#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g35 s GLN 2 N 0.00 3.06 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.42 1g35 s GLN 2 Ca 0.00 -0.80 -0.05 0.00 0.05 0.00 0.00 55.36 54.56 1g35 s GLN 2 Cb 0.00 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1g35 s GLN 2 CO 0.00 -0.18 0.00 0.42 -0.55 0.00 0.00 175.29 174.98 1g35 s ILE 3 N 1.25 3.88 0.69 -2.34 1.01 -1.26 -5.10 121.20 119.33 1g35 s ILE 3 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1g35 s ILE 3 Cb -0.14 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.60 1g35 s ILE 3 CO -0.10 0.41 1.03 0.42 0.00 0.00 0.00 174.94 176.70 1g35 s THR 4 N 1.25 2.92 -0.19 2.92 -4.23 -1.26 -5.02 115.64 112.03 1g35 s THR 4 Ca 0.04 0.05 0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1g35 s THR 4 Cb -0.15 -3.25 0.49 0.00 1.34 0.00 0.00 72.50 70.93 1g35 s THR 4 CO 0.01 -0.29 1.39 0.18 -0.54 0.00 0.00 174.62 175.36 1g35 n LEU 5 N -2.92 3.68 0.25 4.79 4.77 -1.26 -4.57 117.00 121.74 1g35 n LEU 5 Ca 0.07 -3.19 0.12 0.00 -0.03 0.00 0.00 56.01 52.97 1g35 n LEU 5 Cb 0.59 -0.55 0.65 0.00 -2.33 0.00 0.00 43.42 41.78 1g35 n LEU 5 CO 0.55 0.81 0.92 -0.50 -1.33 0.00 0.00 177.39 177.83 1g35 h TRP 6 N 1.34 0.00 -3.09 -1.77 4.06 -2.06 -3.43 115.95 110.99 1g35 h TRP 6 Ca 0.05 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.57 1g35 h TRP 6 Cb 1.42 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.44 1g35 h TRP 6 CO 0.53 0.16 -0.65 1.14 -3.56 0.00 0.00 178.44 176.06 1g35 s GLN 7 N -4.05 1.46 0.32 0.49 -2.07 -1.26 -5.11 119.66 109.43 1g35 s GLN 7 Ca -0.02 -1.76 -0.29 0.00 -1.82 0.00 0.00 55.36 51.46 1g35 s GLN 7 Cb 0.12 -0.76 -0.11 0.00 -1.09 0.00 0.00 33.01 31.17 1g35 s GLN 7 CO 0.60 -0.11 1.56 1.03 -1.32 0.00 0.00 175.29 177.05 1g35 s ARG 8 N -3.86 4.12 -1.27 9.60 0.52 -1.26 -4.86 118.95 121.94 1g35 s ARG 8 Ca 0.31 2.57 -0.16 0.00 -0.52 0.00 0.00 55.73 57.93 1g35 s ARG 8 Cb 0.06 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1g35 s ARG 8 CO 0.11 -0.59 2.13 -0.35 0.02 0.00 0.00 175.30 176.62 1g35 n PRO 9 N 1.64 2.50 -3.26 3.54 -0.04 -1.26 -4.93 135.00 133.19 1g35 n PRO 9 Ca 0.06 -2.43 -0.39 0.00 -0.04 0.00 0.00 63.50 60.71 1g35 n PRO 9 Cb 0.38 -3.21 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 1g35 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g35 s LEU 10 N 2.12 4.42 0.16 1.53 1.43 -1.26 -1.57 118.68 125.51 1g35 s LEU 10 Ca 0.50 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1g35 s LEU 10 Cb 0.14 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1g35 s LEU 10 CO -0.03 0.14 0.01 0.68 0.23 0.00 0.00 176.35 177.38 1g35 s VAL 11 N -0.31 0.56 -0.10 -1.59 -7.23 0.00 -4.95 120.40 106.78 1g35 s VAL 11 Ca 0.29 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 1g35 s VAL 11 Cb -0.18 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1g35 s VAL 11 CO 0.16 -0.48 0.37 -0.89 -0.31 0.00 0.00 175.10 173.95 1g35 s THR 12 N -3.74 5.21 0.26 5.32 2.01 -1.26 -0.77 115.64 122.66 1g35 s THR 12 Ca 0.24 0.73 0.11 0.00 0.31 0.00 0.00 61.69 63.08 1g35 s THR 12 Cb 0.06 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1g35 s THR 12 CO 0.03 0.44 -0.20 0.27 -0.69 0.00 0.00 174.62 174.47 1g35 s ILE 13 N -0.00 2.38 -0.12 1.82 -4.36 0.45 -2.28 121.20 119.09 1g35 s ILE 13 Ca 0.21 -2.33 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 