#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 3.44 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.80 1g35 s GLN 2 Ca 0.00 -0.60 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 1g35 s GLN 2 Cb 0.00 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1g35 s GLN 2 CO 0.00 -0.12 0.05 0.42 -0.55 0.00 0.00 175.29 175.09 1g35 s ILE 3 N 1.29 4.18 0.55 -2.34 1.01 -1.26 -5.09 121.20 119.54 1g35 s ILE 3 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1g35 s ILE 3 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1g35 s ILE 3 CO -0.01 0.37 0.90 0.42 0.00 0.00 0.00 174.94 176.62 1g35 s THR 4 N 1.42 4.77 -0.29 2.92 -4.23 -1.26 -5.00 115.64 113.97 1g35 s THR 4 Ca 0.05 0.50 0.11 0.00 -1.18 0.00 0.00 61.69 61.17 1g35 s THR 4 Cb -0.15 -3.85 0.61 0.00 1.34 0.00 0.00 72.50 70.45 1g35 s THR 4 CO 0.02 -0.97 1.62 0.18 -0.54 0.00 0.00 174.62 174.93 1g35 n LEU 5 N -2.50 5.01 0.18 4.79 4.77 -1.26 -4.45 117.00 123.54 1g35 n LEU 5 Ca 0.03 -3.36 0.02 0.00 -0.03 0.00 0.00 56.01 52.67 1g35 n LEU 5 Cb 0.55 -0.67 0.37 0.00 -2.33 0.00 0.00 43.42 41.33 1g35 n LEU 5 CO 0.55 0.92 0.75 -0.50 -1.33 0.00 0.00 177.39 177.79 1g35 h TRP 6 N 1.80 0.04 -2.69 -1.77 4.06 -2.05 -3.44 115.95 111.89 1g35 h TRP 6 Ca 0.22 -0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.67 1g35 h TRP 6 Cb 1.96 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.97 1g35 h TRP 6 CO 1.03 0.37 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.97 1g35 s GLN 7 N -4.29 1.56 0.32 0.49 1.11 -1.26 -5.11 119.66 112.48 1g35 s GLN 7 Ca -0.03 -1.81 -0.29 0.00 0.01 0.00 0.00 55.36 53.23 1g35 s GLN 7 Cb 0.15 -1.08 -0.11 0.00 -1.01 0.00 0.00 33.01 30.95 1g35 s GLN 7 CO 0.73 -0.01 1.58 0.54 0.01 0.00 0.00 175.29 178.13 1g35 n ARG 8 N -0.60 2.72 -2.53 2.91 1.74 -1.26 -4.87 116.66 114.77 1g35 n ARG 8 Ca -0.05 0.96 -0.41 0.00 -0.77 0.00 0.00 57.85 57.58 1g35 n ARG 8 Cb 0.64 -2.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.33 1g35 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1g35 s PRO 9 N -0.94 3.76 -0.10 5.56 0.04 -1.26 -4.96 135.00 137.10 1g35 s PRO 9 Ca 0.61 -1.70 -0.11 0.00 0.04 0.00 0.00 61.00 59.85 1g35 s PRO 9 Cb -0.48 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.54 1g35 s PRO 9 CO 0.53 -2.39 0.25 -0.51 0.04 0.00 0.00 177.00 174.91 1g35 s LEU 10 N 5.00 4.38 0.18 -3.56 1.43 -1.26 -1.43 118.68 123.42 1g35 s LEU 10 Ca 0.53 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1g35 s LEU 10 Cb 0.02 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1g35 s LEU 10 CO 0.04 0.32 0.05 0.68 0.23 0.00 0.00 176.35 177.66 1g35 s VAL 11 N -0.70 0.43 -0.13 -1.59 -7.23 0.51 -4.95 120.40 106.75 1g35 s VAL 11 Ca 0.17 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 1g35 s VAL 11 Cb -0.14 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1g35 s VAL 11 CO 0.06 -0.34 0.29 -0.89 -0.31 0.00 0.00 175.10 173.92 1g35 s THR 12 N -3.83 5.29 0.19 5.32 2.01 -1.26 -0.40 115.64 122.95 1g35 s THR 12 Ca 0.28 0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.91 1g35 s THR 12 Cb 0.07 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1g35 s THR 12 CO 0.06 0.45 -0.16 0.27 -0.69 0.00 0.00 174.62 174.55 1g35 s ILE 13 N -0.01 1.78 -0.14 