#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 3.65 -0.18 0.54 0.74 -1.26 -5.10 119.66 118.06 2r38 s GLN 2 Ca 0.00 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 2r38 s GLN 2 Cb 0.00 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 2r38 s GLN 2 CO 0.00 -0.20 -0.06 0.42 -0.55 0.00 0.00 175.29 174.90 2r38 s ILE 3 N 1.62 3.46 0.67 -2.34 1.01 -1.26 -5.10 121.20 119.27 2r38 s ILE 3 Ca 0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 2r38 s ILE 3 Cb -0.15 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2r38 s ILE 3 CO 0.04 0.47 1.09 0.28 0.00 0.00 0.00 174.94 176.82 2r38 s THR 4 N 0.82 3.42 -0.36 2.92 -1.32 -1.26 -5.00 115.64 114.87 2r38 s THR 4 Ca -0.02 0.61 0.12 0.00 -1.21 0.00 0.00 61.69 61.19 2r38 s THR 4 Cb -0.15 -3.14 0.31 0.00 -1.51 0.00 0.00 72.50 68.01 2r38 s THR 4 CO 0.01 -0.46 1.23 0.18 -2.21 0.00 0.00 174.62 173.38 2r38 n LEU 5 N -2.60 2.92 -0.06 9.08 4.77 -1.26 -4.50 117.00 125.35 2r38 n LEU 5 Ca 0.10 -2.52 0.12 0.00 -0.03 0.00 0.00 56.01 53.67 2r38 n LEU 5 Cb 0.52 -0.32 0.51 0.00 -2.33 0.00 0.00 43.42 41.81 2r38 n LEU 5 CO 0.49 0.66 1.18 -0.50 -1.33 0.00 0.00 177.39 177.90 2r38 h TRP 6 N 1.15 0.40 -2.94 -1.77 4.06 -2.06 -3.43 115.95 111.37 2r38 h TRP 6 Ca 0.00 0.01 -0.45 0.00 2.06 0.00 0.00 58.89 60.51 2r38 h TRP 6 Cb 0.96 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.85 2r38 h TRP 6 CO 0.22 0.20 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.02 2r38 s GLN 7 N -5.37 1.58 0.25 0.49 1.11 -1.26 -5.10 119.66 111.37 2r38 s GLN 7 Ca -0.07 -1.86 -0.30 0.00 0.01 0.00 0.00 55.36 53.14 2r38 s GLN 7 Cb 0.19 -0.83 -0.10 0.00 -1.01 0.00 0.00 33.01 31.26 2r38 s GLN 7 CO 0.74 -0.15 1.46 1.03 0.01 0.00 0.00 175.29 178.38 2r38 s ARG 8 N -3.88 4.25 -1.23 2.91 0.52 -1.26 -4.87 118.95 115.39 2r38 s ARG 8 Ca 0.35 2.33 -0.19 0.00 -0.52 0.00 0.00 55.73 57.70 2r38 s ARG 8 Cb 0.08 -3.10 0.06 0.00 0.52 0.00 0.00 34.95 32.51 2r38 s ARG 8 CO 0.14 -0.45 1.69 -1.25 0.02 0.00 0.00 175.30 175.45 2r38 s PRO 9 N -0.38 3.83 -0.10 3.54 0.04 -1.26 -4.96 135.00 135.71 2r38 s PRO 9 Ca 0.60 -1.76 -0.15 0.00 0.04 0.00 0.00 61.00 59.73 2r38 s PRO 9 Cb -0.43 -5.48 -0.05 0.00 0.04 0.00 0.00 34.50 28.58 2r38 s PRO 9 CO 0.44 -2.33 0.37 -0.51 0.04 0.00 0.00 177.00 175.01 2r38 s LEU 10 N 4.73 4.33 0.15 -3.56 1.43 -1.26 -0.78 118.68 123.73 2r38 s LEU 10 Ca 0.53 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 2r38 s LEU 10 Cb 0.03 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2r38 s LEU 10 CO 0.04 0.16 -0.12 0.68 0.23 0.00 0.00 176.35 177.34 2r38 s VAL 11 N -0.05 1.35 0.09 -1.59 -7.23 0.66 -4.95 120.40 108.68 2r38 s VAL 11 Ca 0.21 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 2r38 s VAL 11 Cb -0.15 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 2r38 s VAL 11 CO 0.09 -0.63 0.39 -0.89 -0.31 0.00 0.00 175.10 173.75 2r38 s THR 12 N -2.93 5.11 0.09 5.32 2.01 -1.26 0.07 115.64 124.05 2r38 s THR 12 Ca 0.16 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.58 2r38 s THR 12 Cb -0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2r38 s THR 12 CO 0.03 0.25 -0.10 0.27 -0.69 0.00 0.00 174.62 174.37 2r38 s ILE 13 N -1.44 0.93 -0.13 1.82 -4.36 0.72 -4.13 121.20 114.61 2r38 s