#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 s SER 2 N 0.00 4.89 0.16 1.61 0.15 -1.26 -5.11 113.70 114.13 1x49 s SER 2 Ca 0.00 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.59 1x49 s SER 2 Cb 0.00 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1x49 s SER 2 CO 0.00 0.17 0.10 -0.94 1.20 0.00 0.00 173.24 173.77 1x49 s SER 3 N 0.39 5.36 0.00 5.45 1.04 -1.26 -5.08 113.70 119.60 1x49 s SER 3 Ca -0.03 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1x49 s SER 3 Cb -0.14 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1x49 s SER 3 CO 0.03 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1x49 n GLY 4 N -0.21 -0.04 3.80 7.32 0.00 -1.26 -5.19 105.19 109.60 1x49 n GLY 4 Ca -0.09 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.52 1x49 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 s SER 5 N 0.00 -0.13 -0.03 1.61 0.01 -1.26 -5.09 113.70 108.82 1x49 s SER 5 Ca 0.00 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.44 1x49 s SER 5 Cb 0.00 0.74 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 1x49 s SER 5 CO 0.00 -1.40 -0.03 -1.20 0.41 0.00 0.00 173.24 171.02 1x49 n SER 6 N -0.71 1.88 0.00 2.44 7.64 -1.26 -5.16 113.62 118.46 1x49 n SER 6 Ca -0.05 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1x49 n SER 6 Cb 0.60 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1x49 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x49 n GLY 7 N 3.09 2.99 3.82 0.23 0.00 -1.26 -5.16 105.19 108.90 1x49 n GLY 7 Ca -0.05 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1x49 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x49 s MET 8 N -2.29 2.10 -0.30 1.61 0.00 -1.26 -5.07 119.30 114.08 1x49 s MET 8 Ca 0.00 -1.30 0.12 0.00 0.00 0.00 0.00 55.69 54.51 1x49 s MET 8 Cb 0.00 0.62 0.47 0.00 0.00 0.00 0.00 34.83 35.92 1x49 s MET 8 CO 0.00 -0.98 1.14 0.00 0.00 0.00 0.00 175.02 175.18 1x49 n ALA 9 N -0.52 4.19 -2.56 3.16 0.00 -1.26 -5.01 120.51 118.51 1x49 n ALA 9 Ca -0.07 -3.50 -0.23 0.00 0.00 0.00 0.00 53.44 49.64 1x49 n ALA 9 Cb 0.60 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 1x49 n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x49 s SER 10 N -3.62 1.82 -1.63 0.00 0.15 -1.26 -4.74 113.70 104.41 1x49 s SER 10 Ca 0.42 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 1x49 s SER 10 Cb 0.39 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1x49 s SER 10 CO -0.01 0.15 0.31 -0.67 1.20 0.00 0.00 173.24 174.22 1x49 n ASP 11 N 2.46 -5.94 -4.43 5.45 2.03 -1.26 -4.86 116.55 110.00 1x49 n ASP 11 Ca -0.15 -0.16 -0.51 0.00 0.52 0.00 0.00 54.79 54.49 1x49 n ASP 11 Cb 0.55 -4.85 -0.04 0.00 -0.72 0.00 0.00 41.12 36.05 1x49 n ASP 11 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1x49 n THR 12 N -4.27 1.46 0.24 5.18 -1.04 -1.26 -4.83 114.28 109.76 1x49 n THR 12 Ca -0.17 -0.37 0.12 0.00 -2.04 0.00 0.00 64.05 61.59 1x49 n THR 12 Cb 0.65 -0.01 0.56 0.00 -1.82 0.00 0.00 70.33 69.71 1x49 n THR 12 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1x49 h PRO 13 N 1.54 0.00 0.00 -2.82 0.13 -2.01 -3.41 132.00 125.43 1x49 h PRO 13 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1x49 h PRO 13 Cb 1.