#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 6.84 0.19 1.61 0.15 -1.26 -4.84 113.70 116.39 1x47 s SER 2 Ca 0.00 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1x47 s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x47 s SER 2 CO 0.00 -0.69 0.00 -1.20 1.20 0.00 0.00 173.24 172.55 1x47 n SER 3 N 4.81 0.30 0.00 5.45 7.64 -1.26 -5.10 113.62 125.46 1x47 n SER 3 Ca 0.12 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1x47 n SER 3 Cb 0.43 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 2.29 3.57 1.79 0.23 0.00 -1.26 -4.46 105.19 107.35 1x47 n GLY 4 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 8.27 0.09 -1.37 1.61 7.64 -1.26 -5.08 113.62 123.52 1x47 n SER 5 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1x47 n SER 5 Cb 0.00 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1x47 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x47 n SER 6 N -3.35 -7.58 0.00 6.43 7.64 -1.26 -4.96 113.62 110.54 1x47 n SER 6 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x47 n SER 6 Cb 0.02 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1x47 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 7 N -0.91 2.02 3.24 0.23 0.00 -1.26 -5.14 105.19 103.36 1x47 n GLY 7 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1x47 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x47 s GLU 8 N -0.27 1.01 -1.09 1.61 -6.30 -1.26 -4.85 118.70 107.55 1x47 s GLU 8 Ca 0.00 -1.16 -0.19 0.00 -2.50 0.00 0.00 54.97 51.12 1x47 s GLU 8 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 34.13 33.11 1x47 s GLU 8 CO 0.00 0.21 0.77 1.19 0.02 0.00 0.00 175.26 177.45 1x47 n PHE 9 N 0.83 -1.95 -2.70 5.30 3.01 -1.26 -4.91 117.46 115.78 1x47 n PHE 9 Ca -0.18 0.49 -0.04 0.00 1.01 0.00 0.00 57.45 58.74 1x47 n PHE 9 Cb 0.55 -3.38 0.11 0.00 -0.01 0.00 0.00 39.48 36.75 1x47 n PHE 9 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1x47 n VAL 10 N -3.97 0.20 -4.07 -4.37 3.14 -1.26 -5.12 118.33 102.87 1x47 n VAL 10 Ca -0.10 -1.48 -0.35 0.00 -2.96 0.00 0.00 64.34 59.44 1x47 n VAL 10 Cb 0.59 1.01 -0.07 0.00 -1.06 0.00 0.00 33.84 34.31 1x47 n VAL 10 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1x47 s ILE 11 N -0.47 4.99 0.00 1.55 -1.09 -1.26 -5.05 121.20 119.87 1x47 s ILE 11 Ca 0.16 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1x47 s ILE 11 Cb 0.42 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1x47 s ILE 11 CO -0.10 0.54 0.00 -0.46 -1.23 0.00 0.00 174.94 173.69 1x47 n ASN 12 N 1.79 0.00 -3.42 3.58 6.94 -1.26 -5.05 115.26 117.84 1x47 n ASN 12 Ca -0.18 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.03 1x47 n ASN 12 Cb 0.54 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 1x47 n ASN 12 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1x47 n PRO 13 N 0.00 2.51 -3.48 -0.53 -0.04 -1.26 -4.67 135.00 127.53 1x47 n PRO 13 Ca 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1x47 n PRO 13 Cb 0.00 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 1x47 n PRO 13 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1x47 s ASN 14 N 3.42 -0.65 0.03 3.54 3.84 -1.26 -5.12 114.94 118.75 1x47 s ASN 14 Ca 0.52 0.91 0.00 0.00 0.21 0.00 0.00 52.86 54.51 1x47 s ASN 14 Cb 0.14 1.66 