ILE 13 Ca 0.34 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2r38 s ILE 13 Cb -0.14 -1.32 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 2r38 s ILE 13 CO 0.19 -0.54 -0.18 -0.75 0.24 0.00 0.00 174.94 173.90 2r38 s LYS 14 N -2.70 3.20 -0.18 0.37 2.20 -0.27 -0.36 119.74 121.99 2r38 s LYS 14 Ca 0.05 -0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 2r38 s LYS 14 Cb -0.03 -2.51 0.06 0.00 -1.51 0.00 0.00 37.83 33.84 2r38 s LYS 14 CO 0.00 0.12 0.43 -1.50 -0.36 0.00 0.00 175.35 174.05 2r38 s ILE 15 N 0.53 -0.11 -1.03 5.43 2.07 0.61 -1.34 121.20 127.36 2r38 s ILE 15 Ca -0.11 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2r38 s ILE 15 Cb -0.16 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.78 2r38 s ILE 15 CO 0.04 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2r38 n GLY 16 N 4.42 0.90 3.12 1.50 0.00 -1.26 -0.55 105.19 113.31 2r38 n GLY 16 Ca -0.21 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.58 1.87 3.88 -0.02 0.00 -1.26 -5.01 105.19 103.07 2r38 n GLY 17 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2r38 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r38 s GLN 18 N -0.04 3.70 -0.11 1.61 -0.21 0.29 -5.10 119.66 119.79 2r38 s GLN 18 Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 55.36 55.37 2r38 s GLN 18 Cb 0.00 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 2r38 s GLN 18 CO 0.00 0.52 0.16 -0.51 -2.12 0.00 0.00 175.29 173.34 2r38 s LEU 19 N -2.22 4.39 -0.01 2.90 1.43 -1.26 -0.28 118.68 123.63 2r38 s LEU 19 Ca 0.36 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 2r38 s LEU 19 Cb -0.13 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2r38 s LEU 19 CO 0.20 0.39 0.20 -0.54 0.23 0.00 0.00 176.35 176.83 2r38 s LYS 20 N -0.96 0.53 0.05 1.70 1.02 0.52 -4.96 119.74 117.65 2r38 s LYS 20 Ca 0.15 -0.29 -0.19 0.00 0.02 0.00 0.00 55.97 55.66 2r38 s LYS 20 Cb -0.12 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 2r38 s LYS 20 CO 0.05 -0.13 0.55 -1.83 -0.92 0.00 0.00 175.35 173.07 2r38 s GLU 21 N -1.29 4.19 -0.00 1.68 4.04 -1.26 -0.20 118.70 125.86 2r38 s GLU 21 Ca -0.14 0.70 -0.12 0.00 0.04 0.00 0.00 54.97 55.46 2r38 s GLU 21 Cb -0.07 -3.25 0.01 0.00 0.02 0.00 0.00 34.13 30.84 2r38 s GLU 21 CO 0.02 0.60 0.24 0.00 -1.84 0.00 0.00 175.26 174.28 2r38 s ALA 22 N -0.96 -0.59 -0.19 -0.84 0.00 0.11 -4.71 121.76 114.59 2r38 s ALA 22 Ca 0.29 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 2r38 s ALA 22 Cb -0.19 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2r38 s ALA 22 CO 0.18 -0.25 0.77 -1.17 0.00 0.00 0.00 175.76 175.29 2r38 s LEU 23 N -1.42 4.15 -0.44 0.00 2.96 -0.53 -0.25 118.68 123.15 2r38 s LEU 23 Ca -0.13 1.04 -0.28 0.00 -0.22 0.00 0.00 54.13 54.54 2r38 s LEU 23 Cb -0.06 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2r38 s LEU 23 CO 0.03 -0.39 1.64 -0.76 -1.32 0.00 0.00 176.35 175.55 2r38 s LEU 24 N 2.22 3.48 -0.31 -0.68 1.43 0.04 -0.88 118.68 123.99 2r38 s LEU 24 Ca 0.35 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 2r38 s LEU 24 Cb -0.16 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.86 2r38 s LEU 24 CO 0.11 -1.74 0.03 -0.62 0.23 0.00 0.00 176.35 174.36 2r38 s ASP 25 N 5.53 4.36 0.16 2.29 -1.08 -0.31 -4.80 116.67 122.82 2r38 s ASP 25 Ca 0.68 -1.77 0.20 0.00 -0.52 0.00 0.00 52.55 51.13 2r38 s ASP 25 Cb -0.16 -1.33 0.83 0.00 -1.46 0.00 0.00 42.92 40.80 2r38 s ASP 25 CO 0.30 -0.35 1.60 0.35 0.52 0.00 0.00 175.17 177.60 2r38 n THR 26 N 4.51 0.91 0.14 1.71 -2.24 -1.26 -2.18 114.28 115.88 2r38 n THR 26 Ca -0.02 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 2r38 n THR 26 Cb 0.42 -1.11 0.06 0.00 -2.10 0.00 0.00 70.33 67.60 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 2.28 0.00 -5.68 3.38 0.00 -1.94 -3.45 103.07 97.66 2r38 h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2r38 h GLY 27 CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 176.54 176.95 2r38 s ALA 28 N -3.18 3.60 0.23 3.60 0.00 -0.93 -4.94 121.76 120.15 2r38 s ALA 28 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 2r38 s ALA 28 Cb 0.07 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 20.17 2r38 s ALA 28 CO 0.74 -0.80 1.80 -0.44 0.00 0.00 0.00 175.76 177.06 2r38 h ASP 29 N 7.55 1.06 -3.39 0.00 3.32 -1.87 -0.56 116.42 122.53 2r38 h ASP 29 Ca -0.26 -0.16 -0.44 0.00 0.02 0.00 0.00 57.03 56.19 2r38 h ASP 29 Cb 1.11 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.24 2r38 h ASP 29 CO 0.85 0.93 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.75 2r38 s ASP 30 N -6.38 2.46 0.15 6.45 1.01 -1.26 -1.98 116.67 117.11 2r38 s ASP 30 Ca -0.12 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 51.85 2r38 s ASP 30 Cb 0.16 -0.12 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 2r38 s ASP 30 CO 0.83 -0.17 1.29 -0.89 0.21 0.00 0.00 175.17 176.44 2r38 s THR 31 N -2.83 3.47 -0.09 -1.27 2.01 -1.26 -3.91 115.64 111.76 2r38 s THR 31 Ca 0.20 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.34 2r38 s THR 31 Cb -0.01 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2r38 s THR 31 CO 0.06 0.13 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.36 2r38 s VAL 32 N 0.54 0.92 0.10 3.82 1.01 -0.53 -0.60 120.40 125.66 2r38 s VAL 32 Ca 0.58 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2r38 s VAL 32 Cb -0.34 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2r38 s VAL 32 CO 0.34 0.34 -0.20 -0.76 0.00 0.00 0.00 175.10 174.82 2r38 s LEU 33 N 1.49 2.30 0.98 3.92 1.43 0.05 -0.82 118.68 128.03 2r38 s LEU 33 Ca 0.00 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 2r38 s LEU 33 Cb -0.13 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.35 2r38 s LEU 33 CO -0.05 0.03 0.55 -1.84 0.23 0.00 0.00 176.35 175.27 2r38 n GLU 34 N 1.09 -0.60 -1.61 1.70 0.28 -1.25 -1.73 120.64 118.51 2r38 n GLU 34 Ca -0.20 -0.13 -0.53 0.00 -0.16 0.00 0.00 57.16 56.15 2r38 n GLU 34 Cb 0.54 -1.96 -0.06 0.00 1.43 0.00 0.00 31.44 31.38 2r38 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2r38 n GLU 35 N -2.45 1.19 -3.56 3.44 -0.58 -1.20 -4.47 120.64 113.01 2r38 n GLU 35 Ca 0.07 0.43 -0.09 0.00 -0.42 0.00 0.00 57.16 57.15 2r38 n GLU 35 Cb 0.54 -2.09 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 2r38 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r38 s MET 36 N 1.03 1.28 0.16 3.49 0.23 -1.26 -5.02 119.30 119.22 2r38 s MET 36 Ca 0.87 -0.56 -0.18 0.00 -1.03 0.00 0.00 55.69 54.79 2r38 s MET 36 Cb -0.96 