#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 0.47 -3.54 3.17 2.03 -1.26 -4.84 116.55 112.58 2g33 n ASP 2 Ca 0.00 -0.91 -0.04 0.00 0.52 0.00 0.00 54.79 54.36 2g33 n ASP 2 Cb 0.00 -1.16 -0.06 0.00 -0.72 0.00 0.00 41.12 39.18 2g33 n ASP 2 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2g33 s ILE 3 N 8.47 -0.83 -0.01 5.18 -5.25 -1.26 -5.15 121.20 122.35 2g33 s ILE 3 Ca 1.12 0.05 -0.25 0.00 -0.99 0.00 0.00 60.65 60.58 2g33 s ILE 3 Cb -0.50 -0.86 -0.04 0.00 2.95 0.00 0.00 42.46 44.01 2g33 s ILE 3 CO 0.32 0.01 0.77 -0.62 -1.79 0.00 0.00 174.94 173.63 2g33 s ASP 4 N 2.75 7.14 0.00 4.36 -1.08 -1.26 -4.94 116.67 123.64 2g33 s ASP 4 Ca 0.02 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 2g33 s ASP 4 Cb -0.13 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 2g33 s ASP 4 CO -0.17 -0.09 0.78 -0.81 0.52 0.00 0.00 175.17 175.40 2g33 n PRO 5 N 3.42 0.90 0.00 4.34 -0.04 -1.26 -3.41 135.00 138.96 2g33 n PRO 5 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2g33 n PRO 5 Cb 0.51 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2g33 n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2g33 n TYR 6 N -0.35 0.00 -0.59 0.54 4.01 -1.26 -4.71 117.16 114.80 2g33 n TYR 6 Ca 0.00 0.00 0.47 0.00 -0.16 0.00 0.00 57.90 58.21 2g33 n TYR 6 Cb 0.06 0.00 0.75 0.00 -0.31 0.00 0.00 39.34 39.84 2g33 n TYR 6 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2g33 n LYS 7 N -1.38 -0.02 0.30 -0.72 5.02 -1.00 0.25 118.16 120.62 2g33 n LYS 7 Ca 0.00 1.17 0.17 0.00 -2.02 0.00 0.00 58.31 57.63 2g33 n LYS 7 Cb 0.25 -2.49 0.96 0.00 -0.02 0.00 0.00 35.03 33.73 2g33 n LYS 7 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2g33 h GLU 8 N 0.00 0.00 -0.57 1.97 4.81 -1.83 -2.67 114.58 116.29 2g33 h GLU 8 Ca 0.91 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 59.76 2g33 h GLU 8 Cb 3.31 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 32.43 2g33 h GLU 8 CO -0.25 0.02 -0.34 1.19 -0.73 0.00 0.00 179.01 178.90 2g33 n PHE 9 N -3.64 1.97 -2.92 0.92 3.72 0.70 -4.91 117.46 113.29 2g33 n PHE 9 Ca -0.03 -2.06 -0.17 0.00 -0.05 0.00 0.00 57.45 55.13 2g33 n PHE 9 Cb 0.10 -0.53 -0.00 0.00 -0.94 0.00 0.00 39.48 38.11 2g33 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g33 n GLY 10 N -0.91 -0.49 1.32 1.37 0.00 -1.01 -4.90 105.19 100.57 2g33 n GLY 10 Ca 0.40 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 2g33 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g33 n ALA 11 N -2.93 0.27 -3.49 4.61 0.00 -1.16 -5.03 120.51 112.79 2g33 n ALA 11 Ca -0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 2g33 n ALA 11 Cb 0.57 0.61 -0.02 0.00 0.00 0.00 0.00 19.45 20.61 2g33 n ALA 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2g33 s THR 12 N -2.40 0.00 -0.02 0.00 -1.32 -1.26 -2.37 115.64 108.28 2g33 s THR 12 Ca 0.13 -0.04 -0.16 0.00 -1.21 0.00 0.00 61.69 60.42 2g33 s THR 12 Cb 0.01 -1.05 -0.33 0.00 -1.51 0.00 0.00 72.50 69.62 2g33 s THR 12 CO 0.09 0.00 0.86 1.62 -2.21 0.00 0.00 174.62 174.98 2g33 h VAL 13 N 2.00 1.22 -0.01 5.08 3.04 -1.98 -2.75 116.25 