#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r38 s GLN 2 N 0.00 3.27 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.63 2r38 s GLN 2 Ca 0.00 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.72 2r38 s GLN 2 Cb 0.00 -2.79 0.03 0.00 1.10 0.00 0.00 33.01 31.35 2r38 s GLN 2 CO 0.00 -0.10 -0.14 0.42 -0.55 0.00 0.00 175.29 174.92 2r38 s ILE 3 N 1.15 2.34 0.87 -2.34 1.01 -1.26 -5.12 121.20 117.85 2r38 s ILE 3 Ca 0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 2r38 s ILE 3 Cb -0.14 -2.12 0.13 0.00 0.01 0.00 0.00 42.46 40.33 2r38 s ILE 3 CO -0.04 0.33 1.24 0.42 0.00 0.00 0.00 174.94 176.89 2r38 s THR 4 N 1.26 2.00 -0.15 2.92 -4.23 -1.26 -5.02 115.64 111.17 2r38 s THR 4 Ca 0.01 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 2r38 s THR 4 Cb -0.15 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.01 2r38 s THR 4 CO -0.09 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.35 2r38 n LEU 5 N -3.50 2.47 0.21 4.79 4.77 -1.26 -4.62 117.00 119.87 2r38 n LEU 5 Ca 0.11 -3.24 0.05 0.00 -0.03 0.00 0.00 56.01 52.89 2r38 n LEU 5 Cb 0.60 -0.45 0.47 0.00 -2.33 0.00 0.00 43.42 41.71 2r38 n LEU 5 CO 0.53 0.84 0.84 -0.50 -1.33 0.00 0.00 177.39 177.77 2r38 h TRP 6 N 0.24 0.00 -2.13 -1.77 4.06 -2.06 -3.43 115.95 110.85 2r38 h TRP 6 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2r38 h TRP 6 Cb 1.02 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 2r38 h TRP 6 CO 0.16 0.24 -0.70 -0.65 -3.56 0.00 0.00 178.44 173.94 2r38 s GLN 7 N -4.44 1.73 0.30 0.49 -0.21 -1.26 -5.10 119.66 111.17 2r38 s GLN 7 Ca -0.03 -1.87 -0.30 0.00 0.02 0.00 0.00 55.36 53.18 2r38 s GLN 7 Cb 0.15 -1.61 -0.12 0.00 1.00 0.00 0.00 33.01 32.43 2r38 s GLN 7 CO 0.70 0.16 1.58 0.54 -2.12 0.00 0.00 175.29 176.15 2r38 n ARG 8 N -0.71 2.67 -1.78 2.91 1.74 -1.26 -4.87 116.66 115.36 2r38 n ARG 8 Ca -0.05 0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 2r38 n ARG 8 Cb 0.63 -2.72 -0.01 0.00 -1.02 0.00 0.00 32.46 29.33 2r38 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r38 n PRO 9 N 2.00 2.61 -3.13 5.56 -0.04 -1.26 -4.94 135.00 135.79 2r38 n PRO 9 Ca 0.08 -2.57 -0.39 0.00 -0.04 0.00 0.00 63.50 60.58 2r38 n PRO 9 Cb 0.37 -3.28 -0.05 0.00 -0.04 0.00 0.00 33.50 30.50 2r38 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r38 s LEU 10 N 2.73 4.38 0.24 1.53 1.43 -1.26 -0.99 118.68 126.74 2r38 s LEU 10 Ca 0.51 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2r38 s LEU 10 Cb 0.12 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2r38 s LEU 10 CO -0.01 0.02 0.03 0.68 0.23 0.00 0.00 176.35 177.30 2r38 s VAL 11 N 0.19 0.85 -0.11 -1.59 -7.23 0.09 -4.94 120.40 107.65 2r38 s VAL 11 Ca 0.34 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2r38 s VAL 11 Cb -0.18 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2r38 s VAL 11 CO 0.18 -0.22 0.33 -0.89 -0.31 0.00 0.00 175.10 174.19 2r38 s THR 12 N -3.55 5.24 0.30 5.32 2.01 -1.26 -1.19 115.64 122.51 2r38 s THR 12 Ca 0.31 0.65 0.10 0.00 0.31 0.00 0.00 61.69 63.06 2r38 s THR 12 Cb 0.07 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2r38 s THR 12 CO 0.10 0.45 -0.05 0.27 -0.69 0.00 0.00 174.62 174.69 2r38 s ILE 13 N -0.01 2.86 -0.08 1.82 -4.36 0.79 -1.54 121.20 120.67 2r38 s ILE 13 Ca 0.20 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 