#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 n LYS 2 N 0.00 -0.26 -0.25 0.00 5.02 -1.26 -5.03 118.16 116.38 1hr0 n LYS 2 Ca 0.00 0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 56.74 1hr0 n LYS 2 Cb 0.00 -1.23 0.21 0.00 -0.02 0.00 0.00 35.03 33.99 1hr0 n LYS 2 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1hr0 n GLU 3 N 0.09 -3.48 -0.11 1.97 1.02 -1.26 -4.98 120.64 113.90 1hr0 n GLU 3 Ca -0.02 -1.04 0.02 0.00 -0.02 0.00 0.00 57.16 56.10 1hr0 n GLU 3 Cb 0.03 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1hr0 n GLU 3 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hr0 n LYS 4 N -4.05 1.27 0.00 3.49 4.76 -1.26 -4.78 118.16 117.59 1hr0 n LYS 4 Ca 0.10 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 1hr0 n LYS 4 Cb 0.43 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 1hr0 n LYS 4 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1hr0 n ASP 5 N -0.49 0.42 -4.81 4.39 5.75 -1.26 -4.80 116.55 115.74 1hr0 n ASP 5 Ca 0.04 -1.34 -0.30 0.00 -0.01 0.00 0.00 54.79 53.18 1hr0 n ASP 5 Cb 0.49 -0.21 0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1hr0 n ASP 5 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hr0 s THR 6 N -1.37 2.90 0.15 2.12 2.01 -1.26 -3.92 115.64 116.27 1hr0 s THR 6 Ca 0.00 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1hr0 s THR 6 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1hr0 s THR 6 CO 0.00 -0.38 0.09 -0.63 -0.69 0.00 0.00 174.62 173.01 1hr0 s ILE 7 N -3.19 0.07 0.00 1.82 1.01 -1.08 -4.93 121.20 114.90 1hr0 s ILE 7 Ca 0.61 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1hr0 s ILE 7 Cb -0.14 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1hr0 s ILE 7 CO 0.54 -0.34 0.84 0.54 0.00 0.00 0.00 174.94 176.52 1hr0 n ARG 8 N -0.15 2.05 -0.86 2.79 5.12 -1.23 -2.67 116.66 121.71 1hr0 n ARG 8 Ca -0.04 -1.20 -0.29 0.00 -1.93 0.00 0.00 57.85 54.39 1hr0 n ARG 8 Cb 0.64 -0.90 0.02 0.00 -1.16 0.00 0.00 32.46 31.06 1hr0 n ARG 8 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1hr0 n THR 9 N -0.36 0.00 -3.53 0.55 5.66 -1.21 -3.66 114.28 111.73 1hr0 n THR 9 Ca 0.00 -0.39 -0.23 0.00 -3.05 0.00 0.00 64.05 60.39 1hr0 n THR 9 Cb 0.28 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.07 1hr0 n THR 9 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1hr0 s GLU 10 N -1.18 2.34 -0.04 1.09 2.02 -1.26 -0.50 118.70 121.17 1hr0 s GLU 10 Ca 0.37 -1.79 -0.17 0.00 0.02 0.00 0.00 54.97 53.40 1hr0 s GLU 10 Cb -0.25 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.69 1hr0 s GLU 10 CO 0.58 -0.60 0.77 0.41 0.02 0.00 0.00 175.26 176.44 1hr0 n GLY 11 N -1.88 0.29 3.18 -1.39 0.00 0.09 -1.03 105.19 104.45 1hr0 n GLY 11 Ca 0.05 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1hr0 n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 12 N -2.03 1.71 0.05 1.61 1.01 0.21 0.42 120.40 123.37 1hr0 s VAL 12 Ca 0.18 -0.85 -0.34 0.00 0.00 0.00 0.00 61.98 60.97 1hr0 s VAL 12 Cb -0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 36.38 34.79 1hr0 s VAL 12 CO -0.01 0.48 1.74 0.52 0.00 0.00 0.00 175.10 177.83 1hr0 n VAL 13 N 3.22 0.30 0.00 2.92 0.31 0.67 0.10 118.33 125.85 1hr0 n VAL 13 Ca -0.19 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1hr0 