122.85 2g33 h VAL 13 Ca -0.27 -2.60 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 2g33 h VAL 13 Cb 1.27 2.98 -0.00 0.00 -2.01 0.00 0.00 31.29 33.53 2g33 h VAL 13 CO 0.33 0.80 0.51 -0.33 -1.01 0.00 0.00 177.57 177.87 2g33 h GLU 14 N 0.00 0.00 0.13 4.17 5.08 -2.02 1.63 114.58 123.57 2g33 h GLU 14 Ca -0.26 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.79 2g33 h GLU 14 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 2g33 h GLU 14 CO 0.21 0.00 -1.49 1.25 -1.00 0.00 0.00 179.01 177.98 2g33 h LEU 15 N 0.00 0.43 -1.64 1.33 6.46 -1.90 -3.36 115.31 116.63 2g33 h LEU 15 Ca 0.00 -0.56 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2g33 h LEU 15 Cb 1.03 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2g33 h LEU 15 CO -0.00 1.46 0.00 0.18 -0.62 0.00 0.00 178.44 179.46 2g33 n LEU 16 N -3.48 2.41 0.03 2.25 4.77 0.55 -3.94 117.00 119.59 2g33 n LEU 16 Ca -0.15 -1.15 0.20 0.00 -0.03 0.00 0.00 56.01 54.88 2g33 n LEU 16 Cb 1.04 -0.26 0.72 0.00 -2.33 0.00 0.00 43.42 42.59 2g33 n LEU 16 CO 0.52 0.58 1.18 -1.28 -1.33 0.00 0.00 177.39 177.05 2g33 h SER 17 N 2.78 0.00 0.58 -1.43 0.87 -1.56 -0.23 113.55 114.55 2g33 h SER 17 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2g33 h SER 17 Cb 0.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2g33 h SER 17 CO 0.00 0.00 -0.08 -0.26 -0.53 0.00 0.00 176.83 175.96 2g33 h PHE 18 N 0.00 0.00 -2.70 2.24 0.04 -1.87 -3.44 116.94 111.20 2g33 h PHE 18 Ca 0.23 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.45 2g33 h PHE 18 Cb 0.99 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2g33 h PHE 18 CO 0.00 0.08 1.02 -0.51 -0.60 0.00 0.00 178.31 178.30 2g33 s LEU 19 N -6.67 4.29 0.12 1.54 1.43 -0.10 -4.94 118.68 114.35 2g33 s LEU 19 Ca -0.02 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 2g33 s LEU 19 Cb 0.11 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 2g33 s LEU 19 CO 0.55 -0.87 1.39 -2.84 0.23 0.00 0.00 176.35 174.81 2g33 s PRO 20 N 3.74 4.32 0.49 1.29 0.02 -1.26 -4.86 135.00 138.73 2g33 s PRO 20 Ca 0.69 2.08 0.31 0.00 0.02 0.00 0.00 61.00 64.10 2g33 s PRO 20 Cb -0.31 -3.24 1.41 0.00 0.02 0.00 0.00 34.50 32.38 2g33 s PRO 20 CO 0.26 -0.44 1.76 0.77 -0.33 0.00 0.00 177.00 179.02 2g33 h SER 21 N 6.77 0.17 0.00 2.53 0.02 -1.95 1.36 113.55 122.45 2g33 h SER 21 Ca -0.42 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2g33 h SER 21 Cb 1.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2g33 h SER 21 CO 0.86 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.66 2g33 n ASP 22 N -4.36 0.00 -0.07 3.07 5.68 -1.26 -3.86 116.55 115.75 2g33 n ASP 22 Ca 0.28 -1.15 -0.08 0.00 -0.50 0.00 0.00 54.79 53.34 2g33 n ASP 22 Cb 1.20 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 41.12 2g33 n ASP 22 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2g33 h PHE 23 N 0.00 0.00 -4.07 2.11 -0.00 0.15 -3.48 116.94 111.64 2g33 h PHE 23 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.97 57.45 2g33 h PHE 23 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 35.95 36.05 2g33 h PHE 23 CO 0.00 