#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s ARG 3 N 0.00 3.20 0.01 0.54 0.52 -1.26 -5.10 118.95 116.86 1hr0 s ARG 3 Ca 0.00 0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 55.37 1hr0 s ARG 3 Cb 0.00 -2.13 0.10 0.00 0.52 0.00 0.00 34.95 33.44 1hr0 s ARG 3 CO 0.00 -0.72 0.83 -1.54 0.02 0.00 0.00 175.30 173.89 1hr0 s SER 4 N -4.26 -0.42 0.38 0.23 1.04 -1.26 -5.05 113.70 104.36 1hr0 s SER 4 Ca 0.55 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1hr0 s SER 4 Cb -0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1hr0 s SER 4 CO 0.50 -0.67 0.00 0.18 0.98 0.00 0.00 173.24 174.24 1hr0 n LEU 5 N -0.15 -3.43 0.00 2.42 4.77 -1.26 -5.16 117.00 114.19 1hr0 n LEU 5 Ca -0.11 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1hr0 n LEU 5 Cb 0.62 3.28 0.00 0.00 -2.33 0.00 0.00 43.42 44.99 1hr0 n LEU 5 CO 0.12 0.18 0.00 0.29 -1.33 0.00 0.00 177.39 176.65 1hr0 n LYS 6 N -3.28 0.00 -3.55 3.23 5.02 -1.26 -5.00 118.16 113.31 1hr0 n LYS 6 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1hr0 n LYS 6 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 1hr0 n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1hr0 s LYS 7 N 0.00 0.27 0.00 1.97 -2.85 -1.26 -4.94 119.74 112.93 1hr0 s LYS 7 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 1hr0 s LYS 7 Cb 0.00 -1.26 0.00 0.00 -2.06 0.00 0.00 37.83 34.51 1hr0 s LYS 7 CO 0.00 -1.03 0.00 0.41 0.10 0.00 0.00 175.35 174.83 1hr0 n GLY 8 N 5.12 0.27 2.74 0.59 0.00 -1.26 -5.12 105.19 107.53 1hr0 n GLY 8 Ca -0.04 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1hr0 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hr0 n VAL 9 N 0.00 0.35 -4.56 1.61 0.31 -1.26 -4.97 118.33 109.81 1hr0 n VAL 9 Ca 0.00 -0.42 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 1hr0 n VAL 9 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1hr0 n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1hr0 s PHE 10 N -1.49 2.99 -0.24 3.52 5.99 -1.26 -5.05 117.98 122.44 1hr0 s PHE 10 Ca 0.49 0.05 -0.03 0.00 0.00 0.00 0.00 56.93 57.44 1hr0 s PHE 10 Cb -0.49 -1.74 0.12 0.00 0.00 0.00 0.00 43.02 40.92 1hr0 s PHE 10 CO 0.53 0.35 0.33 0.08 -0.00 0.00 0.00 175.22 176.51 1hr0 s VAL 11 N -0.78 -0.51 -0.19 3.12 1.01 -1.26 0.69 120.40 122.47 1hr0 s VAL 11 Ca 0.12 -0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.64 1hr0 s VAL 11 Cb -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1hr0 s VAL 11 CO 0.02 -0.18 2.07 0.47 0.00 0.00 0.00 175.10 177.48 1hr0 n ASP 12 N 5.35 3.08 -0.01 3.32 9.92 -1.26 -4.74 116.55 132.21 1hr0 n ASP 12 Ca -0.04 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1hr0 n ASP 12 Cb 0.50 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1hr0 n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1hr0 n ASP 13 N 9.08 0.00 -0.13 -2.24 3.85 -1.26 -2.38 116.55 123.48 1hr0 n ASP 13 Ca 0.30 -0.28 -0.08 0.00 -0.71 0.00 0.00 54.79 54.02 1hr0 n ASP 13 Cb 0.33 -0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.10 1hr0 n ASP 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1hr0 h HIS 14 