1.82 -4.36 0.23 -3.12 121.20 117.40 1g35 s ILE 13 Ca 0.17 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1g35 s ILE 13 Cb -0.13 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1g35 s ILE 13 CO 0.05 -0.46 -0.16 -0.75 0.24 0.00 0.00 174.94 173.86 1g35 s LYS 14 N -3.23 2.47 -0.13 0.37 2.20 -0.46 -1.16 119.74 119.80 1g35 s LYS 14 Ca 0.19 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1g35 s LYS 14 Cb -0.03 -2.16 0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1g35 s LYS 14 CO 0.07 -0.16 0.27 -1.50 -0.36 0.00 0.00 175.35 173.67 1g35 s ILE 15 N 1.24 -0.26 -1.24 5.43 2.07 -0.13 -1.77 121.20 126.54 1g35 s ILE 15 Ca 0.00 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 1g35 s ILE 15 Cb -0.14 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.02 1g35 s ILE 15 CO -0.08 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1g35 n GLY 16 N 4.86 0.06 2.25 1.50 0.00 -1.26 -1.82 105.19 110.78 1g35 n GLY 16 Ca -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.05 0.55 3.40 -0.02 0.00 -1.26 -5.01 105.19 101.79 1g35 n GLY 17 Ca -0.16 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.35 2.44 -0.19 1.61 -0.21 -0.76 -5.12 119.66 116.10 1g35 s GLN 18 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.48 1g35 s GLN 18 Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1g35 s GLN 18 CO 0.00 0.56 0.20 -0.51 -2.12 0.00 0.00 175.29 173.42 1g35 s LEU 19 N -0.58 4.22 0.14 2.90 1.43 -1.26 -0.96 118.68 124.57 1g35 s LEU 19 Ca 0.08 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1g35 s LEU 19 Cb -0.11 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1g35 s LEU 19 CO 0.01 0.14 -0.01 -0.54 0.23 0.00 0.00 176.35 176.18 1g35 s LYS 20 N 0.45 0.97 -0.16 1.70 1.02 -0.31 -4.97 119.74 118.43 1g35 s LYS 20 Ca 0.12 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.59 1g35 s LYS 20 Cb -0.12 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1g35 s LYS 20 CO 0.01 -0.13 0.09 -2.00 -0.92 0.00 0.00 175.35 172.40 1g35 s GLU 21 N -3.92 3.77 0.06 1.68 2.12 -1.26 -0.60 118.70 120.55 1g35 s GLU 21 Ca 0.20 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.26 1g35 s GLU 21 Cb 0.06 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1g35 s GLU 21 CO 0.00 0.45 -0.06 0.00 -0.54 0.00 0.00 175.26 175.11 1g35 s ALA 22 N -0.12 0.68 -0.19 6.30 0.00 0.46 -4.44 121.76 124.45 1g35 s ALA 22 Ca 0.08 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1g35 s ALA 22 Cb -0.12 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1g35 s ALA 22 CO 0.01 -0.16 0.23 -1.17 0.00 0.00 0.00 175.76 174.67 1g35 s LEU 23 N -2.30 4.20 -0.40 0.00 2.96 -0.11 -0.36 118.68 122.67 1g35 s LEU 23 Ca -0.00 0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 1g35 s LEU 23 Cb -0.02 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1g35 s LEU 23 CO -0.03 0.10 1.13 -0.76 -1.32 0.00 0.00 176.35 175.46 1g35 s LEU 24 N 0.65 3.76 -0.39 -0.68 1.43 -0.51 -0.76 118.68 122.19 1g35 s LEU 24 Ca 0.13 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1g35 s LEU 24 Cb -0.13 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.65 1g35 s LEU 24 CO 0.03 -1.10 0.12 -0.62 0.23 0.00 0.00 176.35 175.01 1g35 s ASP 25 N 2.17 4.85 0.28 2.29 -1.08 -0.35 -4.79 116.67 120.04 1g35 s ASP 25 Ca 0.48 -2.25 0.24 0.00 -0.52 0.00 0.00 52.55 50.49 1g35 s ASP 25 Cb -0.10 -1.69 1.02 0.00 -1.46 0.00 0.00 42.92 40.70 1g35 s ASP 25 CO 0.25 -0.40 1.72 0.35 0.52 0.00 0.00 175.17 177.60 1g35 n THR 26 N 4.18 0.85 0.78 1.71 -2.24 -1.26 -2.16 114.28 116.13 1g35 n THR 26 Ca 0.03 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 1g35 n THR 26 Cb 0.41 -1.24 0.34 0.00 -2.10 0.00 0.00 70.33 67.73 1g35 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g35 n GLY 27 N -0.17 -1.46 3.67 3.38 0.00 -1.26 -4.81 105.19 104.54 1g35 n GLY 27 Ca 0.02 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.08 3.54 0.12 4.61 0.00 -0.92 -4.98 121.76 121.06 1g35 s ALA 28 Ca 0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1g35 s ALA 28 Cb 0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1g35 s ALA 28 CO 0.65 -0.37 1.55 -0.44 0.00 0.00 0.00 175.76 177.15 1g35 h ASP 29 N 7.37 0.72 -0.99 0.00 3.32 -1.88 0.11 116.42 125.08 1g35 h ASP 29 Ca -0.35 -0.33 -0.65 0.00 0.02 0.00 0.00 57.03 55.71 1g35 h ASP 29 Cb 1.16 -0.19 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1g35 h ASP 29 CO 0.74 0.88 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.78 1g35 s ASP 30 N -6.27 3.95 -0.17 6.45 1.01 -1.26 -2.23 116.67 118.14 1g35 s ASP 30 Ca -0.13 -1.55 -0.11 0.00 0.71 0.00 0.00 52.55 51.47 1g35 s ASP 30 Cb 0.10 0.19 -0.05 0.00 1.01 0.00 0.00 42.92 44.18 1g35 s ASP 30 CO 0.80 -0.71 0.20 -0.89 0.21 0.00 0.00 175.17 174.77 1g35 s THR 31 N -2.84 5.37 -0.07 -1.27 2.01 -1.26 -3.36 115.64 114.21 1g35 s THR 31 Ca 0.17 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1g35 s THR 31 Cb 0.05 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1g35 s THR 31 CO 0.09 0.46 -0.08 0.54 -0.69 0.00 0.00 174.62 174.93 1g35 s VAL 32 N 0.13 0.92 0.19 3.82 0.11 -0.50 -0.37 120.40 124.70 1g35 s VAL 32 Ca 0.12 -0.31 0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1g35 s VAL 32 Cb -0.12 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1g35 s VAL 32 CO 0.01 0.32 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.12 1g35 s LEU 33 N 1.06 2.47 0.89 2.54 1.43 0.70 -0.52 118.68 127.25 1g35 s LEU 33 Ca -0.08 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.07 1g35 s LEU 33 Cb -0.14 -1.20 0.13 0.00 0.03 0.00 0.00 46.19 45.01 1g35 s LEU 33 CO -0.01 0.12 1.15 -1.83 0.23 0.00 0.00 176.35 176.01 1g35 s GLU 34 N -2.69 1.17 0.05 1.70 -1.05 -1.26 -1.60 118.70 115.03 1g35 s GLU 34 Ca 0.21 1.54 -0.38 0.00 -0.15 0.00 0.00 54.97 56.19 1g35 s GLU 34 Cb -0.08 -1.75 -0.18 0.00 -0.44 0.00 0.00 34.13 31.68 1g35 s GLU 34 CO 0.10 -2.52 1.22 0.39 0.95 0.00 0.00 175.26 175.41 1g35 n GLU 35 N -4.10 0.67 -3.62 -4.83 -0.58 -1.11 -4.53 120.64 102.54 1g35 n GLU 35 Ca 0.12 0.24 -0.06 0.00 -0.42 0.00 0.00 57.16 57.04 1g35 n GLU 35 Cb 0.52 -1.82 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1g35 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g35 s MET 36 N 0.27 1.02 -0.15 3.49 0.23 -1.26 -5.02 119.30 117.87 1g35 s MET 36 Ca 0.87 -0.48 -0.13 0.00 -1.03 0.00 0.00 55.69 54.92 1g35 s MET 36 Cb -1.08 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 32.57 1g35 s MET 36 CO 0.51 -0.46 0.28 0.45 -2.03 