#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sp5 s GLN 2 N 0.00 3.10 -0.17 0.54 0.74 -1.26 -5.11 119.66 117.51 1sp5 s GLN 2 Ca 0.00 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1sp5 s GLN 2 Cb 0.00 -2.54 0.01 0.00 1.10 0.00 0.00 33.01 31.58 1sp5 s GLN 2 CO 0.00 -0.03 -0.17 0.42 -0.55 0.00 0.00 175.29 174.96 1sp5 s ILE 3 N 0.88 2.44 0.75 -2.34 1.01 -1.26 -5.12 121.20 117.57 1sp5 s ILE 3 Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1sp5 s ILE 3 Cb -0.15 -2.03 0.09 0.00 0.01 0.00 0.00 42.46 40.38 1sp5 s ILE 3 CO -0.02 0.52 1.07 0.42 0.00 0.00 0.00 174.94 176.92 1sp5 s THR 4 N 1.03 2.20 -0.18 2.92 -4.23 -1.26 -5.03 115.64 111.09 1sp5 s THR 4 Ca -0.01 -0.27 0.15 0.00 -1.18 0.00 0.00 61.69 60.38 1sp5 s THR 4 Cb -0.15 -2.94 0.41 0.00 1.34 0.00 0.00 72.50 71.17 1sp5 s THR 4 CO -0.05 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.50 1sp5 n LEU 5 N -3.06 3.10 0.19 4.79 4.77 -1.26 -4.62 117.00 120.92 1sp5 n LEU 5 Ca 0.10 -3.33 0.04 0.00 -0.03 0.00 0.00 56.01 52.79 1sp5 n LEU 5 Cb 0.60 -0.51 0.40 0.00 -2.33 0.00 0.00 43.42 41.58 1sp5 n LEU 5 CO 0.50 0.92 0.75 -0.50 -1.33 0.00 0.00 177.39 177.72 1sp5 h TRP 6 N 0.80 0.00 -2.09 -1.77 4.06 -2.06 -3.43 115.95 111.45 1sp5 h TRP 6 Ca 0.04 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.40 1sp5 h TRP 6 Cb 1.22 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.25 1sp5 h TRP 6 CO 0.43 0.34 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.34 1sp5 s GLN 7 N -4.14 1.77 0.28 0.49 1.11 -1.26 -5.10 119.66 112.81 1sp5 s GLN 7 Ca -0.02 -1.93 -0.30 0.00 0.01 0.00 0.00 55.36 53.11 1sp5 s GLN 7 Cb 0.14 -1.54 -0.12 0.00 -1.01 0.00 0.00 33.01 30.48 1sp5 s GLN 7 CO 0.71 0.08 1.63 1.03 0.01 0.00 0.00 175.29 178.74 1sp5 s ARG 8 N -3.66 4.12 -1.29 2.91 0.52 -1.26 -4.86 118.95 115.42 1sp5 s ARG 8 Ca 0.32 2.59 -0.17 0.00 -0.52 0.00 0.00 55.73 57.96 1sp5 s ARG 8 Cb 0.04 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1sp5 s ARG 8 CO 0.16 -0.67 2.07 -0.35 0.02 0.00 0.00 175.30 176.53 1sp5 n PRO 9 N 2.55 2.61 -3.31 3.54 -0.04 -1.26 -4.93 135.00 134.16 1sp5 n PRO 9 Ca 0.10 -2.58 -0.38 0.00 -0.04 0.00 0.00 63.50 60.60 1sp5 n PRO 9 Cb 0.37 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 1sp5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sp5 s LEU 10 N 2.82 4.24 0.34 1.53 1.43 -1.26 -1.22 118.68 126.56 1sp5 s LEU 10 Ca 0.51 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1sp5 s LEU 10 Cb 0.12 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 1sp5 s LEU 10 CO -0.01 -0.04 0.07 0.68 0.23 0.00 0.00 176.35 177.28 1sp5 s VAL 11 N 0.85 1.11 -0.04 -1.59 -7.23 0.58 -4.90 120.40 109.18 1sp5 s VAL 11 Ca 0.25 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.26 1sp5 s VAL 11 Cb -0.15 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1sp5 s VAL 11 CO 0.10 0.00 0.45 -0.89 -0.31 0.00 0.00 175.10 174.44 1sp5 s THR 12 N -3.28 5.06 0.27 5.32 2.01 -1.26 -0.80 115.64 122.96 1sp5 s THR 12 Ca 0.34 0.91 0.09 0.00 0.31 0.00 0.00 61.69 63.34 1sp5 s THR 12 Cb 0.08 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1sp5 s THR 12 CO 0.15 0.49 -0.12 0.27 -0.69 0.00 0.00 174.62 174.72 1sp5 s ILE 13 N -0.46 1.97 -0.08 1.82 -4.36 0.37 -2.09 121.20 118.38 1sp5 s ILE 13 Ca 0.25 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1sp5 