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1x49 h PRO 13 CO 0.59 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1x49 n GLY 14 N -0.06 -1.97 0.14 1.56 0.00 -1.26 -4.75 105.19 98.84 1x49 n GLY 14 Ca -0.00 0.96 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.21 -0.57 1.61 3.57 -1.93 -3.17 116.94 116.24 1x49 h PHE 15 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1x49 h PHE 15 Cb 0.00 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1x49 h PHE 15 CO 0.00 0.15 0.26 1.88 -2.23 0.00 0.00 178.31 178.37 1x49 h TYR 16 N -0.96 0.47 -0.66 0.41 0.05 -1.96 -2.03 116.97 112.28 1x49 h TYR 16 Ca -0.02 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1x49 h TYR 16 Cb 0.45 -0.13 -0.11 0.00 1.01 0.00 0.00 36.73 37.96 1x49 h TYR 16 CO 0.07 0.19 0.06 0.52 -1.05 0.00 0.00 178.16 177.94 1x49 h MET 17 N 0.49 0.16 -0.00 4.88 2.86 -1.84 0.43 114.93 121.91 1x49 h MET 17 Ca 0.27 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1x49 h MET 17 Cb 0.24 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1x49 h MET 17 CO -0.22 0.11 -0.14 -0.44 1.06 0.00 0.00 176.91 177.27 1x49 h ASP 18 N 0.16 0.00 0.26 1.22 3.32 -1.35 -2.25 116.42 117.79 1x49 h ASP 18 Ca 0.36 -0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.18 1x49 h ASP 18 Cb 0.59 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1x49 h ASP 18 CO -0.53 0.14 -0.94 0.11 -1.72 0.00 0.00 179.24 176.31 1x49 h LYS 19 N 0.00 0.47 0.81 3.56 1.57 0.07 -3.02 116.57 120.04 1x49 h LYS 19 Ca -0.00 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1x49 h LYS 19 Cb 0.25 0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x49 h LYS 19 CO 0.02 1.13 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.57 1x49 h LEU 20 N 0.27 -0.92 -2.02 2.94 3.38 -0.26 -1.97 115.31 116.74 1x49 h LEU 20 Ca -0.08 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.06 1x49 h LEU 20 Cb 1.57 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1x49 h LEU 20 CO 0.17 -0.60 0.40 0.78 0.09 0.00 0.00 178.44 179.28 1x49 h ASN 21 N -1.21 0.00 1.14 -0.43 2.35 -1.58 0.48 115.58 116.33 1x49 h ASN 21 Ca -0.11 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1x49 h ASN 21 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1x49 h ASN 21 CO 0.18 0.00 -0.33 0.11 -1.65 0.00 0.00 177.43 175.74 1x49 h LYS 22 N 0.00 0.00 0.00 0.81 1.57 -1.34 -2.61 116.57 114.99 1x49 h LYS 22 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1x49 h LYS 22 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1x49 h LYS 22 CO -0.00 0.33 -1.51 0.98 -0.57 0.00 0.00 179.45 178.68 1x49 n TYR 23 N -3.35 0.51 0.09 -1.35 4.19 0.14 -3.31 117.16 114.09 1x49 n TYR 23 Ca 0.01 0.15 -0.14 0.00 3.31 0.00 0.00 57.90 61.23 1x49 n TYR 23 Cb 0.55 -0.76 -0.12 0.00 0.49 0.00 0.00 39.34 39.49 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 0.00 0.23 0.07 2.98 0.11 -0.70 -2.44 114.38 114.62 1x49 h ARG 24 Ca -0.02 -0.37 -0.26 0.00 0.10 0.00 0.00 59.98 59.43 1x49 h ARG 24 Cb 1.07 0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 1x49 h ARG 24 CO 0.00 1.16 -1.29 -0.56 0.10 0.00 0.00 179.97 179.39 1x49 h GLN 25 N 0.07 0.14 0.32 0.08 3.07 -1.63 -0.76 115.11 116.40 1x49 h GLN 25 Ca -0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 58.65 58.38 1x49 h GLN 25 Cb 1.89 0.09 0.00 0.00 0.08 0.00 0.00 27.48 29.54 1x49 h GLN 25 CO 0.18 1.03 -0.16 0.52 0.09 0.00 0.00 178.83 180.50 1x49 h MET 26 N 0.04 -0.42 -0.03 0.06 2.86 -1.64 -3.36 114.93 112.43 1x49 h MET 26 Ca -0.14 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1x49 h MET 26 Cb 1.92 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.67 1x49 h MET 26 CO 0.15 -0.18 -0.03 0.45 1.06 0.00 0.00 176.91 178.36 1x49 h HIS 27 N -1.06 0.09 0.00 -0.22 3.86 -1.60 -3.48 115.15 112.74 1x49 h HIS 27 Ca -0.04 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1x49 h HIS 27 Cb 0.