0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 32.80 2r38 s MET 36 CO 0.50 -0.57 0.63 0.45 -2.03 0.00 0.00 175.02 174.00 2r38 s SER 37 N -2.75 6.98 0.03 -1.18 0.15 -1.26 -5.01 113.70 110.66 2r38 s SER 37 Ca 0.05 1.27 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 2r38 s SER 37 Cb -0.02 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 2r38 s SER 37 CO -0.07 0.11 -0.01 -0.76 1.20 0.00 0.00 173.24 173.72 2r38 s LEU 38 N -1.78 2.21 0.43 3.45 1.43 -1.26 -4.93 118.68 118.23 2r38 s LEU 38 Ca 0.38 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 2r38 s LEU 38 Cb -0.17 0.21 -0.09 0.00 0.03 0.00 0.00 46.19 46.17 2r38 s LEU 38 CO 0.20 -0.39 0.88 -2.16 0.23 0.00 0.00 176.35 175.12 2r38 s PRO 39 N -2.08 4.00 0.49 1.29 0.04 -1.26 -4.96 135.00 132.52 2r38 s PRO 39 Ca -0.10 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2r38 s PRO 39 Cb -0.05 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2r38 s PRO 39 CO -0.03 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2r38 n GLY 40 N -1.04 -1.80 3.88 0.56 0.00 -1.26 -4.97 105.19 100.55 2r38 n GLY 40 Ca 0.05 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 2r38 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2r38 s ARG 41 N 0.00 3.40 0.24 1.61 1.04 -1.26 -5.09 118.95 118.88 2r38 s ARG 41 Ca 0.00 0.62 -0.15 0.00 -1.04 0.00 0.00 55.73 55.16 2r38 s ARG 41 Cb 0.00 -2.09 0.01 0.00 -2.04 0.00 0.00 34.95 30.82 2r38 s ARG 41 CO 0.00 -0.66 0.51 1.67 -0.04 0.00 0.00 175.30 176.77 2r38 s TRP 42 N -3.19 0.19 0.03 5.89 1.48 -1.26 -4.41 118.94 117.67 2r38 s TRP 42 Ca 0.55 -0.56 -0.04 0.00 -1.06 0.00 0.00 56.10 54.99 2r38 s TRP 42 Cb -0.11 0.29 -0.02 0.00 -1.16 0.00 0.00 33.47 32.47 2r38 s TRP 42 CO 0.53 -0.99 0.05 -1.59 -4.06 0.00 0.00 176.95 170.88 2r38 s LYS 43 N -3.97 0.49 0.37 3.25 -2.85 -0.76 -4.91 119.74 111.35 2r38 s LYS 43 Ca 0.18 -0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 2r38 s LYS 43 Cb -0.01 0.19 -0.10 0.00 -2.06 0.00 0.00 37.83 35.85 2r38 s LYS 43 CO 0.06 -0.11 0.99 -1.25 0.10 0.00 0.00 175.35 175.14 2r38 s PRO 44 N -2.21 4.37 -0.01 1.78 0.04 -1.26 0.25 135.00 137.95 2r38 s PRO 44 Ca -0.09 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 2r38 s PRO 44 Cb -0.04 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2r38 s PRO 44 CO -0.03 0.07 0.31 0.21 0.04 0.00 0.00 177.00 177.60 2r38 s LYS 45 N -2.39 0.67 -0.15 4.56 2.20 -0.70 -4.88 119.74 119.05 2r38 s LYS 45 Ca 0.55 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2r38 s LYS 45 Cb -0.19 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2r38 s LYS 45 CO 0.24 -0.19 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.35 2r38 s MET 46 N -1.34 3.59 0.15 4.03 -1.94 -1.26 -0.25 119.30 122.28 2r38 s MET 46 Ca -0.14 -0.55 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 2r38 s MET 46 Cb -0.05 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 2r38 s MET 46 CO 0.04 0.26 -0.18 0.96 -0.01 0.00 0.00 175.02 176.09 2r38 s ILE 47 N 0.30 1.74 0.07 2.53 -4.36 0.03 -4.97 121.20 116.55 2r38 s ILE 47 Ca -0.05 -1.84 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 2r38 s ILE 47 Cb -0.14 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.83 2r38 s ILE 47 CO 0.03 -0.29 