s ILE 13 Cb -0.16 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.22 1sp5 s ILE 13 CO 0.13 -0.38 -0.09 -0.75 0.24 0.00 0.00 174.94 174.08 1sp5 s LYS 14 N -3.63 1.53 -0.06 0.37 2.20 0.08 -1.31 119.74 118.93 1sp5 s LYS 14 Ca 0.28 -0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1sp5 s LYS 14 Cb 0.00 -1.42 0.03 0.00 -1.51 0.00 0.00 37.83 34.93 1sp5 s LYS 14 CO 0.12 -0.11 0.13 -1.50 -0.36 0.00 0.00 175.35 173.64 1sp5 s ILE 15 N 1.13 -0.03 -1.49 5.43 2.07 -0.33 -1.11 121.20 126.87 1sp5 s ILE 15 Ca -0.06 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1sp5 s ILE 15 Cb -0.14 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.25 1sp5 s ILE 15 CO -0.02 0.05 0.46 0.61 -1.91 0.00 0.00 174.94 174.13 1sp5 n GLY 16 N 3.84 -0.51 3.12 1.50 0.00 -1.26 -0.84 105.19 111.04 1sp5 n GLY 16 Ca -0.22 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1sp5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sp5 n GLY 17 N -1.33 0.86 3.69 -0.02 0.00 -1.26 -5.01 105.19 102.12 1sp5 n GLY 17 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1sp5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sp5 s GLN 18 N -0.14 2.84 0.08 1.61 -0.21 -0.02 -5.10 119.66 118.71 1sp5 s GLN 18 Ca 0.00 -0.57 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 1sp5 s GLN 18 Cb 0.00 -2.70 -0.07 0.00 1.00 0.00 0.00 33.01 31.24 1sp5 s GLN 18 CO 0.00 0.64 0.55 -0.51 -2.12 0.00 0.00 175.29 173.85 1sp5 s LEU 19 N -1.44 4.49 0.06 2.90 1.43 -1.26 -1.19 118.68 123.67 1sp5 s LEU 19 Ca 0.19 1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 54.43 1sp5 s LEU 19 Cb -0.11 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1sp5 s LEU 19 CO 0.09 0.25 0.12 -0.54 0.23 0.00 0.00 176.35 176.49 1sp5 s LYS 20 N -1.27 0.72 -0.08 1.70 1.02 -0.42 -4.98 119.74 116.42 1sp5 s LYS 20 Ca 0.30 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 55.26 1sp5 s LYS 20 Cb -0.18 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1sp5 s LYS 20 CO 0.18 -0.20 0.20 -1.21 -0.92 0.00 0.00 175.35 173.40 1sp5 s GLU 21 N -3.52 3.53 0.03 1.68 0.41 -1.26 -0.48 118.70 119.08 1sp5 s GLU 21 Ca 0.03 -0.05 -0.09 0.00 -0.41 0.00 0.00 54.97 54.45 1sp5 s GLU 21 Cb 0.04 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1sp5 s GLU 21 CO -0.09 0.75 0.18 0.00 -0.49 0.00 0.00 175.26 175.62 1sp5 s ALA 22 N -1.08 -0.36 -0.23 5.21 0.00 0.02 -4.42 121.76 120.91 1sp5 s ALA 22 Ca 0.18 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1sp5 s ALA 22 Cb -0.13 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1sp5 s ALA 22 CO 0.07 -0.32 0.37 -1.17 0.00 0.00 0.00 175.76 174.71 1sp5 s LEU 23 N -1.89 4.11 -0.37 0.00 2.96 0.49 -0.31 118.68 123.66 1sp5 s LEU 23 Ca -0.08 0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 1sp5 s LEU 23 Cb -0.03 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1sp5 s LEU 23 CO -0.02 -0.10 1.47 -0.76 -1.32 0.00 0.00 176.35 175.62 1sp5 s LEU 24 N 1.53 3.63 -0.37 -0.68 1.43 -0.35 -0.78 118.68 123.08 1sp5 s LEU 24 Ca 0.17 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1sp5 s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1sp5 s LEU 24 CO 0.08 -1.41 0.08 -0.62 0.23 0.00 0.00 176.35 174.71 1sp5 s ASP 25 N 4.11 4.66 0.26 2.29 -1.08 -0.22 -4.79 116.67 121.90 1sp5 s ASP 25 Ca 0.64 -2.27 0.24 0.00 -0.52 0.00 0.00 