#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 n SER 2 N 0.00 -3.50 -4.13 1.61 2.88 -1.26 -4.92 113.62 104.30 1x49 n SER 2 Ca 0.00 -0.89 -0.37 0.00 -1.33 0.00 0.00 58.87 56.27 1x49 n SER 2 Cb 0.00 -3.38 -0.10 0.00 -0.75 0.00 0.00 64.21 59.97 1x49 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x49 s SER 3 N -3.50 5.36 0.00 -3.46 0.15 -1.26 -5.01 113.70 105.99 1x49 s SER 3 Ca 0.57 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1x49 s SER 3 Cb -0.30 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1x49 s SER 3 CO 0.87 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1x49 n GLY 4 N 4.22 1.57 3.70 9.45 0.00 -1.26 -5.09 105.19 117.78 1x49 n GLY 4 Ca 0.01 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 1x49 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x49 s SER 5 N 0.00 4.26 -0.13 1.61 1.04 -1.26 -5.06 113.70 114.17 1x49 s SER 5 Ca 0.00 -1.16 -0.38 0.00 0.48 0.00 0.00 55.95 54.89 1x49 s SER 5 Cb 0.00 -0.46 -0.16 0.00 0.10 0.00 0.00 66.02 65.50 1x49 s SER 5 CO 0.00 -0.51 1.61 -1.54 0.98 0.00 0.00 173.24 173.78 1x49 n SER 6 N -1.16 2.23 -4.18 7.02 3.41 -1.26 -4.89 113.62 114.79 1x49 n SER 6 Ca -0.02 1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 59.25 1x49 n SER 6 Cb 0.65 -1.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1x49 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x49 n GLY 7 N 3.61 4.43 2.83 5.00 0.00 -1.26 -4.93 105.19 114.88 1x49 n GLY 7 Ca 0.23 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 1x49 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x49 s MET 8 N -1.70 1.99 0.28 1.61 -2.45 -1.26 -5.09 119.30 112.68 1x49 s MET 8 Ca 0.31 -2.82 0.09 0.00 -1.25 0.00 0.00 55.69 52.02 1x49 s MET 8 Cb -0.05 -3.02 -0.04 0.00 1.25 0.00 0.00 34.83 32.96 1x49 s MET 8 CO -0.05 -1.23 0.01 0.00 1.05 0.00 0.00 175.02 174.80 1x49 s ALA 9 N -0.71 3.19 0.07 4.11 0.00 -1.26 -5.12 121.76 122.04 1x49 s ALA 9 Ca 0.22 -1.70 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 1x49 s ALA 9 Cb -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 1x49 s ALA 9 CO -0.10 0.22 0.51 -1.54 0.00 0.00 0.00 175.76 174.86 1x49 s SER 10 N -3.69 6.92 -0.33 0.00 1.04 -1.26 -4.97 113.70 111.40 1x49 s SER 10 Ca 0.32 1.12 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 1x49 s SER 10 Cb -0.05 -2.30 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1x49 s SER 10 CO 0.20 0.25 3.30 0.47 0.98 0.00 0.00 173.24 178.44 1x49 n ASP 11 N 1.50 6.02 -3.74 7.02 8.00 -1.26 -4.80 116.55 129.28 1x49 n ASP 11 Ca -0.10 -2.69 -0.12 0.00 0.71 0.00 0.00 54.79 52.58 1x49 n ASP 11 Cb 0.51 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.12 1x49 n ASP 11 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x49 s THR 12 N 0.24 -0.01 -1.29 -3.53 2.01 -1.26 -5.02 115.64 106.78 1x49 s THR 12 Ca 0.65 0.04 0.15 0.00 0.31 0.00 0.00 61.69 62.83 1x49 s THR 12 Cb 0.32 -0.48 0.21 0.00 0.01 0.00 0.00 72.50 72.55 1x49 s THR 12 CO -0.06 0.01 1.42 -0.81 -0.69 0.00 0.00 174.62 174.49 1x49 n PRO 13 N 3.32 0.14 0.00 4.92 -0.04 -1.26 -4.44 135.00 137.63 1x49 n PRO 13 Ca -0.16 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x49 n PRO 13 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1x49 n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x49 n GLY 14 N -0.03 -1.89 0.08 0.55 0.00 -1.26 -4.96 105.19 97.69 1x49 n GLY 14 Ca 0.06 0.87 -0.15 0.00 0.00 0.00 0.00 46.02 46.79 1x49 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1x49 h PHE 15 N 0.00 0.00 0.39 1.61 3.04 -1.96 -3.30 116.94 116.71 1x49 h PHE 15 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1x49 h PHE 15 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1x49 h PHE 15 CO 0.00 1.03 -0.19 1.88 -2.02 0.00 0.00 178.31 179.01 1x49 h TYR 16 N -1.00 -0.48 -0.99 0.41 0.05 -1.96 -2.98 116.97 110.02 1x49 h TYR 16 Ca -0.15 -0.01 0.35 0.00 0.05 0.00 0.00 58.73 58.97 1x49 h TYR 16 Cb 0.99 0.16 -0.17 0.00 1.01 0.00 0.00 36.73 38.73 1x49 h TYR 16 CO 0.14 -0.16 0.43 0.52 -1.05 0.00 0.00 178.16 178.04 1x49 h MET 17 N -0.95 0.11 -0.45 4.88 2.86 -1.82 1.36 114.93 120.91 1x49 h MET 17 Ca -0.05 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1x49 h MET 17 Cb 0.54 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1x49 h MET 17 CO 0.09 0.07 -0.02 -0.44 1.06 0.00 0.00 176.91 177.67 1x49 h ASP 18 N 0.11 0.72 -0.72 1.22 5.19 -1.63 -2.78 116.42 118.53 1x49 h ASP 18 Ca 0.74 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.91 1x49 h ASP 18 Cb 1.80 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 41.09 1x49 h ASP 18 CO -0.74 0.81 0.20 0.11 -3.12 0.00 0.00 179.24 176.50 1x49 h LYS 19 N 0.70 1.15 0.34 3.56 1.57 0.19 -2.46 116.57 121.62 1x49 h LYS 19 Ca 0.14 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1x49 h LYS 19 Cb 0.46 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1x49 h LYS 19 CO 0.02 0.99 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.64 1x49 h LEU 20 N 1.09 -0.44 -0.92 2.94 3.38 -1.06 -2.47 115.31 117.83 1x49 h LEU 20 Ca 0.23 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1x49 h LEU 20 Cb 0.34 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1x49 h LEU 20 CO -0.00 -0.30 0.55 -1.13 0.09 0.00 0.00 178.44 177.65 1x49 h ASN 21 N -0.48 0.80 0.19 -0.43 -1.24 -1.44 0.33 115.58 113.30 1x49 h ASN 21 Ca -0.04 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1x49 h ASN 21 Cb 0.39 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 1x49 h ASN 21 CO 0.06 0.43 -0.02 0.11 -1.29 0.00 0.00 177.43 176.71 1x49 h LYS 22 N 0.89 0.00 0.04 6.67 1.57 -1.11 -1.67 116.57 122.97 1x49 h LYS 22 Ca 0.45 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.87 1x49 h LYS 22 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1x49 h LYS 22 CO -0.26 0.02 -2.17 0.98 -0.57 0.00 0.00 179.45 177.45 1x49 n TYR 23 N -3.38 0.62 -0.07 -1.35 4.19 0.70 -3.42 117.16 114.45 1x49 n TYR 23 Ca -0.02 0.15 -0.00 0.00 3.31 0.00 0.00 57.90 61.34 1x49 n TYR 23 Cb 0.13 -1.09 0.27 0.00 0.49 0.00 0.00 39.34 39.15 1x49 n TYR 23 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1x49 h ARG 24 N 0.03 0.68 0.00 2.98 0.11 -0.08 -0.04 114.38 118.05 1x49 h ARG 24 Ca -0.47 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.49 1x49 h ARG 24 Cb 2.02 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.99 1x49 h ARG 24 CO 0.02 0.60 -0.37 -0.56 0.10 0.00 0.00 179.97 179.76 1x49 h GLN 25 N 0.66 0.00 0.07 0.08 3.07 -1.50 0.29 115.11 117.79 1x49 h GLN 25 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.77 1x49 h GLN 25 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.78 1x49 h GLN 25 CO -0.01 0.00 -0.58 0.52 0.09 0.00 0.00 178.83 178.86 1x49 h MET 26 N 0.00 0.16 0.14 0.06 2.86 -1.39 -3.38 114.93 113.38 1x49 h MET 26 Ca 0.00 -0.27 -0.34 0.00 -2.06 0.00 0.00 59.70 57.04 1x49 h MET 26 Cb 0.95 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1x49 h MET 26 CO 0.00 1.13 -1.74 0.45 1.06 0.00 0.00 176.91 177.81 1x49 h HIS 27 N -0.66 0.54 0.00 -0.22 3.86 -1.15 -3.49 115.15 114.03 1x49 h HIS 27 Ca -0.11 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1x49 h HIS 27 Cb 1.