0.00 0.00 175.02 173.78 1g35 s SER 37 N -2.71 6.44 0.06 -1.18 0.15 -1.26 -5.04 113.70 110.16 1g35 s SER 37 Ca 0.08 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.29 1g35 s SER 37 Cb -0.01 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1g35 s SER 37 CO -0.04 0.13 -0.13 -0.76 1.20 0.00 0.00 173.24 173.64 1g35 s LEU 38 N 0.33 2.24 0.56 3.45 1.43 -1.26 -5.03 118.68 120.40 1g35 s LEU 38 Ca 0.16 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1g35 s LEU 38 Cb -0.13 -0.47 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1g35 s LEU 38 CO 0.04 -0.07 1.01 -2.16 0.23 0.00 0.00 176.35 175.40 1g35 s PRO 39 N -1.54 3.75 0.00 1.29 0.04 -1.26 -4.95 135.00 132.33 1g35 s PRO 39 Ca -0.02 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1g35 s PRO 39 Cb -0.09 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1g35 s PRO 39 CO 0.02 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1g35 n GLY 40 N -1.80 0.45 3.92 0.56 0.00 -1.26 -5.01 105.19 102.07 1g35 n GLY 40 Ca 0.07 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 1g35 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g35 s ARG 41 N -1.27 3.31 0.17 1.61 3.52 -1.26 -5.11 118.95 119.92 1g35 s ARG 41 Ca 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 1g35 s ARG 41 Cb 0.00 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1g35 s ARG 41 CO 0.00 -0.25 0.09 1.67 -0.81 0.00 0.00 175.30 176.00 1g35 s TRP 42 N -2.68 1.01 -0.02 5.12 1.48 -1.26 -4.67 118.94 117.93 1g35 s TRP 42 Ca 0.47 -1.31 0.04 0.00 -1.06 0.00 0.00 56.10 54.25 1g35 s TRP 42 Cb -0.10 -0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 31.68 1g35 s TRP 42 CO 0.42 -0.58 -0.13 0.15 -4.06 0.00 0.00 176.95 172.75 1g35 s LYS 43 N -4.10 1.17 0.46 3.25 1.02 -0.99 -4.91 119.74 115.64 1g35 s LYS 43 Ca 0.32 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.62 1g35 s LYS 43 Cb 0.07 -1.10 -0.08 0.00 -0.52 0.00 0.00 37.83 36.20 1g35 s LYS 43 CO 0.07 0.25 1.09 -1.25 -0.92 0.00 0.00 175.35 174.59 1g35 s PRO 44 N -0.17 3.83 0.06 -1.68 0.04 -1.26 -0.36 135.00 135.46 1g35 s PRO 44 Ca 0.02 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 1g35 s PRO 44 Cb -0.07 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1g35 s PRO 44 CO 0.00 -0.44 0.40 0.21 0.04 0.00 0.00 177.00 177.21 1g35 s LYS 45 N -2.90 0.94 -0.13 4.56 2.20 -0.57 -4.87 119.74 118.98 1g35 s LYS 45 Ca 0.64 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1g35 s LYS 45 Cb -0.22 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1g35 s LYS 45 CO 0.27 -0.33 -0.22 1.41 -0.36 0.00 0.00 175.35 176.11 1g35 s MET 46 N -2.80 3.05 0.03 4.03 -2.45 -1.26 -0.86 119.30 119.04 1g35 s MET 46 Ca -0.03 -0.85 0.07 0.00 -1.25 0.00 0.00 55.69 53.63 1g35 s MET 46 Cb -0.00 -2.40 -0.02 0.00 1.25 0.00 0.00 34.83 33.65 1g35 s MET 46 CO -0.05 0.06 -0.21 0.96 1.05 0.00 0.00 175.02 176.83 1g35 s ILE 47 N 0.64 1.69 0.12 10.11 -4.36 -0.87 -4.96 121.20 123.56 1g35 s ILE 47 Ca -0.11 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 59.19 1g35 s ILE 47 Cb -0.16 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1g35 s ILE 47 CO 0.02 0.28 -0.11 -0.83 0.24 0.00 0.00 174.94 174.54 1g35 s GLY 48 N -1.00 0.97 0.00 6.27 0.00 -1.26 -1.38 