0.00 0.00 -0.55 0.00 0.00 41.25 42.50 1x47 s ASN 14 CO -0.02 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 1x47 n GLY 15 N 4.80 -3.90 3.38 1.21 0.00 -1.26 -5.04 105.19 104.39 1x47 n GLY 15 Ca -0.11 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.69 3.11 0.59 1.61 -2.85 -1.26 -5.07 119.74 113.17 1x47 s LYS 16 Ca 0.00 -0.71 0.10 0.00 -1.00 0.00 0.00 55.97 54.36 1x47 s LYS 16 Cb 0.00 -2.53 0.09 0.00 -2.06 0.00 0.00 37.83 33.34 1x47 s LYS 16 CO 0.00 0.32 0.80 -1.12 0.10 0.00 0.00 175.35 175.46 1x47 s SER 17 N 0.06 5.04 0.19 0.03 0.01 -1.26 -4.85 113.70 112.92 1x47 s SER 17 Ca -0.06 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 1x47 s SER 17 Cb -0.15 0.39 0.16 0.00 0.21 0.00 0.00 66.02 66.63 1x47 s SER 17 CO 0.05 -1.39 1.79 -0.08 0.41 0.00 0.00 173.24 174.02 1x47 h GLU 18 N 0.15 0.54 -0.68 12.44 4.57 -1.97 0.77 114.58 130.39 1x47 h GLU 18 Ca -0.29 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1x47 h GLU 18 Cb 1.29 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1x47 h GLU 18 CO 0.41 0.36 0.46 -0.39 -1.18 0.00 0.00 179.01 178.67 1x47 h VAL 19 N 0.56 0.81 0.00 0.32 -1.51 -1.86 1.13 116.25 115.69 1x47 h VAL 19 Ca 0.24 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.59 1x47 h VAL 19 Cb 0.13 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1x47 h VAL 19 CO -0.16 0.06 -0.04 0.00 -1.23 0.00 0.00 177.57 176.20 1x47 h ILE 21 N -1.00 0.00 -0.99 0.00 2.04 0.14 0.43 117.51 118.12 1x47 h ILE 21 Ca -0.01 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.15 1x47 h ILE 21 Cb 0.76 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.66 1x47 h ILE 21 CO -0.01 0.00 0.16 0.25 0.00 0.00 0.00 178.15 178.55 1x47 h LEU 22 N -0.58 -0.27 0.84 1.44 7.12 0.11 0.35 115.31 124.31 1x47 h LEU 22 Ca -0.02 0.27 -0.04 0.00 0.13 0.00 0.00 57.88 58.22 1x47 h LEU 22 Cb 0.54 0.43 0.01 0.00 -0.53 0.00 0.00 40.66 41.11 1x47 h LEU 22 CO -0.12 -0.37 -0.40 -0.74 -0.13 0.00 0.00 178.44 176.68 1x47 h HIS 23 N 0.02 -1.04 0.00 1.25 2.76 -1.14 -1.54 115.15 115.46 1x47 h HIS 23 Ca 0.66 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 1x47 h HIS 23 Cb 1.47 0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.77 1x47 h HIS 23 CO -0.38 -0.64 0.00 -1.91 -1.30 0.00 0.00 177.93 173.70 1x47 n GLU 24 N -5.53 0.00 -0.29 5.26 0.00 0.14 0.12 120.64 120.35 1x47 n GLU 24 Ca -0.14 0.89 0.06 0.00 0.00 0.00 0.00 57.16 57.98 1x47 n GLU 24 Cb 0.45 -1.38 0.17 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 -0.16 0.72 4.31 5.03 -1.28 1.34 116.97 126.93 1x47 h TYR 25 Ca 0.00 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 1x47 h TYR 25 Cb 0.00 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1x47 h TYR 25 CO -0.77 -0.31 -0.50 0.52 -1.32 0.00 0.00 178.16 175.78 1x47 h MET 26 N 0.06 -1.12 0.00 1.82 2.86 0.37 1.53 114.93 120.44 1x47 h MET 26 Ca 0.45 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1x47 h MET 26 Cb 0.80 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1x47 h MET 26 CO -0.77 -0.75 0.00 0.94 1.06 0.00 0.00 176.91 177.39 1x47 n GLN 27 N -5.61 0.21 -0.09 1.72 7.27 0.33 0.23 117.38 121.43 1x47 n GLN 27 Ca -0.14 0.15 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1x47 n GLN 27 Cb 0.50 