2r38 s ILE 13 Cb -0.14 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.91 2r38 s ILE 13 CO 0.07 -0.31 -0.11 -0.75 0.24 0.00 0.00 174.94 174.08 2r38 s LYS 14 N -3.64 1.66 -0.08 0.37 2.20 -0.64 -1.39 119.74 118.22 2r38 s LYS 14 Ca 0.32 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2r38 s LYS 14 Cb -0.03 -1.48 0.02 0.00 -1.51 0.00 0.00 37.83 34.83 2r38 s LYS 14 CO 0.18 -0.07 0.22 -1.50 -0.36 0.00 0.00 175.35 173.82 2r38 s ILE 15 N 1.02 0.00 -1.30 5.43 2.07 -0.54 -1.55 121.20 126.33 2r38 s ILE 15 Ca -0.08 -0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.09 2r38 s ILE 15 Cb -0.15 -0.31 0.04 0.00 0.13 0.00 0.00 42.46 42.17 2r38 s ILE 15 CO -0.01 -0.00 0.41 0.61 -1.91 0.00 0.00 174.94 174.04 2r38 n GLY 16 N 2.94 -0.50 3.25 1.50 0.00 -1.26 -1.35 105.19 109.77 2r38 n GLY 16 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2r38 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r38 n GLY 17 N -1.17 0.93 3.62 -0.02 0.00 -1.26 -5.00 105.19 102.28 2r38 n GLY 17 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2r38 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2r38 s GLN 18 N -0.20 2.53 0.08 1.61 -2.07 -0.46 -5.10 119.66 116.06 2r38 s GLN 18 Ca 0.00 -0.76 -0.22 0.00 -1.82 0.00 0.00 55.36 52.56 2r38 s GLN 18 Cb 0.00 -2.51 -0.07 0.00 -1.09 0.00 0.00 33.01 29.34 2r38 s GLN 18 CO 0.00 0.58 0.65 -0.51 -1.32 0.00 0.00 175.29 174.70 2r38 s LEU 19 N -1.68 4.52 0.04 2.60 1.43 -1.26 -1.46 118.68 122.87 2r38 s LEU 19 Ca 0.19 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.60 2r38 s LEU 19 Cb -0.11 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 2r38 s LEU 19 CO 0.10 0.20 0.12 -0.54 0.23 0.00 0.00 176.35 176.46 2r38 s LYS 20 N -0.85 0.63 0.01 1.70 1.02 -0.49 -4.99 119.74 116.77 2r38 s LYS 20 Ca 0.32 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.38 2r38 s LYS 20 Cb -0.20 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.30 2r38 s LYS 20 CO 0.21 -0.17 0.47 -2.00 -0.92 0.00 0.00 175.35 172.94 2r38 s GLU 21 N -2.75 4.06 0.03 1.68 2.12 -1.26 -0.15 118.70 122.43 2r38 s GLU 21 Ca -0.04 0.52 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 2r38 s GLU 21 Cb -0.00 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2r38 s GLU 21 CO -0.05 0.61 0.17 0.00 -0.54 0.00 0.00 175.26 175.45 2r38 s ALA 22 N -0.88 -0.30 -0.21 6.30 0.00 -0.33 -4.56 121.76 121.78 2r38 s ALA 22 Ca 0.26 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 2r38 s ALA 22 Cb -0.17 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2r38 s ALA 22 CO 0.15 -0.32 0.33 -1.17 0.00 0.00 0.00 175.76 174.75 2r38 s LEU 23 N -1.93 4.15 -0.35 0.00 2.96 0.72 -0.73 118.68 123.50 2r38 s LEU 23 Ca -0.07 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2r38 s LEU 23 Cb -0.03 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.27 2r38 s LEU 23 CO -0.03 -0.03 1.27 -0.76 -1.32 0.00 0.00 176.35 175.48 2r38 s LEU 24 N 1.19 3.79 -0.31 -0.68 1.43 -0.16 -1.14 118.68 122.80 2r38 s LEU 24 Ca 0.16 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2r38 s LEU 24 Cb -0.14 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2r38 s LEU 24 CO 0.07 -1.15 0.02 -0.62 0.23 0.00 0.00 176.35 174.90 2r38 s ASP 25 N 2.83 4.43 0.03 2.29 -1.08 -0.34 -4.78 116.67 120.05 2r38 s