1g35 s ILE 13 Cb -0.15 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.34 1g35 s ILE 13 CO 0.08 -0.37 -0.16 -0.75 0.24 0.00 0.00 174.94 173.98 1g35 s LYS 14 N -3.38 2.36 -0.11 0.37 2.20 0.19 -1.18 119.74 120.18 1g35 s LYS 14 Ca 0.28 -0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 55.21 1g35 s LYS 14 Cb -0.05 -2.00 0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1g35 s LYS 14 CO 0.13 -0.07 0.28 -1.50 -0.36 0.00 0.00 175.35 173.83 1g35 s ILE 15 N 1.01 -0.03 -1.66 5.43 2.07 -0.30 -1.09 121.20 126.64 1g35 s ILE 15 Ca -0.05 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1g35 s ILE 15 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1g35 s ILE 15 CO -0.03 0.04 0.34 0.61 -1.91 0.00 0.00 174.94 174.00 1g35 n GLY 16 N 3.83 -0.51 2.83 1.50 0.00 -1.26 -1.49 105.19 110.08 1g35 n GLY 16 Ca -0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1g35 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g35 n GLY 17 N -1.30 0.55 3.45 -0.02 0.00 -1.26 -5.01 105.19 101.60 1g35 n GLY 17 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1g35 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g35 s GLN 18 N -0.41 1.78 -0.03 1.61 -0.21 -0.56 -5.12 119.66 116.73 1g35 s GLN 18 Ca 0.00 -1.16 -0.17 0.00 0.02 0.00 0.00 55.36 54.05 1g35 s GLN 18 Cb 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1g35 s GLN 18 CO 0.00 0.49 0.48 -0.51 -2.12 0.00 0.00 175.29 173.63 1g35 s LEU 19 N -1.85 4.41 0.10 2.90 1.43 -1.26 -1.15 118.68 123.26 1g35 s LEU 19 Ca 0.16 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1g35 s LEU 19 Cb -0.10 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1g35 s LEU 19 CO 0.07 0.18 0.12 -0.54 0.23 0.00 0.00 176.35 176.41 1g35 s LYS 20 N -0.42 0.87 -0.12 1.70 1.02 -0.33 -4.98 119.74 117.49 1g35 s LYS 20 Ca 0.26 -1.19 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 1g35 s LYS 20 Cb -0.17 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1g35 s LYS 20 CO 0.14 -0.26 0.13 -1.21 -0.92 0.00 0.00 175.35 173.23 1g35 s GLU 21 N -3.95 3.42 0.04 1.68 2.02 -1.26 -0.41 118.70 120.24 1g35 s GLU 21 Ca 0.13 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 1g35 s GLU 21 Cb 0.06 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1g35 s GLU 21 CO -0.05 0.78 0.02 0.00 0.02 0.00 0.00 175.26 176.02 1g35 s ALA 22 N -1.02 0.24 -0.22 5.21 0.00 0.05 -4.43 121.76 121.59 1g35 s ALA 22 Ca 0.15 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1g35 s ALA 22 Cb -0.12 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1g35 s ALA 22 CO 0.04 -0.33 0.11 -1.17 0.00 0.00 0.00 175.76 174.41 1g35 s LEU 23 N -2.45 3.92 -0.39 0.00 2.96 0.42 -0.82 118.68 122.33 1g35 s LEU 23 Ca -0.00 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 1g35 s LEU 23 Cb 0.02 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1g35 s LEU 23 CO -0.07 0.10 1.29 -0.76 -1.32 0.00 0.00 176.35 175.59 1g35 s LEU 24 N 0.84 3.71 -0.32 -0.68 1.43 -0.61 -0.59 118.68 122.46 1g35 s LEU 24 Ca 0.06 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1g35 s LEU 24 Cb -0.13 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.64 1g35 s LEU 24 CO 0.03 -1.25 0.02 -0.62 0.23 0.00 0.00 176.35 174.76 1g35 s ASP 25 N 3.08 4.67 0.28 2.29 -1.08 -0.42 -4.80 116.67 120.68 1g35 s ASP 25 Ca 0.55 -1.98 0.25 0.00 -0.52 0.00 0.00 52.55 50.85 1g35 s ASP 25 Cb -0.13 -1.58 0.96 0.00 -1.46 0.00 0.00 42.92 40.72 1g35 s ASP 25 CO 0.28 -0.34 1.75 0.71 0.52 0.00 0.00 175.17 178.09 1g35 h THR 26 N 6.64 0.00 -0.00 1.71 1.35 -1.93 -2.76 112.91 117.91 1g35 h THR 26 Ca -0.07 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1g35 h THR 26 Cb 1.02 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1g35 h THR 26 CO 0.51 0.00 -0.19 0.61 -0.25 0.00 0.00 175.52 176.19 1g35 n GLY 27 N 0.33 -1.04 3.67 5.82 0.00 -1.26 -4.81 105.19 107.90 1g35 n GLY 27 Ca 0.03 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1g35 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g35 s ALA 28 N -2.66 3.62 0.17 4.61 0.00 -1.04 -4.98 121.76 121.48 1g35 s ALA 28 Ca 0.22 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1g35 s ALA 28 Cb 0.19 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 21.04 1g35 s ALA 28 CO 0.53 -0.15 1.47 -0.44 0.00 0.00 0.00 175.76 177.17 1g35 h ASP 29 N 7.39 0.73 -1.46 0.00 3.32 -1.87 0.36 116.42 124.89 1g35 h ASP 29 Ca -0.38 -0.39 -0.62 0.00 0.02 0.00 0.00 57.03 55.65 1g35 h ASP 29 Cb 1.17 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.39 1g35 h ASP 29 CO 0.67 1.13 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.95 1g35 s ASP 30 N -6.94 4.02 -0.22 6.45 1.01 -1.26 -2.44 116.67 117.30 1g35 s ASP 30 Ca -0.08 -1.36 -0.10 0.00 0.71 0.00 0.00 52.55 51.72 1g35 s ASP 30 Cb 0.11 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.71 1g35 s ASP 30 CO 0.86 -0.53 0.14 -0.89 0.21 0.00 0.00 175.17 174.96 1g35 s THR 31 N -2.71 5.39 -0.10 -1.27 2.01 -1.26 -3.37 115.64 114.32 1g35 s THR 31 Ca 0.32 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1g35 s THR 31 Cb 0.08 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1g35 s THR 31 CO 0.17 0.40 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 1g35 s VAL 32 N 0.63 1.17 0.21 3.82 1.01 -0.49 -1.06 120.40 125.70 1g35 s VAL 32 Ca 0.08 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1g35 s VAL 32 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1g35 s VAL 32 CO 0.01 0.38 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 1g35 s LEU 33 N 1.17 2.94 0.73 3.92 1.43 0.91 -0.73 118.68 129.05 1g35 s LEU 33 Ca -0.05 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1g35 s LEU 33 Cb -0.14 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.55 1g35 s LEU 33 CO -0.03 0.08 1.17 -1.61 0.23 0.00 0.00 176.35 176.19 1g35 s GLU 34 N -3.07 2.19 -0.08 1.70 2.02 -1.26 -1.83 118.70 118.37 1g35 s GLU 34 Ca 0.26 1.62 -0.40 0.00 0.02 0.00 0.00 54.97 56.47 1g35 s GLU 34 Cb -0.08 -1.85 -0.19 0.00 0.10 0.00 0.00 34.13 32.11 1g35 s GLU 34 CO 0.16 -1.77 1.26 -1.91 0.02 0.00 0.00 175.26 173.02 1g35 n GLU 35 N -2.84 0.35 -3.81 1.61 4.07 -1.25 -4.72 120.64 114.06 1g35 n GLU 35 Ca 0.12 0.13 -0.05 0.00 -0.06 0.00 0.00 57.16 57.30 1g35 n GLU 35 Cb 0.51 -1.68 -0.01 0.00 -0.06 0.00 0.00 31.44 30.20 1g35 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g35 s MET 36 N 0.83 1.50 -0.23 5.31 0.23 -1.26 -5.07 119.30 120.60 1g35 s MET 36 Ca 0.92 -0.86 -0.10 0.00 -1.03 0.00 0.00 55.69 54.62 1g35 s MET 36 Cb -1.22 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 32.53 1g35 s MET 36 CO 0.59 -0.69 0.15 0.45 -2.03 0.00 0.00 175.02 173.49 1g35 s SER 37 N -2.99 6.13 0.17 -1.18 