n VAL 13 Cb 0.53 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1hr0 n VAL 13 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1hr0 n THR 14 N 4.33 0.00 -3.02 2.52 -1.04 -1.24 -3.45 114.28 112.37 1hr0 n THR 14 Ca 0.19 0.13 -0.26 0.00 -2.04 0.00 0.00 64.05 62.08 1hr0 n THR 14 Cb 0.30 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.73 1hr0 n THR 14 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1hr0 s GLU 15 N -0.32 3.53 -0.67 -2.82 2.56 -1.26 -4.69 118.70 115.04 1hr0 s GLU 15 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.97 54.97 1hr0 s GLU 15 Cb 0.00 -2.52 0.35 0.00 2.00 0.00 0.00 34.13 33.96 1hr0 s GLU 15 CO 0.00 -0.01 1.21 0.00 -0.56 0.00 0.00 175.26 175.90 1hr0 n ALA 16 N -1.92 5.13 -0.50 6.30 0.00 -1.26 -2.44 120.51 125.81 1hr0 n ALA 16 Ca -0.02 -4.61 -0.28 0.00 0.00 0.00 0.00 53.44 48.54 1hr0 n ALA 16 Cb 0.55 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 19.14 1hr0 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hr0 n LEU 17 N -0.26 -1.63 -4.80 0.00 4.77 -0.54 -4.93 117.00 109.62 1hr0 n LEU 17 Ca 0.37 -0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1hr0 n LEU 17 Cb 0.39 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1hr0 n LEU 17 CO 0.38 -3.49 0.67 -2.16 -1.33 0.00 0.00 177.39 171.47 1hr0 s PRO 18 N -3.96 4.33 -0.73 3.23 0.04 -1.26 -3.76 135.00 132.89 1hr0 s PRO 18 Ca 0.56 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 1hr0 s PRO 18 Cb -0.13 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1hr0 s PRO 18 CO 0.56 0.05 0.68 0.09 0.04 0.00 0.00 177.00 178.42 1hr0 n ASN 19 N -0.07 -7.19 -4.07 6.66 3.02 -1.26 -3.65 115.26 108.70 1hr0 n ASN 19 Ca 0.05 -0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.00 1hr0 n ASN 19 Cb 0.51 -4.97 0.01 0.00 -0.61 0.00 0.00 39.78 34.73 1hr0 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hr0 n ALA 20 N -1.94 -2.52 -2.57 5.41 0.00 -1.26 -4.87 120.51 112.76 1hr0 n ALA 20 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 1hr0 n ALA 20 Cb 0.52 -2.53 -0.14 0.00 0.00 0.00 0.00 19.45 17.29 1hr0 n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hr0 s THR 21 N -3.64 1.34 0.07 0.00 2.01 -1.24 -2.53 115.64 111.65 1hr0 s THR 21 Ca 0.42 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1hr0 s THR 21 Cb -0.22 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1hr0 s THR 21 CO 0.96 0.14 0.16 -0.36 -0.69 0.00 0.00 174.62 174.84 1hr0 s PHE 22 N -0.74 0.17 -1.04 4.92 0.40 -0.55 -1.47 117.98 119.67 1hr0 s PHE 22 Ca 0.05 -0.56 0.28 0.00 -0.60 0.00 0.00 56.93 56.09 1hr0 s PHE 22 Cb -0.08 -0.09 0.97 0.00 0.51 0.00 0.00 43.02 44.33 1hr0 s PHE 22 CO 0.01 -0.49 1.74 -2.13 0.70 0.00 0.00 175.22 175.05 1hr0 n ARG 23 N 0.17 0.04 0.00 0.44 3.00 -1.02 -3.45 116.66 115.84 1hr0 n ARG 23 Ca -0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1hr0 n ARG 23 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.57 1hr0 n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1hr0 n VAL 24 N -1.47 0.00 -3.13 5.15 0.31 -1.25 -3.53 118.33 114.41 1hr0 n VAL 24 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 1hr0 n VAL 24 Cb 0.33 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.19 