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1x49 h HIS 27 CO 0.22 1.57 0.00 0.41 0.86 0.00 0.00 177.93 180.99 1x49 n GLY 28 N 1.81 0.81 3.86 2.45 0.00 -0.05 -5.09 105.19 108.98 1x49 n GLY 28 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1x49 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x49 s VAL 29 N -1.50 2.25 -0.27 1.61 -7.23 -0.38 -5.03 120.40 109.85 1x49 s VAL 29 Ca 0.00 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1x49 s VAL 29 Cb 0.00 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.27 1x49 s VAL 29 CO 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.75 1x49 s ALA 30 N -2.60 2.75 -0.20 1.32 0.00 -1.26 -4.72 121.76 117.05 1x49 s ALA 30 Ca 0.43 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1x49 s ALA 30 Cb -0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1x49 s ALA 30 CO 0.25 -1.01 0.15 0.42 0.00 0.00 0.00 175.76 175.58 1x49 s ILE 31 N 1.30 5.39 -0.07 0.00 1.01 -1.25 -3.12 121.20 124.46 1x49 s ILE 31 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1x49 s ILE 31 Cb -0.18 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1x49 s ILE 31 CO -0.03 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.35 1x49 s THR 32 N 0.41 1.02 -0.51 2.92 2.01 -0.09 -4.92 115.64 116.49 1x49 s THR 32 Ca 0.09 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 1x49 s THR 32 Cb -0.11 -0.97 0.08 0.00 0.01 0.00 0.00 72.50 71.51 1x49 s THR 32 CO -0.01 0.34 0.52 -0.31 -0.69 0.00 0.00 174.62 174.46 1x49 s TYR 33 N 0.89 3.16 0.01 4.92 1.51 -1.26 0.17 117.35 126.74 1x49 s TYR 33 Ca -0.11 -0.87 -0.26 0.00 -1.01 0.00 0.00 57.07 54.82 1x49 s TYR 33 Cb -0.15 -3.48 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 1x49 s TYR 33 CO 0.01 -0.96 0.81 0.21 -1.11 0.00 0.00 175.55 174.51 1x49 s LYS 34 N 2.05 4.51 -0.30 -0.62 2.20 0.10 -4.94 119.74 122.74 1x49 s LYS 34 Ca 0.08 1.12 -0.21 0.00 -0.36 0.00 0.00 55.97 56.60 1x49 s LYS 34 Cb -0.24 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1x49 s LYS 34 CO 0.08 0.15 0.68 -2.00 -0.36 0.00 0.00 175.35 173.89 1x49 s GLU 35 N 0.40 3.94 0.61 4.03 2.12 -1.26 -2.54 118.70 125.99 1x49 s GLU 35 Ca 0.42 0.41 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1x49 s GLU 35 Cb -0.20 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.54 1x49 s GLU 35 CO 0.23 -0.58 0.85 -0.51 -0.54 0.00 0.00 175.26 174.70 1x49 s LEU 36 N 2.70 3.17 1.00 2.70 1.43 -0.98 -5.04 118.68 123.65 1x49 s LEU 36 Ca 0.27 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1x49 s LEU 36 Cb -0.15 -2.39 0.19 0.00 0.03 0.00 0.00 46.19 43.87 1x49 s LEU 36 CO 0.12 -1.41 1.17 -0.55 0.23 0.00 0.00 176.35 175.91 1x49 s SER 37 N -4.56 2.71 -0.11 2.29 0.15 -1.26 -4.49 113.70 108.44 1x49 s SER 37 Ca 0.61 0.72 -0.12 0.00 0.70 0.00 0.00 55.95 57.86 1x49 s SER 37 Cb -0.08 -1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 