0.50 0.48 -0.06 -0.00 0.00 0.00 178.31 179.23 2g33 s PHE 24 N -1.98 2.51 0.41 0.41 0.08 -1.25 -5.03 117.98 113.14 2g33 s PHE 24 Ca -0.12 1.51 -0.24 0.00 0.12 0.00 0.00 56.93 58.20 2g33 s PHE 24 Cb 0.00 -3.46 -0.08 0.00 -0.57 0.00 0.00 43.02 38.91 2g33 s PHE 24 CO 0.32 -2.04 1.15 -2.14 -0.10 0.00 0.00 175.22 172.42 2g33 s PRO 25 N -3.18 4.00 0.24 0.24 0.02 -1.26 -4.92 135.00 130.15 2g33 s PRO 25 Ca 0.74 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 2g33 s PRO 25 Cb -0.30 -2.59 -0.15 0.00 0.02 0.00 0.00 34.50 31.48 2g33 s PRO 25 CO 0.33 -0.34 1.10 -1.13 -0.33 0.00 0.00 177.00 176.63 2g33 n SER 26 N -0.07 1.42 -0.39 2.53 3.41 -1.26 -4.58 113.62 114.67 2g33 n SER 26 Ca 0.05 1.16 -0.10 0.00 -0.26 0.00 0.00 58.87 59.72 2g33 n SER 26 Cb 0.47 -1.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.06 2g33 n SER 26 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2g33 h VAL 27 N 2.33 0.00 -0.93 -3.33 2.07 -1.92 0.39 116.25 114.86 2g33 h VAL 27 Ca -0.41 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.31 2g33 h VAL 27 Cb 1.34 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.93 2g33 h VAL 27 CO 0.66 0.00 -0.18 -0.09 0.02 0.00 0.00 177.57 177.97 2g33 h ARG 28 N -0.03 0.01 0.37 1.57 9.65 -1.99 0.57 114.38 124.52 2g33 h ARG 28 Ca 0.17 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2g33 h ARG 28 Cb 0.44 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2g33 h ARG 28 CO -0.92 0.00 -0.23 -0.44 2.80 0.00 0.00 179.97 181.19 2g33 h ASP 29 N 0.01 -0.58 -0.48 -3.80 3.32 -0.62 -0.74 116.42 113.53 2g33 h ASP 29 Ca 0.47 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.65 2g33 h ASP 29 Cb 0.77 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.41 2g33 h ASP 29 CO -0.94 -0.37 -0.02 -0.07 -1.72 0.00 0.00 179.24 176.12 2g33 h LEU 30 N -0.58 -0.25 0.00 1.55 4.07 0.18 0.30 115.31 120.58 2g33 h LEU 30 Ca -0.04 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2g33 h LEU 30 Cb 0.48 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2g33 h LEU 30 CO 0.04 -0.09 0.00 0.18 -1.08 0.00 0.00 178.44 177.49 2g33 n LEU 31 N -5.25 0.00 -0.04 1.67 4.77 0.33 -0.54 117.00 117.95 2g33 n LEU 31 Ca 0.05 0.88 -0.01 0.00 -0.03 0.00 0.00 56.01 56.90 2g33 n LEU 31 Cb 0.26 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2g33 n LEU 31 CO 0.15 -0.38 0.30 0.47 -1.33 0.00 0.00 177.39 176.60 2g33 n ASP 32 N -1.92 -0.09 0.00 -1.43 8.00 -0.30 -1.31 116.55 119.49 2g33 n ASP 32 Ca 0.00 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.17 2g33 n ASP 32 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2g33 n ASP 32 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2g33 n THR 33 N -2.92 0.00 0.00 -3.53 -1.04 0.10 -1.39 114.28 105.50 2g33 n THR 33 Ca 0.00 0.81 0.00 0.00 -2.04 0.00 0.00 64.05 62.83 2g33 n THR 33 Cb 0.02 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 -1.95 0.00 0.24 2.41 0.00 0.30 -1.94 120.51 119.56 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 0.12 0.27 0.00 0.00 0.00 0.00 19.45 19.84 2g33 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g33 