0.15 -1.26 -5.08 113.70 109.63 1g35 s SER 37 Ca 0.13 0.14 0.08 0.00 0.70 0.00 0.00 55.95 57.00 1g35 s SER 37 Cb -0.03 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1g35 s SER 37 CO 0.05 0.09 -0.17 -0.76 1.20 0.00 0.00 173.24 173.66 1g35 s LEU 38 N 0.88 2.46 0.66 3.45 1.43 -1.26 -5.01 118.68 121.29 1g35 s LEU 38 Ca 0.08 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 1g35 s LEU 38 Cb -0.13 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 1g35 s LEU 38 CO 0.03 -0.08 1.05 -2.16 0.23 0.00 0.00 176.35 175.42 1g35 s PRO 39 N -2.97 3.24 1.11 1.29 0.04 -1.26 -4.97 135.00 131.48 1g35 s PRO 39 Ca 0.16 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1g35 s PRO 39 Cb -0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1g35 s PRO 39 CO 0.06 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1g35 n GLY 40 N -2.52 -1.95 3.92 0.56 0.00 -1.26 -4.93 105.19 99.01 1g35 n GLY 40 Ca 0.07 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1g35 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g35 s ARG 41 N 0.00 3.56 0.24 1.61 0.52 -1.26 -5.11 118.95 118.51 1g35 s ARG 41 Ca 0.00 -0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.11 1g35 s ARG 41 Cb 0.00 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1g35 s ARG 41 CO 0.00 0.26 -0.13 1.67 0.02 0.00 0.00 175.30 177.12 1g35 s TRP 42 N -2.06 1.90 0.20 -0.53 1.48 -1.26 -4.65 118.94 114.02 1g35 s TRP 42 Ca 0.41 -0.55 0.09 0.00 -1.06 0.00 0.00 56.10 54.99 1g35 s TRP 42 Cb -0.11 -0.92 -0.04 0.00 -1.16 0.00 0.00 33.47 31.24 1g35 s TRP 42 CO 0.31 0.42 -0.17 0.15 -4.06 0.00 0.00 176.95 173.60 1g35 s LYS 43 N -3.64 1.36 0.39 3.25 1.02 -0.59 -4.90 119.74 116.64 1g35 s LYS 43 Ca 0.26 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.54 1g35 s LYS 43 Cb -0.00 -1.33 -0.10 0.00 -0.52 0.00 0.00 37.83 35.88 1g35 s LYS 43 CO 0.10 0.25 0.86 -1.25 -0.92 0.00 0.00 175.35 174.39 1g35 s PRO 44 N -3.21 4.09 -0.11 -1.68 0.04 -1.26 -0.46 135.00 132.40 1g35 s PRO 44 Ca 0.20 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 1g35 s PRO 44 Cb -0.04 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1g35 s PRO 44 CO 0.08 0.02 0.58 0.21 0.04 0.00 0.00 177.00 177.93 1g35 s LYS 45 N -3.21 0.85 -0.14 4.56 2.20 -1.11 -4.87 119.74 118.02 1g35 s LYS 45 Ca 0.58 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.57 1g35 s LYS 45 Cb -0.10 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1g35 s LYS 45 CO 0.17 -0.21 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.23 1g35 s MET 46 N -0.63 3.51 0.09 4.03 -1.94 -1.26 -1.39 119.30 121.70 1g35 s MET 46 Ca -0.07 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.37 1g35 s MET 46 Cb -0.03 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1g35 s MET 46 CO 0.05 0.23 -0.19 0.96 -0.01 0.00 0.00 175.02 176.06 1g35 s ILE 47 N 0.34 1.56 -0.08 2.53 -4.36 -0.92 -4.96 121.20 115.30 1g35 s ILE 47 Ca -0.08 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1g35 s ILE 47 Cb -0.15 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 1g35 s ILE 47 CO 0.04 -0.07 -0.11 -0.83 0.24 0.00 0.00 174.94 174.22 1g35 s GLY 48 N -1.77 1.60 0.00 6.27 0.00 -1.26 -1.41 107.32 110.75 1g35 s GLY 48 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1g35 s GLY 48 CO 0.03 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.20 