ASP 25 Ca 0.55 -1.80 0.28 0.00 -0.52 0.00 0.00 52.55 51.06 2r38 s ASP 25 Cb -0.14 -1.39 1.16 0.00 -1.46 0.00 0.00 42.92 41.09 2r38 s ASP 25 CO 0.25 -0.34 1.89 0.35 0.52 0.00 0.00 175.17 177.85 2r38 n THR 26 N 4.46 0.12 0.16 1.71 -2.24 -1.26 -2.64 114.28 114.58 2r38 n THR 26 Ca -0.02 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 2r38 n THR 26 Cb 0.42 -0.53 0.13 0.00 -2.10 0.00 0.00 70.33 68.25 2r38 n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r38 h GLY 27 N 4.84 0.00 -5.15 3.38 0.00 -1.95 -3.45 103.07 100.75 2r38 h GLY 27 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2r38 h GLY 27 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 176.54 177.18 2r38 s ALA 28 N -3.16 3.60 0.28 3.60 0.00 -1.08 -4.92 121.76 120.08 2r38 s ALA 28 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2r38 s ALA 28 Cb 0.08 -3.44 0.39 0.00 0.00 0.00 0.00 23.12 20.16 2r38 s ALA 28 CO 0.72 -0.88 1.82 -0.44 0.00 0.00 0.00 175.76 176.99 2r38 h ASP 29 N 7.39 0.78 -5.10 0.00 3.32 -1.87 0.27 116.42 121.22 2r38 h ASP 29 Ca -0.24 -0.14 -0.61 0.00 0.02 0.00 0.00 57.03 56.06 2r38 h ASP 29 Cb 1.09 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.34 2r38 h ASP 29 CO 0.92 0.76 -0.42 0.47 -1.72 0.00 0.00 179.24 179.25 2r38 n ASP 30 N -4.28 3.20 -4.34 6.45 9.92 -1.26 -2.49 116.55 123.76 2r38 n ASP 30 Ca 0.04 -3.05 -0.35 0.00 -0.53 0.00 0.00 54.79 50.89 2r38 n ASP 30 Cb 0.22 0.26 -0.14 0.00 -0.64 0.00 0.00 41.12 40.83 2r38 n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2r38 s THR 31 N -2.71 3.56 -0.14 -3.53 2.01 -1.26 -2.47 115.64 111.10 2r38 s THR 31 Ca 0.06 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2r38 s THR 31 Cb -0.00 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2r38 s THR 31 CO 0.04 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.56 2r38 s VAL 32 N 1.50 1.45 0.23 3.82 1.01 -0.68 0.05 120.40 127.77 2r38 s VAL 32 Ca 0.06 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2r38 s VAL 32 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2r38 s VAL 32 CO -0.02 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.73 2r38 s LEU 33 N 1.52 3.14 0.79 3.92 1.43 0.10 -0.93 118.68 128.66 2r38 s LEU 33 Ca 0.05 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2r38 s LEU 33 Cb -0.13 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2r38 s LEU 33 CO -0.10 0.05 0.75 -0.62 0.23 0.00 0.00 176.35 176.66 2r38 n GLU 34 N -0.49 0.19 -1.58 1.70 1.02 -1.26 -1.87 120.64 118.36 2r38 n GLU 34 Ca -0.08 0.12 -0.61 0.00 -0.02 0.00 0.00 57.16 56.57 2r38 n GLU 34 Cb 0.57 -2.06 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 2r38 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r38 n GLU 35 N -1.76 0.10 -3.71 3.49 4.07 -1.25 -4.65 120.64 116.93 2r38 n GLU 35 Ca 0.11 0.04 -0.05 0.00 -0.06 0.00 0.00 57.16 57.19 2r38 n GLU 35 Cb 0.51 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 30.32 2r38 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2r38 s MET 36 N 0.92 1.23 -0.09 5.31 0.23 -1.26 -5.05 119.30 120.58 2r38 s MET 36 Ca 0.95 -0.64 -0.16 0.00 -1.03 0.00 0.00 55.69 54.81 2r38 s MET 36 Cb -1.31 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.39 2r38 s MET 36 CO 0.63 -0.56 0.40 0.45 -2.03 0.00 0.00 175.02 173.91 2r38 s SER 37 N -2.85 6.64 