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1x49 h HIS 27 CO 0.02 0.54 0.00 0.41 0.86 0.00 0.00 177.93 179.77 1x49 n GLY 28 N 0.22 0.90 3.64 2.45 0.00 -0.56 -5.08 105.19 106.76 1x49 n GLY 28 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.17 3.49 -0.38 1.61 -7.23 -0.40 -5.03 120.40 111.29 1x49 s VAL 29 Ca 0.00 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1x49 s VAL 29 Cb 0.00 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1x49 s VAL 29 CO 0.00 -0.27 0.26 0.00 -0.31 0.00 0.00 175.10 174.78 1x49 s ALA 30 N -2.08 3.43 -0.15 1.32 0.00 -1.26 -4.64 121.76 118.37 1x49 s ALA 30 Ca 0.29 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1x49 s ALA 30 Cb -0.07 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1x49 s ALA 30 CO 0.19 -1.31 0.32 0.42 0.00 0.00 0.00 175.76 175.38 1x49 s ILE 31 N 1.66 5.29 -0.04 0.00 1.01 -1.25 -3.46 121.20 124.40 1x49 s ILE 31 Ca 0.05 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1x49 s ILE 31 Cb -0.19 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1x49 s ILE 31 CO 0.09 0.39 -0.06 -0.89 0.00 0.00 0.00 174.94 174.47 1x49 s THR 32 N 0.40 0.65 -0.44 2.92 2.01 -0.64 -4.91 115.64 115.63 1x49 s THR 32 Ca 0.18 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 1x49 s THR 32 Cb -0.13 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 71.79 1x49 s THR 32 CO 0.05 0.24 0.33 -0.31 -0.69 0.00 0.00 174.62 174.24 1x49 s TYR 33 N 0.76 3.26 -0.18 4.92 1.51 -1.26 0.26 117.35 126.62 1x49 s TYR 33 Ca -0.11 -0.94 -0.23 0.00 -1.01 0.00 0.00 57.07 54.78 1x49 s TYR 33 Cb -0.14 -2.90 -0.02 0.00 -0.11 0.00 0.00 41.96 38.79 1x49 s TYR 33 CO 0.01 -0.74 0.72 0.21 -1.11 0.00 0.00 175.55 174.65 1x49 s LYS 34 N 1.61 4.25 -0.50 -0.62 2.20 0.27 -4.92 119.74 122.03 1x49 s LYS 34 Ca 0.04 0.80 -0.27 0.00 -0.36 0.00 0.00 55.97 56.18 1x49 s LYS 34 Cb -0.22 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1x49 s LYS 34 CO 0.07 -0.28 1.07 -2.00 -0.36 0.00 0.00 175.35 173.85 1x49 s GLU 35 N 2.02 3.60 0.86 4.03 2.12 -1.26 -2.61 118.70 127.46 1x49 s GLU 35 Ca 0.33 0.33 -0.08 0.00 0.36 0.00 0.00 54.97 55.91 1x49 s GLU 35 Cb -0.16 -3.94 0.19 0.00 0.26 0.00 0.00 34.13 30.47 1x49 s GLU 35 CO 0.11 -1.40 1.17 1.28 -0.54 0.00 0.00 175.26 175.89 1x49 n LEU 36 N 7.74 0.00 0.00 2.70 4.77 -0.86 -5.04 117.00 126.31 1x49 n LEU 36 Ca 0.09 -1.83 -0.21 0.00 -0.03 0.00 0.00 56.01 54.04 1x49 n LEU 36 Cb 0.49 -0.84 0.16 0.00 -2.33 0.00 0.00 43.42 40.90 1x49 n LEU 36 CO 0.69 -1.22 0.53 -1.20 -1.33 0.00 0.00 177.39 174.86 1x49 n SER 37 N -3.37 -0.80 -4.49 -1.43 7.64 -1.26 -4.49 113.62 105.42 1x49 n SER 37 Ca 0.17 -1.16 -0.32 0.00 1.01 0.00 0.00 58.87 58.56 1x49 n SER 37 Cb 0.59 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.96 1x49 n SER 37 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x49 