#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 -0.78 -2.67 1.61 7.64 -1.26 -5.07 113.62 113.08 1x47 n SER 2 Ca 0.00 0.51 -0.03 0.00 1.01 0.00 0.00 58.87 60.36 1x47 n SER 2 Cb 0.00 0.92 0.04 0.00 -1.01 0.00 0.00 64.21 64.16 1x47 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x47 n SER 3 N -3.38 -1.41 0.00 6.43 3.41 -1.26 -5.16 113.62 112.25 1x47 n SER 3 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1x47 n SER 3 Cb 0.00 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x47 n GLY 4 N 2.54 4.14 3.41 5.00 0.00 -1.26 -5.17 105.19 113.85 1x47 n GLY 4 Ca 0.11 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 -0.49 -0.11 1.61 0.01 -1.26 -4.73 113.70 108.74 1x47 s SER 5 Ca 0.00 0.63 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 1x47 s SER 5 Cb 0.00 0.63 -0.05 0.00 0.21 0.00 0.00 66.02 66.82 1x47 s SER 5 CO 0.00 -0.44 0.13 0.28 0.41 0.00 0.00 173.24 173.62 1x47 h SER 6 N 3.91 0.00 -3.21 2.44 0.02 -2.02 -3.50 113.55 111.19 1x47 h SER 6 Ca -0.28 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1x47 h SER 6 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x47 h SER 6 CO 0.33 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1x47 n GLY 7 N 1.75 -1.91 3.47 -3.77 0.00 -1.26 -5.04 105.19 98.43 1x47 n GLY 7 Ca -0.02 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 1x47 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x47 s GLU 8 N 0.00 1.39 -0.10 1.61 8.01 -1.26 -5.16 118.70 123.19 1x47 s GLU 8 Ca 0.00 -1.26 0.00 0.00 0.01 0.00 0.00 54.97 53.73 1x47 s GLU 8 Cb 0.00 0.42 0.02 0.00 -4.31 0.00 0.00 34.13 30.26 1x47 s GLU 8 CO 0.00 -0.55 -0.09 -0.06 0.01 0.00 0.00 175.26 174.57 1x47 s PHE 9 N -4.01 1.53 -0.39 1.61 0.40 -1.26 -5.10 117.98 110.76 1x47 s PHE 9 Ca 0.22 -0.72 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1x47 s PHE 9 Cb 0.01 -1.22 0.09 0.00 0.51 0.00 0.00 43.02 42.42 1x47 s PHE 9 CO 0.06 -0.46 0.18 0.08 0.70 0.00 0.00 175.22 175.79 1x47 s VAL 10 N 1.39 3.53 -0.97 -0.44 1.01 -1.26 -5.03 120.40 118.63 1x47 s VAL 10 Ca -0.01 -1.71 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 1x47 s VAL 10 Cb -0.13 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.05 1x47 s VAL 10 CO -0.05 -0.52 1.37 -0.63 0.00 0.00 0.00 175.10 175.27 1x47 s ILE 11 N 1.25 4.05 -0.31 2.22 1.01 -1.26 -4.92 121.20 123.24 1x47 s ILE 11 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1x47 s ILE 11 Cb -0.22 -4.99 0.09 0.00 0.01 0.00 0.00 42.46 37.35 1x47 s ILE 11 CO -0.02 -1.85 0.06 0.54 0.00 0.00 0.00 174.94 173.68 1x47 s ASN 12 N 4.60 4.33 0.06 3.58 4.22 -1.26 -4.97 114.94 125.49 1x47 s ASN 12 Ca 0.42 -1.81 -0.16 0.00 -2.14 0.00 0.00 52.86 49.17 1x47 s ASN 12 Cb -0.02 -1.24 -0.21 0.00 1.28 0.00 0.00 41.25 41.06 1x47 s ASN 12 CO -0.07 -0.38 1.20 1.55 -2.04 0.00 0.00 177.10 177.36 1x47 h PRO 13 N 7.86 0.63 -6.77 3.55 0.13 -2.08 -3.45 132.00 131.87 1x47 h PRO 13 Ca -0.10 -0.61 -0.68 0.00 -0.87 0.00 0.00 66.00 63.74 1x47 h PRO 13 Cb 1.02 0.16 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1x47 h PRO 13 CO 0.49 1.22 -0.82 0.54 -0.23 0.00 0.00 178.00 179.19 1x47 s ASN 14 N -7.03 3.69 0.02 1.44 4.22 -1.26 -5.00 114.94 111.02 1x47 s ASN 14 Ca -0.11 -0.61 0.00 0.00 -2.14 0.00 0.00 