#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g33 n ASP 2 N 0.00 2.60 -3.64 3.17 -0.08 -1.26 -4.93 116.55 112.41 2g33 n ASP 2 Ca 0.00 -0.01 -0.15 0.00 -1.51 0.00 0.00 54.79 53.12 2g33 n ASP 2 Cb 0.00 -1.49 -0.08 0.00 2.34 0.00 0.00 41.12 41.90 2g33 n ASP 2 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2g33 s ILE 3 N 9.53 0.01 -0.08 5.18 -5.25 -1.26 -5.18 121.20 124.16 2g33 s ILE 3 Ca 1.03 -0.11 -0.01 0.00 -0.99 0.00 0.00 60.65 60.57 2g33 s ILE 3 Cb -0.42 -0.83 -0.03 0.00 2.95 0.00 0.00 42.46 44.13 2g33 s ILE 3 CO 0.35 -0.06 0.00 -0.62 -1.79 0.00 0.00 174.94 172.82 2g33 s ASP 4 N -0.59 5.21 -0.09 4.36 -1.08 -1.26 -5.01 116.67 118.22 2g33 s ASP 4 Ca -0.07 0.12 0.04 0.00 -0.52 0.00 0.00 52.55 52.13 2g33 s ASP 4 Cb -0.03 -1.45 0.26 0.00 -1.46 0.00 0.00 42.92 40.24 2g33 s ASP 4 CO 0.05 0.37 0.96 -2.65 0.52 0.00 0.00 175.17 174.42 2g33 n PRO 5 N 2.05 2.17 0.00 4.34 -0.02 -1.26 -3.94 135.00 138.34 2g33 n PRO 5 Ca -0.18 -1.03 0.00 0.00 -2.02 0.00 0.00 63.50 60.27 2g33 n PRO 5 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2g33 n PRO 5 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2g33 n TYR 6 N 0.17 0.00 0.27 6.00 4.01 -1.26 -4.74 117.16 121.61 2g33 n TYR 6 Ca 0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.92 2g33 n TYR 6 Cb 0.60 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 40.04 2g33 n TYR 6 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2g33 h LYS 7 N 0.00 0.00 0.00 -0.72 3.64 -1.34 2.24 116.57 120.39 2g33 h LYS 7 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g33 h LYS 7 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2g33 h LYS 7 CO 0.00 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 178.67 2g33 h GLU 8 N 0.00 0.00 -1.01 1.90 4.81 -1.83 -3.20 114.58 115.26 2g33 h GLU 8 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 2g33 h GLU 8 Cb 1.06 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.02 2g33 h GLU 8 CO 0.00 0.00 -0.87 1.19 -0.73 0.00 0.00 179.01 178.60 2g33 n PHE 9 N -3.01 2.62 -0.60 0.92 3.01 0.76 -4.94 117.46 116.23 2g33 n PHE 9 Ca 0.02 -2.59 -0.02 0.00 1.01 0.00 0.00 57.45 55.87 2g33 n PHE 9 Cb 0.36 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 2g33 n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g33 n GLY 10 N -0.54 0.18 3.48 1.37 0.00 -1.21 -4.87 105.19 103.60 2g33 n GLY 10 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 2g33 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g33 s ALA 11 N -0.71 2.64 0.15 4.61 0.00 -1.14 -4.99 121.76 122.32 2g33 s ALA 11 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.01 2g33 s ALA 11 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2g33 s ALA 11 CO 0.00 0.03 -0.05 -0.08 0.00 0.00 0.00 175.76 175.65 2g33 s THR 12 N -2.80 0.86 -0.03 0.00 -1.32 -1.26 -1.36 115.64 109.73 2g33 s THR 12 Ca 0.31 -1.99 -0.25 0.00 -1.21 0.00 0.00 61.69 58.54 2g33 s THR 12 Cb 0.02 -1.91 -0.20 0.00 -1.51 0.00 0.00 72.50 68.90 2g33 s THR 12 CO 0.14 -0.67 1.17 1.62 -2.21 0.00 0.00 174.62 174.67 2g33 h VAL 13 N 2.79 1.30 0.00 5.08 3.04 -1.98 -2.51 116.25 123.97 2g33 h VAL 13 Ca -0.36 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.13 2g33 h VAL 13 Cb 1.19 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 2g33 h VAL 13 CO 0.64 0.30 0.56 -0.33 -1.01 0.00 0.00 177.57 177.73 2g33 h GLU 14 N -0.60 0.00 -0.07 4.17 5.08 -2.02 2.04 114.58 123.18 2g33 h GLU 14 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2g33 h GLU 14 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2g33 h GLU 14 CO 0.01 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.91 2g33 n LEU 15 N -2.46 0.80 0.00 1.33 0.00 -0.95 -3.60 117.00 112.13 2g33 n LEU 15 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 56.01 55.68 2g33 n LEU 15 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2g33 n LEU 15 CO 0.06 0.16 0.12 0.18 0.00 0.00 0.00 177.39 177.91 2g33 n LEU 16 N -0.28 0.46 0.23 -1.96 4.77 0.69 -4.32 117.00 116.60 2g33 n LEU 16 Ca 0.16 -0.61 0.14 0.00 -0.03 0.00 0.00 56.01 55.67 2g33 n LEU 16 Cb 0.20 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.03 2g33 n LEU 16 CO 0.13 0.12 0.96 -1.28 -1.33 0.00 0.00 177.39 175.98 2g33 h SER 17 N 0.00 0.00 0.00 -1.43 0.87 -1.61 0.08 113.55 111.46 2g33 h SER 17 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2g33 h SER 17 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2g33 h SER 17 CO 0.00 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.79 2g33 n PHE 18 N -2.51 0.00 -1.67 2.24 0.99 -1.26 -4.62 117.46 110.63 2g33 n PHE 18 Ca -0.02 0.00 -0.48 0.00 -0.00 0.00 0.00 57.45 56.95 2g33 n PHE 18 Cb 0.14 -0.09 -0.05 0.00 -1.00 0.00 0.00 39.48 38.49 2g33 n PHE 18 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2g33 n LEU 19 N -1.16 3.05 -4.67 4.37 4.77 0.01 -4.91 117.00 118.47 2g33 n LEU 19 Ca 0.00 1.04 -0.45 0.00 -0.03 0.00 0.00 56.01 56.57 2g33 n LEU 19 Cb 0.00 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.69 2g33 n LEU 19 CO 0.00 -0.28 1.11 -2.65 -1.33 0.00 0.00 177.39 174.24 2g33 n PRO 20 N 4.74 2.13 -0.25 