s THR 38 N -2.73 3.12 -0.08 0.44 2.01 -1.26 -2.96 115.64 114.18 1x49 s THR 38 Ca 0.51 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 1x49 s THR 38 Cb -0.03 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1x49 s THR 38 CO 0.37 0.50 -0.05 -0.44 -0.69 0.00 0.00 174.62 174.32 1x49 s SER 39 N -1.00 1.64 0.00 3.53 0.01 -1.02 -4.94 113.70 111.92 1x49 s SER 39 Ca 0.13 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1x49 s SER 39 Cb -0.11 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1x49 s SER 39 CO 0.03 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1x49 n GLY 40 N 4.68 -0.63 3.67 3.44 0.00 -1.26 -3.89 105.19 111.19 1x49 n GLY 40 Ca -0.15 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 0.30 0.10 1.61 0.04 -1.11 -4.96 135.00 128.98 1x49 s PRO 41 Ca 0.00 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.38 1x49 s PRO 41 Cb 0.00 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 1x49 s PRO 41 CO 0.00 -2.81 1.42 -1.00 0.04 0.00 0.00 177.00 174.65 1x49 h PRO 42 N -1.95 0.72 -0.13 0.56 0.13 -2.03 -3.28 132.00 126.02 1x49 h PRO 42 Ca -0.55 -0.38 -0.03 0.00 -0.87 0.00 0.00 66.00 64.16 1x49 h PRO 42 Cb 1.33 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1x49 h PRO 42 CO 0.58 1.00 -0.05 1.12 -0.23 0.00 0.00 178.00 180.41 1x49 h HIS 43 N 0.46 0.30 -3.59 1.56 2.07 -2.06 -3.41 115.15 110.48 1x49 h HIS 43 Ca 0.05 -0.07 -0.67 0.00 -2.85 0.00 0.00 60.37 56.82 1x49 h HIS 43 Cb 0.87 -0.07 -0.27 0.00 2.57 0.00 0.00 27.41 30.51 1x49 h HIS 43 CO 0.07 0.59 -0.64 -0.51 -3.07 0.00 0.00 177.93 174.37 1x49 s ASP 44 N -5.90 5.02 -0.25 3.10 1.11 -1.24 -5.08 116.67 113.43 1x49 s ASP 44 Ca -0.14 -0.70 -0.08 0.00 0.18 0.00 0.00 52.55 51.81 1x49 s ASP 44 Cb 0.05 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.15 1x49 s ASP 44 CO 0.72 -0.17 0.08 -0.13 1.18 0.00 0.00 175.17 176.85 1x49 s ARG 45 N 1.49 3.67 -0.35 8.23 1.81 -1.26 -2.76 118.95 129.78 1x49 s ARG 45 Ca 0.03 -0.47 -0.19 0.00 -1.72 0.00 0.00 55.73 53.38 1x49 s ARG 45 Cb -0.17 -3.35 -0.00 0.00 -0.45 0.00 0.00 34.95 30.98 1x49 s ARG 45 CO 0.02 -0.19 0.56 1.03 -0.68 0.00 0.00 175.30 176.04 1x49 s ARG 46 N 1.63 3.66 -0.23 3.54 1.81 -1.25 -4.89 118.95 123.21 1x49 s ARG 46 Ca 0.06 -0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 53.79 1x49 s ARG 46 Cb -0.15 -3.80 -0.01 0.00 -0.45 0.00 0.00 34.95 30.54 1x49 s ARG 46 CO 0.04 -0.67 0.77 -0.06 -0.68 0.00 0.00 175.30 174.71 1x49 s PHE 47 N 2.51 3.32 0.05 -0.53 0.08 -1.01 -2.44 117.98 119.95 1x49 s PHE 47 Ca 0.21 1.06 -0.09 0.00 0.12 0.00 0.00 56.93 58.23 1x49 s PHE 47 Cb -0.15 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.27 1x49 s PHE 47 CO 0.14 -0.35 0.35 0.99 -0.10 0.00 0.00 175.22 176.24 1x49 s THR 48 N 2.63 5.17 0.17 0.64 2.01 -1.16 -2.00 115.64 123.11 1x49 s THR 48 Ca 0.33 0.37 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1x49 s THR 48 Cb -0.15 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1x49 s THR 48 CO 0.08 0.34 0.18 -0.36 -0.69 0.00 0.00 174.62 174.17 1x49 s PHE 49 N -1.34 0.76 -0.01 4.92 0.40 -0.36 -2.04 117.98 120.32 1x49 s PHE 49 Ca 0.30 -1.09 -0.26 0.00 -0.60 0.00 0.00 56.93 55.28 1x49 s PHE 49 Cb -0.14 -0.32 0.06 0.00 0.51 0.00 0.00 43.02 43.13 1x49 s PHE 49 CO 0.17 -0.65 