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.53 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 -1.26 0.65 -0.12 3.69 0.63 0.45 -3.49 116.66 117.21 1x47 n ARG 28 Ca 0.07 0.27 -0.23 0.00 -0.92 0.00 0.00 57.85 57.04 1x47 n ARG 28 Cb 0.10 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.33 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 -3.72 1.52 0.03 5.15 0.24 0.51 -4.53 118.33 117.53 1x47 n VAL 29 Ca -0.42 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 61.53 1x47 n VAL 29 Cb 0.94 -2.03 -0.05 0.00 -1.47 0.00 0.00 33.84 31.23 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 0.75 -1.66 1.34 3.38 0.27 -3.48 115.31 114.91 1x47 h LEU 30 Ca -0.47 -0.54 -0.26 0.00 0.09 0.00 0.00 57.88 56.70 1x47 h LEU 30 Cb 1.39 -0.22 0.13 0.00 0.09 0.00 0.00 40.66 42.04 1x47 h LEU 30 CO -0.29 1.33 -0.59 0.29 0.09 0.00 0.00 178.44 179.27 1x47 n LYS 31 N -3.85 -5.20 -3.97 1.13 5.02 0.52 -4.91 118.16 106.89 1x47 n LYS 31 Ca -0.07 0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 1x47 n LYS 31 Cb 0.79 -5.10 -0.08 0.00 -0.02 0.00 0.00 35.03 30.62 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 -3.28 0.13 -0.39 -0.18 -7.23 -1.25 -4.92 120.40 103.29 1x47 s VAL 32 Ca 0.04 -1.47 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 1x47 s VAL 32 Cb -0.02 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1x47 s VAL 32 CO 0.56 -0.61 0.51 -0.13 -0.31 0.00 0.00 175.10 175.12 1x47 s ARG 33 N -3.93 3.41 -0.06 4.82 0.52 -1.26 -3.84 118.95 118.62 1x47 s ARG 33 Ca 0.11 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1x47 s ARG 33 Cb 0.06 -3.88 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1x47 s ARG 33 CO -0.06 -0.76 1.22 -1.25 0.02 0.00 0.00 175.30 174.47 1x47 s PRO 34 N 2.38 4.34 0.02 3.54 0.04 -1.26 -4.48 135.00 139.58 1x47 s PRO 34 Ca 0.17 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1x47 s PRO 34 Cb -0.16 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1x47 s PRO 34 CO 0.14 -0.47 0.74 0.08 0.04 0.00 0.00 177.00 177.53 1x47 s VAL 35 N 2.30 4.81 -0.48 -0.36 1.01 0.14 -4.90 120.40 122.92 1x47 s VAL 35 Ca 0.57 1.56 -0.14 0.00 0.00 0.00 0.00 61.98 63.96 1x47 s VAL 35 Cb -0.25 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.14 1x47 s VAL 35 CO 0.22 0.35 0.40 -0.31 0.00 0.00 0.00 175.10 175.75 1x47 s TYR 36 N 0.09 3.27 -0.16 5.22 1.51 -1.26 0.13 117.35 126.14 1x47 s TYR 36 Ca 0.38 -1.14 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 1x47 s TYR 36 Cb -0.20 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 1x47 s TYR 36 CO 0.21 -0.86 0.52 -0.80 -1.11 0.00 0.00 175.55 173.51 1x47 s ASN 37 N 2.75 6.65 0.11 2.29 0.01 1.00 -4.90 114.94 122.85 1x47 s ASN 37 Ca 0.04 0.77 0.08 0.00 -0.71 0.00 0.00 52.86 53.04 1x47 s ASN 37 Cb -0.25 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1x47 s ASN 37 CO 0.05 -0.11 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.03 1x47 s PHE 38 N 1.21 2.66 0.34 2.20 0.40 -1.26 0.19 117.98 123.71 1x47 s PHE 38 Ca 0.26 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.24 1x47 s PHE 38 Cb -0.15 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1x47 s PHE 38 CO 0.10 0.41 0.69 -0.59 0.70 0.00 0.00 175.22 176.54 1x47 s PHE 39 N -1.20 0.21 0.42 0.36 -0.12 -0.30 -4.98 117.98 112.39 1x47 s PHE 39 Ca 0.20 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 1x47 s PHE 39 Cb -0.11 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1x47 s PHE 39 CO 0.12 -1.36 0.63 -1.83 -0.05 0.00 0.00 175.22 172.73 1x47 s GLU 40 N -3.01 3.14 0.15 1.99 -1.05 -1.26 -1.92 118.70 116.74 1x47 s GLU 40 Ca 0.17 -0.51 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 1x47 s GLU 40 Cb -0.04 -2.60 -0.04 0.00 -0.44 0.00 0.00 34.13 31.01 1x47 s GLU 40 CO 0.11 -0.17 -0.03 0.00 0.95 0.00 0.00 175.26 176.12 1x47 h GLU 42 N 2.99 0.00 -6.33 0.00 5.08 -1.91 -3.45 114.58 110.95 1x47 h GLU 42 Ca -0.47 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.33 1x47 h GLU 42 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1x47 h GLU 42 CO 0.56 0.41 -0.08 -0.80 -1.00 0.00 0.00 179.01 178.11 1x47 s ASN 43 N -6.30 6.81 0.40 1.42 0.01 -1.26 -4.98 114.94 111.04 1x47 s ASN 43 Ca 0.03 1.07 0.22 0.00 -0.71 0.00 0.00 52.86 53.47 1x47 s ASN 43 Cb 0.08 -2.29 0.62 0.00 0.41 0.00 0.00 41.25 40.07 1x47 s ASN 43 CO 0.75 0.09 1.70 1.55 -1.51 0.00 0.00 177.10 179.68 1x47 h PRO 44 N 3.49 0.00 0.02 -0.60 0.13 -2.01 -3.30 132.00 129.74 1x47 h PRO 44 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1x47 h PRO 44 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1x47 h PRO 44 CO 0.66 0.26 -0.50 0.66 -0.23 0.00 0.00 178.00 178.86 1x47 h SER 45 N 0.00 -1.52 -3.45 1.44 4.64 -1.98 -3.35 113.55 109.32 1x47 h SER 45 Ca -0.00 0.17 -0.61 0.00 -0.47 0.00 0.00 61.79 60.88 1x47 h SER 45 Cb 0.95 0.58 -0.40 0.00 -0.31 0.00 0.00 62.40 63.22 1x47 h SER 45 CO 0.03 -0.49 -0.74 -1.61 -0.87 0.00 0.00 176.83 173.15 1x47 s GLU 46 N -5.53 1.19 0.34 4.77 8.01 -1.24 -4.63 118.70 121.61 1x47 s GLU 46 Ca -0.15 -1.83 0.18 0.00 0.01 0.00 0.00 54.97 53.18 1x47 s GLU 46 Cb 0.06 -2.31 0.47 0.00 -4.31 0.00 0.00 34.13 28.04 1x47 s GLU 46 CO 0.56 -1.12 1.63 -1.00 0.01 0.00 0.00 175.26 175.34 1x47 h PRO 47 N 7.01 0.00 -6.15 0.39 0.13 -1.69 -3.40 132.00 128.28 1x47 h PRO 47 Ca -0.03 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.50 1x47 h PRO 47 Cb 0.95 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.99 1x47 h PRO 47 CO 0.48 0.43 0.63 -0.06 -0.23 0.00 0.00 178.00 179.25 1x47 s PHE 48 N -3.36 3.03 0.01 1.56 0.40 -1.21 -1.47 117.98 116.93 1x47 s PHE 48 Ca 0.01 0.70 0.06 0.00 -0.60 0.00 0.00 56.93 57.10 1x47 s PHE 48 Cb 0.10 -3.78 -0.02 0.00 0.51 0.00 0.00 43.02 39.83 1x47 s PHE 48 CO 0.71 -0.92 -0.19 0.20 0.70 0.00 0.00 175.22 175.72 1x47 s GLY 49 N 2.00 0.95 0.02 4.36 0.00 -0.81 -0.75 107.32 113.09 1x47 s GLY 49 Ca 0.39 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1x47 s GLY 49 CO 0.21 -0.77 -0.02 0.00 0.00 0.00 0.00 173.10 172.52 1x47 s ALA 50 N -0.59 0.09 0.05 3.20 0.00 -0.20 -1.15 121.76 123.17 1x47 s ALA 50 Ca 0.07 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1x47 s ALA 50 Cb -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1x47 s ALA 50 CO 0.00 -0.15 -0.06 -1.54 0.00 0.00 0.00 175.76 174.01 1x47 s SER 51 N -1.35 0.79 -0.32 0.00 1.04 0.51 -1.44 113.70 112.94 1x47 s SER 51 Ca -0.15 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 1x47 s SER 51 Cb -0.09 