3.23 -0.02 -1.26 -4.81 135.00 138.76 2g33 n PRO 20 Ca 0.20 0.76 0.05 0.00 -2.02 0.00 0.00 63.50 62.49 2g33 n PRO 20 Cb 0.27 -2.47 0.18 0.00 -0.02 0.00 0.00 33.50 31.45 2g33 n PRO 20 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2g33 h SER 21 N 4.98 0.06 -0.08 2.55 0.02 -1.91 -2.63 113.55 116.55 2g33 h SER 21 Ca -0.45 0.14 -0.69 0.00 -0.84 0.00 0.00 61.79 59.95 2g33 h SER 21 Cb 1.26 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 2g33 h SER 21 CO 0.82 -0.01 2.86 -0.90 -1.14 0.00 0.00 176.83 178.46 2g33 n ASP 22 N -5.13 3.67 0.14 3.07 5.68 -1.26 -3.78 116.55 118.94 2g33 n ASP 22 Ca 0.14 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.62 2g33 n ASP 22 Cb 0.44 -1.56 0.00 0.00 -1.14 0.00 0.00 41.12 38.86 2g33 n ASP 22 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2g33 n PHE 23 N 6.71 -2.65 -1.67 2.11 -0.00 -0.99 -5.08 117.46 115.90 2g33 n PHE 23 Ca 0.51 0.62 -0.43 0.00 -0.00 0.00 0.00 57.45 58.15 2g33 n PHE 23 Cb 0.40 1.32 -0.03 0.00 -0.00 0.00 0.00 39.48 41.16 2g33 n PHE 23 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2g33 n PHE 24 N -3.27 2.49 -1.53 -5.13 3.72 -1.25 -4.91 117.46 107.58 2g33 n PHE 24 Ca 0.00 -0.31 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 2g33 n PHE 24 Cb 0.00 -2.78 0.02 0.00 -0.94 0.00 0.00 39.48 35.78 2g33 n PHE 24 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2g33 n PRO 25 N 7.31 0.87 -1.59 -1.08 -0.02 -1.26 -4.84 135.00 134.38 2g33 n PRO 25 Ca 0.20 0.32 -0.47 0.00 -2.02 0.00 0.00 63.50 61.53 2g33 n PRO 25 Cb 0.39 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2g33 n PRO 25 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2g33 n SER 26 N 0.65 1.43 -0.39 2.55 3.41 -1.26 -4.66 113.62 115.35 2g33 n SER 26 Ca 0.11 1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 59.85 2g33 n SER 26 Cb 0.42 -1.25 0.03 0.00 -0.26 0.00 0.00 64.21 63.14 2g33 n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2g33 n VAL 27 N 1.19 -0.54 -0.34 -3.33 0.31 -1.26 -0.84 118.33 113.51 2g33 n VAL 27 Ca 0.13 2.35 -0.02 0.00 -0.01 0.00 0.00 64.34 66.80 2g33 n VAL 27 Cb 0.27 -3.08 0.03 0.00 -0.91 0.00 0.00 33.84 30.15 2g33 n VAL 27 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2g33 n ARG 28 N -5.45 -0.22 0.10 5.55 3.00 -1.26 0.91 116.66 119.30 2g33 n ARG 28 Ca 0.09 1.36 -0.13 0.00 -0.00 0.00 0.00 57.85 59.17 2g33 n ARG 28 Cb 0.39 -2.02 -0.06 0.00 0.00 0.00 0.00 32.46 30.77 2g33 n ARG 28 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2g33 h ASP 29 N 0.00 -0.99 0.30 6.15 3.32 -1.31 -1.88 116.42 122.01 2g33 h ASP 29 Ca 0.29 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 2g33 h ASP 29 Cb 0.52 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 2g33 h ASP 29 CO -0.87 -0.42 -0.50 -0.07 -1.72 0.00 0.00 179.24 175.65 2g33 h LEU 30 N -0.55 -1.45 -0.50 1.55 4.07 0.83 -0.36 115.31 118.89 2g33 h LEU 30 Ca 0.04 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.20 2g33 h LEU 30 Cb 0.59 0.51 -0.09 0.00 1.08 0.00 0.00 40.66 42.75 2g33 h LEU 30 CO -0.22 -0.60 -0.49 -0.07 -1.08 0.00 0.00 178.44 175.99 2g33 h LEU 31 N -0.86 -1.67 -0.42 1.67 3.38 -0.47 -0.41 115.31 116.54 2g33 h LEU 31 Ca -0.03 0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2g33 h LEU 31 Cb 0.79 0.72 -0.09 0.00 0.09 0.00 0.00 40.66 42.17 2g33 h LEU 31 CO -0.17 -0.37 -0.26 0.44 0.09 0.00 0.00 178.44 178.18 2g33 h ASP 32 N -0.31 -0.87 0.00 -0.43 3.32 -1.20 -2.88 116.42 114.06 2g33 h ASP 32 Ca 0.13 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2g33 h ASP 32 Cb 0.58 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2g33 h ASP 32 CO -0.64 -0.27 0.00 0.41 -1.72 0.00 0.00 179.24 177.01 2g33 n THR 33 N -5.40 0.00 0.00 0.35 -1.04 -0.16 -2.51 114.28 105.52 2g33 n THR 33 Ca 0.02 1.43 0.00 0.00 -2.04 0.00 0.00 64.05 63.46 2g33 n THR 33 Cb 0.32 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2g33 n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g33 n ALA 34 N -2.85 0.00 0.12 2.41 0.00 -0.84 -1.60 120.51 117.75 2g33 n ALA 34 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2g33 n ALA 34 Cb 0.00 0.35 0.27 0.00 0.00 0.00 0.00 19.45 20.06 2g33 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g33 n ALA 35 N -1.84 0.61 -1.19 0.00 0.00 -1.16 -0.39 120.51 116.55 2g33 n ALA 35 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 2g33 n ALA 35 Cb 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 19.45 18.85 2g33 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g33 n ALA 36 N -1.50 5.77 -0.11 0.00 0.00 -0.63 -2.70 120.51 121.35 2g33 n ALA 36 Ca -0.01 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.46 2g33 n ALA 36 Cb 0.29 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2g33 n ALA 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2g33 n LEU 37 N -0.96 0.00 -0.39 0.00 7.94 0.47 -4.96 117.00 119.11 2g33 n LEU 37 Ca 0.58 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 2g33 n LEU 37 Cb 1.23 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.18 2g33 n LEU 37 CO 0.65 0.00 0.24 -1.22 -1.11 0.00 0.00 177.39 175.95 2g33 