h ALA 35 N -2.43 1.48 -0.06 0.00 0.00 -1.45 2.94 119.26 119.75 2g33 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g33 h ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2g33 h ALA 35 CO 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.77 2g33 n ALA 36 N -1.53 2.54 0.00 0.00 0.00 -0.49 -1.53 120.51 119.50 2g33 n ALA 36 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2g33 n ALA 36 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.48 0.00 0.00 0.00 7.94 0.98 -4.80 117.00 121.59 2g33 n LEU 37 Ca 0.18 -0.34 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2g33 n LEU 37 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2g33 n LEU 37 CO 0.16 0.00 -0.00 -1.22 -1.11 0.00 0.00 177.39 175.21 2g33 n TYR 38 N -1.15 0.00 0.00 1.96 4.01 -0.74 -4.98 117.16 116.26 2g33 n TYR 38 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2g33 n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2g33 n TYR 38 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2g33 n ARG 39 N -0.01 0.00 -0.33 -0.72 0.63 -0.59 0.28 116.66 115.92 2g33 n ARG 39 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 2g33 n ARG 39 Cb 0.00 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.20 2g33 n ARG 39 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2g33 h ASP 40 N 0.00 -0.41 0.43 6.15 3.32 -1.94 1.37 116.42 125.35 2g33 h ASP 40 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2g33 h ASP 40 Cb 0.00 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2g33 h ASP 40 CO 0.00 -0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.19 2g33 n ALA 41 N -3.06 1.46 -0.11 3.45 0.00 0.81 -3.29 120.51 119.77 2g33 n ALA 41 Ca 0.23 0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.52 2g33 n ALA 41 Cb 0.74 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.95 2.12 -0.29 0.00 4.77 0.46 -4.04 117.00 118.07 2g33 n LEU 42 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2g33 n LEU 42 Cb 0.15 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2g33 n LEU 42 CO 0.14 0.61 0.14 -0.62 -1.33 0.00 0.00 177.39 176.33 2g33 n GLU 43 N -3.65 0.40 -3.46 3.23 1.02 -0.49 -4.65 120.64 113.03 2g33 n GLU 43 Ca -0.41 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.42 2g33 n GLU 43 Cb 0.84 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.02 6.53 0.00 1.62 0.15 -1.21 -5.02 113.70 114.75 2g33 s SER 44 Ca 0.00 0.75 0.15 0.00 0.70 0.00 0.00 55.95 57.56 2g33 s SER 44 Cb 0.00 -2.16 0.64 0.00 -1.71 0.00 0.00 66.02 62.80 2g33 s SER 44 CO 0.00 -0.08 1.45 -2.65 1.20 0.00 0.00 173.24 173.16 2g33 n PRO 45 N -0.36 1.46 -3.68 5.44 -0.02 -1.26 -4.82 135.00 131.77 2g33 n PRO 45 Ca -0.01 -0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 60.38 2g33 n PRO 45 Cb 0.53 -1.29 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.82 2.71 0.00 -0.52 0.41 -1.26 -4.96 118.70 113.27 2g33 s GLU 46 Ca 0.25 -1.14 -0.03 0.00 -0.41 0.00 0.00 54.97 53.64 2g33 s GLU 46 Cb 0.13 -3.59 -0.13 0.00 -1.78 0.00 0.00 34.13 28.76 2g33 s GLU 46 CO 0.19 -0.68 2.54 -2.39 -0.49 0.00 