52.86 50.00 1x47 s ASN 14 Cb 0.06 -0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.15 1x47 s ASN 14 CO 0.88 0.19 0.00 0.61 -2.04 0.00 0.00 177.10 176.74 1x47 n GLY 15 N 0.92 -3.77 3.43 0.45 0.00 -1.26 -5.00 105.19 99.95 1x47 n GLY 15 Ca -0.16 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.96 3.61 0.42 1.61 -2.85 -1.26 -4.96 119.74 113.36 1x47 s LYS 16 Ca 0.00 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1x47 s LYS 16 Cb 0.00 -3.19 -0.02 0.00 -2.06 0.00 0.00 37.83 32.56 1x47 s LYS 16 CO 0.00 -0.10 0.66 -1.12 0.10 0.00 0.00 175.35 174.89 1x47 s SER 17 N 1.33 6.14 0.14 0.03 0.01 -1.26 -4.75 113.70 115.35 1x47 s SER 17 Ca 0.04 0.56 -0.32 0.00 1.31 0.00 0.00 55.95 57.54 1x47 s SER 17 Cb -0.15 -1.96 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 1x47 s SER 17 CO 0.02 -0.51 1.54 -0.08 0.41 0.00 0.00 173.24 174.63 1x47 h GLU 18 N 0.47 -0.21 -0.93 12.44 4.57 -1.97 1.47 114.58 130.43 1x47 h GLU 18 Ca -0.48 0.01 0.26 0.00 -1.18 0.00 0.00 59.36 57.97 1x47 h GLU 18 Cb 1.22 0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.70 1x47 h GLU 18 CO 0.60 -0.14 0.10 -0.39 -1.18 0.00 0.00 179.01 178.00 1x47 h VAL 19 N -0.22 0.14 0.51 0.32 -1.51 -1.85 1.38 116.25 115.02 1x47 h VAL 19 Ca 0.11 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.53 1x47 h VAL 19 Cb 0.51 0.06 0.01 0.00 -2.13 0.00 0.00 31.29 29.74 1x47 h VAL 19 CO -0.75 0.01 -0.25 0.00 -1.23 0.00 0.00 177.57 175.36 1x47 h ILE 21 N -1.17 0.01 -0.56 0.00 2.04 0.41 0.90 117.51 119.13 1x47 h ILE 21 Ca -0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1x47 h ILE 21 Cb 0.54 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.52 1x47 h ILE 21 CO 0.12 0.00 -0.33 0.25 0.00 0.00 0.00 178.15 178.19 1x47 h LEU 22 N -0.13 -1.14 0.06 1.44 7.12 0.17 0.13 115.31 122.95 1x47 h LEU 22 Ca 0.17 0.22 0.02 0.00 0.13 0.00 0.00 57.88 58.42 1x47 h LEU 22 Cb 0.50 0.56 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 1x47 h LEU 22 CO -0.83 -0.30 -0.22 -0.74 -0.13 0.00 0.00 178.44 176.22 1x47 h HIS 23 N -0.17 -0.57 0.00 1.25 2.76 0.20 0.16 115.15 118.78 1x47 h HIS 23 Ca 0.22 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1x47 h HIS 23 Cb 0.55 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1x47 h HIS 23 CO -0.62 -0.31 0.00 -1.91 -1.30 0.00 0.00 177.93 173.79 1x47 n GLU 24 N -5.34 0.00 -0.34 5.26 0.00 0.27 0.18 120.64 120.68 1x47 n GLU 24 Ca -0.06 0.77 0.19 0.00 0.00 0.00 0.00 57.16 58.07 1x47 n GLU 24 Cb 0.26 -1.42 0.41 0.00 0.00 0.00 0.00 31.44 30.68 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1x47 h TYR 25 N 0.00 0.95 0.45 4.31 5.03 -0.80 1.47 116.97 128.39 1x47 h TYR 25 Ca 0.00 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1x47 h TYR 25 Cb 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1x47 h TYR 25 CO -0.49 -0.03 -0.21 0.52 -1.32 0.00 0.00 178.16 176.63 1x47 h MET 26 N 0.48 -0.58 0.00 1.82 2.86 0.92 1.45 114.93 121.89 1x47 h MET 26 Ca 0.67 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1x47 h MET 26 Cb 1.36 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.15 1x47 h MET 26 CO -0.53 -0.30 0.00 0.94 1.06 0.00 0.00 176.91 178.08 1x47 n GLN 27 N -5.28 0.23 -0.10 1.72 7.27 0.49 0.18 117.38 121.90 1x47 n GLN 