0.36 -0.83 0.24 0.00 0.00 174.94 174.46 2r38 s GLY 48 N -2.54 -0.21 0.00 6.27 0.00 -1.26 -0.32 107.32 109.27 2r38 s GLY 48 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2r38 s GLY 48 CO 0.06 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.57 2r38 n GLY 49 N 0.24 3.12 3.68 0.20 0.00 -0.11 -4.97 105.19 107.35 2r38 n GLY 49 Ca -0.17 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 2r38 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r38 n ILE 50 N 0.00 0.02 0.00 -0.61 5.41 -1.26 -0.90 119.36 122.02 2r38 n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2r38 n ILE 50 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 2r38 n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2r38 n GLY 51 N 3.55 2.29 0.00 7.39 0.00 -1.26 -4.95 105.19 112.22 2r38 n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.49 3.52 -0.02 0.00 -0.08 -5.07 105.19 102.04 2r38 n GLY 52 Ca 0.00 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 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 0.00 2.55 0.15 1.61 0.40 -1.26 -0.93 117.98 120.49 2r38 s PHE 53 Ca 0.00 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2r38 s PHE 53 Cb 0.00 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2r38 s PHE 53 CO 0.00 0.48 -0.13 0.96 0.70 0.00 0.00 175.22 177.23 2r38 s ILE 54 N -1.55 1.37 -0.01 0.64 -4.36 0.57 -4.97 121.20 112.88 2r38 s ILE 54 Ca 0.22 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 2r38 s ILE 54 Cb -0.09 -1.74 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 2r38 s ILE 54 CO 0.13 -0.56 0.46 -0.75 0.24 0.00 0.00 174.94 174.46 2r38 s LYS 55 N -3.22 4.09 0.15 0.37 2.20 -1.26 -0.79 119.74 121.28 2r38 s LYS 55 Ca 0.14 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 2r38 s LYS 55 Cb -0.02 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2r38 s LYS 55 CO 0.03 0.55 -0.04 0.14 -0.36 0.00 0.00 175.35 175.67 2r38 s VAL 56 N -0.67 0.80 -0.21 4.02 -7.23 0.66 -4.32 120.40 113.44 2r38 s VAL 56 Ca 0.25 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 2r38 s VAL 56 Cb -0.17 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2r38 s VAL 56 CO 0.14 -0.65 0.14 -0.13 -0.31 0.00 0.00 175.10 174.29 2r38 s ARG 57 N -3.85 4.13 -0.34 4.82 0.52 0.84 -1.72 118.95 123.35 2r38 s ARG 57 Ca 0.19 -0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.00 2r38 s ARG 57 Cb 0.05 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 2r38 s ARG 57 CO 0.01 0.21 0.37 -1.14 0.02 0.00 0.00 175.30 174.77 2r38 s GLN 58 N 0.63 3.59 -0.12 3.54 0.74 0.14 -0.43 119.66 127.75 2r38 s GLN 58 Ca 0.08 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 2r38 s GLN 58 Cb -0.12 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2r38 s GLN 58 CO 0.01 -0.52 -0.00 0.71 -0.55 0.00 0.00 175.29 174.93 2r38 s TYR 59 N 2.05 3.13 0.34 1.67 1.51 -0.31 -1.83 117.35 123.92 2r38 s TYR 59 Ca 0.12 0.03 0.08 0.00 -1.01 0.00 0.00 57.07 56.29 2r38 s TYR 59 Cb -0.16 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 2r38 s TYR 59 CO 0.12 0.27 0.22 -0.51 -1.11 0.00 0.00 175.55 174.54 2r38 s ASP 60 N -0.31 4.97 -1.36 2.29 1.01 -1.26 -0.61 116.67 121.39 2r38 s ASP 60 Ca 0.06 -0.65 -0.01 0.00 0.71 0.00 0.00 52.55 52.66 2r38 s ASP 