52.55 50.63 1sp5 s ASP 25 Cb -0.16 -1.60 0.99 0.00 -1.46 0.00 0.00 42.92 40.69 1sp5 s ASP 25 CO 0.31 -0.36 1.72 0.35 0.52 0.00 0.00 175.17 177.71 1sp5 n THR 26 N 4.09 0.82 1.54 1.71 -2.24 -1.26 -1.98 114.28 116.97 1sp5 n THR 26 Ca 0.04 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 1sp5 n THR 26 Cb 0.40 -1.16 0.48 0.00 -2.10 0.00 0.00 70.33 67.95 1sp5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sp5 n GLY 27 N 0.00 -0.23 3.39 3.38 0.00 -1.26 -4.80 105.19 105.67 1sp5 n GLY 27 Ca 0.02 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1sp5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sp5 s ALA 28 N -1.89 2.83 0.26 4.61 0.00 -0.84 -4.98 121.76 121.75 1sp5 s ALA 28 Ca 0.32 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1sp5 s ALA 28 Cb 0.17 -1.55 0.33 0.00 0.00 0.00 0.00 23.12 22.07 1sp5 s ALA 28 CO 0.26 -0.06 1.75 -0.44 0.00 0.00 0.00 175.76 177.28 1sp5 h ASP 29 N 7.31 0.75 -2.96 0.00 3.32 -1.87 0.23 116.42 123.21 1sp5 h ASP 29 Ca -0.34 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 56.01 1sp5 h ASP 29 Cb 1.18 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 1sp5 h ASP 29 CO 0.60 0.83 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.55 1sp5 s ASP 30 N -6.66 2.64 -0.22 6.45 1.01 -1.26 -2.20 116.67 116.43 1sp5 s ASP 30 Ca -0.09 -1.44 -0.13 0.00 0.71 0.00 0.00 52.55 51.60 1sp5 s ASP 30 Cb 0.14 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 1sp5 s ASP 30 CO 0.81 -0.66 0.28 -0.89 0.21 0.00 0.00 175.17 174.93 1sp5 s THR 31 N -3.22 5.28 -0.13 -1.27 2.01 -1.26 -3.30 115.64 113.75 1sp5 s THR 31 Ca 0.33 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1sp5 s THR 31 Cb 0.08 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1sp5 s THR 31 CO 0.15 0.30 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 1sp5 s VAL 32 N 1.14 1.33 0.13 3.82 1.01 -0.60 -0.29 120.40 126.94 1sp5 s VAL 32 Ca 0.14 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1sp5 s VAL 32 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1sp5 s VAL 32 CO 0.06 0.42 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 1sp5 s LEU 33 N 1.54 3.11 0.74 3.92 1.43 0.93 -0.18 118.68 130.18 1sp5 s LEU 33 Ca 0.04 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1sp5 s LEU 33 Cb -0.13 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1sp5 s LEU 33 CO -0.09 0.14 1.15 -1.61 0.23 0.00 0.00 176.35 176.18 1sp5 s GLU 34 N -2.50 2.17 -0.07 1.70 2.02 -1.26 -1.92 118.70 118.84 1sp5 s GLU 34 Ca 0.24 1.54 -0.37 0.00 0.02 0.00 0.00 54.97 56.40 1sp5 s GLU 34 Cb -0.10 -1.86 -0.18 0.00 0.10 0.00 0.00 34.13 32.09 1sp5 s GLU 34 CO 0.15 -1.77 1.03 -1.91 0.02 0.00 0.00 175.26 172.79 1sp5 n GLU 35 N -2.98 0.00 -3.67 1.61 4.07 -1.26 -4.74 120.64 113.68 1sp5 n GLU 35 Ca 0.12 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.17 1sp5 n GLU 35 Cb 0.51 -1.34 -0.02 0.00 -0.06 0.00 0.00 31.44 30.53 1sp5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sp5 s MET 36 N 0.41 1.07 -0.13 5.31 0.23 -1.26 -5.07 119.30 119.85 1sp5 s MET 36 Ca 0.83 -0.54 -0.07 0.00 -1.03 0.00 0.00 55.69 54.89 1sp5 s MET 36 Cb -1.17 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 1sp5 s MET 36 CO 0.54 -0.49 0.10 -1.54 -2.03 0.00 0.00 175.02 171.61 1sp5 s SER 37 N -2.80 6.06 0.13 -1.18 1.04 -1.26 -5.09 113.70 110.60 1sp5 s SER 37 Ca 0.10 0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.92 1sp5 s SER 37 Cb -0.01 -1.