0.11 -1.18 0.15 -1.26 -5.08 113.70 110.24 2r38 s SER 37 Ca 0.10 0.76 0.04 0.00 0.70 0.00 0.00 55.95 57.56 2r38 s SER 37 Cb -0.02 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2r38 s SER 37 CO 0.00 0.14 -0.11 -0.76 1.20 0.00 0.00 173.24 173.71 2r38 s LEU 38 N 0.03 2.43 0.58 3.45 1.43 -1.26 -4.96 118.68 120.39 2r38 s LEU 38 Ca 0.22 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 2r38 s LEU 38 Cb -0.15 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 2r38 s LEU 38 CO 0.09 -0.26 1.03 -2.16 0.23 0.00 0.00 176.35 175.28 2r38 s PRO 39 N -2.94 3.53 0.79 1.29 0.04 -1.26 -4.96 135.00 131.49 2r38 s PRO 39 Ca 0.08 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2r38 s PRO 39 Cb -0.02 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2r38 s PRO 39 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2r38 n GLY 40 N -1.59 -1.81 3.91 0.56 0.00 -1.26 -4.91 105.19 100.08 2r38 n GLY 40 Ca 0.07 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2r38 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r38 s ARG 41 N 0.00 3.59 0.37 1.61 0.52 -1.26 -5.11 118.95 118.67 2r38 s ARG 41 Ca 0.00 -0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2r38 s ARG 41 Cb 0.00 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.57 2r38 s ARG 41 CO 0.00 0.44 0.04 1.67 0.02 0.00 0.00 175.30 177.47 2r38 s TRP 42 N -1.73 2.54 0.16 -0.53 1.48 -1.26 -4.69 118.94 114.90 2r38 s TRP 42 Ca 0.40 -0.52 0.07 0.00 -1.06 0.00 0.00 56.10 55.00 2r38 s TRP 42 Cb -0.12 -1.63 -0.04 0.00 -1.16 0.00 0.00 33.47 30.52 2r38 s TRP 42 CO 0.26 0.42 -0.14 0.15 -4.06 0.00 0.00 176.95 173.58 2r38 s LYS 43 N -3.74 1.17 0.31 3.25 -0.14 -0.31 -4.91 119.74 115.37 2r38 s LYS 43 Ca 0.36 -1.40 -0.27 0.00 -1.36 0.00 0.00 55.97 53.30 2r38 s LYS 43 Cb 0.03 -1.02 -0.10 0.00 -1.68 0.00 0.00 37.83 35.07 2r38 s LYS 43 CO 0.19 0.18 0.96 -1.25 -0.76 0.00 0.00 175.35 174.68 2r38 s PRO 44 N -3.12 4.60 -0.09 -1.68 0.04 -1.26 -0.40 135.00 133.10 2r38 s PRO 44 Ca 0.15 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2r38 s PRO 44 Cb -0.03 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2r38 s PRO 44 CO 0.04 0.29 0.24 0.21 0.04 0.00 0.00 177.00 177.82 2r38 s LYS 45 N -1.89 0.29 -0.19 4.56 2.20 -1.00 -4.87 119.74 118.84 2r38 s LYS 45 Ca 0.49 0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 56.36 2r38 s LYS 45 Cb -0.21 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 2r38 s LYS 45 CO 0.26 -0.04 0.03 -1.64 -0.36 0.00 0.00 175.35 173.61 2r38 s MET 46 N 0.09 3.80 0.09 4.03 -1.94 -1.26 0.61 119.30 124.72 2r38 s MET 46 Ca -0.00 -0.43 0.09 0.00 -1.71 0.00 0.00 55.69 53.63 2r38 s MET 46 Cb -0.02 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 2r38 s MET 46 CO 0.00 0.16 -0.23 0.96 -0.01 0.00 0.00 175.02 175.91 2r38 s ILE 47 N 0.63 1.87 -0.25 2.53 -4.36 -0.17 -4.94 121.20 116.51 2r38 s ILE 47 Ca 0.01 -1.50 -0.06 0.00 -0.26 0.00 0.00 60.65 58.84 2r38 s ILE 47 Cb -0.14 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 2r38 s ILE 47 CO 0.02 0.07 0.03 -0.83 0.24 0.00 0.00 174.94 174.47 2r38 s GLY 48 N -1.72 1.72 0.14 6.27 0.00 -1.26 -0.82 107.32 111.64 2r38 s GLY 48 Ca 0.09 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.57 2r38 s GLY 48 CO 0.04 0.54 0.10 0.61 0.00 0.00 0.00 173.10 174.39 2r38 