n TYR 38 N 0.00 0.00 -0.21 1.96 4.02 -0.48 -4.84 117.16 117.61 2g33 n TYR 38 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 2g33 n TYR 38 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2g33 n TYR 38 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2g33 h ARG 39 N 0.00 -0.08 0.12 -0.72 2.43 -1.72 0.74 114.38 115.15 2g33 h ARG 39 Ca 0.00 0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.91 2g33 h ARG 39 Cb 1.26 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2g33 h ARG 39 CO 0.00 -0.05 -1.22 -0.44 -1.51 0.00 0.00 179.97 176.74 2g33 h ASP 40 N -0.09 0.40 0.05 -3.80 3.32 -1.91 -2.79 116.42 111.59 2g33 h ASP 40 Ca 0.28 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2g33 h ASP 40 Cb 0.52 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2g33 h ASP 40 CO -0.68 1.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 2g33 n ALA 41 N -2.52 1.21 0.00 3.45 0.00 -0.02 -3.18 120.51 119.44 2g33 n ALA 41 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2g33 n ALA 41 Cb 1.02 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.43 2g33 n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g33 n LEU 42 N -1.38 0.94 -0.12 0.00 4.77 0.05 -4.48 117.00 116.78 2g33 n LEU 42 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2g33 n LEU 42 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2g33 n LEU 42 CO 0.02 0.16 0.24 -0.62 -1.33 0.00 0.00 177.39 175.85 2g33 n GLU 43 N -1.87 0.55 -2.99 3.23 1.02 -1.06 -4.74 120.64 114.79 2g33 n GLU 43 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2g33 n GLU 43 Cb 0.36 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 2g33 n GLU 43 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2g33 s SER 44 N -1.21 6.95 0.00 1.62 0.15 -1.19 -5.02 113.70 115.00 2g33 s SER 44 Ca 0.00 1.50 0.29 0.00 0.70 0.00 0.00 55.95 58.44 2g33 s SER 44 Cb 0.00 -2.46 1.30 0.00 -1.71 0.00 0.00 66.02 63.15 2g33 s SER 44 CO 0.00 -0.19 1.93 -2.65 1.20 0.00 0.00 173.24 173.53 2g33 n PRO 45 N -0.12 0.30 -3.39 5.44 -0.02 -1.26 -4.79 135.00 131.17 2g33 n PRO 45 Ca 0.03 -0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 2g33 n PRO 45 Cb 0.53 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 2g33 n PRO 45 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2g33 s GLU 46 N -2.72 3.60 -1.57 -0.52 0.41 -1.26 -4.95 118.70 111.69 2g33 s GLU 46 Ca 0.23 -0.36 -0.10 0.00 -0.41 0.00 0.00 54.97 54.32 2g33 s GLU 46 Cb 0.20 -3.79 -0.05 0.00 -1.78 0.00 0.00 34.13 28.71 2g33 s GLU 46 CO 0.50 -0.52 2.77 -2.39 -0.49 0.00 0.00 175.26 175.13 2g33 n HIS 47 N 5.41 2.65 -0.08 1.61 1.44 -1.26 -4.73 115.22 120.27 2g33 n HIS 47 Ca -0.09 -3.05 0.07 0.00 -2.01 0.00 0.00 57.72 52.64 2g33 n HIS 47 Cb 0.49 -2.45 0.10 0.00 0.12 0.00 0.00 29.99 28.25 2g33 n HIS 47 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2g33 n ALA 48 N 3.92 0.23 -3.88 1.59 0.00 -1.26 -4.50 120.51 116.61 2g33 n ALA 48 Ca 0.72 0.08 0.04 0.00 0.00 0.00 0.00 53.44 54.28 2g33 n ALA 48 Cb 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.58 2g33 n ALA 48 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2g33 s SER 49 N -3.61 -0.00 0.05 0.00 1.04 -1.26 -5.01 113.70 104.91 2g33 s SER 49 Ca -0.01 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.13 2g33 s SER 49 Cb 0.03 0.01 -0.17 0.00 0.10 0.00 0.00 66.02 65.99 2g33 s SER 49 CO 0.11 -0.02 1.51 -0.65 0.98 0.00 0.00 173.24 175.16 2g33 h PRO 50 N 2.00 -0.55 -0.32 4.02 0.11 -2.00 -2.85 132.00 132.41 2g33 h PRO 50 Ca -0.24 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.93 2g33 h PRO 50 Cb 1.18 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 2g33 h PRO 50 CO 0.29 -0.30 -0.19 0.72 -0.21 0.00 0.00 178.00 178.32 2g33 n HIS 51 N -5.29 -0.14 -0.21 0.65 8.25 -1.26 -0.54 115.22 116.68 2g33 n HIS 51 Ca -0.11 0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 57.66 2g33 n HIS 51 Cb 0.27 -0.47 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 2g33 n HIS 51 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2g33 h HIS 52 N 0.00 -1.32 -0.94 4.41 3.86 -1.92 0.40 115.15 119.64 2g33 h HIS 52 Ca 0.05 0.08 0.17 0.00 -1.16 0.00 0.00 60.37 59.51 2g33 h HIS 52 Cb 0.13 0.64 -0.17 0.00 1.06 0.00 0.00 27.41 29.08 2g33 h HIS 52 CO -0.81 -0.31 -0.28 2.41 0.86 0.00 0.00 177.93 179.80 2g33 n THR 53 N -4.64 -0.43 0.00 2.45 -1.04 -0.00 -2.32 114.28 108.29 2g33 n THR 53 Ca -0.00 2.16 0.00 0.00 -2.04 0.00 0.00 64.05 64.17 2g33 n THR 53 Cb 0.22 -2.94 0.00 0.00 -1.82 0.00 0.00 70.33 65.78 2g33 n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g33 n ALA 54 N -3.60 -0.02 -0.09 2.41 0.00 0.30 -3.66 120.51 115.84 2g33 n ALA 54 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2g33 n ALA 54 Cb 0.43 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2g33 n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g33 n LEU 55 N -1.01 0.00 -0.05 0.00 4.32 -0.98 -0.66 117.00 118.62 2g33 n LEU 55 Ca 0.00 0.07 -0.01 0.00 -0.02 0.00 0.00 56.01 56.05 2g33 n LEU 55 Cb 0.00 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 41.78 2g33 n LEU 55 CO 0.00 -0.01 