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 1sp5 s SER 37 CO -0.01 0.34 -0.15 -0.76 0.98 0.00 0.00 173.24 173.63 1sp5 s LEU 38 N -0.63 2.41 0.74 2.42 1.43 -1.26 -5.03 118.68 118.76 1sp5 s LEU 38 Ca 0.12 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1sp5 s LEU 38 Cb -0.12 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.50 1sp5 s LEU 38 CO 0.02 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.41 1sp5 s PRO 39 N -2.68 2.56 1.25 1.29 0.04 -1.26 -4.94 135.00 131.26 1sp5 s PRO 39 Ca 0.11 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1sp5 s PRO 39 Cb -0.05 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1sp5 s PRO 39 CO 0.04 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1sp5 n GLY 40 N -1.70 -1.94 3.93 0.56 0.00 -1.26 -4.93 105.19 99.85 1sp5 n GLY 40 Ca 0.08 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1sp5 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sp5 s ARG 41 N 0.00 3.46 0.21 1.61 0.52 -1.26 -5.12 118.95 118.37 1sp5 s ARG 41 Ca 0.00 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.06 1sp5 s ARG 41 Cb 0.00 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 1sp5 s ARG 41 CO 0.00 0.03 -0.13 1.67 0.02 0.00 0.00 175.30 176.89 1sp5 s TRP 42 N -2.44 1.70 0.16 -0.53 1.48 -1.26 -4.63 118.94 113.42 1sp5 s TRP 42 Ca 0.42 -0.60 0.06 0.00 -1.06 0.00 0.00 56.10 54.93 1sp5 s TRP 42 Cb -0.10 -0.81 -0.04 0.00 -1.16 0.00 0.00 33.47 31.36 1sp5 s TRP 42 CO 0.38 0.33 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.88 1sp5 s LYS 43 N -3.66 1.15 0.43 3.25 -2.85 -0.50 -4.90 119.74 112.66 1sp5 s LYS 43 Ca 0.23 -1.40 -0.23 0.00 -1.00 0.00 0.00 55.97 53.57 1sp5 s LYS 43 Cb -0.00 -0.96 -0.08 0.00 -2.06 0.00 0.00 37.83 34.73 1sp5 s LYS 43 CO 0.07 0.17 1.09 -1.25 0.10 0.00 0.00 175.35 175.52 1sp5 s PRO 44 N -3.18 3.96 -0.16 1.78 0.04 -1.26 -0.07 135.00 136.10 1sp5 s PRO 44 Ca 0.15 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1sp5 s PRO 44 Cb -0.02 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.15 1sp5 s PRO 44 CO 0.04 -0.33 0.41 0.21 0.04 0.00 0.00 177.00 177.37 1sp5 s LYS 45 N -2.69 0.42 -0.15 4.56 2.47 -0.99 -4.82 119.74 118.54 1sp5 s LYS 45 Ca 0.61 0.71 -0.07 0.00 -1.56 0.00 0.00 55.97 55.66 1sp5 s LYS 45 Cb -0.23 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.16 1sp5 s LYS 45 CO 0.29 -0.12 0.09 -1.64 0.16 0.00 0.00 175.35 174.13 1sp5 s MET 46 N 0.99 3.72 0.10 4.03 -1.94 -1.26 -0.96 119.30 123.97 1sp5 s MET 46 Ca -0.06 -0.26 0.08 0.00 -1.71 0.00 0.00 55.69 53.74 1sp5 s MET 46 Cb -0.07 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1sp5 s MET 46 CO -0.08 0.50 -0.20 0.96 -0.01 0.00 0.00 175.02 176.18 1sp5 s ILE 47 N -0.25 1.66 -0.11 2.53 -4.36 -0.61 -4.98 121.20 115.09 1sp5 s ILE 47 Ca 0.09 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1sp5 s ILE 47 Cb -0.12 -1.51 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1sp5 s ILE 47 CO 0.01 -0.06 -0.14 -0.83 0.24 0.00 0.00 174.94 174.16 1sp5 s GLY 48 N -1.85 1.53 0.00 6.27 0.00 -1.26 -1.31 107.32 110.70 1sp5 s GLY 48 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1sp5 s GLY 48 CO 0.04 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.40 