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1x47 s SER 51 CO -0.01 -0.30 0.12 -0.69 0.98 0.00 0.00 173.24 173.34 1x47 s VAL 52 N -2.03 4.16 -0.23 5.02 1.01 0.41 -0.00 120.40 128.74 1x47 s VAL 52 Ca -0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1x47 s VAL 52 Cb -0.06 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1x47 s VAL 52 CO -0.02 -0.00 0.08 0.42 0.00 0.00 0.00 175.10 175.58 1x47 s THR 53 N 1.52 4.60 -0.37 3.92 -4.23 0.34 -1.53 115.64 119.88 1x47 s THR 53 Ca 0.02 -0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 1x47 s THR 53 Cb -0.18 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 1x47 s THR 53 CO 0.04 0.37 0.33 -0.63 -0.54 0.00 0.00 174.62 174.19 1x47 s ILE 54 N 1.17 5.21 -1.43 2.99 1.01 0.53 0.28 121.20 130.95 1x47 s ILE 54 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1x47 s ILE 54 Cb -0.14 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1x47 s ILE 54 CO 0.04 -0.16 0.00 -0.90 0.00 0.00 0.00 174.94 173.92 1x47 n ASP 55 N 5.30 -3.65 0.00 3.58 5.68 -1.26 0.13 116.55 126.33 1x47 n ASP 55 Ca -0.10 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1x47 n ASP 55 Cb 0.49 -3.37 0.00 0.00 -1.14 0.00 0.00 41.12 37.10 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x47 n GLY 56 N -0.30 1.99 3.68 6.12 0.00 -1.26 -5.05 105.19 110.37 1x47 n GLY 56 Ca -0.14 0.00 -0.42 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 -2.17 3.90 0.36 1.61 1.01 0.35 -4.92 120.40 120.54 1x47 s VAL 57 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 1x47 s VAL 57 Cb 0.00 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1x47 s VAL 57 CO 0.00 -0.03 1.10 -0.89 0.00 0.00 0.00 175.10 175.28 1x47 s THR 58 N 2.72 3.47 0.00 3.92 2.01 -1.26 0.20 115.64 126.70 1x47 s THR 58 Ca 0.62 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.90 1x47 s THR 58 Cb -0.29 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1x47 s THR 58 CO 0.24 0.16 0.00 -1.22 -0.69 0.00 0.00 174.62 173.11 1x47 n TYR 59 N 0.43 0.00 -3.16 4.92 4.02 -0.59 -4.86 117.16 117.92 1x47 n TYR 59 Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.53 1x47 n TYR 59 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.47 2.65 -0.19 2.72 0.00 -1.21 -4.83 107.32 104.99 1x47 s GLY 60 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 44.72 44.73 1x47 s GLY 60 CO 0.00 0.83 0.41 -1.35 0.00 0.00 0.00 173.10 172.99 1x47 s SER 61 N -0.15 -0.28 0.24 1.64 1.04 -1.26 0.16 113.70 115.08 1x47 s SER 61 Ca 0.33 0.96 -0.16 0.00 0.48 0.00 0.00 55.95 57.56 1x47 s SER 61 Cb -0.19 1.20 0.01 0.00 0.10 0.00 0.00 66.02 67.14 1x47 s SER 61 CO 0.18 -0.22 0.54 -0.83 0.98 0.00 0.00 173.24 173.89 1x47 s GLY 62 N 2.36 0.26 0.37 7.32 0.00 -0.52 -4.91 107.32 112.19 1x47 s GLY 62 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.11 1x47 s GLY 62 CO -0.13 -0.43 0.06 -0.51 0.00 0.00 0.00 173.10 172.09 1x47 s THR 63 N -3.97 1.25 0.19 0.90 -4.23 -1.26 -1.04 115.64 107.49 1x47 s THR 63 Ca 0.17 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 1x47 s THR 63 Cb -0.02 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.18 1x47 s THR 63 CO 0.06 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.11 1x47 n ALA 64 N -0.82 -2.52 0.01 3.99 0.00 0.07 -4.64 120.51 