0.06 0.54 -1.22 0.00 0.00 177.39 176.76 2g33 n ARG 56 N -0.92 -0.05 -0.34 3.23 1.74 -1.21 0.30 116.66 119.40 2g33 n ARG 56 Ca 0.00 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.38 2g33 n ARG 56 Cb 0.00 -0.27 0.31 0.00 -1.02 0.00 0.00 32.46 31.48 2g33 n ARG 56 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2g33 h GLN 57 N 0.00 0.67 0.57 5.56 1.08 -0.97 -0.50 115.11 121.51 2g33 h GLN 57 Ca 0.02 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2g33 h GLN 57 Cb 0.05 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2g33 h GLN 57 CO -0.10 0.44 -0.27 0.00 -0.95 0.00 0.00 178.83 177.94 2g33 h ALA 58 N 1.65 -0.76 -0.43 3.87 0.00 0.46 -1.74 119.26 122.30 2g33 h ALA 58 Ca 0.56 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2g33 h ALA 58 Cb 0.90 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2g33 h ALA 58 CO -0.40 -0.79 0.08 0.82 0.00 0.00 0.00 179.25 178.95 2g33 h ILE 59 N -1.04 0.76 -0.40 0.00 5.03 -0.71 -0.27 117.51 120.87 2g33 h ILE 59 Ca -0.08 -0.07 -0.05 0.00 -0.12 0.00 0.00 64.86 64.54 2g33 h ILE 59 Cb 0.65 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 34.96 2g33 h ILE 59 CO 0.13 0.04 0.06 -0.07 -0.68 0.00 0.00 178.15 177.63 2g33 h LEU 60 N 0.21 0.63 -1.79 1.44 3.38 -1.16 3.31 115.31 121.32 2g33 h LEU 60 Ca 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2g33 h LEU 60 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2g33 h LEU 60 CO -0.29 0.73 -0.01 0.00 0.09 0.00 0.00 178.44 178.96 2g33 h ALA 61 N 0.92 1.83 0.09 1.53 0.00 -1.02 -0.06 119.26 122.55 2g33 h ALA 61 Ca 0.12 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 2g33 h ALA 61 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2g33 h ALA 61 CO 0.01 0.13 -1.29 2.35 0.00 0.00 0.00 179.25 180.45 2g33 h TRP 62 N 0.11 0.36 0.00 0.00 2.91 -0.03 -3.10 115.95 116.21 2g33 h TRP 62 Ca 0.03 -0.26 -0.01 0.00 1.13 0.00 0.00 58.89 59.77 2g33 h TRP 62 Cb 0.10 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 2g33 h TRP 62 CO 0.00 1.24 -0.07 0.78 -1.03 0.00 0.00 178.44 179.36 2g33 h GLY 63 N 1.99 0.00 1.88 2.65 0.00 0.70 0.20 103.07 110.49 2g33 h GLY 63 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2g33 h GLY 63 CO 0.17 0.00 -0.10 -0.55 0.00 0.00 0.00 176.54 176.06 2g33 h ASP 64 N 0.00 0.00 0.08 0.19 3.32 -0.99 -2.46 116.42 116.57 2g33 h ASP 64 Ca -0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 2g33 h ASP 64 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2g33 h ASP 64 CO 0.01 0.01 -1.48 -0.07 -1.72 0.00 0.00 179.24 175.99 2g33 h LEU 65 N 0.00 0.27 0.00 1.55 3.38 -0.62 -2.33 115.31 117.56 2g33 h LEU 65 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2g33 h LEU 65 Cb 0.82 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2g33 h LEU 65 CO 0.00 1.63 0.00 0.23 0.09 0.00 0.00 178.44 180.39 2g33 n MET 66 N -3.97 0.46 -0.00 1.13 2.81 -0.14 0.28 117.12 117.68 2g33 n MET 66 Ca -0.28 0.02 0.10 0.00 -1.81 0.00 0.00 57.70 55.72 2g33 n MET 66 Cb 0.87 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.75 2g33 n MET 66 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2g33 n THR 67 N -1.25 0.00 -0.07 2.03 -1.04 -0.92 -4.10 114.28 108.92 2g33 n THR 67 Ca 0.14 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 62.00 2g33 n THR 67 Cb 0.21 0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 69.56 2g33 n THR 67 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2g33 n LEU 68 N -1.58 1.63 -0.52 -4.42 7.94 -0.42 -4.45 117.00 115.18 2g33 n LEU 68 Ca 0.03 0.35 0.41 0.00 -1.11 0.00 0.00 56.01 55.69 2g33 n LEU 68 Cb 0.35 -0.73 0.64 0.00 0.53 0.00 0.00 43.42 44.21 2g33 n LEU 68 CO 0.42 -0.35 1.16 0.00 -1.11 0.00 0.00 177.39 177.51 2g33 n ALA 69 N -4.00 1.42 -2.09 1.96 0.00 0.79 0.25 120.51 118.85 2g33 n ALA 69 Ca -0.11 0.61 -0.39 0.00 0.00 0.00 0.00 53.44 53.55 2g33 n ALA 69 Cb 0.39 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.95 2g33 n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g33 n THR 70 N -3.88 3.97 -1.12 0.00 -2.24 -1.26 -3.30 114.28 106.45 2g33 n THR 70 Ca 0.36 -4.65 0.00 0.00 -2.27 0.00 0.00 64.05 57.49 2g33 n THR 70 Cb 1.55 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2g33 n THR 70 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2g33 n TRP 71 N -0.45 0.00 1.20 4.78 -0.00 0.14 -4.73 117.44 118.38 2g33 n TRP 71 Ca 0.52 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 58.14 2g33 n TRP 71 Cb 0.26 0.01 0.28 0.00 -0.00 0.00 0.00 31.31 31.87 2g33 n TRP 71 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2g33 n VAL 72 N 0.00 0.00 0.03 5.87 0.31 -1.18 -3.26 118.33 120.09 2g33 n VAL 72 Ca 0.00 -0.20 0.01 0.00 -0.01 0.00 0.00 64.34 64.14 2g33 n VAL 72 Cb 0.07 0.69 -0.02 0.00 -0.91 0.00 0.00 33.84 33.67 2g33 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2g33 n GLY 73 N 1.34 0.09 0.04 2.92 0.00 -1.26 -4.45 105.19 103.87 2g33 n GLY 73 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 2g33 n GLY 73 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2g33 h THR 74 N 0.00 0.00 -0.85 2.61 2.02 -1.85 -3.38 112.91 111.46 