27 Ca -0.11 0.10 -0.18 0.00 0.07 0.00 0.00 57.00 56.88 1x47 n GLN 27 Cb 0.29 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.31 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 -1.34 0.68 -0.05 3.69 0.63 0.49 -3.81 116.66 116.95 1x47 n ARG 28 Ca 0.09 0.17 -0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1x47 n ARG 28 Cb 0.18 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 31.51 1x47 n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1x47 n VAL 29 N -3.29 0.85 -0.17 5.15 0.31 0.49 -4.60 118.33 117.08 1x47 n VAL 29 Ca -0.42 0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 1x47 n VAL 29 Cb 1.01 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.96 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x47 h LEU 30 N -0.57 0.67 -1.78 7.52 3.38 0.04 -3.48 115.31 121.09 1x47 h LEU 30 Ca 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1x47 h LEU 30 Cb 0.52 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1x47 h LEU 30 CO 0.00 0.67 -0.10 0.29 0.09 0.00 0.00 178.44 179.39 1x47 n LYS 31 N -4.56 -0.91 -3.72 1.13 5.02 0.49 -4.95 118.16 110.66 1x47 n LYS 31 Ca 0.01 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1x47 n LYS 31 Cb 0.17 -2.95 -0.09 0.00 -0.02 0.00 0.00 35.03 32.14 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 -3.05 0.03 -0.38 -0.18 -7.23 -1.23 -4.93 120.40 103.43 1x47 s VAL 32 Ca 0.01 -0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 59.68 1x47 s VAL 32 Cb -0.01 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.29 1x47 s VAL 32 CO 0.10 -0.14 0.89 -0.13 -0.31 0.00 0.00 175.10 175.50 1x47 s ARG 33 N -0.83 3.78 0.29 4.82 0.52 -1.26 -3.73 118.95 122.54 1x47 s ARG 33 Ca -0.09 0.46 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 1x47 s ARG 33 Cb -0.04 -3.82 -0.09 0.00 0.52 0.00 0.00 34.95 31.52 1x47 s ARG 33 CO 0.04 -0.95 1.08 -1.25 0.02 0.00 0.00 175.30 174.24 1x47 s PRO 34 N 3.40 4.62 -0.13 3.54 0.04 -1.26 -4.53 135.00 140.68 1x47 s PRO 34 Ca 0.36 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1x47 s PRO 34 Cb -0.12 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1x47 s PRO 34 CO 0.19 0.21 0.13 0.08 0.04 0.00 0.00 177.00 177.65 1x47 s VAL 35 N -1.21 5.43 -0.45 -0.36 1.01 0.14 -4.96 120.40 119.99 1x47 s VAL 35 Ca 0.45 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1x47 s VAL 35 Cb -0.30 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1x47 s VAL 35 CO 0.39 0.59 0.37 -0.31 0.00 0.00 0.00 175.10 176.14 1x47 s TYR 36 N -0.78 3.24 -0.16 5.22 1.51 -1.26 0.53 117.35 125.65 1x47 s TYR 36 Ca 0.14 -0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 55.21 1x47 s TYR 36 Cb -0.12 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 1x47 s TYR 36 CO 0.03 -0.74 0.46 -0.80 -1.11 0.00 0.00 175.55 173.39 1x47 s ASN 37 N 2.33 6.58 0.18 2.29 0.01 0.74 -4.94 114.94 122.13 1x47 s ASN 37 Ca 0.05 0.69 0.10 0.00 -0.71 0.00 0.00 52.86 52.99 1x47 s ASN 37 Cb -0.23 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1x47 s ASN 37 CO 0.08 -0.06 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.06 1x47 s PHE 38 N 1.05 2.43 0.31 2.20 0.40 -1.26 0.62 117.98 123.73 1x47 s PHE 38 Ca 0.23 -0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 