116.60 1x47 n ALA 64 Ca -0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 1x47 n ALA 64 Cb 0.66 0.58 -0.04 0.00 0.00 0.00 0.00 19.45 20.66 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 1.89 0.75 -1.67 0.00 0.87 -1.84 -3.21 113.55 110.35 1x47 h SER 65 Ca -0.27 -0.51 -0.50 0.00 -1.23 0.00 0.00 61.79 59.29 1x47 h SER 65 Cb 1.15 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 1x47 h SER 65 CO 0.35 1.29 -0.42 -0.55 -0.53 0.00 0.00 176.83 176.97 1x47 s SER 66 N -7.07 5.11 -0.04 6.23 0.15 -1.26 -4.70 113.70 112.11 1x47 s SER 66 Ca -0.08 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 1x47 s SER 66 Cb 0.09 -0.73 -0.17 0.00 -1.71 0.00 0.00 66.02 63.50 1x47 s SER 66 CO 0.88 -0.51 1.00 0.50 1.20 0.00 0.00 173.24 176.30 1x47 h LYS 67 N 1.15 -0.18 -0.40 5.44 3.64 -1.91 -3.02 116.57 121.30 1x47 h LYS 67 Ca -0.43 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1x47 h LYS 67 Cb 1.26 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1x47 h LYS 67 CO 0.58 0.27 -0.49 0.87 -2.27 0.00 0.00 179.45 178.42 1x47 h LYS 68 N -0.77 -0.30 -0.91 1.90 1.57 -1.98 0.52 116.57 116.59 1x47 h LYS 68 Ca -0.02 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1x47 h LYS 68 Cb 0.54 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 1x47 h LYS 68 CO 0.03 -0.20 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.10 1x47 h LEU 69 N -0.31 -1.98 -0.59 2.94 -0.00 -1.98 1.35 115.31 114.73 1x47 h LEU 69 Ca 0.07 0.30 0.09 0.00 -0.00 0.00 0.00 57.88 58.34 1x47 h LEU 69 Cb 0.50 0.88 -0.11 0.00 -0.00 0.00 0.00 40.66 41.93 1x47 h LEU 69 CO -0.54 -0.21 -0.41 0.00 -0.00 0.00 0.00 178.44 177.28 1x47 h ALA 70 N 0.37 -0.24 -0.44 1.53 0.00 -1.04 1.18 119.26 120.63 1x47 h ALA 70 Ca 0.15 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1x47 h ALA 70 Cb 0.38 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1x47 h ALA 70 CO -0.86 -0.78 0.14 -0.22 0.00 0.00 0.00 179.25 177.53 1x47 h LYS 71 N -0.20 0.29 -0.16 0.00 3.64 0.18 0.54 116.57 120.87 1x47 h LYS 71 Ca 0.20 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1x47 h LYS 71 Cb 0.56 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1x47 h LYS 71 CO -0.69 0.19 -0.08 -0.97 -2.27 0.00 0.00 179.45 175.63 1x47 h ASN 72 N 0.30 -0.26 -0.21 4.20 -1.24 0.52 0.50 115.58 119.40 1x47 h ASN 72 Ca 0.21 0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.30 1x47 h ASN 72 Cb 0.22 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1x47 h ASN 72 CO -0.23 -0.10 0.07 0.11 -1.29 0.00 0.00 177.43 175.98 1x47 h LYS 73 N -0.06 0.16 -0.54 6.67 1.57 0.21 1.42 116.57 126.00 1x47 h LYS 73 Ca 0.09 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 1x47 h LYS 73 Cb 0.19 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1x47 h LYS 73 CO -0.20 0.10 -0.11 0.00 -0.57 0.00 0.00 179.45 178.68 1x47 h ALA 74 N 1.13 0.39 -0.00 3.86 0.00 0.77 1.23 119.26 126.64 1x47 h ALA 74 Ca 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x47 h ALA 74 Cb 0.06 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x47 h ALA 74 CO -0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 179.25 178.72 1x47 h ALA 75 N 1.53 0.00 -0.94 0.00 0.00 -0.26 -1.92 119.26 117.67 1x47 h ALA 75 Ca 0.26 