63.10 1x49 s SER 37 CO 0.40 -3.02 0.26 -0.89 1.20 0.00 0.00 173.24 171.19 1x49 s THR 38 N -3.34 5.30 -0.09 6.45 2.01 -1.26 -3.41 115.64 121.30 1x49 s THR 38 Ca 0.68 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 1x49 s THR 38 Cb -0.11 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1x49 s THR 38 CO 0.54 0.52 -0.04 -0.44 -0.69 0.00 0.00 174.62 174.51 1x49 s SER 39 N -0.45 1.82 0.00 3.53 0.01 -0.91 -4.97 113.70 112.72 1x49 s SER 39 Ca 0.17 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1x49 s SER 39 Cb -0.14 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1x49 s SER 39 CO 0.06 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1x49 n GLY 40 N 4.95 -0.80 3.68 3.44 0.00 -1.26 -4.00 105.19 111.20 1x49 n GLY 40 Ca -0.11 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1x49 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x49 s PRO 41 N -2.00 0.52 -0.00 1.61 0.04 -1.16 -4.94 135.00 129.06 1x49 s PRO 41 Ca 0.00 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 1x49 s PRO 41 Cb 0.00 -1.74 -0.18 0.00 0.04 0.00 0.00 34.50 32.61 1x49 s PRO 41 CO 0.00 -2.68 1.30 -1.00 0.04 0.00 0.00 177.00 174.65 1x49 h PRO 42 N -1.86 0.12 0.12 0.56 0.13 -2.02 -3.31 132.00 125.75 1x49 h PRO 42 Ca -0.54 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1x49 h PRO 42 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1x49 h PRO 42 CO 0.57 0.57 -0.06 1.12 -0.23 0.00 0.00 178.00 179.97 1x49 h HIS 43 N -0.32 -0.15 -3.59 1.56 2.07 -2.07 -3.39 115.15 109.25 1x49 h HIS 43 Ca 0.01 -0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.85 1x49 h HIS 43 Cb 0.55 0.05 -0.26 0.00 2.57 0.00 0.00 27.41 30.32 1x49 h HIS 43 CO 0.09 -0.09 -0.63 0.34 -3.07 0.00 0.00 177.93 174.57 1x49 s ASP 44 N -5.06 5.04 -0.29 3.10 -1.08 -1.24 -5.08 116.67 112.07 1x49 s ASP 44 Ca -0.14 -0.69 -0.11 0.00 -0.52 0.00 0.00 52.55 51.09 1x49 s ASP 44 Cb 0.05 -1.86 -0.04 0.00 -1.46 0.00 0.00 42.92 39.62 1x49 s ASP 44 CO 0.65 -0.18 0.17 -0.13 0.52 0.00 0.00 175.17 176.21 1x49 s ARG 45 N 1.49 3.76 -0.28 4.34 1.81 -1.25 -3.00 118.95 125.82 1x49 s ARG 45 Ca 0.03 -0.44 -0.15 0.00 -1.72 0.00 0.00 55.73 53.44 1x49 s ARG 45 Cb -0.17 -3.62 -0.03 0.00 -0.45 0.00 0.00 34.95 30.68 1x49 s ARG 45 CO 0.02 -0.25 0.39 1.03 -0.68 0.00 0.00 175.30 175.81 1x49 s ARG 46 N 1.71 3.97 -0.17 3.54 1.81 -1.26 -4.82 118.95 123.74 1x49 s ARG 46 Ca 0.06 0.03 -0.21 0.00 -1.72 0.00 0.00 55.73 53.90 1x49 s ARG 46 Cb -0.16 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.64 1x49 s ARG 46 CO 0.09 -0.32 0.62 -0.06 -0.68 0.00 0.00 175.30 174.95 1x49 s PHE 47 N 2.11 3.42 0.02 -0.53 0.08 -0.91 -2.15 117.98 120.02 1x49 s PHE 47 Ca 0.16 0.97 -0.08 0.00 0.12 0.00 0.00 56.93 58.10 1x49 s PHE 47 Cb -0.16 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.47 1x49 s PHE 47 CO 0.10 -0.09 0.31 0.99 -0.10 0.00 0.00 175.22 176.43 1x49 s THR 48 N 1.57 5.24 0.08 0.64 2.01 -1.22 -1.70 115.64 122.26 1x49 s THR 48 Ca 0.30 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1x49 s THR 48 Cb -0.16 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1x49 s THR 48 CO 0.11 0.38 0.05 -0.36 -0.69 0.00 0.00 174.62 174.11 1x49 s PHE 49 N -1.29 0.47 -0.04 4.92 0.40 -0.29 -2.33 117.98 119.82 1x49 s PHE 49 Ca 0.28 -0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 55.46 1x49 