0.58 1.14 0.70 0.00 0.00 175.22 177.16 1x49 s GLN 50 N -4.05 1.01 0.17 0.44 -2.07 -1.07 -0.05 119.66 114.03 1x49 s GLN 50 Ca 0.26 0.03 0.07 0.00 -1.82 0.00 0.00 55.36 53.90 1x49 s GLN 50 Cb 0.05 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1x49 s GLN 50 CO 0.05 -0.33 0.02 0.08 -1.32 0.00 0.00 175.29 173.78 1x49 s VAL 51 N -1.65 3.83 -0.20 3.63 1.01 -1.26 -0.57 120.40 125.19 1x49 s VAL 51 Ca -0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 1x49 s VAL 51 Cb -0.01 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.50 1x49 s VAL 51 CO 0.05 -0.10 -0.00 -0.76 0.00 0.00 0.00 175.10 174.28 1x49 s LEU 52 N -2.95 1.66 -0.17 3.92 1.02 0.14 -2.69 118.68 119.60 1x49 s LEU 52 Ca 0.28 -0.89 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 1x49 s LEU 52 Cb -0.09 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.29 1x49 s LEU 52 CO 0.19 -0.27 -0.10 -0.63 0.02 0.00 0.00 176.35 175.57 1x49 s ILE 53 N 1.69 3.12 -1.31 -0.59 1.01 -1.11 -1.62 121.20 122.38 1x49 s ILE 53 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1x49 s ILE 53 Cb -0.17 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1x49 s ILE 53 CO -0.07 0.48 0.93 -0.67 0.00 0.00 0.00 174.94 175.61 1x49 n ASP 54 N 4.15 -2.88 -2.36 3.58 -0.08 -1.22 -1.23 116.55 116.51 1x49 n ASP 54 Ca -0.18 -0.70 -0.20 0.00 -1.51 0.00 0.00 54.79 52.20 1x49 n ASP 54 Cb 0.52 -4.57 -0.01 0.00 2.34 0.00 0.00 41.12 39.39 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 -4.41 -1.71 -4.27 -0.67 1.02 -1.26 -4.97 120.64 104.37 1x49 n GLU 55 Ca -0.20 1.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.60 1x49 n GLU 55 Cb 0.63 -5.64 -0.11 0.00 -0.02 0.00 0.00 31.44 26.30 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x49 s LYS 56 N -4.97 3.72 -0.52 3.49 2.20 -0.37 -5.04 119.74 118.25 1x49 s LYS 56 Ca 0.00 -0.45 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 1x49 s LYS 56 Cb 0.00 -3.00 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1x49 s LYS 56 CO 0.00 0.29 0.80 -1.21 -0.36 0.00 0.00 175.35 174.87 1x49 s GLU 57 N 0.25 3.26 0.49 4.03 2.02 -1.26 -2.73 118.70 124.76 1x49 s GLU 57 Ca -0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.45 1x49 s GLU 57 Cb -0.13 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 1x49 s GLU 57 CO 0.02 -1.33 0.82 -0.06 0.02 0.00 0.00 175.26 174.73 1x49 s PHE 58 N 3.36 3.55 -0.46 1.61 0.40 -1.10 -4.99 117.98 120.35 1x49 s PHE 58 Ca 0.25 0.95 -0.28 0.00 -0.60 0.00 0.00 56.93 57.25 1x49 s PHE 58 Cb -0.15 -2.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.96 1x49 s PHE 58 CO 0.17 -0.30 1.77 -1.25 0.70 0.00 0.00 175.22 176.31 1x49 s PRO 59 N -4.60 3.07 0.98 0.24 0.04 -1.26 -4.65 135.00 128.81 1x49 s PRO 59 Ca 0.50 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 1x49 s PRO 59 Cb -0.10 -4.26 0.08 0.00 0.04 0.00 0.00 34.50 30.26 1x49 s PRO 59 CO 0.43 -2.19 -0.09 -0.85 0.04 0.00 0.00 177.00 174.34 1x49 n GLU 60 N 8.70 -1.51 -3.67 4.56 0.00 -1.26 -4.87 120.64 122.59 1x49 n GLU 60 Ca 0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 57.16 56.83 1x49 n GLU 60 Cb 0.49 -1.40 -0.05 0.00 0.00 0.00 0.00 31.44 30.49 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 -2.09 -0.83 0.18 -1.84 0.00 0.92 -4.88 121.76 113.23 1x49 s ALA 61 Ca 