1hr0 n VAL 24 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1hr0 s LYS 25 N 0.00 3.41 0.14 5.55 2.47 0.28 -1.41 119.74 130.18 1hr0 s LYS 25 Ca 0.00 -0.26 -0.32 0.00 -1.56 0.00 0.00 55.97 53.83 1hr0 s LYS 25 Cb 0.00 -3.90 -0.11 0.00 -1.46 0.00 0.00 37.83 32.36 1hr0 s LYS 25 CO 0.00 -0.90 1.81 1.28 0.16 0.00 0.00 175.35 177.70 1hr0 n LEU 26 N 6.12 4.00 -0.30 5.43 4.77 0.42 0.63 117.00 138.08 1hr0 n LEU 26 Ca -0.02 1.00 0.17 0.00 -0.03 0.00 0.00 56.01 57.14 1hr0 n LEU 26 Cb 0.48 -1.55 0.44 0.00 -2.33 0.00 0.00 43.42 40.46 1hr0 n LEU 26 CO 0.51 0.16 1.21 0.44 -1.33 0.00 0.00 177.39 178.39 1hr0 h ASP 27 N 8.11 0.56 0.00 -1.43 3.32 -1.34 -3.14 116.42 122.50 1hr0 h ASP 27 Ca -0.46 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1hr0 h ASP 27 Cb 1.22 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1hr0 h ASP 27 CO 0.95 0.20 0.00 -0.24 -1.72 0.00 0.00 179.24 178.43 1hr0 n SER 28 N -4.62 0.00 0.00 6.45 2.88 -1.26 -4.93 113.62 112.15 1hr0 n SER 28 Ca 0.22 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1hr0 n SER 28 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1hr0 n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hr0 n GLY 29 N -0.10 0.31 0.00 0.46 0.00 -1.18 -5.14 105.19 99.53 1hr0 n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hr0 n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hr0 n PRO 30 N -0.75 3.69 -4.33 1.61 -0.02 -1.26 -4.78 135.00 129.17 1hr0 n PRO 30 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1hr0 n PRO 30 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.37 1hr0 n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1hr0 s GLU 31 N 3.26 1.28 0.22 -0.52 4.04 -1.26 0.16 118.70 125.88 1hr0 s GLU 31 Ca 0.00 -1.48 0.03 0.00 0.04 0.00 0.00 54.97 53.56 1hr0 s GLU 31 Cb 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 34.13 32.90 1hr0 s GLU 31 CO 0.00 0.22 -0.00 0.96 -1.84 0.00 0.00 175.26 174.60 1hr0 s ILE 32 N -2.48 0.96 0.65 1.83 -0.00 -0.50 -4.90 121.20 116.76 1hr0 s ILE 32 Ca 0.18 -2.02 0.36 0.00 -0.00 0.00 0.00 60.65 59.17 1hr0 s ILE 32 Cb -0.03 -2.30 0.38 0.00 -0.00 0.00 0.00 42.46 40.50 1hr0 s ILE 32 CO 0.07 -0.35 2.16 -0.07 -0.00 0.00 0.00 174.94 176.75 1hr0 h LEU 33 N 2.51 0.00 -0.33 0.37 -0.00 -1.68 -3.32 115.31 112.86 1hr0 h LEU 33 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1hr0 h LEU 33 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1hr0 h LEU 33 CO 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.08 1hr0 n ALA 34 N -2.07 -1.00 -2.67 1.53 0.00 -1.21 -3.12 120.51 111.97 1hr0 n ALA 34 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1hr0 n ALA 34 Cb 0.23 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1hr0 n ALA 34 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1hr0 s TYR 35 N 0.00 2.79 0.02 0.00 -0.85 -0.73 -1.48 117.35 117.09 1hr0 s TYR 35 Ca 0.00 -0.18 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 1hr0 s TYR 35 Cb 0.00 -1.28 -0.04 0.00 0.38 0.00 0.00 41.96 41.01 1hr0 s TYR 35 CO 0.00 0.57 1.13 0.42 -1.52 0.00 0.00 175.55 176.15 1hr0 s ILE 36 N -2.07 4.34 0.42 -3.49 1.01 -1.05 -1.41 121.20 118.94 1hr0 s ILE 36 Ca 0.30 1.67 -0.26 0.00 0.00 0.00 0.00 60.65 62.37 1hr0 s ILE 