N 0.01 0.52 0.00 2.11 3.86 -1.98 -2.98 115.15 116.69 1hr0 h HIS 14 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1hr0 h HIS 14 Cb 0.00 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 1hr0 h HIS 14 CO 0.00 0.36 -2.06 1.47 0.86 0.00 0.00 177.93 178.56 1hr0 n LEU 15 N -4.78 0.00 -0.08 2.43 -0.00 -1.00 -3.84 117.00 109.72 1hr0 n LEU 15 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.95 1hr0 n LEU 15 Cb 0.04 0.29 -0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1hr0 n LEU 15 CO 0.35 0.29 0.74 0.25 -0.00 0.00 0.00 177.39 179.03 1hr0 h LEU 16 N 0.00 -0.55 -1.24 1.47 5.85 -1.52 2.05 115.31 121.36 1hr0 h LEU 16 Ca -0.32 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1hr0 h LEU 16 Cb 1.68 0.30 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1hr0 h LEU 16 CO 0.02 -0.20 0.00 -1.84 -0.34 0.00 0.00 178.44 176.08 1hr0 n GLU 17 N -5.34 1.82 -0.00 1.25 0.28 -1.13 -3.01 120.64 114.51 1hr0 n GLU 17 Ca 0.00 -1.22 0.06 0.00 -0.16 0.00 0.00 57.16 55.84 1hr0 n GLU 17 Cb 0.25 -1.41 -0.08 0.00 1.43 0.00 0.00 31.44 31.63 1hr0 n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1hr0 n LYS 18 N 0.45 1.94 -0.04 3.44 4.81 0.33 -3.63 118.16 125.47 1hr0 n LYS 18 Ca 0.16 -0.04 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 1hr0 n LYS 18 Cb 0.36 -1.19 -0.13 0.00 0.02 0.00 0.00 35.03 34.09 1hr0 n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1hr0 n VAL 19 N -1.52 1.68 0.17 3.15 3.14 0.67 -3.92 118.33 121.70 1hr0 n VAL 19 Ca 0.01 -0.46 0.04 0.00 -2.96 0.00 0.00 64.34 60.97 1hr0 n VAL 19 Cb 0.25 -1.81 0.23 0.00 -1.06 0.00 0.00 33.84 31.45 1hr0 n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1hr0 h LEU 20 N -0.29 0.00 -1.64 6.55 8.10 -1.72 -1.91 115.31 124.40 1hr0 h LEU 20 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.56 1hr0 h LEU 20 Cb 1.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.02 1hr0 h LEU 20 CO -0.03 0.46 0.00 -0.08 -4.11 0.00 0.00 178.44 174.67 1hr0 h GLU 21 N 0.00 0.00 0.00 0.17 4.81 -1.72 0.26 114.58 118.10 1hr0 h GLU 21 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1hr0 h GLU 21 Cb 1.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1hr0 h GLU 21 CO 0.06 0.00 -1.42 1.28 -0.73 0.00 0.00 179.01 178.20 1hr0 n LEU 22 N -2.80 0.77 -0.60 1.64 4.77 -0.76 -3.76 117.00 116.26 1hr0 n LEU 22 Ca -0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1hr0 n LEU 22 Cb 0.20 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1hr0 n LEU 22 CO 0.22 0.09 0.21 0.59 -1.33 0.00 0.00 177.39 177.16 1hr0 n ASN 23 N -2.81 0.96 -0.05 -1.43 3.02 0.92 -1.55 115.26 114.32 1hr0 n ASN 23 Ca -0.09 -1.37 -0.04 0.00 -0.03 0.00 0.00 54.58 53.06 1hr0 n ASN 23 Cb 0.79 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 1hr0 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hr0 n ALA 24 N 0.26 1.82 -1.21 5.41 0.00 -1.21 -4.33 120.51 121.24 1hr0 n ALA 24 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 53.44 52.79 1hr0 n ALA 24 Cb 0.21 -0.06 0.19 0.00 0.00 0.00 0.00 19.45 19.79 1hr0 n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hr0 