1sp5 n GLY 49 N 3.21 5.16 0.28 0.20 0.00 -0.30 -4.99 105.19 108.75 1sp5 n GLY 49 Ca -0.18 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 43.97 1sp5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sp5 h ILE 50 N 0.63 1.04 -0.34 -0.61 6.09 -2.02 -2.95 117.51 119.36 1sp5 h ILE 50 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1sp5 h ILE 50 Cb 0.00 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.09 1sp5 h ILE 50 CO 0.00 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 175.73 1sp5 n GLY 51 N -1.51 1.63 0.00 8.18 0.00 -1.26 -5.08 105.19 107.14 1sp5 n GLY 51 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sp5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sp5 n GLY 52 N 1.44 0.61 3.89 -0.02 0.00 -1.12 -5.09 105.19 104.91 1sp5 n GLY 52 Ca 0.18 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 1sp5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sp5 s PHE 53 N -1.01 3.56 0.13 1.61 0.40 -1.26 -1.15 117.98 120.26 1sp5 s PHE 53 Ca 0.00 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 1sp5 s PHE 53 Cb 0.00 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1sp5 s PHE 53 CO 0.00 0.61 -0.05 0.96 0.70 0.00 0.00 175.22 177.44 1sp5 s ILE 54 N -1.33 0.77 -0.18 0.64 -4.36 -0.42 -4.98 121.20 111.34 1sp5 s ILE 54 Ca 0.28 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1sp5 s ILE 54 Cb -0.13 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 1sp5 s ILE 54 CO 0.18 -0.72 0.17 -0.75 0.24 0.00 0.00 174.94 174.05 1sp5 s LYS 55 N -3.84 4.11 0.29 0.37 2.47 -1.26 -1.57 119.74 120.30 1sp5 s LYS 55 Ca 0.17 -0.13 0.02 0.00 -1.56 0.00 0.00 55.97 54.47 1sp5 s LYS 55 Cb 0.05 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.98 1sp5 s LYS 55 CO -0.01 0.35 0.09 0.14 0.16 0.00 0.00 175.35 176.08 1sp5 s VAL 56 N 0.18 0.79 -0.19 4.02 -7.23 -0.14 -4.80 120.40 113.05 1sp5 s VAL 56 Ca 0.11 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1sp5 s VAL 56 Cb -0.12 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 1sp5 s VAL 56 CO 0.00 0.00 0.12 -0.13 -0.31 0.00 0.00 175.10 174.78 1sp5 s ARG 57 N -3.96 4.05 -0.26 4.82 0.52 -0.28 -2.35 118.95 121.48 1sp5 s ARG 57 Ca 0.37 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 55.26 1sp5 s ARG 57 Cb 0.08 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1sp5 s ARG 57 CO 0.15 0.36 0.14 -1.14 0.02 0.00 0.00 175.30 174.83 1sp5 s GLN 58 N 0.16 3.83 -0.18 3.54 0.74 0.89 -0.96 119.66 127.69 1sp5 s GLN 58 Ca 0.08 -0.39 -0.02 0.00 0.05 0.00 0.00 55.36 55.09 1sp5 s GLN 58 Cb -0.11 -3.50 -0.01 0.00 1.10 0.00 0.00 33.01 30.48 1sp5 s GLN 58 CO -0.01 -0.17 -0.10 0.71 -0.55 0.00 0.00 175.29 175.18 1sp5 s TYR 59 N 1.65 2.88 0.20 1.67 1.51 -0.56 -1.41 117.35 123.30 1sp5 s TYR 59 Ca 0.07 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.25 1sp5 s TYR 59 Cb -0.15 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1sp5 s TYR 59 CO 0.07 -0.43 0.37 -0.51 -1.11 0.00 0.00 175.55 173.95 1sp5 s ASP 60 N 0.97 6.36 -1.24 2.29 1.01 -1.26 -0.98 116.67 123.81 1sp5 s ASP 60 Ca -0.01 0.31 -0.04 0.00 0.71 0.00 0.00 52.55 53.52 1sp5 s ASP 60 Cb -0.15 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1sp5 s ASP 60 CO -0.01 -0.04 0.75 1.67 0.21 0.00 0.00 175.17 177.76 1sp5 n GLN 61 N -0.79 -4.04 -3.89 8.23 7.27 -1.11 -4.89 117.38 118.15 