1g35 n GLY 49 N 2.65 5.25 0.23 0.20 0.00 0.65 -4.99 105.19 109.20 1g35 n GLY 49 Ca -0.18 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.71 1g35 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1g35 h ILE 50 N 0.67 1.19 -0.00 -0.61 2.10 -2.04 -3.08 117.51 115.73 1g35 h ILE 50 Ca 0.00 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 65.10 1g35 h ILE 50 Cb 0.00 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1g35 h ILE 50 CO 0.00 0.26 -0.52 0.61 -1.08 0.00 0.00 178.15 177.42 1g35 n GLY 51 N -0.82 -0.97 0.00 8.18 0.00 -1.26 -5.06 105.19 105.25 1g35 n GLY 51 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1g35 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g35 n GLY 52 N 1.46 0.77 3.72 -0.02 0.00 -1.17 -5.12 105.19 104.84 1g35 n GLY 52 Ca 0.07 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1g35 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g35 s PHE 53 N -2.98 3.02 0.08 1.61 0.40 -1.26 -0.25 117.98 118.60 1g35 s PHE 53 Ca 0.00 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1g35 s PHE 53 Cb 0.00 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1g35 s PHE 53 CO 0.00 0.51 -0.06 0.96 0.70 0.00 0.00 175.22 177.33 1g35 s ILE 54 N -1.57 0.55 -0.11 0.64 -4.36 -0.50 -4.97 121.20 110.88 1g35 s ILE 54 Ca 0.28 -1.71 -0.14 0.00 -0.26 0.00 0.00 60.65 58.82 1g35 s ILE 54 Cb -0.11 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 1g35 s ILE 54 CO 0.20 -0.79 0.32 -0.54 0.24 0.00 0.00 174.94 174.37 1g35 s LYS 55 N -3.34 4.08 0.25 0.37 1.02 -1.26 -2.16 119.74 118.70 1g35 s LYS 55 Ca 0.06 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.25 1g35 s LYS 55 Cb 0.02 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1g35 s LYS 55 CO -0.05 0.41 0.06 0.14 -0.92 0.00 0.00 175.35 174.99 1g35 s VAL 56 N -0.10 0.78 -0.19 3.17 -7.23 -0.49 -4.70 120.40 111.64 1g35 s VAL 56 Ca 0.19 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1g35 s VAL 56 Cb -0.14 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1g35 s VAL 56 CO 0.07 -0.14 0.07 -0.13 -0.31 0.00 0.00 175.10 174.66 1g35 s ARG 57 N -3.96 3.97 -0.26 4.82 0.52 -0.25 -2.74 118.95 121.06 1g35 s ARG 57 Ca 0.34 -0.34 -0.09 0.00 -0.52 0.00 0.00 55.73 55.11 1g35 s ARG 57 Cb 0.07 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1g35 s ARG 57 CO 0.12 0.24 0.13 -1.14 0.02 0.00 0.00 175.30 174.67 1g35 s GLN 58 N 0.47 3.85 -0.09 3.54 0.74 0.39 -0.57 119.66 127.99 1g35 s GLN 58 Ca 0.03 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.08 1g35 s GLN 58 Cb -0.13 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 1g35 s GLN 58 CO 0.01 -0.13 -0.13 0.71 -0.55 0.00 0.00 175.29 175.20 1g35 s TYR 59 N 1.54 2.78 0.26 1.67 1.51 -0.06 -1.53 117.35 123.52 1g35 s TYR 59 Ca 0.06 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1g35 s TYR 59 Cb -0.15 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1g35 s TYR 59 CO 0.07 0.02 0.19 -0.51 -1.11 0.00 0.00 175.55 174.21 1g35 s ASP 60 N -0.23 5.44 -1.40 2.29 1.01 -1.26 -0.77 116.67 121.74 1g35 s ASP 60 Ca 0.01 -0.29 -0.01 0.00 0.71 0.00 0.00 52.55 52.98 1g35 s ASP 60 Cb -0.13 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1g35 s ASP 60 CO 0.03 -0.05 0.46 0.00 0.21 0.00 0.00 175.17 175.82 1g35 n GLN 61 N -1.17 -3.52 -3.58 8.23 6.02 -1.17 -4.91 117.38 117.28 1g35 n GLN 