n LYS 25 N -2.37 1.85 0.00 0.00 4.01 -0.59 -5.03 118.16 116.03 1hr0 n LYS 25 Ca -0.17 -2.88 0.00 0.00 -0.51 0.00 0.00 58.31 54.75 1hr0 n LYS 25 Cb 0.81 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.66 1hr0 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hr0 n GLY 26 N -1.09 0.97 0.00 0.72 0.00 -0.88 -4.81 105.19 100.10 1hr0 n GLY 26 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1hr0 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hr0 n GLU 27 N 0.00 0.00 0.00 1.61 -0.58 -1.18 -3.19 120.64 117.31 1hr0 n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1hr0 n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1hr0 n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1hr0 n LYS 28 N 0.00 0.00 -2.98 3.49 4.81 -1.26 -4.58 118.16 117.63 1hr0 n LYS 28 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1hr0 n LYS 28 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1hr0 n LYS 28 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1hr0 n ARG 29 N 0.00 0.52 -0.08 1.64 1.74 -1.26 -5.06 116.66 114.16 1hr0 n ARG 29 Ca 0.00 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 1hr0 n ARG 29 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1hr0 n ARG 29 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1hr0 n LEU 30 N 2.42 -1.51 -4.08 0.55 0.00 -1.26 -5.08 117.00 108.03 1hr0 n LEU 30 Ca 0.20 0.15 -0.19 0.00 0.00 0.00 0.00 56.01 56.17 1hr0 n LEU 30 Cb 0.55 0.80 -0.14 0.00 0.00 0.00 0.00 43.42 44.63 1hr0 n LEU 30 CO 0.05 0.00 -0.45 -0.63 0.00 0.00 0.00 177.39 176.36 1hr0 s ILE 31 N -1.67 0.89 -0.32 1.96 -1.09 -0.50 -5.01 121.20 115.46 1hr0 s ILE 31 Ca 0.00 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 1hr0 s ILE 31 Cb 0.00 -0.79 0.06 0.00 -1.58 0.00 0.00 42.46 40.15 1hr0 s ILE 31 CO 0.00 0.07 0.03 -1.59 -1.23 0.00 0.00 174.94 172.22 1hr0 s LYS 32 N -0.74 2.26 0.09 2.79 -2.85 -1.26 0.68 119.74 120.71 1hr0 s LYS 32 Ca 0.01 -1.42 0.09 0.00 -1.00 0.00 0.00 55.97 53.66 1hr0 s LYS 32 Cb -0.06 -3.22 -0.04 0.00 -2.06 0.00 0.00 37.83 32.45 1hr0 s LYS 32 CO 0.00 -0.72 -0.20 -0.08 0.10 0.00 0.00 175.35 174.46 1hr0 s THR 33 N 1.19 2.68 -2.82 3.79 -1.32 -1.02 -4.98 115.64 113.16 1hr0 s THR 33 Ca -0.02 -1.43 0.24 0.00 -1.21 0.00 0.00 61.69 59.28 1hr0 s THR 33 Cb -0.20 -2.18 0.29 0.00 -1.51 0.00 0.00 72.50 68.90 1hr0 s THR 33 CO -0.03 0.20 1.37 0.79 -2.21 0.00 0.00 174.62 174.74 1hr0 n TRP 34 N 1.14 0.07 -2.97 9.09 8.01 -1.26 -3.12 117.44 128.40 1hr0 n TRP 34 Ca -0.16 -0.04 -0.44 0.00 -1.31 0.00 0.00 57.50 55.55 1hr0 n TRP 34 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.83 1hr0 n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1hr0 n SER 35 N 1.14 5.29 0.00 -0.99 2.88 -1.26 -4.64 113.62 116.04 1hr0 n SER 35 Ca 0.16 -3.01 0.13 0.00 -1.33 0.00 0.00 58.87 54.82 1hr0 n SER 35 Cb 0.55 -1.52 0.69 0.00 -0.75 0.00 0.00 64.21 63.18 1hr0 n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1hr0 n ARG 36 N 4.89 0.53 0.20 -1.46 1.85 -1.26 -3.46 116.66 117.96 1hr0 n ARG 36 Ca 0.35 0.03 -0.09 0.00 -1.00 0.00 0.00 