n GLY 49 N 4.86 3.00 0.35 0.20 0.00 0.22 -4.96 105.19 108.86 2r38 n GLY 49 Ca -0.16 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.71 2r38 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2r38 h ILE 50 N 0.56 1.04 -0.25 -0.61 2.10 -2.04 -2.35 117.51 115.95 2r38 h ILE 50 Ca -0.09 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2r38 h ILE 50 Cb 0.33 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.21 2r38 h ILE 50 CO 0.15 0.15 0.00 0.61 -1.08 0.00 0.00 178.15 177.97 2r38 n GLY 51 N -1.44 1.11 0.00 8.18 0.00 -1.26 -5.04 105.19 106.74 2r38 n GLY 51 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2r38 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r38 n GLY 52 N 1.36 0.32 3.85 -0.02 0.00 -0.89 -5.10 105.19 104.71 2r38 n GLY 52 Ca 0.18 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 2r38 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r38 s PHE 53 N -1.27 3.65 0.06 1.61 0.40 -1.26 -0.61 117.98 120.56 2r38 s PHE 53 Ca 0.00 0.89 -0.00 0.00 -0.60 0.00 0.00 56.93 57.22 2r38 s PHE 53 Cb 0.00 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2r38 s PHE 53 CO 0.00 0.58 -0.04 0.96 0.70 0.00 0.00 175.22 177.42 2r38 s ILE 54 N -1.25 0.30 0.05 0.64 -4.36 -0.00 -4.95 121.20 111.63 2r38 s ILE 54 Ca 0.29 -1.79 -0.25 0.00 -0.26 0.00 0.00 60.65 58.64 2r38 s ILE 54 Cb -0.15 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 2r38 s ILE 54 CO 0.16 -0.95 0.78 -1.59 0.24 0.00 0.00 174.94 173.58 2r38 s LYS 55 N -3.78 4.51 0.40 0.37 -2.85 -1.26 -1.00 119.74 116.14 2r38 s LYS 55 Ca 0.07 1.09 0.04 0.00 -1.00 0.00 0.00 55.97 56.16 2r38 s LYS 55 Cb 0.07 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.44 2r38 s LYS 55 CO -0.09 0.27 0.11 0.14 0.10 0.00 0.00 175.35 175.88 2r38 s VAL 56 N -0.03 0.75 -0.19 1.79 -7.23 0.20 -4.90 120.40 110.78 2r38 s VAL 56 Ca 0.39 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 2r38 s VAL 56 Cb -0.21 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2r38 s VAL 56 CO 0.23 0.00 0.13 -0.13 -0.31 0.00 0.00 175.10 175.03 2r38 s ARG 57 N -3.76 4.12 -0.24 4.82 0.52 -0.30 -2.37 118.95 121.74 2r38 s ARG 57 Ca 0.25 -0.21 -0.07 0.00 -0.52 0.00 0.00 55.73 55.18 2r38 s ARG 57 Cb 0.04 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 2r38 s ARG 57 CO 0.14 0.34 0.06 -1.14 0.02 0.00 0.00 175.30 174.72 2r38 s GLN 58 N 0.24 3.65 -0.13 3.54 0.74 0.46 -0.45 119.66 127.71 2r38 s GLN 58 Ca 0.09 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 2r38 s GLN 58 Cb -0.11 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 2r38 s GLN 58 CO -0.01 -0.16 -0.11 0.71 -0.55 0.00 0.00 175.29 175.17 2r38 s TYR 59 N 1.53 2.86 0.22 1.67 1.51 -0.36 -1.16 117.35 123.62 2r38 s TYR 59 Ca 0.06 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2r38 s TYR 59 Cb -0.15 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2r38 s TYR 59 CO 0.03 -0.15 0.29 -0.51 -1.11 0.00 0.00 175.55 174.10 2r38 s ASP 60 N 0.32 6.07 -1.44 2.29 1.01 -1.26 -0.69 116.67 122.96 2r38 s ASP 60 Ca -0.09 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.15 2r38 s ASP 60 Cb -0.15 -1.72 0.01 0.00 1.01 0.00 0.00 42.92 42.07 2r38 s ASP 60 CO 0.05 -0.03 0.42 0.00 0.21 0.00 0.00 175.17 175.81 2r38 n GLN 61 N -1.14 -3.12 -3.52 8.23 6.02 -1.17 -4.90 117.38 117.77 2r38 