61 Ca -0.07 0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 56.98 1g35 n GLN 61 Cb 0.58 -4.63 -0.07 0.00 1.02 0.00 0.00 30.24 27.14 1g35 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g35 s ILE 62 N -3.90 5.29 0.01 5.09 -1.09 -0.11 -4.75 121.20 121.74 1g35 s ILE 62 Ca 0.02 0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 58.70 1g35 s ILE 62 Cb -0.01 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1g35 s ILE 62 CO 0.88 0.45 0.93 -0.22 -1.23 0.00 0.00 174.94 175.75 1g35 s LEU 63 N 0.02 4.39 -0.11 2.97 2.96 -1.26 -1.58 118.68 126.07 1g35 s LEU 63 Ca 0.17 1.61 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1g35 s LEU 63 Cb -0.13 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.10 1g35 s LEU 63 CO 0.05 -0.20 0.28 -0.51 -1.32 0.00 0.00 176.35 174.65 1g35 s ILE 64 N 0.79 -0.01 -0.18 6.68 2.07 -0.44 -4.55 121.20 125.56 1g35 s ILE 64 Ca 0.49 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.72 1g35 s ILE 64 Cb -0.21 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 1g35 s ILE 64 CO 0.27 0.02 0.01 -0.70 -1.91 0.00 0.00 174.94 172.63 1g35 s GLU 65 N 0.57 3.78 -0.23 3.50 2.12 -0.25 -0.83 118.70 127.36 1g35 s GLU 65 Ca -0.03 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1g35 s GLU 65 Cb -0.05 -3.08 0.05 0.00 0.26 0.00 0.00 34.13 31.31 1g35 s GLU 65 CO -0.03 0.20 -0.13 0.42 -0.54 0.00 0.00 175.26 175.18 1g35 s ILE 66 N 0.52 2.07 -1.39 -3.70 1.01 0.69 -0.64 121.20 119.76 1g35 s ILE 66 Ca -0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 60.65 59.19 1g35 s ILE 66 Cb -0.14 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1g35 s ILE 66 CO 0.02 0.14 0.57 0.00 0.00 0.00 0.00 174.94 175.68 1g35 n GLY 68 N -1.33 1.94 3.68 0.00 0.00 -1.26 -5.02 105.19 103.19 1g35 n GLY 68 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1g35 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g35 s HIS 69 N -2.52 3.42 0.06 1.61 4.02 0.56 -5.05 115.29 117.39 1g35 s HIS 69 Ca 0.00 0.96 -0.27 0.00 1.02 0.00 0.00 55.06 56.77 1g35 s HIS 69 Cb 0.00 -2.76 -0.05 0.00 -1.02 0.00 0.00 32.58 28.75 1g35 s HIS 69 CO 0.00 -0.09 0.85 0.15 1.02 0.00 0.00 174.74 176.67 1g35 s LYS 70 N 1.58 4.57 0.09 1.40 1.02 -1.26 -0.22 119.74 126.91 1g35 s LYS 70 Ca 0.29 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.52 1g35 s LYS 70 Cb -0.16 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1g35 s LYS 70 CO 0.11 0.21 -0.07 0.00 -0.92 0.00 0.00 175.35 174.69 1g35 s ALA 71 N 0.13 0.94 -0.17 5.17 0.00 -0.01 -4.93 121.76 122.88 1g35 s ALA 71 Ca 0.43 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1g35 s ALA 71 Cb -0.21 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.12 1g35 s ALA 71 CO 0.26 -0.22 0.11 0.42 0.00 0.00 0.00 175.76 176.32 1g35 s ILE 72 N -3.48 -0.13 0.00 0.00 1.01 -1.26 -1.32 121.20 116.02 1g35 s ILE 72 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1g35 s ILE 72 Cb 0.04 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1g35 s ILE 72 CO -0.05 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1g35 n GLY 73 N 5.29 1.94 3.73 6.18 0.00 -0.61 -4.80 105.19 116.91 1g35 n GLY 73 Ca -0.07 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1g35 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g35 s THR 74 N -2.75 4.27 -0.03 2.61 2.01 -1.26 -0.93 115.64 119.55 1g35 