1x47 s PHE 38 Cb -0.15 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.19 1x47 s PHE 38 CO 0.09 0.49 0.65 -0.59 0.70 0.00 0.00 175.22 176.56 1x47 s PHE 39 N -1.60 0.17 0.03 0.36 -0.12 -1.19 -4.99 117.98 110.64 1x47 s PHE 39 Ca 0.21 -0.63 -0.17 0.00 -0.05 0.00 0.00 56.93 56.29 1x47 s PHE 39 Cb -0.09 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 1x47 s PHE 39 CO 0.11 -1.25 0.48 -1.21 -0.05 0.00 0.00 175.22 173.31 1x47 s GLU 40 N -3.44 4.05 -0.02 1.99 8.01 -1.26 -4.00 118.70 124.03 1x47 s GLU 40 Ca 0.17 0.56 0.04 0.00 0.01 0.00 0.00 54.97 55.75 1x47 s GLU 40 Cb -0.04 -3.23 -0.03 0.00 -4.31 0.00 0.00 34.13 26.52 1x47 s GLU 40 CO 0.10 0.67 -0.12 0.00 0.01 0.00 0.00 175.26 175.92 1x47 n GLU 42 N 1.92 2.50 -4.73 0.00 4.07 -1.26 -4.75 120.64 118.39 1x47 n GLU 42 Ca -0.16 -2.88 -0.24 0.00 -0.06 0.00 0.00 57.16 53.81 1x47 n GLU 42 Cb 0.52 -2.14 -0.16 0.00 -0.06 0.00 0.00 31.44 29.60 1x47 n GLU 42 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1x47 s ASN 43 N -0.78 1.92 -0.08 4.31 -0.87 -1.26 -5.05 114.94 113.13 1x47 s ASN 43 Ca 0.54 -0.31 -0.27 0.00 -1.57 0.00 0.00 52.86 51.25 1x47 s ASN 43 Cb 0.42 -0.47 -0.23 0.00 -0.02 0.00 0.00 41.25 40.94 1x47 s ASN 43 CO -0.19 0.14 1.02 1.55 -2.57 0.00 0.00 177.10 177.05 1x47 h PRO 44 N 6.19 0.03 -0.64 -0.60 0.13 -1.98 -2.25 132.00 132.88 1x47 h PRO 44 Ca -0.33 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.88 1x47 h PRO 44 Cb 1.17 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1x47 h PRO 44 CO 0.48 0.77 -0.34 0.77 -0.23 0.00 0.00 178.00 179.45 1x47 h SER 45 N -0.70 -1.18 -2.74 1.44 0.02 -1.97 -3.32 113.55 105.09 1x47 h SER 45 Ca -0.00 0.24 -0.58 0.00 -0.84 0.00 0.00 61.79 60.61 1x47 h SER 45 Cb 0.78 0.59 -0.39 0.00 0.14 0.00 0.00 62.40 63.52 1x47 h SER 45 CO 0.01 -0.30 -0.82 -1.61 -1.14 0.00 0.00 176.83 172.96 1x47 s GLU 46 N -6.00 0.57 0.20 3.45 2.02 -1.25 -4.41 118.70 113.28 1x47 s GLU 46 Ca -0.14 -1.25 0.06 0.00 0.02 0.00 0.00 54.97 53.65 1x47 s GLU 46 Cb 0.16 -1.41 0.10 0.00 0.10 0.00 0.00 34.13 33.09 1x47 s GLU 46 CO 0.70 -1.16 1.46 -1.00 0.02 0.00 0.00 175.26 175.27 1x47 h PRO 47 N 7.26 0.12 -6.39 0.39 0.13 -1.47 -3.41 132.00 128.62 1x47 h PRO 47 Ca 0.00 -0.11 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 1x47 h PRO 47 Cb 0.97 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 1x47 h PRO 47 CO 0.32 0.84 0.93 -0.06 -0.23 0.00 0.00 178.00 179.80 1x47 s PHE 48 N -3.33 2.82 0.03 1.56 0.40 -1.13 -2.85 117.98 115.49 1x47 s PHE 48 Ca -0.02 0.94 0.05 0.00 -0.60 0.00 0.00 56.93 57.30 1x47 s PHE 48 Cb 0.11 -3.93 -0.02 0.00 0.51 0.00 0.00 43.02 39.70 1x47 s PHE 48 CO 0.80 -1.40 -0.15 0.20 0.70 0.00 0.00 175.22 175.37 1x47 s GLY 49 N 2.47 0.81 0.08 4.36 0.00 -1.26 -0.16 107.32 113.63 1x47 s GLY 49 Ca 0.52 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 1x47 s GLY 49 CO 0.22 -0.74 0.12 0.00 0.00 0.00 0.00 173.10 172.70 1x47 s ALA 50 N -0.69 0.03 0.01 3.20 0.00 -0.12 -3.17 121.76 121.00 1x47 s ALA 50 Ca 0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1x47 s ALA 50 Cb -0.07 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1x47 s ALA 50 CO 0.01 -0.47 0.05 -1.54 0.00 0.00 0.00 175.76 173.81 1x47 s SER 51 N -2.89 0.10 -0.27 0.00 