107.32 110.91 1g35 s GLY 48 Ca 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1g35 s GLY 48 CO 0.01 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1g35 n GLY 49 N 0.40 3.28 3.71 0.20 0.00 -0.58 -4.97 105.19 107.24 1g35 n GLY 49 Ca -0.15 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1g35 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g35 n ILE 50 N 0.00 0.07 0.00 -0.61 5.41 -1.26 -1.37 119.36 121.59 1g35 n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1g35 n ILE 50 Cb 0.00 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 1g35 n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g35 n GLY 51 N 3.99 2.85 0.00 7.39 0.00 -1.26 -4.97 105.19 113.19 1g35 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.99 0.55 3.74 -0.02 0.00 -0.47 -5.08 105.19 101.92 1g35 n GLY 52 Ca 0.00 -2.28 -0.25 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.11 2.98 0.06 1.61 0.40 -1.26 -1.53 117.98 120.13 1g35 s PHE 53 Ca 0.00 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1g35 s PHE 53 Cb 0.00 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 1g35 s PHE 53 CO 0.00 0.54 -0.06 0.96 0.70 0.00 0.00 175.22 177.35 1g35 s ILE 54 N -1.95 0.50 -0.09 0.64 -4.36 -0.48 -4.97 121.20 110.49 1g35 s ILE 54 Ca 0.31 -1.45 -0.15 0.00 -0.26 0.00 0.00 60.65 59.09 1g35 s ILE 54 Cb -0.09 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 1g35 s ILE 54 CO 0.22 -0.64 0.39 -0.75 0.24 0.00 0.00 174.94 174.40 1g35 s LYS 55 N -2.64 4.14 0.23 0.37 2.20 -1.26 -2.05 119.74 120.73 1g35 s LYS 55 Ca -0.01 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1g35 s LYS 55 Cb -0.02 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1g35 s LYS 55 CO -0.03 0.39 0.02 0.14 -0.36 0.00 0.00 175.35 175.52 1g35 s VAL 56 N -0.08 0.86 -0.18 4.02 -7.23 -0.04 -4.43 120.40 113.32 1g35 s VAL 56 Ca 0.22 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1g35 s VAL 56 Cb -0.15 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1g35 s VAL 56 CO 0.09 -0.27 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.48 1g35 s ARG 57 N -3.91 3.69 -0.29 4.82 0.52 0.55 -1.51 118.95 122.81 1g35 s ARG 57 Ca 0.30 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 1g35 s ARG 57 Cb 0.06 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1g35 s ARG 57 CO 0.09 0.15 0.38 -1.14 0.02 0.00 0.00 175.30 174.80 1g35 s GLN 58 N 0.63 3.87 -0.11 3.54 0.74 0.52 -0.77 119.66 128.08 1g35 s GLN 58 Ca -0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.31 1g35 s GLN 58 Cb -0.14 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 1g35 s GLN 58 CO 0.02 -0.37 -0.07 0.71 -0.55 0.00 0.00 175.29 175.03 1g35 s TYR 59 N 2.09 2.93 0.26 1.67 1.51 -0.25 -2.36 117.35 123.20 1g35 s TYR 59 Ca 0.15 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1g35 s TYR 59 Cb -0.16 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1g35 s TYR 59 CO 0.11 0.07 0.18 -0.51 -1.11 0.00 0.00 175.55 174.29 1g35 s ASP 60 N -0.12 5.41 -1.30 2.29 1.01 -1.26 -0.72 116.67 121.98 1g35 s ASP 60 Ca 0.01 -0.31 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 1g35 s ASP 60 Cb -0.13 -1.32 -0.00 0.00 1.01 0.00 0.00 42.92 42.48 1g35 s ASP 60 CO 0.03 -0.06 0.69 0.00 0.21 0.00 