57.85 57.14 1hr0 n ARG 36 Cb 0.41 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 1hr0 n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hr0 h ARG 37 N 0.00 -0.54 -5.72 2.89 2.47 -1.83 -2.89 114.38 108.76 1hr0 h ARG 37 Ca 0.00 0.04 -0.64 0.00 -1.26 0.00 0.00 59.98 58.12 1hr0 h ARG 37 Cb 0.15 0.12 0.10 0.00 -1.65 0.00 0.00 29.97 28.69 1hr0 h ARG 37 CO 0.00 -0.36 -0.50 -1.13 0.56 0.00 0.00 179.97 178.55 1hr0 n SER 38 N -4.46 -1.17 -4.75 7.04 3.41 -1.22 -4.80 113.62 107.66 1hr0 n SER 38 Ca -0.07 1.08 -0.40 0.00 -0.26 0.00 0.00 58.87 59.22 1hr0 n SER 38 Cb 0.22 -0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1hr0 n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hr0 s THR 39 N -0.94 4.55 -0.04 6.66 2.01 0.22 -3.66 115.64 124.44 1hr0 s THR 39 Ca 0.61 1.74 -0.30 0.00 0.31 0.00 0.00 61.69 64.05 1hr0 s THR 39 Cb -0.89 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 67.41 1hr0 s THR 39 CO 0.53 0.42 1.32 -0.63 -0.69 0.00 0.00 174.62 175.57 1hr0 s ILE 40 N -0.47 3.97 0.19 1.82 1.01 -0.28 -4.69 121.20 122.76 1hr0 s ILE 40 Ca 0.39 1.31 0.10 0.00 0.00 0.00 0.00 60.65 62.45 1hr0 s ILE 40 Cb -0.22 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1hr0 s ILE 40 CO 0.25 -0.02 -0.17 0.68 0.00 0.00 0.00 174.94 175.68 1hr0 s VAL 41 N 2.50 2.75 0.05 2.92 -7.23 -1.26 -3.88 120.40 116.25 1hr0 s VAL 41 Ca 0.60 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 1hr0 s VAL 41 Cb -0.28 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1hr0 s VAL 41 CO 0.24 -0.11 0.70 -2.65 -0.31 0.00 0.00 175.10 172.97 1hr0 n PRO 42 N 0.18 -0.14 -0.60 4.82 -0.02 -1.26 0.60 135.00 138.58 1hr0 n PRO 42 Ca -0.12 0.69 0.47 0.00 -2.02 0.00 0.00 63.50 62.53 1hr0 n PRO 42 Cb 0.56 -1.02 0.75 0.00 -0.02 0.00 0.00 33.50 33.76 1hr0 n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1hr0 n GLU 43 N -3.77 -0.01 0.27 -0.52 0.00 -1.26 0.17 120.64 115.51 1hr0 n GLU 43 Ca 0.01 1.12 0.17 0.00 0.00 0.00 0.00 57.16 58.45 1hr0 n GLU 43 Cb 0.08 -2.42 0.63 0.00 0.00 0.00 0.00 31.44 29.73 1hr0 n GLU 43 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1hr0 h MET 44 N 0.00 0.00 -6.83 3.44 2.86 -0.24 -3.45 114.93 110.71 1hr0 h MET 44 Ca 0.89 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 58.04 1hr0 h MET 44 Cb 3.33 0.00 0.22 0.00 0.06 0.00 0.00 31.60 35.21 1hr0 h MET 44 CO -0.18 0.00 -0.63 0.28 1.06 0.00 0.00 176.91 177.44 1hr0 n VAL 45 N -3.10 0.00 0.00 -2.22 0.31 0.45 -2.20 118.33 111.57 1hr0 n VAL 45 Ca 0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1hr0 n VAL 45 Cb 0.33 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1hr0 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hr0 n GLY 46 N 1.53 0.76 0.43 2.92 0.00 -0.32 -4.89 105.19 105.62 1hr0 n GLY 46 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1hr0 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hr0 n HIS 47 N -0.05 -2.96 -3.29 1.61 -0.00 -0.94 -4.82 115.22 104.77 1hr0 n HIS 47 Ca 0.00 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.72 57.53 1hr0 n HIS 47 Cb 