60 Cb -0.12 -0.83 0.01 0.00 1.01 0.00 0.00 42.92 42.99 2r38 s ASP 60 CO 0.02 -0.34 0.62 0.00 0.21 0.00 0.00 175.17 175.68 2r38 n GLN 61 N -1.27 -4.36 -3.73 8.23 6.02 -1.13 -4.91 117.38 116.23 2r38 n GLN 61 Ca -0.02 0.54 -0.37 0.00 -0.01 0.00 0.00 57.00 57.14 2r38 n GLN 61 Cb 0.61 -4.97 -0.07 0.00 1.02 0.00 0.00 30.24 26.83 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 -3.74 5.38 -0.07 5.09 -1.09 0.33 -4.79 121.20 122.31 2r38 s ILE 62 Ca 0.06 0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.56 2r38 s ILE 62 Cb -0.03 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2r38 s ILE 62 CO 0.84 0.54 0.94 -1.48 -1.23 0.00 0.00 174.94 174.54 2r38 s LEU 63 N -0.50 4.29 0.01 2.97 2.34 -1.26 -1.21 118.68 125.33 2r38 s LEU 63 Ca 0.15 1.49 0.02 0.00 0.06 0.00 0.00 54.13 55.85 2r38 s LEU 63 Cb -0.13 -3.46 -0.01 0.00 -0.56 0.00 0.00 46.19 42.03 2r38 s LEU 63 CO 0.04 -0.33 -0.05 -0.63 -1.06 0.00 0.00 176.35 174.32 2r38 s ILE 64 N 1.51 0.40 -0.10 1.48 1.01 0.63 -4.59 121.20 121.55 2r38 s ILE 64 Ca 0.47 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2r38 s ILE 64 Cb -0.19 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 2r38 s ILE 64 CO 0.21 -0.05 -0.11 -0.70 0.00 0.00 0.00 174.94 174.29 2r38 s GLU 65 N -0.54 3.10 -0.14 2.79 2.12 -0.45 -0.11 118.70 125.47 2r38 s GLU 65 Ca -0.02 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 2r38 s GLU 65 Cb -0.04 -2.59 0.07 0.00 0.26 0.00 0.00 34.13 31.82 2r38 s GLU 65 CO -0.00 0.38 0.19 -1.50 -0.54 0.00 0.00 175.26 173.80 2r38 s ILE 66 N -0.09 -0.30 -1.46 -3.70 2.07 0.12 -1.12 121.20 116.73 2r38 s ILE 66 Ca -0.01 0.12 -0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2r38 s ILE 66 Cb -0.14 -0.49 0.05 0.00 0.13 0.00 0.00 42.46 42.02 2r38 s ILE 66 CO 0.03 -0.03 0.88 0.00 -1.91 0.00 0.00 174.94 173.92 2r38 n GLY 68 N -1.67 0.34 3.86 0.00 0.00 -1.26 -4.98 105.19 101.48 2r38 n GLY 68 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.90 3.58 -0.22 1.61 4.02 0.12 -5.08 115.29 117.42 2r38 s HIS 69 Ca 0.00 0.52 -0.09 0.00 1.02 0.00 0.00 55.06 56.51 2r38 s HIS 69 Cb 0.00 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.58 29.54 2r38 s HIS 69 CO 0.00 0.69 0.11 0.15 1.02 0.00 0.00 174.74 176.71 2r38 s LYS 70 N -0.88 4.00 0.15 1.40 1.02 -1.26 0.12 119.74 124.28 2r38 s LYS 70 Ca 0.15 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 55.88 2r38 s LYS 70 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2r38 s LYS 70 CO 0.04 0.12 -0.13 0.00 -0.92 0.00 0.00 175.35 174.46 2r38 s ALA 71 N 0.84 1.59 -0.09 5.17 0.00 0.85 -4.98 121.76 125.14 2r38 s ALA 71 Ca 0.06 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2r38 s ALA 71 Cb -0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2r38 s ALA 71 CO 0.02 0.03 -0.24 0.42 0.00 0.00 0.00 175.76 175.99 2r38 s ILE 72 N -2.73 2.05 0.00 0.00 -1.09 -1.26 -0.27 121.20 117.91 2r38 s ILE 72 Ca 0.14 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 2r38 s ILE 72 Cb -0.01 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 2r38 s ILE 72 CO 0.03 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 2r38 n GLY 73 N 3.43 0.99 3.75 6.18 0.00 -0.35 -4.88 105.19 114.32 2r38 n GLY 73 Ca -0.19 