s PHE 49 Cb -0.14 -0.30 0.04 0.00 0.51 0.00 0.00 43.02 43.13 1x49 s PHE 49 CO 0.16 -0.46 0.42 1.14 0.70 0.00 0.00 175.22 177.18 1x49 s GLN 50 N -3.93 0.76 0.16 0.44 -2.07 -1.05 0.45 119.66 114.42 1x49 s GLN 50 Ca 0.09 -0.01 0.06 0.00 -1.82 0.00 0.00 55.36 53.69 1x49 s GLN 50 Cb 0.07 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1x49 s GLN 50 CO -0.08 -0.21 0.02 0.08 -1.32 0.00 0.00 175.29 173.78 1x49 s VAL 51 N -1.18 3.92 -0.20 3.63 1.01 -1.26 -0.72 120.40 125.60 1x49 s VAL 51 Ca -0.12 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1x49 s VAL 51 Cb -0.04 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.44 1x49 s VAL 51 CO 0.06 -0.06 -0.00 -0.76 0.00 0.00 0.00 175.10 174.33 1x49 s LEU 52 N -2.85 1.63 -0.12 3.92 1.02 0.13 -2.39 118.68 120.02 1x49 s LEU 52 Ca 0.28 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1x49 s LEU 52 Cb -0.10 -0.80 -0.02 0.00 0.02 0.00 0.00 46.19 45.29 1x49 s LEU 52 CO 0.19 -0.27 -0.12 -0.63 0.02 0.00 0.00 176.35 175.54 1x49 s ILE 53 N 1.70 3.13 -1.44 -0.59 1.01 -1.12 -0.91 121.20 122.98 1x49 s ILE 53 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 1x49 s ILE 53 Cb -0.17 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.04 1x49 s ILE 53 CO -0.07 0.53 0.90 -0.67 0.00 0.00 0.00 174.94 175.63 1x49 n ASP 54 N 3.34 -3.63 -1.75 3.58 -0.08 -1.18 -0.30 116.55 116.52 1x49 n ASP 54 Ca -0.18 -0.77 -0.18 0.00 -1.51 0.00 0.00 54.79 52.14 1x49 n ASP 54 Cb 0.53 -4.04 -0.04 0.00 2.34 0.00 0.00 41.12 39.90 1x49 n ASP 54 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x49 n GLU 55 N -4.56 -1.37 -4.00 -0.67 -0.58 -1.26 -4.98 120.64 103.22 1x49 n GLU 55 Ca -0.08 1.02 -0.33 0.00 -0.42 0.00 0.00 57.16 57.35 1x49 n GLU 55 Cb 0.58 -5.41 -0.06 0.00 -0.57 0.00 0.00 31.44 25.98 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x49 s LYS 56 N -4.23 3.24 -0.41 3.49 2.20 0.58 -5.08 119.74 119.53 1x49 s LYS 56 Ca 0.00 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.05 1x49 s LYS 56 Cb 0.00 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1x49 s LYS 56 CO 0.00 0.65 0.27 -1.21 -0.36 0.00 0.00 175.35 174.70 1x49 s GLU 57 N -1.94 2.86 0.42 4.03 2.02 -1.26 -2.80 118.70 122.03 1x49 s GLU 57 Ca 0.26 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.05 1x49 s GLU 57 Cb -0.12 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 1x49 s GLU 57 CO 0.18 -0.80 0.71 -0.06 0.02 0.00 0.00 175.26 175.31 1x49 s PHE 58 N 1.59 3.52 -0.34 1.61 0.40 -1.01 -5.01 117.98 118.75 1x49 s PHE 58 Ca 0.03 0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 56.82 1x49 s PHE 58 Cb -0.20 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 1x49 s PHE 58 CO 0.07 -0.11 1.69 -1.25 0.70 0.00 0.00 175.22 176.32 1x49 s PRO 59 N -4.34 3.44 0.97 0.24 0.04 -1.26 -4.58 135.00 129.51 1x49 s PRO 59 Ca 0.46 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1x49 s PRO 59 Cb -0.10 -4.14 0.16 0.00 0.04 0.00 0.00 34.50 30.46 1x49 s PRO 59 CO 0.39 -1.73 0.31 -0.85 0.04 0.00 0.00 177.00 175.15 1x49 n GLU 60 N 8.28 -2.14 -3.69 4.56 0.00 -1.26 -4.79 120.64 121.60 1x49 n GLU 60 Ca 0.21 -0.63 -0.11 0.00 0.00 0.00 0.00 57.16 56.62 1x49 n GLU 60 Cb 0.47 -1.43 -0.06 0.00 0.00 0.00 0.00 31.44 30.41 1x49 n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x49 s ALA 61 N -2.06 -0.86 -0.06 -1.84 0.00 0.17 -4.80 121.76 112.31 1x49 s ALA 61 Ca 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1x49 s ALA 61 Cb -0.05 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1x49 s ALA 61 CO 0.30 -0.51 0.19 0.15 0.00 0.00 0.00 175.76 175.89 1x49 s LYS 62 N -3.02 3.49 -0.14 0.00 1.02 -1.26 -1.14 119.74 118.69 1x49 s LYS 62 Ca -0.02 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.74 1x49 s LYS 62 Cb 0.00 -3.15 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1x49 s LYS 62 CO -0.06 0.72 0.35 0.20 -0.92 0.00 0.00 175.35 175.64 1x49 s GLY 63 N -1.41 -0.26 0.22 -3.33 0.00 -0.69 -4.72 107.32 97.14 1x49 s GLY 63 Ca 0.21 1.19 -0.15 0.00 0.00 0.00 0.00 44.72 45.97 1x49 s GLY 63 CO 0.11 1.25 1.59 -0.09 0.00 0.00 0.00 173.10 175.97 1x49 h ARG 64 N 6.55 -0.05 -6.15 2.90 2.43 -1.88 -2.41 114.38 115.78 1x49 h ARG 64 Ca -0.34 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.31 1x49 h ARG 64 Cb 1.18 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1x49 h ARG 64 CO 0.31 -0.03 -0.51 0.45 -1.51 0.00 0.00 179.97 178.68 1x49 s SER 65 N -5.23 4.95 0.18 -3.80 0.15 -1.26 -4.42 113.70 104.28 1x49 s SER 65 Ca -0.14 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 55.75 1x49 s SER 65 Cb 0.20 -0.88 0.17 0.00 -1.71 0.00 0.00 66.02 63.81 1x49 s SER 65 CO 0.73 -0.27 1.72 0.11 1.20 0.00 0.00 173.24 176.72 1x49 h LYS 66 N 1.46 0.21 0.72 5.44 1.79 -1.91 -1.43 116.57 122.86 1x49 h LYS 66 Ca -0.44 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 57.98 1x49 h LYS 66 Cb 1.25 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1x49 h LYS 66 CO 0.61 0.14 -0.35 0.37 -1.08 0.00 0.00 179.45 179.15 1x49 h GLN 67 N 0.22 -0.93 -1.02 3.15 4.15 -1.96 -2.88 115.11 115.84 1x49 h GLN 67 Ca 0.24 0.06 0.39 0.00 0.77 0.00 0.00 58.65 60.12 1x49 h GLN 67 Cb 0.32 0.21 -0.17 0.00 0.21 0.00 0.00 27.48 28.05 1x49 h GLN 67 CO -0.32 -0.62 0.57 1.49 -1.93 0.00 0.00 178.83 178.02 1x49 h GLU 68 N -1.17 0.09 -0.29 1.69 4.81 -1.88 0.71 114.58 118.54 1x49 h GLU 68 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1x49 h GLU 68 Cb 0.74 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1x49 h GLU 68 CO 0.16 0.06 0.15 0.00 -0.73 0.00 0.00 179.01 178.66 1x49 h ALA 69 N 1.93 0.37 -0.52 2.92 0.00 -1.14 -2.23 119.26 120.59 1x49 h ALA 69 Ca 0.82 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.70 1x49 h ALA 69 Cb 2.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 1x49 h ALA 69 CO -0.70 -0.09 0.26 0.00 0.00 0.00 0.00 179.25 178.71 1x49 h ARG 70 N 0.34 0.49 -0.92 0.00 3.08 0.62 -1.93 114.38 116.07 1x49 h ARG 70 Ca 0.10 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1x49 h ARG 70 Cb 0.08 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1x49 h ARG 70 CO -0.02 0.32 0.60 -0.97 -1.07 0.00 0.00 179.97 178.84 1x49 h ASN 71 N 0.50 1.02 0.42 7.04 -1.24 -1.20 -2.74 115.58 119.39 1x49 h ASN 71 Ca 0.23 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1x49 h ASN 71 Cb 0.15 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1x49 h ASN 71 CO -0.17 0.71 -0.24 0.00 -1.29 0.00 0.00 177.43 176.45 1x49 h ALA 72 N 1.37 -1.12 -1.44 1.57 0.00 -0.75 -2.18 119.26 116.71 1x49 h ALA 72 Ca 0.36 -0.13 0.45 0.00 0.00 0.00 0.00 54.91 55.58 1x49 h ALA 72 Cb -0.04 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1x49 h ALA 72 CO -0.11 -1.09 0.98 