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1x47 h ALA 75 Cb 0.40 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1x47 h ALA 75 CO -0.53 -0.26 0.61 -0.09 0.00 0.00 0.00 179.25 178.98 1x47 h ARG 76 N -0.46 0.45 0.58 0.00 2.43 0.30 0.12 114.38 117.79 1x47 h ARG 76 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1x47 h ARG 76 Cb 0.47 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1x47 h ARG 76 CO 0.00 0.30 -0.28 0.00 -1.51 0.00 0.00 179.97 178.48 1x47 h ALA 77 N 1.61 -0.78 -0.89 2.80 0.00 0.16 -2.42 119.26 119.75 1x47 h ALA 77 Ca 0.50 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.48 1x47 h ALA 77 Cb 1.17 0.30 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1x47 h ALA 77 CO -0.22 -0.73 0.19 1.15 0.00 0.00 0.00 179.25 179.64 1x47 h THR 78 N -1.20 0.25 0.41 0.00 2.02 -0.50 0.14 112.91 114.03 1x47 h THR 78 Ca -0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1x47 h THR 78 Cb 0.61 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1x47 h THR 78 CO 0.13 0.03 -0.35 -0.07 0.37 0.00 0.00 175.52 175.63 1x47 h LEU 79 N 0.15 -0.95 -0.84 2.58 3.38 -0.99 -1.98 115.31 116.66 1x47 h LEU 79 Ca 0.56 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.76 1x47 h LEU 79 Cb 1.15 0.30 -0.16 0.00 0.09 0.00 0.00 40.66 42.04 1x47 h LEU 79 CO -0.71 -0.48 -0.24 -0.33 0.09 0.00 0.00 178.44 176.77 1x47 h GLU 80 N -0.74 -0.01 -0.54 1.13 5.08 -0.52 1.58 114.58 120.55 1x47 h GLU 80 Ca -0.05 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1x47 h GLU 80 Cb 0.63 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.77 1x47 h GLU 80 CO -0.01 -0.01 -0.34 0.82 -1.00 0.00 0.00 179.01 178.47 1x47 h ILE 81 N -0.01 0.18 0.22 3.13 2.04 -0.70 -2.91 117.51 119.47 1x47 h ILE 81 Ca 0.39 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.24 1x47 h ILE 81 Cb 0.61 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1x47 h ILE 81 CO -0.87 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.10 1x47 h LEU 82 N -0.19 -0.25 -8.82 1.44 3.38 0.42 -3.42 115.31 107.87 1x47 h LEU 82 Ca 0.22 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.60 1x47 h LEU 82 Cb 0.55 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1x47 h LEU 82 CO -0.65 -0.04 0.56 -0.63 0.09 0.00 0.00 178.44 177.78 1x47 s ILE 83 N -2.67 4.60 0.09 1.22 1.01 0.50 -4.91 121.20 121.03 1x47 s ILE 83 Ca -0.04 1.12 -0.13 0.00 0.00 0.00 0.00 60.65 61.59 1x47 s ILE 83 Cb 0.00 -4.32 -0.20 0.00 0.01 0.00 0.00 42.46 37.95 1x47 s ILE 83 CO 0.13 -0.54 1.24 1.55 0.00 0.00 0.00 174.94 177.32 1x47 h PRO 84 N 8.51 0.73 -2.47 2.79 0.13 -1.81 -3.31 132.00 136.57 1x47 h PRO 84 Ca -0.23 -0.71 -0.66 0.00 -0.87 0.00 0.00 66.00 63.53 1x47 h PRO 84 Cb 1.08 0.19 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 1x47 h PRO 84 CO 0.97 1.30 -0.24 -0.25 -0.23 0.00 0.00 178.00 179.55 1x47 n ASP 85 N -3.88 4.37 -0.08 1.44 8.00 -1.26 -4.81 116.55 120.33 1x47 n ASP 85 Ca -0.10 -3.41 -0.21 0.00 0.71 0.00 0.00 54.79 51.78 1x47 n ASP 85 Cb 0.83 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1x47 n ASP 85 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1x47 h PHE 86 N 4.63 0.08 -3.48 1.24 3.57 -1.94 -3.49 116.94 117.55 1x47 h PHE 86 Ca 0.19 -0.06 -0.32 0.00 3.53 0.00 0.00 57.97 