0.00 175.26 174.43 2g33 n HIS 47 N 4.90 0.00 -0.02 1.61 1.44 -1.26 -4.73 115.22 117.15 2g33 n HIS 47 Ca -0.12 -1.10 -0.01 0.00 -2.01 0.00 0.00 57.72 54.48 2g33 n HIS 47 Cb 0.45 -1.00 -0.00 0.00 0.12 0.00 0.00 29.99 29.56 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 2.11 -0.03 -2.44 1.59 0.00 -1.26 -4.26 120.51 116.21 2g33 n ALA 48 Ca 0.20 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 2g33 n ALA 48 Cb 0.63 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.89 3.37 0.59 0.00 1.04 -1.26 -4.99 113.70 108.55 2g33 s SER 49 Ca -0.01 -0.99 0.37 0.00 0.48 0.00 0.00 55.95 55.80 2g33 s SER 49 Cb 0.01 -0.26 1.74 0.00 0.10 0.00 0.00 66.02 67.60 2g33 s SER 49 CO 0.03 0.02 2.13 -0.65 0.98 0.00 0.00 173.24 175.75 2g33 h PRO 50 N 2.54 0.00 0.33 4.02 0.11 -2.00 -2.23 132.00 134.76 2g33 h PRO 50 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 2g33 h PRO 50 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2g33 h PRO 50 CO 0.57 0.02 -0.16 0.45 -0.21 0.00 0.00 178.00 178.67 2g33 h HIS 51 N 0.00 -0.41 0.00 0.65 3.86 -1.94 -0.14 115.15 117.17 2g33 h HIS 51 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2g33 h HIS 51 Cb 0.32 0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2g33 h HIS 51 CO 0.00 -0.10 0.00 0.72 0.86 0.00 0.00 177.93 179.41 2g33 n HIS 52 N -5.16 0.00 0.00 2.45 8.25 -0.87 -0.73 115.22 119.16 2g33 n HIS 52 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2g33 n HIS 52 Cb 0.26 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2g33 n HIS 52 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2g33 n THR 53 N -2.80 0.00 0.00 1.59 -1.04 -1.02 -2.40 114.28 108.62 2g33 n THR 53 Ca 0.00 0.61 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 2g33 n THR 53 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.18 0.00 -0.41 2.41 0.00 -0.07 -1.79 120.51 119.47 2g33 n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2g33 n ALA 54 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2g33 n ALA 54 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2g33 n LEU 55 N -2.41 0.00 -0.01 0.00 7.94 0.09 -1.26 117.00 121.35 2g33 n LEU 55 Ca 0.00 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2g33 n LEU 55 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g33 n LEU 55 CO 0.00 0.00 0.01 0.54 -1.11 0.00 0.00 177.39 176.83 2g33 n ARG 56 N -0.52 -0.00 0.29 1.96 1.74 -0.74 0.22 116.66 119.61 2g33 n ARG 56 Ca 0.00 0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 2g33 n ARG 56 Cb 0.00 -0.04 -0.09 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.89 -0.85 5.56 1.08 -1.26 0.27 115.11 119.02 2g33 h GLN 57 Ca 0.01 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 2g33 h GLN 57 Cb 0.02 0.20 -0.12 0.00 -0.05 0.00 0.00 27.48 27.53 2g33 h GLN 57 CO -0.02 -0.59 -0.43 0.00 -0.95 0.00 0.00 178.83 176.84 2g33 n ALA 58 N -2.71 -0.36 0.17 3.87 0.00 0.59 0.57 120.51 122.64 2g33 n ALA 58 Ca -0.11 0.78 -0.16 0.00 0.00 0.00 0.00 53.44 53.95 2g33 n ALA 58 Cb 0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 2g33 n ALA 58 