0.00 175.17 176.04 1g35 n GLN 61 N -1.17 -4.64 -3.85 8.23 3.00 -1.22 -4.92 117.38 112.81 1g35 n GLN 61 Ca -0.07 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.16 1g35 n GLN 61 Cb 0.58 -5.11 -0.06 0.00 0.00 0.00 0.00 30.24 25.64 1g35 n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g35 s ILE 62 N -3.68 5.49 -0.12 5.09 -1.09 -0.40 -4.82 121.20 121.67 1g35 s ILE 62 Ca 0.02 0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.48 1g35 s ILE 62 Cb -0.01 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1g35 s ILE 62 CO 0.82 0.59 0.45 -0.22 -1.23 0.00 0.00 174.94 175.34 1g35 s LEU 63 N -0.77 4.28 0.01 2.97 2.96 -1.26 -1.55 118.68 125.32 1g35 s LEU 63 Ca 0.14 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1g35 s LEU 63 Cb -0.12 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1g35 s LEU 63 CO 0.03 0.04 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.44 1g35 s ILE 64 N 0.49 0.20 -0.24 6.68 1.01 0.13 -4.60 121.20 124.87 1g35 s ILE 64 Ca 0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1g35 s ILE 64 Cb -0.15 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1g35 s ILE 64 CO 0.10 -0.08 0.01 -1.61 0.00 0.00 0.00 174.94 173.35 1g35 s GLU 65 N -0.42 3.44 -0.28 2.79 2.02 -0.73 -0.54 118.70 124.99 1g35 s GLU 65 Ca -0.03 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1g35 s GLU 65 Cb -0.03 -3.15 0.04 0.00 0.10 0.00 0.00 34.13 31.09 1g35 s GLU 65 CO -0.00 -0.22 -0.02 0.42 0.02 0.00 0.00 175.26 175.46 1g35 s ILE 66 N 1.53 2.97 -1.55 -1.63 1.01 -0.25 -1.35 121.20 121.93 1g35 s ILE 66 Ca 0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 1g35 s ILE 66 Cb -0.15 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.77 1g35 s ILE 66 CO -0.00 -0.01 0.81 0.00 0.00 0.00 0.00 174.94 175.74 1g35 n GLY 68 N -1.63 1.44 3.50 0.00 0.00 -1.26 -5.02 105.19 102.22 1g35 n GLY 68 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.04 3.18 0.32 1.61 4.02 -0.08 -5.07 115.29 116.23 1g35 s HIS 69 Ca 0.00 -0.29 -0.28 0.00 1.02 0.00 0.00 55.06 55.52 1g35 s HIS 69 Cb 0.00 -2.37 -0.09 0.00 -1.02 0.00 0.00 32.58 29.10 1g35 s HIS 69 CO 0.00 -0.34 1.09 0.15 1.02 0.00 0.00 174.74 176.66 1g35 s LYS 70 N 1.68 4.45 0.02 1.40 1.02 -1.26 -1.09 119.74 125.96 1g35 s LYS 70 Ca 0.06 1.73 -0.13 0.00 0.02 0.00 0.00 55.97 57.64 1g35 s LYS 70 Cb -0.16 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1g35 s LYS 70 CO 0.08 0.07 0.28 0.00 -0.92 0.00 0.00 175.35 174.86 1g35 s ALA 71 N -1.32 -0.65 -0.02 5.17 0.00 0.30 -4.87 121.76 120.36 1g35 s ALA 71 Ca 0.49 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1g35 s ALA 71 Cb -0.29 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1g35 s ALA 71 CO 0.37 -0.34 -0.20 0.42 0.00 0.00 0.00 175.76 176.02 1g35 s ILE 72 N -2.02 1.56 -1.29 0.00 1.01 -1.26 -0.69 121.20 118.51 1g35 s ILE 72 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1g35 s ILE 72 Cb -0.03 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1g35 s ILE 72 CO -0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1g35 n GLY 73 N 2.69 -1.52 3.75 6.18 0.00 -0.60 -4.92 105.19 110.78 1g35 n GLY 73 Ca -0.16 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.15 3.81 -0.05 2.61 2.01 -1.26 -1.28 