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.99 29.79 1hr0 n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1hr0 s THR 48 N -1.23 -0.68 -0.24 1.59 2.01 -1.26 -2.74 115.64 113.09 1hr0 s THR 48 Ca 0.09 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 1hr0 s THR 48 Cb -0.01 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1hr0 s THR 48 CO 0.07 -0.24 0.10 -0.63 -0.69 0.00 0.00 174.62 173.23 1hr0 s ILE 49 N 2.58 4.65 -0.47 1.82 1.01 -0.53 -1.41 121.20 128.85 1hr0 s ILE 49 Ca 0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 1hr0 s ILE 49 Cb -0.12 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1hr0 s ILE 49 CO -0.28 0.34 0.74 0.00 0.00 0.00 0.00 174.94 175.74 1hr0 s ALA 50 N 1.40 3.30 0.23 9.38 0.00 0.21 -1.34 121.76 134.94 1hr0 s ALA 50 Ca 0.06 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 1hr0 s ALA 50 Cb -0.15 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1hr0 s ALA 50 CO 0.05 -1.96 0.61 0.08 0.00 0.00 0.00 175.76 174.54 1hr0 s VAL 51 N 3.16 4.82 0.17 0.00 1.01 -0.46 -2.42 120.40 126.68 1hr0 s VAL 51 Ca 0.26 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1hr0 s VAL 51 Cb -0.14 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 1hr0 s VAL 51 CO 0.20 0.01 0.86 -0.47 0.00 0.00 0.00 175.10 175.70 1hr0 s TYR 52 N -1.74 3.90 -0.40 5.22 5.04 -1.18 -0.10 117.35 128.09 1hr0 s TYR 52 Ca 0.46 1.74 0.23 0.00 -2.44 0.00 0.00 57.07 57.06 1hr0 s TYR 52 Cb -0.12 -2.89 0.07 0.00 0.35 0.00 0.00 41.96 39.36 1hr0 s TYR 52 CO 0.20 0.42 1.07 0.09 -1.34 0.00 0.00 175.55 175.98 1hr0 n ASN 53 N 1.89 0.71 0.00 4.32 5.03 0.22 -4.84 115.26 122.59 1hr0 n ASN 53 Ca -0.03 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1hr0 n ASN 53 Cb 0.48 0.56 0.00 0.00 -1.02 0.00 0.00 39.78 39.81 1hr0 n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hr0 n GLY 54 N 1.26 1.27 1.52 7.41 0.00 -1.26 -4.82 105.19 110.57 1hr0 n GLY 54 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1hr0 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hr0 n LYS 55 N -0.63 0.00 -4.60 1.61 4.81 -1.26 -5.15 118.16 112.94 1hr0 n LYS 55 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1hr0 n LYS 55 Cb 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 35.03 34.89 1hr0 n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1hr0 s GLN 56 N -1.76 1.92 -0.54 1.64 -1.52 -1.26 -5.10 119.66 113.04 1hr0 s GLN 56 Ca 0.00 -2.12 0.02 0.00 -1.95 0.00 0.00 55.36 51.31 1hr0 s GLN 56 Cb 0.00 -1.35 0.14 0.00 -0.22 0.00 0.00 33.01 31.57 1hr0 s GLN 56 CO 0.00 -0.17 0.30 -1.01 -0.25 0.00 0.00 175.29 174.16 1hr0 s HIS 57 N -2.92 3.28 -0.31 0.91 3.76 -1.26 -0.61 115.29 118.14 1hr0 s HIS 57 Ca 0.29 -3.04 -0.29 0.00 -0.15 0.00 0.00 55.06 51.87 1hr0 s HIS 57 Cb 0.08 -2.93 0.02 0.00 1.11 0.00 0.00 32.58 30.85 1hr0 s HIS 57 CO 0.14 -0.78 1.06 0.14 -0.85 0.00 0.00 174.74 174.46 1hr0 s VAL 58 N -0.16 4.53 0.16 -0.90 -7.23 0.85 -4.69 120.40 112.95 1hr0 s VAL 58 Ca 0.17 1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 61.75 1hr0 s VAL 58 Cb -0.24 -4.40 -0.10 0.00 0.56 0.00 0.00 36.38 32.20 1hr0 