1.04 0.20 -1.47 113.70 110.42 1x47 s SER 51 Ca 0.06 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 1x47 s SER 51 Cb 0.06 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1x47 s SER 51 CO -0.10 -0.28 0.14 -0.69 0.98 0.00 0.00 173.24 173.29 1x47 s VAL 52 N -1.17 4.91 -0.19 5.02 1.01 -0.25 -0.18 120.40 129.54 1x47 s VAL 52 Ca -0.13 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1x47 s VAL 52 Cb -0.07 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1x47 s VAL 52 CO 0.00 0.29 -0.04 0.42 0.00 0.00 0.00 175.10 175.77 1x47 s THR 53 N 1.70 3.66 -0.41 3.92 -4.23 0.19 -1.96 115.64 118.51 1x47 s THR 53 Ca 0.07 -0.42 -0.15 0.00 -1.18 0.00 0.00 61.69 60.01 1x47 s THR 53 Cb -0.16 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.07 1x47 s THR 53 CO 0.08 0.45 0.30 -0.63 -0.54 0.00 0.00 174.62 174.28 1x47 s ILE 54 N 0.93 5.23 -1.96 2.99 1.01 0.50 0.24 121.20 130.14 1x47 s ILE 54 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1x47 s ILE 54 Cb -0.15 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1x47 s ILE 54 CO 0.01 -0.30 0.00 -0.67 0.00 0.00 0.00 174.94 173.98 1x47 n ASP 55 N 5.15 -5.41 0.00 3.58 -0.08 -1.26 0.62 116.55 119.16 1x47 n ASP 55 Ca -0.11 0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1x47 n ASP 55 Cb 0.47 -4.62 0.00 0.00 2.34 0.00 0.00 41.12 39.31 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x47 n GLY 56 N -0.25 0.54 3.58 0.27 0.00 -1.26 -5.06 105.19 103.01 1x47 n GLY 56 Ca -0.18 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 -2.00 5.17 0.33 1.61 1.01 0.20 -5.01 120.40 121.71 1x47 s VAL 57 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1x47 s VAL 57 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1x47 s VAL 57 CO 0.00 0.29 1.21 -0.89 0.00 0.00 0.00 175.10 175.71 1x47 s THR 58 N 1.57 3.06 0.00 3.92 2.01 -1.26 0.19 115.64 125.12 1x47 s THR 58 Ca 0.07 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1x47 s THR 58 Cb -0.15 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1x47 s THR 58 CO 0.08 0.22 0.00 -1.22 -0.69 0.00 0.00 174.62 173.02 1x47 n TYR 59 N 0.81 0.00 -4.38 4.92 4.02 -0.83 -4.88 117.16 116.82 1x47 n TYR 59 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.44 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.65 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 -1.56 1.78 0.22 2.72 0.00 -1.25 -4.82 107.32 104.40 1x47 s GLY 60 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 1x47 s GLY 60 CO 0.00 -0.31 0.34 -0.45 0.00 0.00 0.00 173.10 172.68 1x47 s SER 61 N -0.22 0.01 0.00 1.64 0.15 -1.26 -1.09 113.70 112.93 1x47 s SER 61 Ca 0.05 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1x47 s SER 61 Cb -0.13 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x47 s SER 61 CO 0.02 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1x47 n GLY 62 N -0.32 -1.46 3.36 9.45 0.00 -0.54 -4.68 105.19 110.99 1x47 n GLY 62 Ca -0.02 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.07 0.40 0.17 2.61 -4.23 -1.26 -0.95 115.64 110.31 1x47 s THR 63 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1x47 s THR 63 Cb 0.00 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1x47 s THR 63 CO 0.00 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.95 