0.00 0.00 0.00 0.00 179.25 179.04 1x49 h ALA 73 N -1.61 3.03 -0.25 0.00 0.00 -1.38 1.38 119.26 120.43 1x49 h ALA 73 Ca -0.06 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1x49 h ALA 73 Cb 0.48 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x49 h ALA 73 CO 0.07 -1.59 -0.41 0.00 0.00 0.00 0.00 179.25 177.32 1x49 h ALA 74 N 1.43 0.81 -0.56 0.00 0.00 -1.15 -2.82 119.26 116.98 1x49 h ALA 74 Ca 0.80 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 55.36 1x49 h ALA 74 Cb 2.76 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 20.37 1x49 h ALA 74 CO -0.26 0.65 0.16 -0.22 0.00 0.00 0.00 179.25 179.58 1x49 h LYS 75 N 0.49 0.31 -0.25 0.00 3.64 0.25 0.31 116.57 121.32 1x49 h LYS 75 Ca 0.04 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1x49 h LYS 75 Cb 0.93 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1x49 h LYS 75 CO 0.08 0.20 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.00 1x49 h LEU 76 N 0.32 0.61 0.48 5.20 3.38 -1.50 -2.60 115.31 121.20 1x49 h LEU 76 Ca 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1x49 h LEU 76 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x49 h LEU 76 CO -0.33 0.94 -0.23 0.00 0.09 0.00 0.00 178.44 178.91 1x49 h ALA 77 N 1.09 -0.83 -0.95 1.53 0.00 -0.97 -2.82 119.26 116.31 1x49 h ALA 77 Ca 0.04 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.05 1x49 h ALA 77 Cb 0.89 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1x49 h ALA 77 CO 0.08 -0.78 0.49 0.28 0.00 0.00 0.00 179.25 179.31 1x49 h VAL 78 N -0.89 0.49 -0.59 0.00 2.07 -0.53 0.17 116.25 116.97 1x49 h VAL 78 Ca -0.07 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1x49 h VAL 78 Cb 0.49 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1x49 h VAL 78 CO 0.11 0.09 0.30 -0.78 0.02 0.00 0.00 177.57 177.31 1x49 h ASP 79 N 0.47 0.43 -0.43 0.57 1.82 -1.47 0.20 116.42 118.02 1x49 h ASP 79 Ca 0.61 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 57.21 1x49 h ASP 79 Cb 1.17 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1x49 h ASP 79 CO -0.51 0.28 0.00 0.40 -1.61 0.00 0.00 179.24 177.80 1x49 h ILE 80 N 0.57 1.26 -0.85 2.25 2.04 -0.45 -2.17 117.51 120.16 1x49 h ILE 80 Ca 0.27 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1x49 h ILE 80 Cb 0.19 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1x49 h ILE 80 CO -0.19 0.35 0.49 -0.07 0.00 0.00 0.00 178.15 178.74 1x49 h LEU 81 N 0.59 1.04 -0.87 1.44 3.38 -0.74 -1.91 115.31 118.24 1x49 h LEU 81 Ca 0.12 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1x49 h LEU 81 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1x49 h LEU 81 CO 0.02 0.81 -0.02 0.44 0.09 0.00 0.00 178.44 179.79 1x49 h ASP 82 N 1.17 0.79 -0.06 -0.43 3.32 -0.84 -2.69 116.42 117.68 1x49 h ASP 82 Ca 0.30 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1x49 h ASP 82 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1x49 h ASP 82 CO -0.05 0.87 -0.19 -1.13 -1.72 0.00 0.00 179.24 177.01 1x49 h ASN 83 N 0.76 0.43 -0.17 6.45 -1.24 -0.86 -2.44 115.58 118.52 1x49 h ASN 83 Ca 0.14 -0.13 0.05 0.00 0.71 0.00 0.00 56.30 57.08 1x49 h ASN 83 Cb 0.48 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1x49 h ASN 83 CO 0.02 0.64 0.19 -0.33 -1.29 0.00 0.00 177.43 176.67 1x49 h GLU 84 N 0.40 0.00 -3.34 6.67 5.08 -1.01 -3.20 114.58 119.19 1x49 h GLU 