s THR 74 Ca 0.00 1.84 0.03 0.00 0.31 0.00 0.00 61.69 63.87 1g35 s THR 74 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1g35 s THR 74 CO 0.00 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.37 1g35 s VAL 75 N 0.18 1.12 -0.05 3.82 1.01 0.05 -4.55 120.40 121.97 1g35 s VAL 75 Ca 0.50 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1g35 s VAL 75 Cb -0.26 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1g35 s VAL 75 CO 0.31 0.33 0.01 -0.76 0.00 0.00 0.00 175.10 174.99 1g35 s LEU 76 N 0.12 3.57 -0.10 3.92 1.43 -0.23 -0.88 118.68 126.51 1g35 s LEU 76 Ca -0.03 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1g35 s LEU 76 Cb -0.10 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1g35 s LEU 76 CO 0.01 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.05 1g35 s VAL 77 N -0.98 1.69 0.00 -1.59 1.01 0.27 -0.06 120.40 120.73 1g35 s VAL 77 Ca 0.16 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1g35 s VAL 77 Cb -0.11 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1g35 s VAL 77 CO 0.06 0.48 0.51 0.61 0.00 0.00 0.00 175.10 176.76 1g35 n GLY 78 N 3.93 0.53 3.21 4.51 0.00 -0.76 -1.09 105.19 115.51 1g35 n GLY 78 Ca -0.20 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1g35 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1g35 n PRO 79 N -0.36 1.90 -3.92 1.61 -0.04 -1.26 -3.97 135.00 128.95 1g35 n PRO 79 Ca 0.02 -2.25 -0.32 0.00 -0.04 0.00 0.00 63.50 60.91 1g35 n PRO 79 Cb 0.23 -3.23 -0.04 0.00 -0.04 0.00 0.00 33.50 30.42 1g35 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1g35 s THR 80 N 6.13 5.36 0.39 0.52 -1.32 -1.26 -5.01 115.64 120.45 1g35 s THR 80 Ca 0.58 -0.35 0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1g35 s THR 80 Cb 0.10 -3.58 0.26 0.00 -1.51 0.00 0.00 72.50 67.76 1g35 s THR 80 CO 0.09 0.19 2.04 -0.65 -2.21 0.00 0.00 174.62 174.08 1g35 h PRO 81 N 3.29 0.60 -3.25 7.08 0.11 -1.97 -3.45 132.00 134.40 1g35 h PRO 81 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1g35 h PRO 81 Cb 1.17 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 1g35 h PRO 81 CO 0.74 0.41 0.04 0.14 -0.21 0.00 0.00 178.00 179.12 1g35 s VAL 82 N -5.51 0.04 0.10 3.15 -7.23 -1.26 -5.12 120.40 104.56 1g35 s VAL 82 Ca -0.09 -0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 1g35 s VAL 82 Cb 0.17 -1.27 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 1g35 s VAL 82 CO 0.74 -0.16 1.50 0.20 -0.31 0.00 0.00 175.10 177.07 1g35 s ASN 83 N -2.81 6.72 -0.13 4.85 0.01 -1.26 -4.78 114.94 117.52 1g35 s ASN 83 Ca 0.05 2.40 0.02 0.00 -0.71 0.00 0.00 52.86 54.62 1g35 s ASN 83 Cb -0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1g35 s ASN 83 CO -0.09 -0.76 -0.21 -0.63 -1.51 0.00 0.00 177.10 173.90 1g35 s ILE 84 N 1.68 2.20 -0.35 0.60 1.01 0.09 -0.44 121.20 126.00 1g35 s ILE 84 Ca 0.68 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1g35 s ILE 84 Cb -0.38 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1g35 s ILE 84 CO 0.30 0.55 0.26 -0.63 0.00 0.00 0.00 174.94 175.42 1g35 s ILE 85 N 0.66 5.27 0.38 2.92 -1.09 0.24 -1.39 121.20 128.19 1g35 s ILE 85 Ca -0.10 -0.22 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1g35 s ILE 85 Cb -0.16 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1g35 s ILE 85 CO 0.02 -0.04 0.53 0.61 -1.23 0.00 0.00 174.94 174.82 