00 -1.01 1.03 -1.83 -0.05 0.00 0.00 175.22 173.36 1x47 s GLU 40 N -3.98 2.98 0.10 1.99 -1.05 -1.26 -2.48 118.70 115.00 1x47 s GLU 40 Ca 0.22 0.37 0.06 0.00 -0.15 0.00 0.00 54.97 55.48 1x47 s GLU 40 Cb -0.01 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 1x47 s GLU 40 CO 0.09 -0.87 -0.07 0.00 0.95 0.00 0.00 175.26 175.35 1x47 h GLU 42 N 3.61 0.59 -6.55 0.00 4.81 -1.94 -3.44 114.58 111.67 1x47 h GLU 42 Ca -0.49 -0.33 -0.52 0.00 -0.13 0.00 0.00 59.36 57.90 1x47 h GLU 42 Cb 1.17 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1x47 h GLU 42 CO 0.54 0.93 0.19 -0.80 -0.73 0.00 0.00 179.01 179.13 1x47 s ASN 43 N -6.88 7.37 0.20 1.04 -0.87 -1.26 -4.94 114.94 109.60 1x47 s ASN 43 Ca -0.08 1.65 0.25 0.00 -1.57 0.00 0.00 52.86 53.11 1x47 s ASN 43 Cb 0.12 -2.50 0.90 0.00 -0.02 0.00 0.00 41.25 39.75 1x47 s ASN 43 CO 0.83 0.19 1.74 -0.81 -2.57 0.00 0.00 177.10 176.48 1x47 n PRO 44 N 1.49 0.20 0.29 -0.60 -0.04 -1.26 -3.58 135.00 131.50 1x47 n PRO 44 Ca -0.05 0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 1x47 n PRO 44 Cb 0.49 -1.80 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.21 -3.57 3.54 0.02 -1.96 -3.37 113.55 106.99 1x47 h SER 45 Ca 0.00 0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.43 1x47 h SER 45 Cb 0.53 0.40 -0.40 0.00 0.14 0.00 0.00 62.40 63.06 1x47 h SER 45 CO 0.00 -0.62 -0.73 -1.61 -1.14 0.00 0.00 176.83 172.73 1x47 s GLU 46 N -5.93 1.30 0.49 3.45 2.02 -1.23 -4.73 118.70 114.07 1x47 s GLU 46 Ca -0.18 -1.94 0.28 0.00 0.02 0.00 0.00 54.97 53.16 1x47 s GLU 46 Cb 0.05 -2.46 0.87 0.00 0.10 0.00 0.00 34.13 32.68 1x47 s GLU 46 CO 0.61 -1.12 1.80 -1.00 0.02 0.00 0.00 175.26 175.58 1x47 h PRO 47 N 6.96 0.00 -6.33 0.39 0.13 -1.69 -3.40 132.00 128.05 1x47 h PRO 47 Ca -0.04 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 1x47 h PRO 47 Cb 0.94 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 1x47 h PRO 47 CO 0.51 0.00 0.76 -0.06 -0.23 0.00 0.00 178.00 178.98 1x47 s PHE 48 N -3.44 2.78 0.03 1.56 0.40 -1.20 -2.90 117.98 115.21 1x47 s PHE 48 Ca 0.04 0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.82 1x47 s PHE 48 Cb 0.07 -4.25 -0.02 0.00 0.51 0.00 0.00 43.02 39.33 1x47 s PHE 48 CO 0.60 -1.32 -0.19 0.20 0.70 0.00 0.00 175.22 175.21 1x47 s GLY 49 N 2.62 1.01 0.02 4.36 0.00 -1.03 -0.30 107.32 114.00 1x47 s GLY 49 Ca 0.40 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 44.09 1x47 s GLY 49 CO 0.26 -0.86 0.17 0.00 0.00 0.00 0.00 173.10 172.67 1x47 s ALA 50 N -0.70 -0.32 0.20 3.20 0.00 -0.15 -1.86 121.76 122.13 1x47 s ALA 50 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1x47 s ALA 50 Cb -0.08 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1x47 s ALA 50 CO 0.01 -0.30 0.07 0.45 0.00 0.00 0.00 175.76 175.99 1x47 s SER 51 N -1.81 0.88 -0.32 0.00 0.15 0.50 -1.35 113.70 111.74 1x47 s SER 51 Ca -0.09 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.30 1x47 s SER 51 Cb -0.04 0.21 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1x47 s SER 51 CO -0.02 -0.70 0.04 -0.69 1.20 0.00 0.00 173.24 173.07 1x47 s VAL 52 N -3.84 2.05 -0.18 4.45 1.01 