2g33 h THR 74 Ca 0.00 -0.70 -0.55 0.00 0.77 0.00 0.00 66.41 65.93 2g33 h THR 74 Cb 0.10 0.00 -0.23 0.00 -1.74 0.00 0.00 68.15 66.28 2g33 h THR 74 CO 0.00 0.00 0.70 0.59 0.37 0.00 0.00 175.52 177.18 2g33 n ASN 75 N -3.95 7.22 -3.38 4.18 3.02 -1.20 -4.83 115.26 116.32 2g33 n ASN 75 Ca -0.01 -3.51 0.02 0.00 -0.03 0.00 0.00 54.58 51.05 2g33 n ASN 75 Cb 0.03 -1.02 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 2g33 n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2g33 s LEU 76 N -3.05 -0.57 -0.31 3.41 1.43 -1.26 -4.98 118.68 113.34 2g33 s LEU 76 Ca 0.52 0.75 0.18 0.00 -1.03 0.00 0.00 54.13 54.55 2g33 s LEU 76 Cb 0.40 1.64 0.46 0.00 0.03 0.00 0.00 46.19 48.72 2g33 s LEU 76 CO -0.03 -0.11 1.14 -1.84 0.23 0.00 0.00 176.35 175.74 2g33 n GLU 77 N 4.99 1.38 0.00 1.70 0.00 -1.26 -4.36 120.64 123.09 2g33 n GLU 77 Ca -0.09 -2.89 0.00 0.00 0.00 0.00 0.00 57.16 54.19 2g33 n GLU 77 Cb 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 31.44 30.97 2g33 n GLU 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2g33 n ASP 78 N -0.50 0.00 -2.96 -1.84 8.00 -1.26 -5.01 116.55 112.98 2g33 n ASP 78 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2g33 n ASP 78 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2g33 n ASP 78 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2g33 n PRO 79 N 0.00 1.32 -0.39 -0.24 -0.04 -1.26 -4.84 135.00 129.55 2g33 n PRO 79 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2g33 n PRO 79 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 2g33 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g33 n ALA 80 N -3.00 3.58 -0.92 0.55 0.00 -1.26 -4.06 120.51 115.40 2g33 n ALA 80 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.78 2g33 n ALA 80 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.37 2g33 n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2g33 n SER 81 N 0.35 1.36 -0.09 0.00 3.41 -1.26 -4.43 113.62 112.95 2g33 n SER 81 Ca 0.14 -2.17 0.11 0.00 -0.26 0.00 0.00 58.87 56.69 2g33 n SER 81 Cb 0.70 -0.18 0.63 0.00 -0.26 0.00 0.00 64.21 65.10 2g33 n SER 81 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2g33 n ARG 82 N -0.61 1.12 -0.02 4.33 1.85 -1.26 -1.76 116.66 120.31 2g33 n ARG 82 Ca 0.05 -0.19 0.02 0.00 -1.00 0.00 0.00 57.85 56.74 2g33 n ARG 82 Cb 0.51 -1.36 -0.09 0.00 -1.05 0.00 0.00 32.46 30.46 2g33 n ARG 82 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2g33 n ASP 83 N -0.65 2.24 0.10 2.89 8.00 -1.26 -4.57 116.55 123.29 2g33 n ASP 83 Ca 0.17 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.79 2g33 n ASP 83 Cb 0.12 1.30 0.45 0.00 -0.02 0.00 0.00 41.12 42.98 2g33 n ASP 83 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2g33 n LEU 84 N -2.08 0.65 -0.35 0.64 7.94 -0.72 -2.98 117.00 120.10 2g33 n LEU 84 Ca -0.07 0.60 0.02 0.00 -1.11 0.00 0.00 56.01 55.44 2g33 n LEU 84 Cb 0.49 -0.43 0.16 0.00 0.53 0.00 0.00 43.42 44.17 2g33 n LEU 84 CO 0.25 -0.30 1.24 -0.37 -1.11 0.00 0.00 177.39 177.10 2g33 h VAL 85 N 0.00 1.08 0.00 1.96 -1.51 -1.80 -0.60 116.25 115.38 2g33 h VAL 85 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2g33 h VAL 85 Cb 0.56 -0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.59 2g33 h VAL 85 CO 0.00 0.20 0.00 0.52 -1.23 0.00 0.00 177.57 177.06 2g33 n VAL 86 N -4.53 0.00 -0.01 7.19 0.31 -1.16 -2.02 118.33 118.11 2g33 n VAL 86 Ca 0.14 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 2g33 n VAL 86 Cb 0.17 -0.55 0.24 0.00 -0.91 0.00 0.00 33.84 32.80 2g33 n VAL 86 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2g33 n SER 87 N -0.97 3.55 0.00 4.52 2.88 -0.23 -2.90 113.62 120.47 2g33 n SER 87 Ca 0.19 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 2g33 n SER 87 Cb 0.09 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2g33 n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2g33 n TYR 88 N 1.42 0.00 0.00 0.66 9.36 -1.13 -4.57 117.16 122.90 2g33 n TYR 88 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 2g33 n TYR 88 Cb 0.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 2g33 n TYR 88 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2g33 n VAL 89 N -2.22 0.00 0.00 2.97 0.31 -0.86 0.17 118.33 118.70 2g33 n VAL 89 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 2g33 n VAL 89 Cb 0.41 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2g33 n VAL 89 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2g33 n ASN 90 N -0.32 0.00 0.00 4.52 4.13 -1.14 0.11 115.26 122.56 2g33 n ASN 90 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2g33 n ASN 90 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2g33 n ASN 90 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2g33 n THR 91 N -0.15 0.00 -0.01 3.41 -1.04 -1.14 -4.70 114.28 110.64 2g33 n THR 91 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2g33 n THR 91 Cb 0.00 -1.15 -0.12 0.00 -1.82 0.00 0.00 70.33 67.25 2g33 n THR 91 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2g33 n ASN 92 N -2.80 1.59 -0.00 8.00 5.15 0.45 -4.59 115.26 123.05 2g33 n ASN 92 Ca 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2g33 