36 Cb -0.08 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1hr0 s ILE 36 CO 0.20 0.11 1.29 -0.24 0.00 0.00 0.00 174.94 176.30 1hr0 n SER 37 N 4.14 2.66 -0.00 3.58 2.88 -1.11 -4.79 113.62 120.98 1hr0 n SER 37 Ca 0.08 1.12 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1hr0 n SER 37 Cb 0.48 -1.51 -0.09 0.00 -0.75 0.00 0.00 64.21 62.34 1hr0 n SER 37 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1hr0 h GLY 38 N 2.16 -1.15 -0.06 0.46 0.00 -1.94 -0.27 103.07 102.27 1hr0 h GLY 38 Ca -0.48 0.68 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1hr0 h GLY 38 CO 0.60 -0.24 -0.03 0.28 0.00 0.00 0.00 176.54 177.15 1hr0 n LYS 39 N -5.11 -0.03 -0.32 4.80 4.76 -1.26 -0.26 118.16 120.75 1hr0 n LYS 39 Ca -0.06 0.88 0.20 0.00 -2.87 0.00 0.00 58.31 56.47 1hr0 n LYS 39 Cb 0.34 -1.32 0.41 0.00 -1.84 0.00 0.00 35.03 32.61 1hr0 n LYS 39 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1hr0 h MET 40 N 0.00 0.22 -0.05 1.97 2.86 -1.77 0.29 114.93 118.45 1hr0 h MET 40 Ca 0.01 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1hr0 h MET 40 Cb 0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1hr0 h MET 40 CO -0.05 0.14 -0.60 0.00 1.06 0.00 0.00 176.91 177.46 1hr0 h ARG 41 N 0.22 0.17 -0.07 1.72 3.08 0.12 -1.84 114.38 117.78 1hr0 h ARG 41 Ca 0.67 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.49 1hr0 h ARG 41 Cb 1.50 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1hr0 h ARG 41 CO -0.67 0.72 -0.46 1.98 -1.07 0.00 0.00 179.97 180.47 1hr0 h MET 42 N 0.13 0.16 -0.64 0.04 4.05 0.18 -1.92 114.93 116.93 1hr0 h MET 42 Ca -0.01 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1hr0 h MET 42 Cb 1.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1hr0 h MET 42 CO 0.09 0.59 0.00 0.72 0.23 0.00 0.00 176.91 178.54 1hr0 n HIS 43 N -3.99 1.71 0.00 1.39 8.25 -0.47 -5.02 115.22 117.09 1hr0 n HIS 43 Ca -0.02 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1hr0 n HIS 43 Cb 0.50 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1hr0 n HIS 43 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hr0 n TYR 44 N 0.99 0.00 -2.63 4.41 4.02 -0.71 -4.90 117.16 118.33 1hr0 n TYR 44 Ca 0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.14 1hr0 n TYR 44 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 1hr0 n TYR 44 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1hr0 n ILE 45 N 0.00 -8.09 -0.77 -0.72 5.41 -1.26 -4.13 119.36 109.81 1hr0 n ILE 45 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.43 1hr0 n ILE 45 Cb 0.00 -6.16 0.13 0.00 -0.71 0.00 0.00 39.64 32.90 1hr0 n ILE 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1hr0 n ARG 46 N -1.31 -0.49 -3.53 0.38 5.12 -1.26 -4.94 116.66 110.63 1hr0 n ARG 46 Ca 0.02 -0.10 -0.29 0.00 -1.93 0.00 0.00 57.85 55.55 1hr0 n ARG 46 Cb 0.47 -1.88 -0.14 0.00 -1.16 0.00 0.00 32.46 29.74 1hr0 n ARG 46 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1hr0 s ILE 47 N -2.40 0.01 0.72 0.55 1.01 -1.26 -5.04 121.20 114.80 1hr0 s ILE 47 Ca 0.58 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1hr0 s ILE 47 Cb -0.20 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1hr0 s ILE 47 CO 0.67 -0.78 0.93 0.18 0.00 0.00 0.00 174.94 175.93 