n GLN 61 Ca -0.08 0.38 -0.37 0.00 -0.01 0.00 0.00 57.00 56.91 2r38 n GLN 61 Cb 0.57 -4.51 -0.06 0.00 1.02 0.00 0.00 30.24 27.25 2r38 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2r38 s ILE 62 N -3.94 5.23 0.19 5.09 -1.09 -0.19 -4.71 121.20 121.77 2r38 s ILE 62 Ca 0.06 0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 2r38 s ILE 62 Cb -0.03 -3.67 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 2r38 s ILE 62 CO 0.90 0.45 1.05 -0.76 -1.23 0.00 0.00 174.94 175.35 2r38 s LEU 63 N -0.06 4.53 -0.20 2.97 1.02 -1.26 -1.58 118.68 124.09 2r38 s LEU 63 Ca 0.20 2.03 -0.15 0.00 0.02 0.00 0.00 54.13 56.23 2r38 s LEU 63 Cb -0.14 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.52 2r38 s LEU 63 CO 0.08 -0.12 0.51 -0.51 0.02 0.00 0.00 176.35 176.33 2r38 s ILE 64 N -0.47 -0.01 -0.11 -0.59 2.07 -0.03 -4.49 121.20 117.56 2r38 s ILE 64 Ca 0.47 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.69 2r38 s ILE 64 Cb -0.28 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2r38 s ILE 64 CO 0.34 0.01 0.05 -0.70 -1.91 0.00 0.00 174.94 172.73 2r38 s GLU 65 N 0.73 3.28 -0.21 3.50 2.12 -0.60 -0.40 118.70 127.13 2r38 s GLU 65 Ca -0.04 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2r38 s GLU 65 Cb -0.05 -2.97 0.05 0.00 0.26 0.00 0.00 34.13 31.42 2r38 s GLU 65 CO -0.05 0.65 -0.07 0.42 -0.54 0.00 0.00 175.26 175.67 2r38 s ILE 66 N -0.70 1.48 -1.57 -3.70 1.01 -0.17 -1.62 121.20 115.92 2r38 s ILE 66 Ca 0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2r38 s ILE 66 Cb -0.12 -1.67 0.10 0.00 0.01 0.00 0.00 42.46 40.78 2r38 s ILE 66 CO 0.02 0.03 0.84 0.00 0.00 0.00 0.00 174.94 175.83 2r38 n GLY 68 N -1.60 2.78 3.68 0.00 0.00 -1.26 -5.00 105.19 103.78 2r38 n GLY 68 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2r38 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r38 s HIS 69 N -2.88 3.44 0.11 1.61 4.02 0.01 -5.03 115.29 116.57 2r38 s HIS 69 Ca 0.00 1.19 -0.30 0.00 1.02 0.00 0.00 55.06 56.97 2r38 s HIS 69 Cb 0.00 -2.93 -0.06 0.00 -1.02 0.00 0.00 32.58 28.57 2r38 s HIS 69 CO 0.00 -0.16 1.02 0.15 1.02 0.00 0.00 174.74 176.77 2r38 s LYS 70 N 1.82 4.63 0.22 1.40 1.02 -1.26 -1.00 119.74 126.56 2r38 s LYS 70 Ca 0.36 1.55 0.01 0.00 0.02 0.00 0.00 55.97 57.91 2r38 s LYS 70 Cb -0.17 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 2r38 s LYS 70 CO 0.13 0.11 0.08 0.00 -0.92 0.00 0.00 175.35 174.75 2r38 s ALA 71 N 0.14 1.47 -0.26 5.17 0.00 0.46 -4.94 121.76 123.80 2r38 s ALA 71 Ca 0.49 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2r38 s ALA 71 Cb -0.25 0.97 0.15 0.00 0.00 0.00 0.00 23.12 24.00 2r38 s ALA 71 CO 0.31 -0.45 0.44 0.42 0.00 0.00 0.00 175.76 176.48 2r38 s ILE 72 N -3.83 -0.71 0.00 0.00 1.01 -1.25 -0.85 121.20 115.57 2r38 s ILE 72 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2r38 s ILE 72 Cb 0.07 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2r38 s ILE 72 CO 0.10 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2r38 n GLY 73 N 5.38 1.46 3.71 6.18 0.00 -0.62 -4.79 105.19 116.52 2r38 n GLY 73 Ca -0.02 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2r38 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r38 s THR 74 N -2.42 4.87 -0.10 2.61 2.01 -1.26 -1.03 115.64 120.31 2r38 s THR 74 Ca 0.00 