n ASN 92 Cb 0.38 1.58 -0.00 0.00 -0.53 0.00 0.00 39.78 41.21 2g33 n ASN 92 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2g33 n VAL 93 N -2.08 0.00 0.23 3.44 3.14 -0.45 -4.32 118.33 118.30 2g33 n VAL 93 Ca -0.05 -0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.42 2g33 n VAL 93 Cb 0.46 -1.12 0.51 0.00 -1.06 0.00 0.00 33.84 32.63 2g33 n VAL 93 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2g33 h GLY 94 N 0.00 0.00 0.17 7.55 0.00 0.51 0.46 103.07 111.77 2g33 h GLY 94 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2g33 h GLY 94 CO -0.00 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.49 2g33 h LEU 95 N 0.00 -0.13 -2.24 3.11 6.46 -1.80 -1.83 115.31 118.88 2g33 h LEU 95 Ca 0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2g33 h LEU 95 Cb 0.68 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2g33 h LEU 95 CO 0.00 0.47 0.00 0.07 -0.62 0.00 0.00 178.44 178.36 2g33 h LYS 96 N -0.98 0.00 0.00 1.25 2.10 -0.37 0.44 116.57 119.01 2g33 h LYS 96 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2g33 h LYS 96 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2g33 h LYS 96 CO 0.03 0.00 -0.74 0.74 -2.00 0.00 0.00 179.45 177.48 2g33 h PHE 97 N 0.00 0.00 0.13 0.07 0.05 -1.03 -2.62 116.94 113.54 2g33 h PHE 97 Ca 0.00 0.00 -0.26 0.00 3.82 0.00 0.00 57.97 61.53 2g33 h PHE 97 Cb 0.23 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.18 2g33 h PHE 97 CO 0.00 0.00 -1.28 0.00 -0.18 0.00 0.00 178.31 176.85 2g33 h ARG 98 N 0.00 0.28 0.00 1.51 3.08 -0.06 -3.12 114.38 116.07 2g33 h ARG 98 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2g33 h ARG 98 Cb 0.76 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2g33 h ARG 98 CO 0.00 1.23 0.00 1.04 -1.07 0.00 0.00 179.97 181.17 2g33 n GLN 99 N -3.95 0.00 0.00 0.04 6.02 0.13 -1.72 117.38 117.90 2g33 n GLN 99 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 2g33 n GLN 99 Cb 0.90 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 31.83 2g33 n GLN 99 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2g33 n LEU 100 N 0.00 0.00 -0.06 1.08 0.00 -0.99 -0.43 117.00 116.60 2g33 n LEU 100 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 56.01 56.27 2g33 n LEU 100 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 43.42 43.27 2g33 n LEU 100 CO 0.00 -0.13 0.16 -0.11 0.00 0.00 0.00 177.39 177.31 2g33 n LEU 101 N -2.19 -0.16 0.03 -1.96 0.00 -1.18 -0.56 117.00 110.98 2g33 n LEU 101 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 56.01 56.43 2g33 n LEU 101 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 43.42 43.27 2g33 n LEU 101 CO 0.00 -0.31 0.50 -0.25 0.00 0.00 0.00 177.39 177.33 2g33 h TRP 102 N 0.00 -0.31 0.00 1.96 7.01 0.14 -3.29 115.95 121.46 2g33 h TRP 102 Ca 0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2g33 h TRP 102 Cb 0.06 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2g33 h TRP 102 CO -0.33 -0.12 0.00 0.34 -2.79 0.00 0.00 178.44 175.54 2g33 n PHE 103 N -3.04 0.00 0.00 2.65 7.35 0.28 -1.73 117.46 122.97 2g33 n PHE 103 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2g33 n PHE 103 Cb 0.08 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.91 2g33 n PHE 103 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2g33 n HIS 104 N -0.09 0.00 0.00 -5.13 8.25 -1.22 -1.72 115.22 115.31 2g33 n HIS 104 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2g33 n HIS 104 Cb 0.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2g33 n HIS 104 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2g33 n ILE 105 N -0.87 0.00 0.00 1.59 5.41 -0.71 0.35 119.36 125.13 2g33 n ILE 105 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2g33 n ILE 105 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2g33 n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2g33 n SER 106 N -3.81 0.00 0.25 4.38 7.64 -0.70 -1.40 113.62 119.99 2g33 n SER 106 Ca 0.00 0.89 0.11 0.00 1.01 0.00 0.00 58.87 60.88 2g33 n SER 106 Cb 0.00 -0.39 0.56 0.00 -1.01 0.00 0.00 64.21 63.37 2g33 n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g33 h ALA 107 N -1.74 1.29 -0.03 -0.43 0.00 -0.07 1.56 119.26 119.83 2g33 h ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g33 h ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2g33 h ALA 107 CO 0.00 -0.29 0.00 -0.11 0.00 0.00 0.00 179.25 178.85 2g33 n LEU 108 N -2.47 0.28 0.00 0.00 7.94 -0.05 -1.02 117.00 121.68 2g33 n LEU 108 Ca -0.01 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2g33 n LEU 108 Cb 0.38 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2g33 n LEU 108 CO 0.09 0.06 0.00 0.41 -1.11 0.00 0.00 177.39 176.84 2g33 n THR 109 N -0.59 0.00 -1.33 1.96 -1.04 0.48 -4.91 114.28 108.85 2g33 n THR 109 Ca 0.13 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.16 2g33 n THR 109 Cb 0.10 0.78 0.02 0.00 -1.82 0.00 0.00 70.33 69.42 2g33 n THR 109 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2g33 n PHE 110 N 0.00 0.00 -2.03 -1.42 3.01 0.18 -5.05 117.46 112.15 2g33 n PHE 110 Ca 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2g33 