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1x49 s ALA 61 Cb -0.04 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 1x49 s ALA 61 CO 0.42 -0.64 0.40 0.15 0.00 0.00 0.00 175.76 176.09 1x49 s LYS 62 N -3.82 3.57 0.01 0.00 1.02 -1.26 -1.22 119.74 118.04 1x49 s LYS 62 Ca 0.04 -0.20 -0.22 0.00 0.02 0.00 0.00 55.97 55.61 1x49 s LYS 62 Cb 0.02 -2.83 0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1x49 s LYS 62 CO -0.11 0.42 0.50 0.20 -0.92 0.00 0.00 175.35 175.43 1x49 s GLY 63 N -2.82 -0.38 0.10 -3.33 0.00 -0.85 -4.72 107.32 95.32 1x49 s GLY 63 Ca 0.40 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.50 1x49 s GLY 63 CO 0.27 0.38 1.65 -0.09 0.00 0.00 0.00 173.10 175.30 1x49 h ARG 64 N 3.09 -0.52 -6.21 2.90 2.43 -1.87 -2.69 114.38 111.52 1x49 h ARG 64 Ca -0.30 0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.31 1x49 h ARG 64 Cb 1.19 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.72 1x49 h ARG 64 CO 0.41 -0.35 -0.74 -1.12 -1.51 0.00 0.00 179.97 176.66 1x49 s SER 65 N -4.74 3.73 0.20 -3.80 0.01 -1.26 -4.47 113.70 103.36 1x49 s SER 65 Ca -0.16 -0.98 -0.24 0.00 1.31 0.00 0.00 55.95 55.89 1x49 s SER 65 Cb 0.06 -0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.01 1x49 s SER 65 CO 0.64 0.03 1.55 0.11 0.41 0.00 0.00 173.24 175.98 1x49 h LYS 66 N 2.21 -0.01 0.37 12.44 1.79 -1.89 0.20 116.57 131.69 1x49 h LYS 66 Ca -0.41 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.05 1x49 h LYS 66 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1x49 h LYS 66 CO 0.60 -0.01 -0.18 1.96 -1.08 0.00 0.00 179.45 180.75 1x49 h GLN 67 N -0.01 -0.48 -1.04 3.15 7.50 -1.97 -2.53 115.11 119.73 1x49 h GLN 67 Ca 0.26 0.03 0.29 0.00 0.50 0.00 0.00 58.65 59.73 1x49 h GLN 67 Cb 0.52 0.11 -0.13 0.00 0.05 0.00 0.00 27.48 28.03 1x49 h GLN 67 CO -0.96 -0.32 0.63 1.49 -1.50 0.00 0.00 178.83 178.17 1x49 h GLU 68 N -0.51 0.41 -0.12 1.46 4.57 -1.33 0.12 114.58 119.18 1x49 h GLU 68 Ca -0.05 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1x49 h GLU 68 Cb 0.39 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1x49 h GLU 68 CO 0.08 0.27 0.06 0.00 -1.18 0.00 0.00 179.01 178.25 1x49 h ALA 69 N 1.73 0.15 -0.47 2.92 0.00 -0.27 -2.53 119.26 120.79 1x49 h ALA 69 Ca 0.68 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.61 1x49 h ALA 69 Cb 1.53 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1x49 h ALA 69 CO -0.47 -0.30 0.02 0.00 0.00 0.00 0.00 179.25 178.50 1x49 h ARG 70 N 0.08 0.14 -0.79 0.00 3.08 -0.53 0.72 114.38 117.08 1x49 h ARG 70 Ca 0.04 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1x49 h ARG 70 Cb 0.10 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1x49 h ARG 70 CO -0.01 0.09 0.51 -0.97 -1.07 0.00 0.00 179.97 178.53 1x49 h ASN 71 N 0.14 0.76 0.28 7.04 -1.24 -1.30 -1.54 115.58 119.73 1x49 h ASN 71 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1x49 h ASN 71 Cb 0.34 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1x49 h ASN 71 CO -0.37 0.50 -0.14 0.00 -1.29 0.00 0.00 177.43 176.13 1x49 h ALA 72 N 1.57 -0.38 -0.82 1.57 0.00 -0.64 -2.72 119.26 117.84 1x49 h ALA 72 Ca 0.33 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1x49 h ALA 72 Cb 0.19 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1x49 h ALA 72 CO -0.11 -0.48 0.57 