1sp5 n GLN 61 Ca -0.06 0.63 -0.36 0.00 0.07 0.00 0.00 57.00 57.29 1sp5 n GLN 61 Cb 0.54 -5.11 -0.08 0.00 2.41 0.00 0.00 30.24 28.00 1sp5 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1sp5 s ILE 62 N -3.59 5.25 0.01 1.69 -1.09 -0.03 -4.72 121.20 118.72 1sp5 s ILE 62 Ca 0.14 0.12 -0.27 0.00 -2.23 0.00 0.00 60.65 58.41 1sp5 s ILE 62 Cb -0.04 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1sp5 s ILE 62 CO 0.81 0.53 0.86 -0.76 -1.23 0.00 0.00 174.94 175.15 1sp5 s LEU 63 N -0.32 4.40 -0.13 2.97 1.02 -1.26 -1.69 118.68 123.67 1sp5 s LEU 63 Ca 0.11 1.52 -0.11 0.00 0.02 0.00 0.00 54.13 55.67 1sp5 s LEU 63 Cb -0.12 -3.38 0.04 0.00 0.02 0.00 0.00 46.19 42.76 1sp5 s LEU 63 CO 0.01 -0.13 0.34 -0.51 0.02 0.00 0.00 176.35 176.08 1sp5 s ILE 64 N 0.55 -0.01 -0.14 -0.59 2.07 -0.68 -4.45 121.20 117.95 1sp5 s ILE 64 Ca 0.44 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.69 1sp5 s ILE 64 Cb -0.20 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1sp5 s ILE 64 CO 0.25 0.01 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.52 1sp5 s GLU 65 N 0.49 3.52 -0.22 3.50 2.12 -0.26 -1.03 118.70 126.83 1sp5 s GLU 65 Ca -0.03 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1sp5 s GLU 65 Cb -0.04 -2.81 0.04 0.00 0.26 0.00 0.00 34.13 31.58 1sp5 s GLU 65 CO -0.03 0.27 -0.15 0.42 -0.54 0.00 0.00 175.26 175.23 1sp5 s ILE 66 N 0.27 2.09 -1.65 -3.70 1.01 0.80 -0.74 121.20 119.26 1sp5 s ILE 66 Ca -0.05 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.16 1sp5 s ILE 66 Cb -0.14 -2.06 0.13 0.00 0.01 0.00 0.00 42.46 40.40 1sp5 s ILE 66 CO 0.04 0.24 0.72 0.00 0.00 0.00 0.00 174.94 175.93 1sp5 n GLY 68 N -1.52 1.08 3.59 0.00 0.00 -1.26 -5.04 105.19 102.05 1sp5 n GLY 68 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sp5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sp5 s HIS 69 N -3.11 3.16 0.17 1.61 4.02 0.27 -5.09 115.29 116.32 1sp5 s HIS 69 Ca 0.00 -0.04 -0.22 0.00 1.02 0.00 0.00 55.06 55.82 1sp5 s HIS 69 Cb 0.00 -1.99 -0.08 0.00 -1.02 0.00 0.00 32.58 29.49 1sp5 s HIS 69 CO 0.00 0.14 0.71 0.15 1.02 0.00 0.00 174.74 176.76 1sp5 s LYS 70 N 0.17 4.38 0.03 1.40 1.02 -1.26 -0.14 119.74 125.33 1sp5 s LYS 70 Ca 0.02 0.97 -0.00 0.00 0.02 0.00 0.00 55.97 56.97 1sp5 s LYS 70 Cb -0.13 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1sp5 s LYS 70 CO 0.02 0.52 -0.03 0.00 -0.92 0.00 0.00 175.35 174.93 1sp5 s ALA 71 N -1.28 0.28 -0.13 5.17 0.00 -0.19 -4.79 121.76 120.83 1sp5 s ALA 71 Ca 0.37 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1sp5 s ALA 71 Cb -0.20 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1sp5 s ALA 71 CO 0.23 -0.22 0.10 0.42 0.00 0.00 0.00 175.76 176.29 1sp5 s ILE 72 N -2.27 -0.13 0.00 0.00 1.01 -1.26 -1.68 121.20 116.86 1sp5 s ILE 72 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1sp5 s ILE 72 Cb -0.04 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1sp5 s ILE 72 CO -0.04 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1sp5 n GLY 73 N 5.29 1.55 3.73 6.18 0.00 -0.68 -4.78 105.19 116.49 1sp5 n GLY 73 Ca -0.05 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1sp5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sp5 s THR 74 N -2.43 3.90 -0.07 2.61 2.01 -1.26 -0.85 115.64 119.54 1sp5 s THR 74 Ca 0.00 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.54 