1x47 n ALA 64 N -0.61 -2.24 0.12 3.99 0.00 0.78 -4.62 120.51 117.93 1x47 n ALA 64 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1x47 n ALA 64 Cb 0.65 0.51 0.02 0.00 0.00 0.00 0.00 19.45 20.63 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 1.68 0.00 -3.81 0.00 0.02 -1.83 -2.98 113.55 106.63 1x47 h SER 65 Ca -0.24 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.03 1x47 h SER 65 Cb 1.02 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.37 1x47 h SER 65 CO 0.31 0.62 -0.81 -0.44 -1.14 0.00 0.00 176.83 175.38 1x47 s SER 66 N -6.52 3.84 0.10 3.07 0.01 -1.26 -4.74 113.70 108.19 1x47 s SER 66 Ca 0.03 -0.53 -0.32 0.00 1.31 0.00 0.00 55.95 56.44 1x47 s SER 66 Cb 0.08 -0.55 -0.12 0.00 0.21 0.00 0.00 66.02 65.64 1x47 s SER 66 CO 0.76 0.20 1.59 0.50 0.41 0.00 0.00 173.24 176.70 1x47 h LYS 67 N 3.98 -0.71 -0.52 12.44 3.64 -1.91 -1.75 116.57 131.74 1x47 h LYS 67 Ca -0.49 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1x47 h LYS 67 Cb 1.16 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 1x47 h LYS 67 CO 0.46 -0.47 -0.55 0.87 -2.27 0.00 0.00 179.45 177.49 1x47 h LYS 68 N -0.73 -0.29 -0.99 1.90 1.57 -1.98 0.99 116.57 117.04 1x47 h LYS 68 Ca -0.01 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1x47 h LYS 68 Cb 0.70 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.93 1x47 h LYS 68 CO -0.15 -0.19 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.00 1x47 h LEU 69 N -0.30 -1.74 -0.26 2.94 -0.00 -1.89 1.58 115.31 115.64 1x47 h LEU 69 Ca 0.09 0.32 0.06 0.00 -0.00 0.00 0.00 57.88 58.35 1x47 h LEU 69 Cb 0.54 0.84 -0.08 0.00 -0.00 0.00 0.00 40.66 41.96 1x47 h LEU 69 CO -0.65 -0.27 -0.36 0.00 -0.00 0.00 0.00 178.44 177.17 1x47 h ALA 70 N 1.01 -0.36 -0.54 1.53 0.00 -0.01 1.22 119.26 122.11 1x47 h ALA 70 Ca 0.27 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1x47 h ALA 70 Cb 0.52 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1x47 h ALA 70 CO -0.96 -0.81 0.26 -0.22 0.00 0.00 0.00 179.25 177.52 1x47 h LYS 71 N -0.36 0.47 -0.05 0.00 3.64 0.19 0.60 116.57 121.06 1x47 h LYS 71 Ca 0.12 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1x47 h LYS 71 Cb 0.56 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1x47 h LYS 71 CO -0.46 0.31 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.06 1x47 h ASN 72 N 0.49 -0.19 -0.27 4.20 4.21 0.40 0.05 115.58 124.46 1x47 h ASN 72 Ca 0.25 0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.82 1x47 h ASN 72 Cb 0.20 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 1x47 h ASN 72 CO -0.20 -0.09 0.13 0.11 -1.29 0.00 0.00 177.43 176.10 1x47 h LYS 73 N -0.09 0.28 -0.46 0.81 1.57 0.22 1.46 116.57 120.37 1x47 h LYS 73 Ca 0.04 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1x47 h LYS 73 Cb 0.15 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 1x47 h LYS 73 CO -0.11 0.18 -0.17 0.00 -0.57 0.00 0.00 179.45 178.78 1x47 h ALA 74 N 1.14 0.20 -0.01 3.86 0.00 0.72 1.20 119.26 126.37 1x47 h ALA 74 Ca 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x47 h ALA 74 Cb 0.04 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x47 h ALA 74 CO -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 179.25 178.65 