0.00 0.00 0.00 0.00 179.25 179.23 1x49 h ALA 73 N -0.38 2.58 -0.22 0.00 0.00 -0.70 0.13 119.26 120.66 1x49 h ALA 73 Ca -0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1x49 h ALA 73 Cb 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x49 h ALA 73 CO 0.06 -0.82 -0.57 0.00 0.00 0.00 0.00 179.25 177.93 1x49 h ALA 74 N 1.61 0.58 -0.88 0.00 0.00 -1.23 -3.14 119.26 116.20 1x49 h ALA 74 Ca 0.40 -0.52 0.20 0.00 0.00 0.00 0.00 54.91 54.98 1x49 h ALA 74 Cb 1.39 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 1x49 h ALA 74 CO -0.06 0.69 0.41 -0.22 0.00 0.00 0.00 179.25 180.07 1x49 h LYS 75 N 0.52 0.45 -0.27 0.00 3.64 -0.40 0.20 116.57 120.71 1x49 h LYS 75 Ca 0.00 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1x49 h LYS 75 Cb 1.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1x49 h LYS 75 CO 0.12 0.30 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.09 1x49 h LEU 76 N 0.47 0.74 0.61 5.20 3.38 -1.54 -2.66 115.31 121.50 1x49 h LEU 76 Ca 0.53 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1x49 h LEU 76 Cb 0.94 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1x49 h LEU 76 CO -0.48 1.07 -0.29 0.00 0.09 0.00 0.00 178.44 178.83 1x49 h ALA 77 N 0.96 -0.96 -0.76 1.53 0.00 -0.69 -3.03 119.26 116.30 1x49 h ALA 77 Ca 0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1x49 h ALA 77 Cb 0.98 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1x49 h ALA 77 CO 0.09 -0.90 0.15 0.28 0.00 0.00 0.00 179.25 178.87 1x49 h VAL 78 N -1.02 0.44 -0.80 0.00 2.07 -0.92 0.50 116.25 116.51 1x49 h VAL 78 Ca -0.08 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.57 1x49 h VAL 78 Cb 0.62 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1x49 h VAL 78 CO 0.14 0.04 0.56 0.44 0.02 0.00 0.00 177.57 178.77 1x49 h ASP 79 N 0.23 0.13 0.00 0.57 3.32 -1.48 -1.96 116.42 117.23 1x49 h ASP 79 Ca 0.44 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1x49 h ASP 79 Cb 0.78 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1x49 h ASP 79 CO -0.57 0.06 -0.09 0.40 -1.72 0.00 0.00 179.24 177.32 1x49 h ILE 80 N 0.14 0.84 -0.89 0.35 2.04 0.07 -3.36 117.51 116.69 1x49 h ILE 80 Ca 0.39 -1.66 0.18 0.00 1.00 0.00 0.00 64.86 64.78 1x49 h ILE 80 Cb 1.35 1.61 -0.17 0.00 -0.74 0.00 0.00 36.82 38.87 1x49 h ILE 80 CO -0.06 0.28 -0.21 -0.07 0.00 0.00 0.00 178.15 178.10 1x49 h LEU 81 N -1.00 -0.80 -0.86 1.44 3.38 -0.74 0.33 115.31 117.05 1x49 h LEU 81 Ca -0.02 0.27 0.24 0.00 0.09 0.00 0.00 57.88 58.46 1x49 h LEU 81 Cb 0.53 0.54 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1x49 h LEU 81 CO -0.01 -0.29 0.04 -0.67 0.09 0.00 0.00 178.44 177.60 1x49 n ASP 82 N -5.56 -0.08 -0.01 -0.43 2.03 -0.79 0.66 116.55 112.38 1x49 n ASP 82 Ca 0.14 1.46 -0.11 0.00 0.52 0.00 0.00 54.79 56.80 1x49 n ASP 82 Cb 0.46 -0.54 -0.14 0.00 -0.72 0.00 0.00 41.12 40.18 1x49 n ASP 82 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1x49 h ASN 83 N 0.00 0.08 -3.28 1.67 2.35 -0.69 -3.47 115.58 112.24 1x49 h ASN 83 Ca 0.53 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.95 1x49 h ASN 83 Cb 1.12 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1x49 h ASN 83 CO -0.80 1.15 -0.18 1.21 -1.65 0.00 0.00 177.43 177.16 1x49 n GLU 84 N -3.14 -2.01 -0.03 0.81 2.13 0.21 -4.79 120.64 113.82 