1hr0 n LEU 48 N 4.99 3.25 -0.07 2.97 4.77 -1.26 -4.85 117.00 126.80 1hr0 n LEU 48 Ca -0.02 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1hr0 n LEU 48 Cb 0.41 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1hr0 n LEU 48 CO 0.06 -2.14 0.09 -0.81 -1.33 0.00 0.00 177.39 173.26 1hr0 n PRO 49 N -1.76 0.20 -2.69 3.23 -0.04 -1.26 -3.58 135.00 129.09 1hr0 n PRO 49 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1hr0 n PRO 49 Cb 0.49 -1.01 0.07 0.00 -0.04 0.00 0.00 33.50 33.01 1hr0 n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hr0 n GLY 50 N -0.20 1.46 3.59 0.55 0.00 -1.22 -3.73 105.19 105.64 1hr0 n GLY 50 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1hr0 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hr0 s ASP 51 N -2.23 4.44 0.03 1.61 1.01 -1.23 -4.78 116.67 115.51 1hr0 s ASP 51 Ca 0.25 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.76 1hr0 s ASP 51 Cb 0.43 -0.84 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 1hr0 s ASP 51 CO -0.02 0.14 1.13 -0.60 0.21 0.00 0.00 175.17 176.03 1hr0 s ARG 52 N -2.56 4.46 0.05 8.23 6.06 -1.26 -0.24 118.95 133.69 1hr0 s ARG 52 Ca 0.24 1.65 -0.01 0.00 -2.50 0.00 0.00 55.73 55.11 1hr0 s ARG 52 Cb -0.10 -3.41 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 1hr0 s ARG 52 CO 0.15 -0.22 -0.03 0.14 -2.50 0.00 0.00 175.30 172.84 1hr0 s VAL 53 N 1.19 0.20 -0.13 7.11 -7.23 0.17 -3.89 120.40 117.82 1hr0 s VAL 53 Ca 0.56 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1hr0 s VAL 53 Cb -0.26 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1hr0 s VAL 53 CO 0.28 -0.91 0.16 -0.69 -0.31 0.00 0.00 175.10 173.62 1hr0 s VAL 54 N -3.50 5.46 0.06 1.32 1.01 -1.23 -0.73 120.40 122.79 1hr0 s VAL 54 Ca 0.03 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.34 1hr0 s VAL 54 Cb 0.05 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1hr0 s VAL 54 CO -0.08 0.58 -0.24 -0.69 0.00 0.00 0.00 175.10 174.67 1hr0 s VAL 55 N -0.74 1.94 -0.33 2.92 1.01 0.34 -0.80 120.40 124.74 1hr0 s VAL 55 Ca 0.14 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1hr0 s VAL 55 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1hr0 s VAL 55 CO 0.03 0.26 0.13 -0.70 0.00 0.00 0.00 175.10 174.82 1hr0 s GLU 56 N -1.32 2.99 -0.16 2.72 2.12 -0.03 -3.34 118.70 121.68 1hr0 s GLU 56 Ca 0.10 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.50 1hr0 s GLU 56 Cb -0.10 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.79 1hr0 s GLU 56 CO 0.02 -0.54 -0.20 0.42 -0.54 0.00 0.00 175.26 174.43 1hr0 s ILE 57 N 1.52 2.17 -0.16 -3.70 1.01 -1.09 -1.86 121.20 119.08 1hr0 s ILE 57 Ca 0.02 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 1hr0 s ILE 57 Cb -0.18 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1hr0 s ILE 57 CO 0.04 0.54 0.82 -0.89 0.00 0.00 0.00 174.94 175.45 1hr0 s THR 58 N 1.03 4.90 0.46 2.92 2.01 -1.26 -2.63 115.64 123.06 1hr0 s THR 58 Ca -0.02 1.61 0.23 0.00 0.31 0.00 0.00 61.69 63.82 1hr0 s THR 58 Cb -0.14 -4.12 0.42 0.00 0.01 0.00 0.00 72.50 68.67 1hr0 s THR 58 CO -0.06 0.04 1.85 1.55 -0.69 0.00 0.00 174.62 177.32 1hr0 h PRO 59 N 7.31 0.24 -1.06 4.92 0.13 -1.96 0.25 132.00 141.82 1hr0 h PRO 59 Ca -0.30 -0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.18 1hr0 h PRO 59 Cb 1.14 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.06 1hr0 h PRO 59 CO 0.83 0.16 0.62 1.88 -0.23 0.00 0.00 178.00 181.25 1hr0 h TYR 60 N 0.24 0.82 -1.77 1.56 0.99 -1.92 -3.23 116.97 113.67 1hr0 h TYR 60 Ca 0.47 0.03 -0.33 0.00 2.00 0.00 0.00 58.73 60.91 1hr0 h TYR 60 Cb 1.44 -0.21 -0.29 0.00 1.00 0.00 0.00 36.73 38.68 1hr0 h TYR 60 CO -0.00 -0.25 -0.66 0.34 -0.00 0.00 0.00 178.16 177.59 1hr0 s ASP 61 N -4.74 0.60 0.47 3.88 3.68 0.87 -4.99 116.67 116.44 1hr0 s ASP 61 Ca -0.09 -1.62 0.13 0.00 2.13 0.00 0.00 52.55 53.09 1hr0 s ASP 61 Cb 0.31 0.78 1.07 0.00 -1.45 0.00 0.00 42.92 43.63 1hr0 s ASP 61 CO 0.79 -0.22 2.07 1.55 0.13 0.00 0.00 175.17 179.50 1hr0 h PRO 62 N 6.75 0.17 0.00 4.34 0.13 -1.56 -2.18 132.00 139.65 1hr0 h PRO 62 Ca 0.07 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1hr0 h PRO 62 Cb 1.07 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1hr0 h PRO 62 CO 0.18 0.16 0.36 1.15 -0.23 0.00 0.00 178.00 179.63 1hr0 h THR 63 N 0.17 0.00 -3.44 1.56 2.02 -1.92 -3.42 112.91 107.88 1hr0 h THR 63 Ca 0.04 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.76 1hr0 h THR 63 Cb 0.08 0.55 -0.18 0.00 -1.74 0.00 0.00 68.15 66.86 1hr0 h THR 63 CO -0.00 0.00 -0.77 -0.13 0.37 0.00 0.00 175.52 174.99 1hr0 s ARG 64 N -3.93 1.14 0.01 6.66 0.52 -0.82 -2.63 118.95 119.90 1hr0 s ARG 64 Ca -0.03 -1.33 -0.28 0.00 -0.52 0.00 0.00 55.73 53.57 1hr0 s ARG 64 Cb 0.07 -1.10 0.07 0.00 0.52 0.00 0.00 34.95 34.52 1hr0 s ARG 64 CO 0.23 0.22 0.68 0.20 0.02 0.00 0.00 175.30 176.65 1hr0 s GLY 65 N -2.58 -0.57 -0.11 -3.53 0.00 -1.26 -4.41 107.32 94.86 1hr0 s GLY 65 Ca 0.12 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.91 1hr0 s GLY 65 CO 0.05 0.70 0.04 -1.60 0.00 0.00 0.00 173.10 172.28 1hr0 s ARG 66 N -2.02 3.29 -0.33 2.90 3.52 -0.78 -1.78 118.95 123.75 1hr0 s ARG 66 Ca -0.06 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 54.90 1hr0 s ARG 66 Cb -0.00 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1hr0 s ARG 66 CO 0.02 0.61 1.11 0.42 -0.81 0.00 0.00 175.30 176.65 1hr0 s ILE 67 N -0.61 4.44 -0.06 4.11 1.01 -0.50 -0.85 121.20 128.74 1hr0 s ILE 67 Ca 0.11 1.65 -0.05 0.00 0.00 0.00 0.00 60.65 62.35 1hr0 s ILE 67 Cb -0.12 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 1hr0 s ILE 67 CO 0.02 -0.51 -0.10 0.52 0.00 0.00 0.00 174.94 174.87 1hr0 n VAL 68 N 5.97 0.59 -2.54 2.92 0.31 0.02 -2.74 118.33 122.86 1hr0 n VAL 68 Ca 0.12 0.37 -0.43 0.00 -0.01 0.00 0.00 64.34 64.40 1hr0 n VAL 68 Cb 0.47 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1hr0 n VAL 68 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1hr0 s TYR 69 N -1.63 3.08 -0.48 3.52 1.51 -1.25 -4.86 117.35 117.23 1hr0 s TYR 69 Ca -0.09 1.22 -0.28 0.00 -1.01 0.00 0.00 57.07 56.91 1hr0 s TYR 69 Cb 0.01 -3.41 0.01 0.00 -0.11 0.00 0.00 41.96 38.46 1hr0 s TYR 69 CO 0.13 -1.12 1.41 -0.98 -1.11 0.00 0.00 175.55 173.88 1hr0 s ARG 70 N 3.38 3.44 0.00 -0.62 1.70 -1.26 -3.57 118.95 122.02 1hr0 s ARG 70 Ca 0.50 0.71 0.00 0.00 -0.47 0.00 0.00 55.73 56.47 1hr0 s ARG 70 Cb -0.18 -4.07 0.00 0.00 -0.57 0.00 0.00 34.95 30.13 1hr0 s ARG 70 CO 0.11 -1.74 0.00 1.63 -1.08 0.00 0.00 175.30 174.22