84 Ca 0.07 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.63 1x49 h GLU 84 Cb 0.57 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.53 1x49 h GLU 84 CO 0.04 0.00 0.52 -1.71 -1.00 0.00 0.00 179.01 176.86 1x49 n ASN 85 N -3.79 5.72 -3.72 1.42 4.05 -0.92 -5.02 115.26 112.99 1x49 n ASN 85 Ca 0.01 -3.16 -0.51 0.00 0.45 0.00 0.00 54.58 51.37 1x49 n ASN 85 Cb 0.31 -1.32 -0.07 0.00 1.23 0.00 0.00 39.78 39.93 1x49 n ASN 85 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1x49 n LYS 86 N 2.22 0.00 -3.70 1.20 4.81 -1.21 -4.94 118.16 116.55 1x49 n LYS 86 Ca 0.25 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.55 1x49 n LYS 86 Cb 0.37 -1.21 -0.09 0.00 0.02 0.00 0.00 35.03 34.12 1x49 n LYS 86 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x49 s VAL 87 N 1.23 -0.00 -0.72 3.15 0.11 -1.26 -5.11 120.40 117.80 1x49 s VAL 87 Ca 0.79 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 59.58 1x49 s VAL 87 Cb -1.12 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.04 1x49 s VAL 87 CO 0.56 0.00 1.47 -0.62 -3.33 0.00 0.00 175.10 173.18 1x49 s ASP 88 N 0.36 5.90 -0.15 3.54 2.15 -1.26 -4.94 116.67 122.28 1x49 s ASP 88 Ca -0.01 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.62 1x49 s ASP 88 Cb -0.04 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1x49 s ASP 88 CO -0.01 -1.99 0.34 0.00 -0.17 0.00 0.00 175.17 173.34 1x49 s HIS 90 N 1.74 1.56 -0.14 0.00 2.46 -1.26 -4.94 115.29 114.71 1x49 s HIS 90 Ca -0.06 0.61 -0.15 0.00 0.47 0.00 0.00 55.06 55.93 1x49 s HIS 90 Cb -0.10 -4.04 0.04 0.00 -0.13 0.00 0.00 32.58 28.34 1x49 s HIS 90 CO -0.11 -3.36 0.40 -0.08 -2.47 0.00 0.00 174.74 169.12 1x49 s THR 91 N 7.52 0.01 0.15 0.89 -1.32 -1.26 -5.06 115.64 116.56 1x49 s THR 91 Ca 0.88 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 61.02 1x49 s THR 91 Cb -0.26 -0.58 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1x49 s THR 91 CO 0.34 -0.02 1.56 0.28 -2.21 0.00 0.00 174.62 174.57 1x49 h SER 92 N 5.30 -1.63 -1.31 8.08 0.02 -2.04 -3.47 113.55 118.48 1x49 h SER 92 Ca -0.27 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1x49 h SER 92 Cb 1.18 0.70 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1x49 h SER 92 CO 0.27 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 1x49 n GLY 93 N -1.39 0.28 0.13 -3.77 0.00 -1.26 -5.03 105.19 94.15 1x49 n GLY 93 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1x49 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 h PRO 94 N 0.00 0.33 -7.28 1.61 0.13 -2.01 -3.45 132.00 121.33 1x49 h PRO 94 Ca 0.00 -0.17 -0.47 0.00 -0.87 0.00 0.00 66.00 64.49 1x49 h PRO 94 Cb 0.35 0.01 0.17 0.00 0.13 0.00 0.00 31.00 31.66 1x49 h PRO 94 CO 0.00 0.72 0.17 0.45 -0.23 0.00 0.00 178.00 179.11 1x49 s SER 95 N -6.09 2.52 0.29 1.44 0.15 -1.26 -5.07 113.70 105.67 1x49 s SER 95 Ca -0.14 1.52 -0.01 0.00 0.70 0.00 0.00 55.95 58.02 1x49 s SER 95 Cb 0.05 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1x49 s SER 95 CO 0.75 -3.24 0.33 -0.94 1.20 0.00 0.00 173.24 171.33 1x49 s SER 96 N -3.09 0.80 0.00 5.45 1.04 -1.26 -5.17 113.70 111.48 1x49 s SER 96 Ca 0.66 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1x49 s SER 96 Cb -0.21 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x49 s SER 96 CO 0.59 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.34