1g35 n GLY 86 N 5.09 1.53 0.34 6.18 0.00 -1.22 -1.30 105.19 115.82 1g35 n GLY 86 Ca -0.12 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.89 1g35 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g35 h ARG 87 N 0.00 0.34 -0.72 1.61 3.08 -0.91 -1.22 114.38 116.55 1g35 h ARG 87 Ca -0.18 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.94 1g35 h ARG 87 Cb 0.76 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 1g35 h ARG 87 CO 0.23 0.22 0.48 -2.95 -1.07 0.00 0.00 179.97 176.88 1g35 h ASN 88 N 0.35 0.57 0.12 7.04 -1.07 -1.75 -1.87 115.58 118.97 1g35 h ASN 88 Ca 0.23 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.39 1g35 h ASN 88 Cb 0.47 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 36.57 1g35 h ASN 88 CO -0.06 0.35 -2.10 0.18 0.07 0.00 0.00 177.43 175.87 1g35 n LEU 89 N -4.49 0.16 -0.11 6.14 4.77 -0.83 -4.05 117.00 118.59 1g35 n LEU 89 Ca 0.12 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1g35 n LEU 89 Cb 0.32 0.27 0.19 0.00 -2.33 0.00 0.00 43.42 41.87 1g35 n LEU 89 CO 0.33 0.29 0.95 -0.07 -1.33 0.00 0.00 177.39 177.55 1g35 h LEU 90 N 0.00 0.75 -1.08 2.23 3.38 -0.97 -2.35 115.31 117.27 1g35 h LEU 90 Ca -0.32 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1g35 h LEU 90 Cb 1.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1g35 h LEU 90 CO 0.02 0.76 -0.35 0.71 0.09 0.00 0.00 178.44 179.68 1g35 h THR 91 N 0.76 1.28 -0.37 0.22 1.35 -1.53 -0.90 112.91 113.73 1g35 h THR 91 Ca 0.16 -1.35 -0.08 0.00 -0.55 0.00 0.00 66.41 64.59 1g35 h THR 91 Cb 0.34 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1g35 h THR 91 CO 0.01 0.40 -0.12 1.56 -0.25 0.00 0.00 175.52 177.11 1g35 h GLN 92 N 0.16 0.64 -0.28 4.72 4.20 -1.57 -2.56 115.11 120.42 1g35 h GLN 92 Ca 0.02 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1g35 h GLN 92 Cb 0.71 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1g35 h GLN 92 CO 0.05 0.75 0.00 0.44 -0.67 0.00 0.00 178.83 179.40 1g35 n ILE 93 N -4.18 0.37 -2.58 2.54 -5.35 -1.07 -4.94 119.36 104.15 1g35 n ILE 93 Ca 0.01 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 61.91 1g35 n ILE 93 Cb 0.35 0.44 0.02 0.00 -1.74 0.00 0.00 39.64 38.70 1g35 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g35 n GLY 94 N 1.20 0.11 3.74 3.28 0.00 -0.97 -5.01 105.19 107.54 1g35 n GLY 94 Ca 0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1g35 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g35 s THR 96 N -0.23 0.72 -0.15 0.00 -4.23 -1.26 -4.68 115.64 105.81 1g35 s THR 96 Ca 0.41 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1g35 s THR 96 Cb -0.22 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1g35 s THR 96 CO 0.26 -0.43 0.06 -0.76 -0.54 0.00 0.00 174.62 173.20 1g35 s LEU 97 N -3.20 3.83 0.02 4.79 1.43 -1.26 -5.10 118.68 119.19 1g35 s LEU 97 Ca 0.25 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1g35 s LEU 97 Cb 0.06 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1g35 s LEU 97 CO 0.05 0.27 -0.07 0.20 0.23 0.00 0.00 176.35 177.03 1g35 s ASN 98 N -0.19 0.80 0.00 2.29 0.01 -1.26 -5.30 114.94 111.30 1g35 s ASN 98 Ca 0.07 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1g35 s ASN 98 Cb -0.12 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1g35 s ASN 98 CO 0.01 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.77