n PHE 110 Cb 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 2g33 n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g33 n GLY 111 N -0.24 -5.33 0.37 1.37 0.00 -0.19 -4.00 105.19 97.17 2g33 n GLY 111 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2g33 n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2g33 n ARG 112 N 1.63 -0.29 -0.02 1.61 1.85 -1.24 -0.29 116.66 119.92 2g33 n ARG 112 Ca 0.00 1.42 -0.12 0.00 -1.00 0.00 0.00 57.85 58.15 2g33 n ARG 112 Cb 0.00 -2.10 -0.06 0.00 -1.05 0.00 0.00 32.46 29.26 2g33 n ARG 112 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2g33 h GLU 113 N 0.00 -0.44 -0.13 2.89 4.39 -1.94 0.55 114.58 119.89 2g33 h GLU 113 Ca 0.26 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2g33 h GLU 113 Cb 0.49 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2g33 h GLU 113 CO -0.90 -0.29 0.28 1.15 -1.16 0.00 0.00 179.01 178.09 2g33 h THR 114 N -0.46 0.19 0.02 1.13 2.02 -0.79 -2.56 112.91 112.47 2g33 h THR 114 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2g33 h THR 114 Cb 0.61 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2g33 h THR 114 CO -0.42 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.04 2g33 h VAL 115 N 0.00 0.55 -0.51 3.16 2.07 0.24 -3.30 116.25 118.46 2g33 h VAL 115 Ca 0.06 -1.38 0.10 0.00 0.82 0.00 0.00 66.70 66.31 2g33 h VAL 115 Cb 0.63 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 2g33 h VAL 115 CO -0.00 0.18 -0.25 -0.07 0.02 0.00 0.00 177.57 177.46 2g33 h LEU 116 N -1.00 -0.85 0.00 2.57 3.38 -0.66 2.18 115.31 120.94 2g33 h LEU 116 Ca -0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2g33 h LEU 116 Cb 0.33 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2g33 h LEU 116 CO 0.01 -0.26 0.05 -0.62 0.09 0.00 0.00 178.44 177.70 2g33 n GLU 117 N -5.42 0.00 0.00 1.13 1.02 -1.00 -1.07 120.64 115.30 2g33 n GLU 117 Ca 0.04 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2g33 n GLU 117 Cb 0.33 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2g33 n GLU 117 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2g33 n TYR 118 N -0.93 0.00 -0.31 -0.32 9.36 0.74 -3.73 117.16 121.96 2g33 n TYR 118 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 2g33 n TYR 118 Cb 0.05 -0.19 -0.01 0.00 -0.63 0.00 0.00 39.34 38.56 2g33 n TYR 118 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2g33 n LEU 119 N -1.75 -0.63 -0.15 2.98 4.32 -0.23 0.74 117.00 122.28 2g33 n LEU 119 Ca 0.00 1.37 -0.04 0.00 -0.02 0.00 0.00 56.01 57.32 2g33 n LEU 119 Cb 0.00 -0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 41.50 2g33 n LEU 119 CO 0.00 -1.19 0.44 0.52 -1.22 0.00 0.00 177.39 175.94 2g33 n VAL 120 N -5.09 -0.24 -0.26 4.08 0.31 -0.40 0.15 118.33 116.89 2g33 n VAL 120 Ca 0.06 1.68 0.05 0.00 -0.01 0.00 0.00 64.34 66.11 2g33 n VAL 120 Cb 0.27 -2.15 0.19 0.00 -0.91 0.00 0.00 33.84 31.24 2g33 n VAL 120 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2g33 h SER 121 N 0.00 0.29 -0.31 4.52 0.02 0.24 -2.22 113.55 116.09 2g33 h SER 121 Ca 0.06 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2g33 h SER 121 Cb 0.14 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2g33 h SER 121 CO -0.33 0.11 -0.10 0.15 -1.14 0.00 0.00 176.83 175.51 2g33 h PHE 122 N 0.45 0.70 0.00 3.45 3.57 0.10 -2.49 116.94 122.72 2g33 h PHE 122 Ca 0.41 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2g33 h PHE 122 Cb 0.63 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2g33 h PHE 122 CO -0.16 0.82 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 2g33 n GLY 123 N -0.12 0.04 1.25 2.40 0.00 0.40 0.04 105.19 109.19 2g33 n GLY 123 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2g33 n GLY 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g33 n VAL 124 N 0.53 0.00 -0.28 1.61 0.31 -1.21 -4.42 118.33 114.87 2g33 n VAL 124 Ca 0.00 0.00 0.32 0.00 -0.01 0.00 0.00 64.34 64.65 2g33 n VAL 124 Cb 0.01 -0.28 0.71 0.00 -0.91 0.00 0.00 33.84 33.37 2g33 n VAL 124 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2g33 h TRP 125 N 0.00 0.08 0.00 3.52 7.01 0.09 -1.87 115.95 124.78 2g33 h TRP 125 Ca 0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2g33 h TRP 125 Cb 0.00 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 2g33 h TRP 125 CO 0.00 0.01 -0.56 0.97 -2.79 0.00 0.00 178.44 176.07 2g33 h ILE 126 N 0.05 0.14 0.00 2.65 2.10 -1.53 -3.35 117.51 117.57 2g33 h ILE 126 Ca 0.53 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 65.30 2g33 h ILE 126 Cb 2.02 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2g33 h ILE 126 CO -0.04 0.05 0.00 0.54 -1.08 0.00 0.00 178.15 177.62 2g33 n ARG 127 N -4.61 0.00 -3.50 2.19 5.12 -0.94 -4.39 116.66 110.53 2g33 n ARG 127 Ca -0.10 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.42 2g33 n ARG 127 Cb 0.30 -1.15 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 2g33 n ARG 127 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2g33 s THR 128 N -1.39 5.26 -0.02 0.55 2.01 -0.75 -5.00 115.64 116.30 2g33 s THR 128 Ca 0.00 -0.12 -0.40 0.00 0.31 0.00 0.00 61.69 61.48 2g33 