61.32 1x47 h PHE 86 Cb 0.66 -0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.25 1x47 h PHE 86 CO 0.79 1.48 -0.69 0.08 -2.23 0.00 0.00 178.31 177.73 1x47 s VAL 87 N -2.38 1.01 -1.25 1.41 1.01 -1.26 -5.05 120.40 113.89 1x47 s VAL 87 Ca -0.27 -2.03 -0.19 0.00 0.00 0.00 0.00 61.98 59.49 1x47 s VAL 87 Cb 0.05 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1x47 s VAL 87 CO 0.63 -0.64 1.86 0.29 0.00 0.00 0.00 175.10 177.24 1x47 n LYS 88 N -0.23 2.57 -3.24 2.72 5.02 -1.26 -4.73 118.16 119.02 1x47 n LYS 88 Ca -0.09 -2.88 0.04 0.00 -2.02 0.00 0.00 58.31 53.36 1x47 n LYS 88 Cb 0.62 -3.51 -0.03 0.00 -0.02 0.00 0.00 35.03 32.09 1x47 n LYS 88 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x47 s GLN 89 N 4.86 0.24 0.01 1.97 0.74 -1.26 -5.17 119.66 121.05 1x47 s GLN 89 Ca 0.58 0.51 0.05 0.00 0.05 0.00 0.00 55.36 56.55 1x47 s GLN 89 Cb 0.04 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.43 1x47 s GLN 89 CO 0.08 -0.19 -0.15 -0.08 -0.55 0.00 0.00 175.29 174.40 1x47 s THR 90 N 2.71 1.22 0.00 -0.34 -1.32 -1.26 -5.01 115.64 111.64 1x47 s THR 90 Ca 0.00 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1x47 s THR 90 Cb -0.09 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1x47 s THR 90 CO -0.14 0.23 0.00 -1.54 -2.21 0.00 0.00 174.62 170.95 1x47 n SER 91 N 2.39 0.00 -4.45 8.08 3.41 -1.26 -5.16 113.62 116.64 1x47 n SER 91 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.09 1x47 n SER 91 Cb 0.55 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1x47 n SER 91 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1x47 n GLU 92 N 0.00 0.29 -3.77 4.33 0.28 -1.26 -4.95 120.64 115.56 1x47 n GLU 92 Ca 0.00 0.14 -0.37 0.00 -0.16 0.00 0.00 57.16 56.76 1x47 n GLU 92 Cb 0.00 -1.77 -0.13 0.00 1.43 0.00 0.00 31.44 30.97 1x47 n GLU 92 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1x47 s SER 93 N -1.43 5.25 -0.43 -1.84 0.01 -1.26 -4.99 113.70 109.01 1x47 s SER 93 Ca 0.65 -1.10 0.05 0.00 1.31 0.00 0.00 55.95 56.85 1x47 s SER 93 Cb -0.36 -1.86 0.19 0.00 0.21 0.00 0.00 66.02 64.20 1x47 s SER 93 CO 0.59 -0.31 0.73 -0.83 0.41 0.00 0.00 173.24 173.83 1x47 s GLY 94 N 1.40 -1.34 -0.03 3.44 0.00 -1.26 -5.03 107.32 104.50 1x47 s GLY 94 Ca -0.02 0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.61 1x47 s GLY 94 CO 0.02 3.77 1.08 -0.56 0.00 0.00 0.00 173.10 177.41 1x47 h PRO 95 N 6.02 0.22 -1.99 2.90 0.13 -2.05 -3.47 132.00 133.76 1x47 h PRO 95 Ca 0.04 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1x47 h PRO 95 Cb 1.16 0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1x47 h PRO 95 CO 0.04 0.91 0.19 -1.12 -0.23 0.00 0.00 178.00 177.80 1x47 s SER 96 N -6.33 -0.66 -0.18 1.44 0.01 -1.26 -5.16 113.70 101.56 1x47 s SER 96 Ca -0.15 0.75 -0.07 0.00 1.31 0.00 0.00 55.95 57.78 1x47 s SER 96 Cb 0.02 0.58 0.08 0.00 0.21 0.00 0.00 66.02 66.90 1x47 s SER 96 CO 0.75 -0.59 0.40 -0.55 0.41 0.00 0.00 173.24 173.66 1x47 s SER 97 N -1.12 -0.24 0.00 2.44 0.15 -1.26 -5.26 113.70 108.41 1x47 s SER 97 Ca -0.10 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1x47 s SER 97 Cb -0.00 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 1x47 s SER 97 CO 0.09 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.92