0.25 -0.40 120.40 123.73 1x47 s VAL 52 Ca 0.32 -2.10 -0.17 0.00 0.00 0.00 0.00 61.98 60.03 1x47 s VAL 52 Cb 0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1x47 s VAL 52 CO 0.09 -0.53 0.45 0.42 0.00 0.00 0.00 175.10 175.53 1x47 s THR 53 N 1.04 5.17 -0.59 3.92 -4.23 0.27 -2.12 115.64 119.10 1x47 s THR 53 Ca 0.08 0.84 -0.18 0.00 -1.18 0.00 0.00 61.69 61.25 1x47 s THR 53 Cb -0.19 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 69.99 1x47 s THR 53 CO -0.10 0.25 0.64 -0.63 -0.54 0.00 0.00 174.62 174.25 1x47 s ILE 54 N 1.20 5.00 -0.46 2.99 1.01 0.50 0.26 121.20 131.70 1x47 s ILE 54 Ca 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1x47 s ILE 54 Cb -0.15 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.88 1x47 s ILE 54 CO 0.09 -1.04 0.00 -0.67 0.00 0.00 0.00 174.94 173.32 1x47 n ASP 55 N 5.83 -4.89 0.00 3.58 2.03 -1.26 -1.64 116.55 120.20 1x47 n ASP 55 Ca -0.09 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1x47 n ASP 55 Cb 0.42 -2.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.05 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 -0.64 0.87 3.68 0.27 0.00 -1.26 -5.08 105.19 103.04 1x47 n GLY 56 Ca -0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1x47 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x47 s VAL 57 N -0.81 3.76 0.38 1.61 1.01 -0.65 -4.88 120.40 120.82 1x47 s VAL 57 Ca 0.00 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.85 1x47 s VAL 57 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 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 2.57 3.69 0.00 3.92 2.01 -1.26 0.19 115.64 126.76 1x47 s THR 58 Ca 0.64 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.99 1x47 s THR 58 Cb -0.31 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1x47 s THR 58 CO 0.26 0.07 0.00 -1.22 -0.69 0.00 0.00 174.62 173.03 1x47 n TYR 59 N 0.14 0.00 -3.35 4.92 4.02 -0.90 -4.87 117.16 117.12 1x47 n TYR 59 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.57 2.45 -0.18 2.72 0.00 -1.24 -4.79 107.32 104.71 1x47 s GLY 60 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 1x47 s GLY 60 CO 0.00 0.59 0.40 -0.56 0.00 0.00 0.00 173.10 173.54 1x47 s SER 61 N 0.02 -0.36 0.29 1.64 0.01 -1.26 0.84 113.70 114.88 1x47 s SER 61 Ca 0.26 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.32 1x47 s SER 61 Cb -0.16 1.00 0.01 0.00 0.21 0.00 0.00 66.02 67.07 1x47 s SER 61 CO 0.12 -0.21 0.53 -0.83 0.41 0.00 0.00 173.24 173.26 1x47 s GLY 62 N 1.94 0.70 0.35 3.44 0.00 -0.46 -4.88 107.32 108.41 1x47 s GLY 62 Ca -0.06 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1x47 s GLY 62 CO -0.13 -0.65 0.06 -0.51 0.00 0.00 0.00 173.10 171.88 1x47 s THR 63 N -3.59 1.16 0.14 0.90 -4.23 -1.26 -0.98 115.64 107.79 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 -0.01 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1x47 s THR 63 CO 0.12 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.89 1x47 n ALA 64 N -0.75 -1.79 0.09 3.99 0.00 0.59 -4.69 120.51 117.95 1x47 n ALA 64 Ca -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.62 1x47 n ALA 64 Cb 0.66 0.42 