s VAL 58 CO -0.01 -0.45 1.68 -2.16 -0.31 0.00 0.00 175.10 173.84 1hr0 s PRO 59 N 3.60 4.17 -0.14 4.82 0.04 -1.26 -1.35 135.00 144.88 1hr0 s PRO 59 Ca 0.45 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.98 1hr0 s PRO 59 Cb -0.12 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1hr0 s PRO 59 CO 0.15 -0.72 -0.15 0.08 0.04 0.00 0.00 177.00 176.40 1hr0 s VAL 60 N 1.66 1.58 -0.56 -0.36 1.01 -0.45 -4.90 120.40 118.38 1hr0 s VAL 60 Ca 0.74 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1hr0 s VAL 60 Cb -0.46 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1hr0 s VAL 60 CO 0.33 0.46 1.01 -0.47 0.00 0.00 0.00 175.10 176.43 1hr0 s TYR 61 N 1.29 2.73 -0.07 5.22 5.04 -1.26 -1.45 117.35 128.85 1hr0 s TYR 61 Ca 0.01 0.09 -0.30 0.00 -2.44 0.00 0.00 57.07 54.43 1hr0 s TYR 61 Cb -0.14 -4.20 -0.03 0.00 0.35 0.00 0.00 41.96 37.95 1hr0 s TYR 61 CO -0.07 -1.43 1.12 -1.50 -1.34 0.00 0.00 175.55 172.32 1hr0 s ILE 62 N 4.24 4.47 0.37 3.14 1.10 -1.11 -5.01 121.20 128.42 1hr0 s ILE 62 Ca 0.34 1.77 0.08 0.00 -0.51 0.00 0.00 60.65 62.33 1hr0 s ILE 62 Cb -0.11 -4.14 -0.07 0.00 0.15 0.00 0.00 42.46 38.29 1hr0 s ILE 62 CO 0.21 0.01 -0.05 -0.89 -2.11 0.00 0.00 174.94 172.11 1hr0 s THR 63 N 2.04 2.10 0.04 4.00 2.01 -1.26 -1.18 115.64 123.40 1hr0 s THR 63 Ca 0.53 -2.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.14 1hr0 s THR 63 Cb -0.22 -2.79 -0.17 0.00 0.01 0.00 0.00 72.50 69.33 1hr0 s THR 63 CO 0.21 -0.12 1.45 -0.08 -0.69 0.00 0.00 174.62 175.39 1hr0 h GLU 64 N 1.93 -0.44 0.00 4.92 4.57 -1.96 -2.83 114.58 120.77 1hr0 h GLU 64 Ca -0.43 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1hr0 h GLU 64 Cb 1.25 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1hr0 h GLU 64 CO 0.75 -0.18 0.16 0.27 -1.18 0.00 0.00 179.01 178.83 1hr0 n ASN 65 N -5.21 0.00 -2.72 1.04 6.94 -1.26 -1.10 115.26 112.95 1hr0 n ASN 65 Ca -0.10 0.16 -0.21 0.00 -0.02 0.00 0.00 54.58 54.41 1hr0 n ASN 65 Cb 0.25 -0.16 -0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1hr0 n ASN 65 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1hr0 n MET 66 N -1.06 2.41 0.00 -3.83 0.00 -1.07 -4.96 117.12 108.61 1hr0 n MET 66 Ca 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 57.70 53.63 1hr0 n MET 66 Cb 0.16 -1.89 0.00 0.00 0.00 0.00 0.00 33.22 31.49 1hr0 n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1hr0 n VAL 67 N -0.21 0.00 -0.12 3.17 0.31 -0.26 -4.38 118.33 116.84 1hr0 n VAL 67 Ca 0.27 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.69 1hr0 n VAL 67 Cb 0.65 -0.21 0.17 0.00 -0.91 0.00 0.00 33.84 33.54 1hr0 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hr0 n GLY 68 N 2.55 -0.35 3.19 2.92 0.00 -1.25 -3.48 105.19 108.77 1hr0 n GLY 68 Ca 0.00 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1hr0 n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hr0 n HIS 69 N -4.01 -2.64 -3.91 1.61 -0.00 -1.26 -4.32 115.22 100.69 1hr0 n HIS 69 Ca 0.12 0.20 -0.29 0.00 -0.00 0.00 0.00 57.72 57.75 1hr0 n HIS 69 Cb 0.40 -1.57 -0.12 0.00 -0.00 0.00 0.00 29.99 28.69 1hr0 