115.64 119.33 1g35 s THR 74 Ca 0.00 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.76 1g35 s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1g35 s THR 74 CO 0.00 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1g35 s VAL 75 N -0.87 1.09 -0.15 3.82 1.01 0.11 -4.37 120.40 121.04 1g35 s VAL 75 Ca 0.45 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1g35 s VAL 75 Cb -0.29 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1g35 s VAL 75 CO 0.36 0.34 0.09 -0.76 0.00 0.00 0.00 175.10 175.13 1g35 s LEU 76 N 0.46 4.03 -0.12 3.92 1.43 0.50 -1.09 118.68 127.81 1g35 s LEU 76 Ca -0.10 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1g35 s LEU 76 Cb -0.13 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1g35 s LEU 76 CO 0.03 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.98 1g35 s VAL 77 N -0.28 2.17 -0.00 -1.59 1.01 0.05 -0.21 120.40 121.55 1g35 s VAL 77 Ca 0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1g35 s VAL 77 Cb -0.12 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1g35 s VAL 77 CO 0.01 0.55 0.19 0.61 0.00 0.00 0.00 175.10 176.47 1g35 n GLY 78 N 3.76 0.62 2.18 4.51 0.00 -0.63 -0.33 105.19 115.29 1g35 n GLY 78 Ca -0.19 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.14 1.23 -2.87 1.61 -0.04 -1.26 -2.75 135.00 130.78 1g35 n PRO 79 Ca 0.01 -0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 62.47 1g35 n PRO 79 Cb 0.09 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 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 1.73 4.25 0.14 0.52 -1.32 -1.26 -4.96 115.64 114.74 1g35 s THR 80 Ca 0.40 1.82 0.34 0.00 -1.21 0.00 0.00 61.69 63.05 1g35 s THR 80 Cb 0.19 -4.15 0.40 0.00 -1.51 0.00 0.00 72.50 67.43 1g35 s THR 80 CO 0.00 0.41 2.01 1.55 -2.21 0.00 0.00 174.62 176.38 1g35 h PRO 81 N 3.95 0.00 -3.17 7.08 0.13 -1.99 -3.42 132.00 134.58 1g35 h PRO 81 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1g35 h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1g35 h PRO 81 CO 0.66 0.00 -0.35 0.54 -0.23 0.00 0.00 178.00 178.63 1g35 s VAL 82 N -3.70 0.06 0.05 1.56 0.11 -1.26 -5.08 120.40 112.13 1g35 s VAL 82 Ca 0.01 -0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 58.27 1g35 s VAL 82 Cb 0.09 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.35 1g35 s VAL 82 CO 0.53 -0.26 1.25 0.20 -3.33 0.00 0.00 175.10 173.49 1g35 s ASN 83 N -1.17 7.01 -0.13 3.54 0.01 -1.26 -4.76 114.94 118.19 1g35 s ASN 83 Ca -0.12 2.04 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1g35 s ASN 83 Cb -0.05 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1g35 s ASN 83 CO 0.03 -0.54 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.24 1g35 s ILE 84 N 1.37 1.95 -0.36 0.60 1.01 0.32 -0.93 121.20 125.16 1g35 s ILE 84 Ca 0.60 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1g35 s ILE 84 Cb -0.30 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 1g35 s ILE 84 CO 0.28 0.53 0.31 -0.63 0.00 0.00 0.00 174.94 175.44 1g35 s ILE 85 N 0.82 5.22 0.48 2.92 -1.09 0.06 -1.41 121.20 128.20 1g35 s ILE 85 Ca -0.08 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1g35 s ILE 85 Cb -0.16 -3.83 0.09 0.00 -1.58 0.00 0.00 42.46 36.99 1g35 s ILE 85 CO -0.01 -0.14 0.66 