0.03 0.00 0.00 0.00 0.00 19.45 20.56 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 1.36 0.16 -1.20 0.00 0.02 -1.84 -3.17 113.55 108.87 1x47 h SER 65 Ca -0.19 -0.13 -0.62 0.00 -0.84 0.00 0.00 61.79 60.01 1x47 h SER 65 Cb 0.83 -0.05 -0.11 0.00 0.14 0.00 0.00 62.40 63.21 1x47 h SER 65 CO 0.26 0.90 -0.53 -0.55 -1.14 0.00 0.00 176.83 175.77 1x47 s SER 66 N -6.87 4.14 -0.06 3.07 0.15 -1.26 -4.75 113.70 108.12 1x47 s SER 66 Ca -0.02 -1.37 -0.17 0.00 0.70 0.00 0.00 55.95 55.09 1x47 s SER 66 Cb 0.11 -0.10 -0.12 0.00 -1.71 0.00 0.00 66.02 64.20 1x47 s SER 66 CO 0.81 -0.63 0.69 0.50 1.20 0.00 0.00 173.24 175.81 1x47 h LYS 67 N 1.49 -0.28 -0.80 5.44 3.64 -1.90 -3.12 116.57 121.04 1x47 h LYS 67 Ca -0.43 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1x47 h LYS 67 Cb 1.27 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.06 1x47 h LYS 67 CO 0.75 0.05 -0.47 1.17 -2.27 0.00 0.00 179.45 178.67 1x47 n LYS 68 N -4.96 -0.35 -0.35 1.90 4.81 -1.26 0.50 118.16 118.45 1x47 n LYS 68 Ca -0.07 1.41 -0.01 0.00 -0.87 0.00 0.00 58.31 58.77 1x47 n LYS 68 Cb 0.23 -2.07 0.05 0.00 0.02 0.00 0.00 35.03 33.25 1x47 n LYS 68 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1x47 h LEU 69 N 0.00 -1.30 0.26 3.14 -0.00 -1.99 1.13 115.31 116.56 1x47 h LEU 69 Ca 0.13 0.29 0.01 0.00 -0.00 0.00 0.00 57.88 58.31 1x47 h LEU 69 Cb 0.33 0.70 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 1x47 h LEU 69 CO -0.75 -0.30 -0.35 0.00 -0.00 0.00 0.00 178.44 177.04 1x47 h ALA 70 N 1.41 -0.70 -0.93 1.53 0.00 0.12 0.93 119.26 121.62 1x47 h ALA 70 Ca 0.35 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.34 1x47 h ALA 70 Cb 0.61 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1x47 h ALA 70 CO -0.94 -0.94 0.51 -0.22 0.00 0.00 0.00 179.25 177.67 1x47 h LYS 71 N -0.67 0.63 0.55 0.00 3.64 0.35 0.33 116.57 121.41 1x47 h LYS 71 Ca -0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1x47 h LYS 71 Cb 0.64 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1x47 h LYS 71 CO -0.12 0.41 -0.27 -0.97 -2.27 0.00 0.00 179.45 176.24 1x47 h ASN 72 N 0.64 -0.63 -0.78 4.20 -1.24 0.23 -2.34 115.58 115.67 1x47 h ASN 72 Ca 0.54 0.02 0.11 0.00 0.71 0.00 0.00 56.30 57.68 1x47 h ASN 72 Cb 0.86 0.16 -0.13 0.00 0.73 0.00 0.00 38.32 39.95 1x47 h ASN 72 CO -0.41 -0.34 -0.44 0.11 -1.29 0.00 0.00 177.43 175.07 1x47 h LYS 73 N -0.96 -0.11 -0.94 6.67 1.57 0.16 1.41 116.57 124.36 1x47 h LYS 73 Ca -0.08 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 58.97 1x47 h LYS 73 Cb 0.57 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.77 1x47 h LYS 73 CO 0.12 -0.07 0.44 0.00 -0.57 0.00 0.00 179.45 179.37 1x47 h ALA 74 N 0.87 1.62 0.11 3.86 0.00 -0.38 0.99 119.26 126.33 1x47 h ALA 74 Ca 0.23 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1x47 h ALA 74 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x47 h ALA 74 CO -0.82 -0.43 -0.06 0.00 0.00 0.00 0.00 179.25 177.94 1x47 h ALA 75 N 1.78 -0.15 -0.87 0.00 0.00 0.20 -2.29 119.26 117.92 1x47 h ALA 75 Ca 0.63 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.47 1x47 h ALA 75 Cb 1.29 