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.32 4.46 -0.11 2.61 2.01 -1.26 -0.51 115.64 120.52 2r38 s THR 74 Ca 0.00 1.87 0.01 0.00 0.31 0.00 0.00 61.69 63.88 2r38 s THR 74 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2r38 s THR 74 CO 0.00 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 2r38 s VAL 75 N -0.47 1.36 -0.21 3.82 1.01 0.22 -4.18 120.40 121.95 2r38 s VAL 75 Ca 0.41 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 2r38 s VAL 75 Cb -0.23 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2r38 s VAL 75 CO 0.27 0.42 0.53 -0.76 0.00 0.00 0.00 175.10 175.56 2r38 s LEU 76 N 1.13 4.13 -0.12 3.92 1.43 0.23 -1.16 118.68 128.25 2r38 s LEU 76 Ca -0.04 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2r38 s LEU 76 Cb -0.14 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 2r38 s LEU 76 CO -0.03 -0.20 -0.18 -0.69 0.23 0.00 0.00 176.35 175.48 2r38 s VAL 77 N 1.75 2.60 -1.76 -1.59 1.01 0.43 -0.77 120.40 122.07 2r38 s VAL 77 Ca 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2r38 s VAL 77 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2r38 s VAL 77 CO 0.10 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2r38 n GLY 78 N 3.54 -1.35 2.36 4.51 0.00 -0.71 -0.11 105.19 113.42 2r38 n GLY 78 Ca -0.19 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.05 3.07 -2.87 1.61 -0.04 -1.26 -3.24 135.00 132.22 2r38 n PRO 79 Ca 0.00 -1.86 -0.36 0.00 -0.04 0.00 0.00 63.50 61.24 2r38 n PRO 79 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 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 2.38 4.33 -0.79 0.52 -1.32 -1.26 -4.96 115.64 114.55 2r38 s THR 80 Ca 0.61 1.62 0.26 0.00 -1.21 0.00 0.00 61.69 62.97 2r38 s THR 80 Cb 0.17 -3.89 0.26 0.00 -1.51 0.00 0.00 72.50 67.53 2r38 s THR 80 CO -0.05 0.05 1.79 -0.81 -2.21 0.00 0.00 174.62 173.40 2r38 n PRO 81 N 0.32 0.17 -3.69 7.08 -0.04 -1.26 -4.69 135.00 132.88 2r38 n PRO 81 Ca 0.02 0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 2r38 n PRO 81 Cb 0.51 -1.71 -0.16 0.00 -0.04 0.00 0.00 33.50 32.10 2r38 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2r38 s VAL 82 N -3.10 -0.17 0.01 0.52 0.11 -1.26 -5.11 120.40 111.40 2r38 s VAL 82 Ca 0.10 0.32 -0.30 0.00 -2.93 0.00 0.00 61.98 59.17 2r38 s VAL 82 Cb 0.14 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 2r38 s VAL 82 CO 0.53 0.13 1.32 0.20 -3.33 0.00 0.00 175.10 173.95 2r38 s ASN 83 N 1.93 6.93 0.04 3.54 0.01 -1.26 -4.81 114.94 121.32 2r38 s ASN 83 Ca -0.00 2.05 0.04 0.00 -0.71 0.00 0.00 52.86 54.24 2r38 s ASN 83 Cb -0.12 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2r38 s ASN 83 CO -0.05 -0.64 -0.12 0.68 -1.51 0.00 0.00 177.10 175.46 2r38 s VAL 84 N 1.98 0.92 -0.35 1.60 -7.23 -0.00 -1.45 120.40 115.86 2r38 s VAL 84 Ca 0.61 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.62 2r38 s VAL 84 Cb -0.30 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 2r38 s VAL 84 CO 0.26 -0.12 0.40 -0.63 -0.31 0.00 0.00 175.10 174.71 2r38 s ILE 85 N -0.98 5.13 0.68 -0.62 -1.09 -0.06 -1.45 121.20 122.80 2r38 s ILE 85 Ca -0.02 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 2r38 s ILE 85 Cb -0.08 -3.88 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 2r38 s ILE 85 CO 