1x49 n GLU 84 Ca -0.19 0.41 -0.19 0.00 0.66 0.00 0.00 57.16 57.86 1x49 n GLU 84 Cb 1.05 -4.82 -0.13 0.00 0.27 0.00 0.00 31.44 27.80 1x49 n GLU 84 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x49 h ASN 85 N 0.00 0.20 -2.02 4.31 4.21 -1.85 -3.47 115.58 116.95 1x49 h ASN 85 Ca -0.18 -0.83 -0.57 0.00 1.21 0.00 0.00 56.30 55.93 1x49 h ASN 85 Cb 0.91 -0.06 0.22 0.00 -1.12 0.00 0.00 38.32 38.26 1x49 h ASN 85 CO 0.23 1.37 -1.62 0.29 -1.29 0.00 0.00 177.43 176.41 1x49 n LYS 86 N -4.27 0.00 -4.49 0.81 4.76 -1.26 -4.99 118.16 108.72 1x49 n LYS 86 Ca -0.20 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.03 1x49 n LYS 86 Cb 0.72 -1.02 -0.15 0.00 -1.84 0.00 0.00 35.03 32.74 1x49 n LYS 86 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x49 s VAL 87 N -2.00 0.94 0.68 -0.18 0.11 -1.26 -5.14 120.40 113.55 1x49 s VAL 87 Ca 0.46 -0.56 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 1x49 s VAL 87 Cb -0.28 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1x49 s VAL 87 CO 0.77 0.23 1.12 1.51 -3.33 0.00 0.00 175.10 175.40 1x49 s ASP 88 N -0.38 4.90 0.76 3.54 -4.77 -1.26 -5.03 116.67 114.42 1x49 s ASP 88 Ca 0.04 2.03 -0.11 0.00 -3.30 0.00 0.00 52.55 51.21 1x49 s ASP 88 Cb -0.05 -2.55 0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1x49 s ASP 88 CO -0.00 -1.77 1.13 0.00 0.70 0.00 0.00 175.17 175.22 1x49 s HIS 90 N -3.46 3.54 -0.14 0.00 -3.43 -1.26 -5.05 115.29 105.49 1x49 s HIS 90 Ca 0.60 0.73 -0.10 0.00 -0.80 0.00 0.00 55.06 55.49 1x49 s HIS 90 Cb -0.11 -2.22 -0.04 0.00 -1.43 0.00 0.00 32.58 28.79 1x49 s HIS 90 CO 0.49 -0.16 -0.17 2.41 -2.00 0.00 0.00 174.74 175.32 1x49 n THR 91 N -2.02 1.42 -2.96 -5.38 -1.04 -1.26 -4.91 114.28 98.13 1x49 n THR 91 Ca -0.01 0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.81 1x49 n THR 91 Cb 0.55 -2.38 -0.05 0.00 -1.82 0.00 0.00 70.33 66.63 1x49 n THR 91 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1x49 s SER 92 N -5.77 7.21 1.02 8.00 0.01 -1.26 -5.06 113.70 117.85 1x49 s SER 92 Ca -0.15 1.45 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 1x49 s SER 92 Cb 0.02 -2.47 0.20 0.00 0.21 0.00 0.00 66.02 63.98 1x49 s SER 92 CO 0.23 -0.01 1.12 -0.83 0.41 0.00 0.00 173.24 174.16 1x49 s GLY 93 N 0.07 1.58 0.76 3.44 0.00 -1.26 -5.05 107.32 106.85 1x49 s GLY 93 Ca 0.39 -0.61 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 1x49 s GLY 93 CO 0.23 0.07 0.67 -1.55 0.00 0.00 0.00 173.10 172.52 1x49 n PRO 94 N -4.18 -2.34 -1.18 2.90 -0.04 -1.26 -5.04 135.00 123.86 1x49 n PRO 94 Ca 0.08 -1.07 -0.30 0.00 -0.04 0.00 0.00 63.50 62.17 1x49 n PRO 94 Cb 0.59 -1.01 0.22 0.00 -0.04 0.00 0.00 33.50 33.26 1x49 n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x49 s SER 95 N -3.31 1.53 0.08 3.54 0.01 -1.26 -4.92 113.70 109.38 1x49 s SER 95 Ca 0.44 0.73 -0.31 0.00 1.31 0.00 0.00 55.95 58.12 1x49 s SER 95 Cb -0.04 -1.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.03 1x49 s SER 95 CO 0.33 -3.76 1.83 -0.94 0.41 0.00 0.00 173.24 171.12 1x49 s SER 96 N -3.88 6.47 0.00 2.44 1.04 -1.26 -5.32 113.70 113.18 1x49 s SER 96 Ca 0.70 2.67 0.21 0.00 0.48 0.00 0.00 55.95 60.02 1x49 s SER 96 Cb -0.11 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.62 1x49 s SER 96 CO 0.56 -1.00 1.18 0.61 0.98 0.00 0.00 173.24 175.57