s THR 128 Cb 0.00 -3.73 -0.19 0.00 0.01 0.00 0.00 72.50 68.58 2g33 s THR 128 CO 0.00 -0.02 1.17 -2.65 -0.69 0.00 0.00 174.62 172.43 2g33 n PRO 129 N 5.18 0.26 0.00 4.92 -0.02 -1.26 -4.51 135.00 139.56 2g33 n PRO 129 Ca -0.12 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2g33 n PRO 129 Cb 0.50 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2g33 n PRO 129 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2g33 n PRO 130 N 1.93 0.00 -0.35 0.52 -0.02 -1.26 -1.28 135.00 134.55 2g33 n PRO 130 Ca 0.20 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2g33 n PRO 130 Cb 0.09 -0.24 0.20 0.00 -0.02 0.00 0.00 33.50 33.53 2g33 n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g33 h ALA 131 N -0.17 1.40 -0.08 3.55 0.00 -2.02 -1.79 119.26 120.15 2g33 h ALA 131 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2g33 h ALA 131 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2g33 h ALA 131 CO 0.00 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.17 2g33 n TYR 132 N -4.61 0.10 -3.23 0.00 4.01 -0.40 -4.85 117.16 108.17 2g33 n TYR 132 Ca 0.17 -0.05 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2g33 n TYR 132 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 2g33 n TYR 132 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2g33 s ARG 133 N -1.90 4.20 0.96 -0.72 3.52 -0.68 -4.91 118.95 119.42 2g33 s ARG 133 Ca 0.33 0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 56.57 2g33 s ARG 133 Cb 0.17 -3.12 0.17 0.00 -1.56 0.00 0.00 34.95 30.61 2g33 s ARG 133 CO 0.26 0.56 1.09 -2.14 -0.81 0.00 0.00 175.30 174.27 2g33 s PRO 134 N -1.43 0.69 0.00 5.12 0.02 -1.26 -4.99 135.00 133.15 2g33 s PRO 134 Ca 0.34 1.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.23 2g33 s PRO 134 Cb -0.18 -1.72 -0.14 0.00 0.02 0.00 0.00 34.50 32.48 2g33 s PRO 134 CO 0.20 -2.72 1.03 -1.00 -0.33 0.00 0.00 177.00 174.18 2g33 h PRO 135 N -1.91 -0.85 -6.88 5.54 0.13 -1.98 -3.45 132.00 122.60 2g33 h PRO 135 Ca -0.50 0.06 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 2g33 h PRO 135 Cb 1.29 0.19 0.03 0.00 0.13 0.00 0.00 31.00 32.64 2g33 h PRO 135 CO 0.49 -0.57 0.06 0.54 -0.23 0.00 0.00 178.00 178.29 2g33 s ASN 136 N -4.54 6.12 0.54 1.44 4.22 -1.26 -5.11 114.94 116.35 2g33 s ASN 136 Ca -0.13 0.76 0.04 0.00 -2.14 0.00 0.00 52.86 51.39 2g33 s ASN 136 Cb 0.01 -2.06 0.03 0.00 1.28 0.00 0.00 41.25 40.51 2g33 s ASN 136 CO 0.39 -0.63 0.32 0.00 -2.04 0.00 0.00 177.10 175.15 2g33 s ALA 137 N -2.70 4.41 0.11 3.54 0.00 -1.26 -5.13 121.76 120.72 2g33 s ALA 137 Ca 0.47 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 2g33 s ALA 137 Cb -0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 2g33 s ALA 137 CO 0.43 -0.36 0.45 -1.25 0.00 0.00 0.00 175.76 175.02 2g33 s PRO 138 N -4.21 3.80 0.19 0.00 0.04 -1.26 -5.09 135.00 128.48 2g33 s PRO 138 Ca 0.27 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.54 2g33 s PRO 138 Cb -0.02 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2g33 s PRO 138 CO 0.17 0.51 0.25 -0.89 0.04 0.00 0.00 177.00 177.08 2g33 n ILE 139 N 0.71 0.00 -2.36 0.56 5.41 -1.26 -5.04 119.36 117.38 2g33 n ILE 139 Ca -0.06 -1.02 -0.39 0.00 1.00 0.00 0.00 62.75 62.28 2g33 n ILE 139 Cb 0.52 0.61 -0.03 0.00 -0.71 0.00 0.00 39.64 40.03 2g33 n ILE 139 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2g33 s LEU 140 N 0.00 3.23 -0.69 1.39 1.43 -1.26 -5.00 118.68 117.79 2g33 s LEU 140 Ca 0.17 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 2g33 s LEU 140 Cb -0.00 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.80 2g33 s LEU 140 CO 0.12 -2.04 0.76 -0.94 0.23 0.00 0.00 176.35 174.48 2g33 s SER 141 N 5.52 6.37 -0.45 2.29 1.04 -1.26 -4.88 113.70 122.34 2g33 s SER 141 Ca 0.49 -1.84 -0.04 0.00 0.48 0.00 0.00 55.95 55.04 2g33 s SER 141 Cb -0.09 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.81 2g33 s SER 141 CO 0.13 -0.96 2.77 0.35 0.98 0.00 0.00 173.24 176.52 2g33 n THR 142 N 5.17 3.32 -0.96 2.02 -2.24 -1.26 -4.74 114.28 115.58 2g33 n THR 142 Ca -0.00 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 2g33 n THR 142 Cb 0.44 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 2g33 n THR 142 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2g33 n LEU 143 N 0.88 0.24 -4.63 3.22 4.32 -1.26 -5.10 117.00 114.65 2g33 n LEU 143 Ca 0.49 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 56.19 2g33 n LEU 143 Cb 0.55 -0.77 0.19 0.00 -1.62 0.00 0.00 43.42 41.77 2g33 n LEU 143 CO 0.33 -0.20 0.61 -2.84 -1.22 0.00 0.00 177.39 174.07 2g33 s PRO 144 N -0.40 0.08 0.33 3.23 0.02 -1.26 -5.09 135.00 131.91 2g33 s PRO 144 Ca 0.00 0.58 -0.19 0.00 0.02 0.00 0.00 61.00 61.42 2g33 s PRO 144 Cb 0.00 -1.69 0.04 0.00 0.02 0.00 0.00 34.50 32.87 2g33 s PRO 144 CO 0.00 -2.98 0.77 -2.00 -0.33 0.00 0.00 177.00 172.46 2g33 s GLU 145 N -4.85 1.98 0.00 5.54 2.12 -1.26 -5.02 118.70 117.21 2g33 s GLU 145 Ca 0.66 -1.20 0.23 0.00 0.36 0.00 0.00 54.97 55.02 2g33 s GLU 145 Cb -0.20 0.61 0.18 0.00 0.26 0.00 0.00 34.13 34.98 2g33 s GLU 145 CO 0.59 -0.92 1.22 2.41 -0.54 0.00 0.00 175.26 178.02