1x47 h ALA 75 N 1.30 0.01 -0.93 0.00 0.00 -0.42 -2.25 119.26 116.97 1x47 h ALA 75 Ca 0.22 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1x47 h ALA 75 Cb 0.41 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1x47 h ALA 75 CO -0.51 -0.25 0.62 -0.09 0.00 0.00 0.00 179.25 179.02 1x47 h ARG 76 N -0.45 0.32 0.34 0.00 2.43 0.29 -0.29 114.38 117.03 1x47 h ARG 76 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1x47 h ARG 76 Cb 0.47 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1x47 h ARG 76 CO 0.00 0.21 -0.17 0.00 -1.51 0.00 0.00 179.97 178.51 1x47 h ALA 77 N 1.60 -0.70 -0.97 2.80 0.00 0.16 -2.62 119.26 119.52 1x47 h ALA 77 Ca 0.49 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.62 1x47 h ALA 77 Cb 1.34 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 1x47 h ALA 77 CO -0.17 -0.67 0.31 1.15 0.00 0.00 0.00 179.25 179.87 1x47 h THR 78 N -0.71 0.11 0.40 0.00 2.02 -0.76 0.20 112.91 114.17 1x47 h THR 78 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1x47 h THR 78 Cb 0.35 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1x47 h THR 78 CO 0.08 0.02 -0.41 -0.07 0.37 0.00 0.00 175.52 175.51 1x47 h LEU 79 N 0.08 -1.12 -0.91 2.58 3.38 -1.07 -2.22 115.31 116.04 1x47 h LEU 79 Ca 0.69 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.90 1x47 h LEU 79 Cb 1.60 0.37 -0.16 0.00 0.09 0.00 0.00 40.66 42.56 1x47 h LEU 79 CO -0.78 -0.54 -0.34 -0.33 0.09 0.00 0.00 178.44 176.55 1x47 h GLU 80 N -0.81 -0.03 -0.64 1.13 5.08 -0.24 1.56 114.58 120.64 1x47 h GLU 80 Ca -0.05 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1x47 h GLU 80 Cb 0.70 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 1x47 h GLU 80 CO -0.05 -0.02 -0.34 0.82 -1.00 0.00 0.00 179.01 178.42 1x47 h ILE 81 N -0.03 0.15 0.00 3.13 2.04 -0.93 -3.11 117.51 118.77 1x47 h ILE 81 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1x47 h ILE 81 Cb 0.61 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1x47 h ILE 81 CO -0.93 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.40 1x47 n LEU 82 N -5.44 0.38 -4.62 1.44 4.77 0.15 -4.66 117.00 109.01 1x47 n LEU 82 Ca 0.05 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1x47 n LEU 82 Cb 0.36 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1x47 n LEU 82 CO -0.01 -0.41 1.26 -0.63 -1.33 0.00 0.00 177.39 176.27 1x47 s ILE 83 N -1.37 3.90 0.07 -0.08 1.01 0.49 -4.88 121.20 120.34 1x47 s ILE 83 Ca 0.00 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 61.50 1x47 s ILE 83 Cb 0.00 -3.96 -0.21 0.00 0.01 0.00 0.00 42.46 38.30 1x47 s ILE 83 CO 0.00 -0.44 1.21 1.55 0.00 0.00 0.00 174.94 177.26 1x47 h PRO 84 N 10.25 0.68 -2.38 2.79 0.13 -1.82 -3.32 132.00 138.34 1x47 h PRO 84 Ca -0.30 -0.67 -0.60 0.00 -0.87 0.00 0.00 66.00 63.56 1x47 h PRO 84 Cb 1.12 0.17 -0.42 0.00 0.13 0.00 0.00 31.00 32.01 1x47 h PRO 84 CO 1.03 1.26 -0.59 -0.25 -0.23 0.00 0.00 178.00 179.23 1x47 n ASP 85 N -3.95 3.62 -0.09 1.44 9.92 -1.26 -4.85 116.55 121.38 1x47 n ASP 85 Ca -0.10 -3.40 -0.20 0.00 -0.53 0.00 0.00 54.79 50.56 1x47 n ASP 85 Cb 0.80 -0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 40.47 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 4.42 0.04 -4.18 1.24 3.57 -1.95 -3.46 116.94 116.62 