0.01 -0.16 0.96 -0.83 -1.23 0.00 0.00 174.94 173.69 2r38 s GLY 86 N 1.75 1.75 0.42 6.18 0.00 -1.25 -1.16 107.32 115.00 2r38 s GLY 86 Ca 0.13 -1.21 0.16 0.00 0.00 0.00 0.00 44.72 43.80 2r38 s GLY 86 CO 0.12 -0.79 1.89 3.21 0.00 0.00 0.00 173.10 177.53 2r38 h ARG 87 N -0.45 0.42 -0.66 2.90 3.08 -1.03 -0.68 114.38 117.95 2r38 h ARG 87 Ca -0.42 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 59.78 2r38 h ARG 87 Cb 1.30 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2r38 h ARG 87 CO 0.53 0.28 0.46 -2.95 -1.07 0.00 0.00 179.97 177.22 2r38 h ASN 88 N 0.43 0.10 0.00 7.04 -1.07 -1.65 -1.55 115.58 118.88 2r38 h ASN 88 Ca 0.41 0.01 -0.24 0.00 0.07 0.00 0.00 56.30 56.55 2r38 h ASN 88 Cb 0.96 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 37.15 2r38 h ASN 88 CO -0.14 0.05 -1.95 0.18 0.07 0.00 0.00 177.43 175.63 2r38 n LEU 89 N -4.39 0.00 0.00 6.14 4.77 -0.43 -4.49 117.00 118.61 2r38 n LEU 89 Ca 0.13 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 2r38 n LEU 89 Cb 0.66 0.33 0.52 0.00 -2.33 0.00 0.00 43.42 42.59 2r38 n LEU 89 CO 0.36 0.33 1.16 -0.07 -1.33 0.00 0.00 177.39 177.84 2r38 h LEU 90 N 0.00 0.30 -1.02 2.23 3.38 -0.68 -1.43 115.31 118.08 2r38 h LEU 90 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2r38 h LEU 90 Cb 1.79 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 2r38 h LEU 90 CO 0.02 0.19 0.17 0.71 0.09 0.00 0.00 178.44 179.63 2r38 h THR 91 N 0.34 1.23 0.00 0.22 1.35 -1.53 -0.64 112.91 113.88 2r38 h THR 91 Ca 0.19 -0.79 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 2r38 h THR 91 Cb 0.34 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 2r38 h THR 91 CO -0.04 0.30 -0.23 1.56 -0.25 0.00 0.00 175.52 176.85 2r38 h GLN 92 N 0.86 0.00 -0.33 4.72 1.08 -1.49 -0.19 115.11 119.76 2r38 h GLN 92 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2r38 h GLN 92 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2r38 h GLN 92 CO -0.01 0.23 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 2r38 n ILE 93 N -3.73 0.42 -2.13 2.54 -5.35 -1.12 -4.93 119.36 105.06 2r38 n ILE 93 Ca -0.01 -0.59 -0.04 0.00 -0.27 0.00 0.00 62.75 61.83 2r38 n ILE 93 Cb 0.34 0.67 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.35 0.25 3.73 3.28 0.00 -0.08 -5.00 105.19 108.72 2r38 n GLY 94 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 0.06 1.00 0.03 0.00 -4.23 -1.26 -4.67 115.64 106.57 2r38 s THR 96 Ca 0.43 -1.74 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 2r38 s THR 96 Cb -0.22 -1.49 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 2r38 s THR 96 CO 0.26 -0.60 0.62 -0.76 -0.54 0.00 0.00 174.62 173.60 2r38 s LEU 97 N -2.62 4.46 -0.07 4.79 1.43 -1.26 -5.08 118.68 120.33 2r38 s LEU 97 Ca 0.08 1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2r38 s LEU 97 Cb -0.01 -2.97 0.04 0.00 0.03 0.00 0.00 46.19 43.28 2r38 s LEU 97 CO 0.00 0.15 0.14 0.20 0.23 0.00 0.00 176.35 177.06 2r38 s ASN 98 N -0.48 0.12 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.46 2r38 s ASN 98 Ca 0.32 0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.89 2r38 s ASN 98 Cb -0.19 0.18 0.00 0.00 -0.02 0.00 0.00 41.25 41.22 2r38 s ASN 98 CO 0.19 -0.17 0.00 2.22 -2.57 0.00 0.00 177.10 176.77