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.98 2r38 s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2r38 s THR 74 CO 0.00 0.19 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.24 2r38 s VAL 75 N 0.87 1.76 -0.04 3.82 1.01 0.13 -4.52 120.40 123.44 2r38 s VAL 75 Ca 0.49 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2r38 s VAL 75 Cb -0.21 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2r38 s VAL 75 CO 0.26 0.49 0.17 -0.76 0.00 0.00 0.00 175.10 175.26 2r38 s LEU 76 N 0.63 4.36 -0.11 3.92 1.43 0.11 -1.22 118.68 127.79 2r38 s LEU 76 Ca -0.13 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2r38 s LEU 76 Cb -0.16 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2r38 s LEU 76 CO 0.04 0.31 -0.17 -0.69 0.23 0.00 0.00 176.35 176.06 2r38 s VAL 77 N -1.24 1.62 -0.69 -1.59 1.01 0.41 -0.72 120.40 119.20 2r38 s VAL 77 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2r38 s VAL 77 Cb -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2r38 s VAL 77 CO 0.14 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2r38 n GLY 78 N 4.13 -1.32 2.86 4.51 0.00 -0.78 -1.15 105.19 113.43 2r38 n GLY 78 Ca -0.19 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2r38 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r38 n PRO 79 N -0.10 2.94 -3.36 1.61 -0.04 -1.26 -3.97 135.00 130.82 2r38 n PRO 79 Ca 0.00 -2.75 -0.36 0.00 -0.04 0.00 0.00 63.50 60.35 2r38 n PRO 79 Cb 0.00 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 2r38 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r38 s THR 80 N 3.17 4.86 0.49 0.52 -1.32 -1.26 -4.98 115.64 117.11 2r38 s THR 80 Ca 0.47 0.87 0.17 0.00 -1.21 0.00 0.00 61.69 61.99 2r38 s THR 80 Cb 0.12 -3.75 0.24 0.00 -1.51 0.00 0.00 72.50 67.60 2r38 s THR 80 CO -0.06 0.30 2.09 1.55 -2.21 0.00 0.00 174.62 176.28 2r38 h PRO 81 N 3.73 0.00 -2.64 7.08 0.13 -1.97 -3.44 132.00 134.89 2r38 h PRO 81 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2r38 h PRO 81 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2r38 h PRO 81 CO 0.65 0.08 0.06 0.54 -0.23 0.00 0.00 178.00 179.11 2r38 s VAL 82 N -4.79 0.02 0.00 1.56 0.11 -1.26 -5.12 120.40 110.92 2r38 s VAL 82 Ca -0.04 -0.19 -0.33 0.00 -2.93 0.00 0.00 61.98 58.48 2r38 s VAL 82 Cb 0.16 -0.96 -0.12 0.00 -1.53 0.00 0.00 36.38 33.93 2r38 s VAL 82 CO 0.66 -0.11 1.83 0.59 -3.33 0.00 0.00 175.10 174.75 2r38 n ASN 83 N 0.51 3.55 -4.24 3.54 3.02 -1.26 -4.84 115.26 115.54 2r38 n ASN 83 Ca -0.19 0.99 -0.29 0.00 -0.03 0.00 0.00 54.58 55.06 2r38 n ASN 83 Cb 0.60 -1.42 -0.16 0.00 -0.61 0.00 0.00 39.78 38.18 2r38 n ASN 83 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2r38 s VAL 84 N 3.36 1.82 -0.40 2.41 -7.23 -0.10 -0.20 120.40 120.06 2r38 s VAL 84 Ca 0.88 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 2r38 s VAL 84 Cb -0.63 -1.52 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2r38 s VAL 84 CO 0.46 0.51 0.27 -0.63 -0.31 0.00 0.00 175.10 175.40 2r38 s ILE 85 N -0.35 4.97 0.43 -0.62 -1.09 -0.29 -1.69 121.20 122.55 2r38 s ILE 85 Ca 0.04 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2r38 s ILE 85 Cb -0.11 -3.78 0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2r38 s ILE 85 CO 0.01 -0.30 0.59 0.61 -1.23 0.00 0.00 174.94 174.63 2r38 n GLY 86 N 5.09 1.54 0.25 6.18 0.00 -1.03 -1.20 