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1x47 h ALA 75 CO -0.58 -0.30 0.43 0.00 0.00 0.00 0.00 179.25 178.80 1x47 h ARG 76 N -0.72 0.53 0.34 0.00 3.08 0.34 -1.08 114.38 116.88 1x47 h ARG 76 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1x47 h ARG 76 Cb 0.54 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1x47 h ARG 76 CO 0.03 0.35 -0.17 0.00 -1.07 0.00 0.00 179.97 179.11 1x47 h ALA 77 N 1.62 -1.11 -0.88 0.04 0.00 0.88 -1.22 119.26 118.59 1x47 h ALA 77 Ca 0.50 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.62 1x47 h ALA 77 Cb 0.82 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 1x47 h ALA 77 CO -0.42 -1.07 0.24 2.41 0.00 0.00 0.00 179.25 180.41 1x47 n THR 78 N -3.26 -0.37 0.48 0.00 -1.04 -0.87 0.85 114.28 110.08 1x47 n THR 78 Ca -0.06 1.87 -0.20 0.00 -2.04 0.00 0.00 64.05 63.63 1x47 n THR 78 Cb 0.18 -2.88 -0.10 0.00 -1.82 0.00 0.00 70.33 65.71 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 -1.02 -0.74 -4.42 3.38 -0.94 -2.39 115.31 109.18 1x47 h LEU 79 Ca 0.64 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.82 1x47 h LEU 79 Cb 1.54 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 42.43 1x47 h LEU 79 CO -0.76 -0.73 0.02 -0.33 0.09 0.00 0.00 178.44 176.73 1x47 h GLU 80 N -1.21 0.11 -0.41 1.13 5.08 0.17 1.42 114.58 120.87 1x47 h GLU 80 Ca -0.12 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1x47 h GLU 80 Cb 0.93 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 1x47 h GLU 80 CO 0.20 0.08 -0.33 0.82 -1.00 0.00 0.00 179.01 178.78 1x47 h ILE 81 N 0.12 0.22 0.04 3.13 2.04 -0.67 -3.15 117.51 119.23 1x47 h ILE 81 Ca 0.41 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.27 1x47 h ILE 81 Cb 0.71 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1x47 h ILE 81 CO -0.64 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.42 1x47 h LEU 82 N -0.25 -0.05 -8.94 1.44 3.38 -0.31 -3.42 115.31 107.16 1x47 h LEU 82 Ca 0.17 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.58 1x47 h LEU 82 Cb 0.54 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1x47 h LEU 82 CO -0.55 0.00 1.02 -0.63 0.09 0.00 0.00 178.44 178.37 1x47 s ILE 83 N -1.85 4.01 0.10 1.22 1.01 0.46 -4.87 121.20 121.28 1x47 s ILE 83 Ca -0.01 1.12 0.15 0.00 0.00 0.00 0.00 60.65 61.91 1x47 s ILE 83 Cb 0.00 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.45 1x47 s ILE 83 CO 0.02 -0.49 1.59 1.55 0.00 0.00 0.00 174.94 177.62 1x47 h PRO 84 N 9.84 0.00 -2.64 2.79 0.13 -1.82 -3.34 132.00 136.96 1x47 h PRO 84 Ca -0.28 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.25 1x47 h PRO 84 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 1x47 h PRO 84 CO 1.04 0.52 -0.82 0.34 -0.23 0.00 0.00 178.00 178.84 1x47 s ASP 85 N -6.54 2.72 -0.24 1.44 -1.08 -1.26 -4.93 116.67 106.78 1x47 s ASP 85 Ca 0.01 -3.34 -0.16 0.00 -0.52 0.00 0.00 52.55 48.54 1x47 s ASP 85 Cb 0.10 -0.88 -0.10 0.00 -1.46 0.00 0.00 42.92 40.58 1x47 s ASP 85 CO 0.73 -0.14 -0.35 0.33 0.52 0.00 0.00 175.17 176.26 1x47 n PHE 86 N 2.55 0.02 -1.15 -5.34 7.35 -1.26 -5.00 117.46 114.64 1x47 n PHE 86 Ca 0.26 0.01 -0.29 