0.61 -1.23 0.00 0.00 174.94 174.82 1g35 n GLY 86 N 5.07 1.09 0.36 6.18 0.00 -1.21 -1.22 105.19 115.46 1g35 n GLY 86 Ca -0.11 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 0.75 -0.71 1.61 3.08 -0.77 -1.76 114.38 116.57 1g35 h ARG 87 Ca -0.22 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 59.97 1g35 h ARG 87 Cb 0.87 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1g35 h ARG 87 CO 0.26 0.49 0.50 -2.95 -1.07 0.00 0.00 179.97 177.20 1g35 h ASN 88 N 0.77 0.13 0.00 7.04 -1.07 -1.70 -1.91 115.58 118.83 1g35 h ASN 88 Ca 0.39 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.43 1g35 h ASN 88 Cb 0.47 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.64 1g35 h ASN 88 CO -0.16 0.06 -2.29 0.18 0.07 0.00 0.00 177.43 175.30 1g35 n LEU 89 N -4.39 0.28 -0.01 6.14 4.77 -0.91 -4.40 117.00 118.48 1g35 n LEU 89 Ca 0.14 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1g35 n LEU 89 Cb 0.69 0.34 0.40 0.00 -2.33 0.00 0.00 43.42 42.52 1g35 n LEU 89 CO 0.36 0.50 1.13 -0.07 -1.33 0.00 0.00 177.39 177.98 1g35 h LEU 90 N 0.00 0.49 -1.14 2.23 3.38 -0.85 -1.75 115.31 117.67 1g35 h LEU 90 Ca -0.51 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 1g35 h LEU 90 Cb 2.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1g35 h LEU 90 CO 0.02 0.39 -0.14 0.71 0.09 0.00 0.00 178.44 179.51 1g35 h THR 91 N 0.57 1.23 0.00 0.22 1.35 -1.57 -2.18 112.91 112.52 1g35 h THR 91 Ca 0.15 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 1g35 h THR 91 Cb -0.01 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1g35 h THR 91 CO -0.03 0.32 -0.19 1.56 -0.25 0.00 0.00 175.52 176.94 1g35 h GLN 92 N 0.41 0.00 -0.40 4.72 1.08 -1.52 -2.29 115.11 117.10 1g35 h GLN 92 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1g35 h GLN 92 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1g35 h GLN 92 CO 0.03 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.53 1g35 n ILE 93 N -3.59 0.51 -2.12 2.54 -5.35 -1.08 -4.95 119.36 105.32 1g35 n ILE 93 Ca -0.01 -0.73 -0.06 0.00 -0.27 0.00 0.00 62.75 61.68 1g35 n ILE 93 Cb 0.32 0.90 -0.00 0.00 -1.74 0.00 0.00 39.64 39.12 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 1.50 0.13 3.72 3.28 0.00 -0.86 -5.01 105.19 107.94 1g35 n GLY 94 Ca 0.20 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 0.77 1.06 -0.17 0.00 -4.23 -1.26 -4.72 115.64 107.07 1g35 s THR 96 Ca 0.53 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.10 1g35 s THR 96 Cb -0.25 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.94 1g35 s THR 96 CO 0.29 -0.64 0.17 -0.22 -0.54 0.00 0.00 174.62 173.68 1g35 s LEU 97 N -2.78 4.25 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.53 1g35 s LEU 97 Ca 0.11 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1g35 s LEU 97 Cb -0.00 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1g35 s LEU 97 CO 0.00 0.20 -0.06 0.20 -1.32 0.00 0.00 176.35 175.37 1g35 s ASN 98 N 0.13 0.88 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.20 1g35 s ASN 98 Ca 0.11 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1g35 s ASN 98 Cb -0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1g35 s ASN 98 CO 0.01 0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.79