105.19 116.02 2r38 n GLY 86 Ca -0.11 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.86 2r38 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r38 h ARG 87 N 0.00 0.00 -0.89 1.61 3.08 -0.86 -1.04 114.38 116.27 2r38 h ARG 87 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2r38 h ARG 87 Cb 0.85 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 2r38 h ARG 87 CO 0.26 0.11 0.56 -2.95 -1.07 0.00 0.00 179.97 176.88 2r38 h ASN 88 N 0.00 1.05 0.32 7.04 -1.07 -1.76 -0.49 115.58 120.67 2r38 h ASN 88 Ca -0.00 -0.05 -0.32 0.00 0.07 0.00 0.00 56.30 56.00 2r38 h ASN 88 Cb 0.22 -0.26 -0.05 0.00 -2.07 0.00 0.00 38.32 36.15 2r38 h ASN 88 CO 0.01 0.79 -1.93 0.18 0.07 0.00 0.00 177.43 176.55 2r38 n LEU 89 N -4.38 0.84 -0.36 6.14 4.77 -0.96 -3.56 117.00 119.49 2r38 n LEU 89 Ca 0.10 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 2r38 n LEU 89 Cb 0.04 0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2r38 n LEU 89 CO 0.37 0.47 1.26 -0.07 -1.33 0.00 0.00 177.39 178.09 2r38 h LEU 90 N 0.01 1.02 -0.87 2.23 3.38 -1.08 -1.91 115.31 118.08 2r38 h LEU 90 Ca -0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 2r38 h LEU 90 Cb 2.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 2r38 h LEU 90 CO 0.06 0.68 0.00 0.71 0.09 0.00 0.00 178.44 179.98 2r38 h THR 91 N 1.18 1.25 -0.58 0.22 1.35 -1.22 -0.62 112.91 114.48 2r38 h THR 91 Ca 0.40 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2r38 h THR 91 Cb 0.08 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 2r38 h THR 91 CO -0.15 0.36 0.30 1.56 -0.25 0.00 0.00 175.52 177.35 2r38 h GLN 92 N 0.78 0.81 -0.16 4.72 4.20 -1.42 -1.43 115.11 122.61 2r38 h GLN 92 Ca 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2r38 h GLN 92 Cb 0.47 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2r38 h GLN 92 CO 0.02 0.61 0.00 0.44 -0.67 0.00 0.00 178.83 179.23 2r38 n ILE 93 N -4.38 0.20 -1.06 2.54 -5.35 -0.80 -4.91 119.36 105.59 2r38 n ILE 93 Ca 0.05 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2r38 n ILE 93 Cb 0.11 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2r38 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r38 n GLY 94 N 1.23 0.75 3.74 3.28 0.00 -0.54 -5.04 105.19 108.62 2r38 n GLY 94 Ca 0.17 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 2r38 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r38 s THR 96 N -0.04 1.27 -0.11 0.00 -4.23 -1.26 -4.58 115.64 106.69 2r38 s THR 96 Ca 0.41 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 2r38 s THR 96 Cb -0.21 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 2r38 s THR 96 CO 0.25 -0.31 0.26 -0.76 -0.54 0.00 0.00 174.62 173.53 2r38 s LEU 97 N -3.36 4.35 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.50 2r38 s LEU 97 Ca 0.29 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2r38 s LEU 97 Cb 0.05 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2r38 s LEU 97 CO 0.10 0.26 -0.02 0.20 0.23 0.00 0.00 176.35 177.12 2r38 s ASN 98 N -0.41 0.57 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.96 2r38 s ASN 98 Ca 0.17 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2r38 s ASN 98 Cb -0.13 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 2r38 s ASN 98 CO 0.06 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.77