0.00 -0.76 0.00 0.00 57.45 56.67 1x47 n PHE 86 Cb 0.43 -0.81 0.17 0.00 0.35 0.00 0.00 39.48 39.62 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 -2.65 2.15 -0.44 -2.13 -7.23 -1.26 -5.04 120.40 103.79 1x47 s VAL 87 Ca -0.35 0.05 0.05 0.00 -1.81 0.00 0.00 61.98 59.92 1x47 s VAL 87 Cb 0.11 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.70 1x47 s VAL 87 CO 0.47 -0.06 0.47 -0.75 -0.31 0.00 0.00 175.10 174.91 1x47 s LYS 88 N -4.94 0.94 -0.30 4.82 2.20 -1.26 -5.07 119.74 116.13 1x47 s LYS 88 Ca 0.65 -1.68 -0.12 0.00 -0.36 0.00 0.00 55.97 54.47 1x47 s LYS 88 Cb -0.19 -0.92 0.18 0.00 -1.51 0.00 0.00 37.83 35.40 1x47 s LYS 88 CO 0.58 -1.36 1.03 -0.65 -0.36 0.00 0.00 175.35 174.59 1x47 s GLN 89 N 0.43 0.19 -0.42 4.03 -0.21 -1.26 -5.12 119.66 117.30 1x47 s GLN 89 Ca 0.31 0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.70 1x47 s GLN 89 Cb 0.01 0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.19 1x47 s GLN 89 CO -0.14 -0.25 1.31 0.95 -2.12 0.00 0.00 175.29 175.04 1x47 s THR 90 N 2.95 4.03 -0.06 -0.19 -4.23 -1.26 -4.96 115.64 111.92 1x47 s THR 90 Ca 0.07 1.07 -0.29 0.00 -1.18 0.00 0.00 61.69 61.37 1x47 s THR 90 Cb -0.08 -4.32 0.06 0.00 1.34 0.00 0.00 72.50 69.50 1x47 s THR 90 CO -0.15 -0.79 0.64 -0.55 -0.54 0.00 0.00 174.62 173.23 1x47 s SER 91 N 3.31 -0.61 -0.07 3.99 0.15 -1.26 -5.08 113.70 114.13 1x47 s SER 91 Ca 0.56 0.70 -0.06 0.00 0.70 0.00 0.00 55.95 57.86 1x47 s SER 91 Cb -0.12 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1x47 s SER 91 CO 0.31 -0.56 0.11 1.21 1.20 0.00 0.00 173.24 175.51 1x47 n GLU 92 N 1.10 -4.96 -3.66 5.44 0.00 -1.26 -5.06 120.64 112.24 1x47 n GLU 92 Ca -0.19 3.65 -0.11 0.00 0.00 0.00 0.00 57.16 60.51 1x47 n GLU 92 Cb 0.57 -4.88 -0.11 0.00 0.00 0.00 0.00 31.44 27.01 1x47 n GLU 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1x47 s SER 93 N -0.63 0.05 0.00 4.31 1.04 -1.26 -5.04 113.70 112.17 1x47 s SER 93 Ca -0.13 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1x47 s SER 93 Cb 0.01 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1x47 s SER 93 CO 0.35 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1x47 n GLY 94 N 5.35 -2.06 3.80 7.32 0.00 -1.26 -5.14 105.19 113.19 1x47 n GLY 94 Ca -0.08 0.72 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 3.74 0.17 1.61 0.04 -1.26 -4.98 135.00 134.32 1x47 s PRO 95 Ca 0.00 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1x47 s PRO 95 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1x47 s PRO 95 CO 0.00 -0.48 0.00 0.45 0.04 0.00 0.00 177.00 177.01 1x47 n SER 96 N -1.13 0.52 -3.57 6.66 2.88 -1.26 -5.14 113.62 112.59 1x47 n SER 96 Ca 0.09 0.27 -0.09 0.00 -1.33 0.00 0.00 58.87 57.81 1x47 n SER 96 Cb 0.53 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1x47 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x47 s SER 97 N -5.53 -0.32 0.00 -3.46 0.01 -1.26 -5.31 113.70 97.83 1x47 s SER 97 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x47 s SER 97 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x47 s SER 97 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89