n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1hr0 s LYS 70 N -2.82 2.36 0.00 -0.41 1.02 -1.26 -1.12 119.74 117.51 1hr0 s LYS 70 Ca 0.48 -3.17 0.00 0.00 0.02 0.00 0.00 55.97 53.31 1hr0 s LYS 70 Cb -0.13 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1hr0 s LYS 70 CO 0.72 -1.24 0.00 1.28 -0.92 0.00 0.00 175.35 175.19 1hr0 n LEU 71 N 2.27 0.00 -0.24 3.17 4.77 -1.24 -1.97 117.00 123.76 1hr0 n LEU 71 Ca 0.16 0.00 0.32 0.00 -0.03 0.00 0.00 56.01 56.46 1hr0 n LEU 71 Cb 0.34 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.14 1hr0 n LEU 71 CO 0.29 0.00 1.30 1.23 -1.33 0.00 0.00 177.39 178.88 1hr0 h GLY 72 N 0.00 0.00 1.86 -0.72 0.00 -1.81 0.83 103.07 103.24 1hr0 h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hr0 h GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1hr0 n GLU 73 N -3.92 0.03 -0.06 4.80 1.02 -0.83 -1.23 120.64 120.44 1hr0 n GLU 73 Ca 0.22 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.75 1hr0 n GLU 73 Cb 1.20 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 31.19 1hr0 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1hr0 n PHE 74 N -1.43 0.15 -3.78 -0.32 3.01 0.29 -4.78 117.46 110.60 1hr0 n PHE 74 Ca 0.02 -0.25 -0.29 0.00 1.01 0.00 0.00 57.45 57.93 1hr0 n PHE 74 Cb 0.06 -0.02 -0.13 0.00 -0.01 0.00 0.00 39.48 39.39 1hr0 n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hr0 s ALA 75 N -0.80 2.77 0.22 4.37 0.00 -0.37 -4.97 121.76 122.98 1hr0 s ALA 75 Ca 0.11 -3.05 -0.31 0.00 0.00 0.00 0.00 51.96 48.72 1hr0 s ALA 75 Cb 0.07 -1.99 -0.15 0.00 0.00 0.00 0.00 23.12 21.04 1hr0 s ALA 75 CO 0.09 -2.05 1.03 -0.35 0.00 0.00 0.00 175.76 174.49 1hr0 n PRO 76 N 2.98 1.10 0.01 0.00 -0.04 -1.26 -4.85 135.00 132.93 1hr0 n PRO 76 Ca 0.13 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.76 1hr0 n PRO 76 Cb 0.35 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 1hr0 n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hr0 h THR 77 N 2.23 0.78 -1.91 0.52 1.03 -1.89 -3.45 112.91 110.22 1hr0 h THR 77 Ca -0.40 -2.37 -0.59 0.00 -0.01 0.00 0.00 66.41 63.04 1hr0 h THR 77 Cb 1.35 2.56 -0.11 0.00 -1.07 0.00 0.00 68.15 70.89 1hr0 h THR 77 CO 0.65 0.81 -0.61 0.00 -0.01 0.00 0.00 175.52 176.35 1hr0 s ARG 78 N -2.53 2.08 0.01 0.00 1.70 -1.26 -4.92 118.95 114.02 1hr0 s ARG 78 Ca -0.21 -1.76 0.01 0.00 -0.47 0.00 0.00 55.73 53.30 1hr0 s ARG 78 Cb 0.06 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.48 1hr0 s ARG 78 CO 0.77 0.13 0.02 0.99 -1.08 0.00 0.00 175.30 176.13 1hr0 s THR 79 N -2.52 4.26 -0.09 4.99 2.01 -1.26 -5.12 115.64 117.91 1hr0 s THR 79 Ca 0.35 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1hr0 s THR 79 Cb 0.00 -2.93 0.07 0.00 0.01 0.00 0.00 72.50 69.66 1hr0 s THR 79 CO 0.19 0.34 0.71 -0.47 -0.69 0.00 0.00 174.62 174.70 1hr0 s TYR 80 N -1.13 -0.66 0.00 4.92 5.04 -1.26 -5.31 117.35 118.95 1hr0 s TYR 80 Ca 0.21 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1hr0 s TYR 80 Cb -0.12 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1hr0 s TYR 80 CO 0.12 -0.56 0.00 -2.13 -1.34 0.00 0.00 175.55 171.64