1x47 h PHE 86 Ca 0.19 -0.03 -0.69 0.00 3.53 0.00 0.00 57.97 60.97 1x47 h PHE 86 Cb 0.68 -0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.13 1x47 h PHE 86 CO 0.71 1.38 -0.85 0.14 -2.23 0.00 0.00 178.31 177.46 1x47 s VAL 87 N -2.34 2.35 -0.80 1.41 -7.23 -1.26 -5.07 120.40 107.45 1x47 s VAL 87 Ca -0.26 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 1x47 s VAL 87 Cb 0.04 -1.87 0.20 0.00 0.56 0.00 0.00 36.38 35.31 1x47 s VAL 87 CO 0.63 0.58 0.68 -0.54 -0.31 0.00 0.00 175.10 176.14 1x47 s LYS 88 N -0.41 3.17 0.40 4.82 1.02 -1.26 -4.64 119.74 122.84 1x47 s LYS 88 Ca 0.04 -2.84 0.00 0.00 0.02 0.00 0.00 55.97 53.19 1x47 s LYS 88 Cb -0.12 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 1x47 s LYS 88 CO 0.01 -1.23 0.00 1.04 -0.92 0.00 0.00 175.35 174.25 1x47 n GLN 89 N 3.11 0.00 -2.68 1.68 6.02 -1.26 -5.14 117.38 119.10 1x47 n GLN 89 Ca 0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.92 1x47 n GLN 89 Cb 0.39 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.74 1x47 n GLN 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x47 s THR 90 N -2.00 2.23 -0.29 5.09 -4.23 -1.26 -5.11 115.64 110.07 1x47 s THR 90 Ca 0.00 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1x47 s THR 90 Cb 0.00 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.48 1x47 s THR 90 CO 0.00 0.00 0.83 -0.55 -0.54 0.00 0.00 174.62 174.36 1x47 s SER 91 N -4.67 -0.99 -0.31 3.99 0.15 -1.26 -5.09 113.70 105.51 1x47 s SER 91 Ca 0.64 0.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 1x47 s SER 91 Cb -0.06 1.65 0.12 0.00 -1.71 0.00 0.00 66.02 66.01 1x47 s SER 91 CO 0.42 -0.18 0.18 -0.70 1.20 0.00 0.00 173.24 174.16 1x47 s GLU 92 N 2.90 0.34 -0.20 5.44 2.12 -1.26 -5.10 118.70 122.93 1x47 s GLU 92 Ca 0.18 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1x47 s GLU 92 Cb -0.06 -1.15 0.04 0.00 0.26 0.00 0.00 34.13 33.21 1x47 s GLU 92 CO -0.24 -1.09 -0.14 0.45 -0.54 0.00 0.00 175.26 173.70 1x47 s SER 93 N 1.74 3.47 0.14 -1.70 0.15 -1.26 -5.09 113.70 111.14 1x47 s SER 93 Ca 0.12 -0.88 -0.10 0.00 0.70 0.00 0.00 55.95 55.79 1x47 s SER 93 Cb -0.18 -1.37 0.04 0.00 -1.71 0.00 0.00 66.02 62.79 1x47 s SER 93 CO -0.22 -0.10 0.48 0.61 1.20 0.00 0.00 173.24 175.21 1x47 n GLY 94 N 4.62 1.14 3.76 9.45 0.00 -1.26 -5.15 105.19 117.75 1x47 n GLY 94 Ca -0.17 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.03 4.63 -0.30 1.61 0.04 -1.26 -5.02 135.00 132.67 1x47 s PRO 95 Ca 0.10 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 1x47 s PRO 95 Cb -0.02 -3.16 0.19 0.00 0.04 0.00 0.00 34.50 31.55 1x47 s PRO 95 CO 0.04 0.22 0.87 0.45 0.04 0.00 0.00 177.00 178.62 1x47 s SER 96 N -0.95 -0.88 -0.16 6.66 0.15 -1.26 -5.14 113.70 112.11 1x47 s SER 96 Ca 0.45 0.27 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1x47 s SER 96 Cb -0.31 1.62 0.02 0.00 -1.71 0.00 0.00 66.02 65.65 1x47 s SER 96 CO 0.39 -0.16 -0.17 -0.55 1.20 0.00 0.00 173.24 173.95 1x47 s SER 97 N 2.91 2.91 0.00 5.45 0.15 -1.26 -5.31 113.70 118.56 1x47 s SER 97 Ca 0.15 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1x47 s SER 97 Cb -0.08 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1x47 s SER 97 CO -0.20 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.82