1sp5 s THR 74 Cb 0.00 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1sp5 s THR 74 CO 0.00 0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.32 1sp5 s VAL 75 N 0.26 1.16 -0.03 3.82 1.01 -0.15 -4.51 120.40 121.97 1sp5 s VAL 75 Ca 0.53 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1sp5 s VAL 75 Cb -0.30 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1sp5 s VAL 75 CO 0.33 0.36 0.15 -0.76 0.00 0.00 0.00 175.10 175.18 1sp5 s LEU 76 N 0.75 4.24 -0.10 3.92 1.43 0.61 -1.50 118.68 128.04 1sp5 s LEU 76 Ca -0.13 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1sp5 s LEU 76 Cb -0.16 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1sp5 s LEU 76 CO 0.03 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.05 1sp5 s VAL 77 N -1.24 1.49 -0.02 -1.59 1.01 -0.13 -0.05 120.40 119.88 1sp5 s VAL 77 Ca 0.24 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1sp5 s VAL 77 Cb -0.12 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1sp5 s VAL 77 CO 0.15 0.44 0.35 0.61 0.00 0.00 0.00 175.10 176.65 1sp5 n GLY 78 N 4.04 0.41 3.55 4.51 0.00 -0.81 -1.12 105.19 115.78 1sp5 n GLY 78 Ca -0.20 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 1sp5 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sp5 s PRO 79 N -2.00 2.79 -0.00 1.61 0.04 -1.26 -3.98 135.00 132.20 1sp5 s PRO 79 Ca 0.08 0.45 0.05 0.00 0.04 0.00 0.00 61.00 61.62 1sp5 s PRO 79 Cb -0.00 -4.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.20 1sp5 s PRO 79 CO -0.00 -2.55 -0.15 -0.08 0.04 0.00 0.00 177.00 174.25 1sp5 s THR 80 N 8.19 1.19 0.58 1.26 -1.32 -1.26 -5.02 115.64 119.26 1sp5 s THR 80 Ca 0.60 -0.70 0.28 0.00 -1.21 0.00 0.00 61.69 60.66 1sp5 s THR 80 Cb -0.12 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.22 1sp5 s THR 80 CO 0.20 0.29 2.15 1.55 -2.21 0.00 0.00 174.62 176.60 1sp5 h PRO 81 N 5.64 0.00 -3.03 7.08 0.13 -1.98 -3.44 132.00 136.39 1sp5 h PRO 81 Ca -0.36 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1sp5 h PRO 81 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1sp5 h PRO 81 CO 0.48 0.00 0.06 0.54 -0.23 0.00 0.00 178.00 178.85 1sp5 s VAL 82 N -4.69 0.03 0.13 1.56 0.11 -1.26 -5.13 120.40 111.15 1sp5 s VAL 82 Ca -0.05 -0.27 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 1sp5 s VAL 82 Cb 0.16 -1.05 -0.09 0.00 -1.53 0.00 0.00 36.38 33.87 1sp5 s VAL 82 CO 0.57 -0.15 1.44 0.20 -3.33 0.00 0.00 175.10 173.83 1sp5 s ASN 83 N -2.48 6.75 -0.14 3.54 0.01 -1.26 -4.75 114.94 116.60 1sp5 s ASN 83 Ca -0.01 2.42 0.02 0.00 -0.71 0.00 0.00 52.86 54.58 1sp5 s ASN 83 Cb 0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1sp5 s ASN 83 CO -0.09 -0.70 -0.20 -0.63 -1.51 0.00 0.00 177.10 173.97 1sp5 s ILE 84 N 1.08 2.28 -0.36 0.60 1.01 0.75 -0.38 121.20 126.18 1sp5 s ILE 84 Ca 0.66 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1sp5 s ILE 84 Cb -0.39 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1sp5 s ILE 84 CO 0.31 0.54 0.28 -0.63 0.00 0.00 0.00 174.94 175.44 1sp5 s ILE 85 N 0.80 5.25 0.54 2.92 -1.09 0.04 -1.55 121.20 128.11 1sp5 s ILE 85 Ca -0.07 -0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1sp5 s ILE 85 Cb -0.16 -3.79 0.10 0.00 -1.58 0.00 0.00 42.46 37.03 1sp5 s ILE 85 CO -0.01 -0.10 0.75 0.61 -1.23 0.00 0.00 174.94 174.96 1sp5 n GLY 86 N 5.09 1.44 0.32 6.18 0.00 -1.21 -1.06 105.19 115.96 1sp5 n GLY 86 Ca -0.11 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 43.92 1sp5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sp5 h ARG 87 N 0.00 0.00 -0.66 1.61 3.08 -0.52 -0.75 114.38 117.14 1sp5 h ARG 87 Ca -0.25 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.84 1sp5 h ARG 87 Cb 1.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 1sp5 h ARG 87 CO 0.32 0.00 0.44 -2.95 -1.07 0.00 0.00 179.97 176.70 1sp5 h ASN 88 N 0.00 0.66 0.07 7.04 -1.07 -1.70 -1.23 115.58 119.35 1sp5 h ASN 88 Ca 0.11 -0.01 -0.26 0.00 0.07 0.00 0.00 56.30 56.22 1sp5 h ASN 88 Cb 0.47 -0.15 -0.05 0.00 -2.07 0.00 0.00 38.32 36.52 1sp5 h ASN 88 CO -0.00 0.45 -2.19 0.18 0.07 0.00 0.00 177.43 175.94 1sp5 n LEU 89 N -4.46 0.09 -0.12 6.14 4.77 -0.81 -3.89 117.00 118.72 1sp5 n LEU 89 Ca 0.08 0.04 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1sp5 n LEU 89 Cb 0.15 0.33 0.26 0.00 -2.33 0.00 0.00 43.42 41.83 1sp5 n LEU 89 CO 0.35 0.34 1.10 -0.07 -1.33 0.00 0.00 177.39 177.77 1sp5 h LEU 90 N 0.00 0.72 -0.75 2.23 3.38 -0.95 -1.76 115.31 118.18 1sp5 h LEU 90 Ca -0.37 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1sp5 h LEU 90 Cb 1.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1sp5 h LEU 90 CO 0.02 0.62 -0.34 0.71 0.09 0.00 0.00 178.44 179.55 1sp5 h THR 91 N 0.80 1.29 0.00 0.22 1.35 -1.40 -1.32 112.91 113.85 1sp5 h THR 91 Ca 0.20 -1.45 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 1sp5 h THR 91 Cb 0.09 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1sp5 h THR 91 CO -0.03 0.46 -0.16 1.56 -0.25 0.00 0.00 175.52 177.10 1sp5 h GLN 92 N 0.48 0.00 -0.43 4.72 4.20 -1.44 -2.19 115.11 120.45 1sp5 h GLN 92 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1sp5 h GLN 92 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1sp5 h GLN 92 CO 0.07 0.16 0.00 0.44 -0.67 0.00 0.00 178.83 178.83 1sp5 n ILE 93 N -4.30 0.56 -1.86 2.54 -5.35 -1.01 -4.95 119.36 104.99 1sp5 n ILE 93 Ca -0.02 -0.68 -0.05 0.00 -0.27 0.00 0.00 62.75 61.73 1sp5 n ILE 93 Cb 0.23 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.72 1sp5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sp5 n GLY 94 N 1.40 0.31 3.74 3.28 0.00 -0.82 -5.02 105.19 108.07 1sp5 n GLY 94 Ca 0.19 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1sp5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sp5 s THR 96 N -0.58 0.47 -0.11 0.00 -4.23 -1.26 -4.70 115.64 105.23 1sp5 s THR 96 Ca 0.45 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1sp5 s THR 96 Cb -0.26 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1sp5 s THR 96 CO 0.32 -0.64 0.09 -0.76 -0.54 0.00 0.00 174.62 173.09 1sp5 s LEU 97 N -3.07 4.09 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.54 1sp5 s LEU 97 Ca 0.19 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1sp5 s LEU 97 Cb 0.07 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1sp5 s LEU 97 CO -0.01 0.39 0.02 0.20 0.23 0.00 0.00 176.35 177.18 1sp5 s ASN 98 N -0.90 -0.01 0.00 2.29 0.01 -1.26 -5.29 114.94 109.77 1sp5 s ASN 98 Ca 0.14 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1sp5 s ASN 98 Cb -0.12 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.57 1sp5 s ASN 98 CO 0.03 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.81