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2g33 h ILE 59 N 0.00 0.12 0.06 0.00 5.03 -1.16 -0.58 117.51 120.98 2g33 h ILE 59 Ca 0.20 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.94 2g33 h ILE 59 Cb 0.42 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 2g33 h ILE 59 CO -0.82 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 176.55 2g33 h LEU 60 N -0.75 -0.07 -1.56 1.44 3.38 0.93 1.04 115.31 119.71 2g33 h LEU 60 Ca -0.01 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.19 2g33 h LEU 60 Cb 0.73 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 2g33 h LEU 60 CO -0.19 0.03 0.74 0.00 0.09 0.00 0.00 178.44 179.11 2g33 h ALA 61 N 0.76 2.55 0.08 1.53 0.00 0.24 0.35 119.26 124.76 2g33 h ALA 61 Ca -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2g33 h ALA 61 Cb 0.15 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2g33 h ALA 61 CO 0.01 -0.95 -0.52 2.35 0.00 0.00 0.00 179.25 180.14 2g33 h TRP 62 N 0.25 0.37 0.00 0.00 2.91 -0.09 -3.14 115.95 116.24 2g33 h TRP 62 Ca 0.61 -0.26 0.00 0.00 1.13 0.00 0.00 58.89 60.37 2g33 h TRP 62 Cb 1.83 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.46 2g33 h TRP 62 CO -0.00 1.18 0.19 0.78 -1.03 0.00 0.00 178.44 179.56 2g33 h GLY 63 N -0.54 0.00 1.88 2.65 0.00 0.47 1.29 103.07 108.82 2g33 h GLY 63 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2g33 h GLY 63 CO 0.10 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 175.96 2g33 h ASP 64 N 0.00 0.00 0.19 0.19 3.32 -0.63 -2.55 116.42 116.95 2g33 h ASP 64 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2g33 h ASP 64 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2g33 h ASP 64 CO 0.00 0.00 -1.95 0.18 -1.72 0.00 0.00 179.24 175.76 2g33 n LEU 65 N -3.05 2.33 -0.01 1.55 4.77 0.44 -2.51 117.00 120.52 2g33 n LEU 65 Ca 0.03 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 2g33 n LEU 65 Cb 0.53 -0.90 0.67 0.00 -2.33 0.00 0.00 43.42 41.39 2g33 n LEU 65 CO 0.35 0.77 0.96 0.23 -1.33 0.00 0.00 177.39 178.37 2g33 n MET 66 N -3.41 0.26 -0.56 3.23 2.81 -0.83 -0.06 117.12 118.57 2g33 n MET 66 Ca -0.29 -0.02 0.08 0.00 -1.81 0.00 0.00 57.70 55.66 2g33 n MET 66 Cb 1.05 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 32.35 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 -1.35 2.41 0.07 2.03 -1.04 -0.96 -4.10 114.28 111.34 2g33 n THR 67 Ca 0.11 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.32 2g33 n THR 67 Cb 0.29 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -0.28 0.81 0.10 -4.42 7.94 -0.77 -4.72 117.00 115.66 2g33 n LEU 68 Ca 0.23 0.22 0.18 0.00 -1.11 0.00 0.00 56.01 55.54 2g33 n LEU 68 Cb 0.97 -0.16 0.58 0.00 0.53 0.00 0.00 43.42 45.34 2g33 n LEU 68 CO 0.19 -0.76 1.16 0.00 -1.11 0.00 0.00 177.39 176.88 2g33 h ALA 69 N 0.00 2.14 -0.64 1.96 0.00 -0.68 1.89 119.26 123.93 2g33 h ALA 69 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2g33 h ALA 69 Cb 0.01 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 2g33 h ALA 69 CO 0.00 -0.91 0.25 0.25 0.00 0.00 0.00 179.25 178.83 2g33 n THR 70 N -3.22 2.56 0.00 0.00 -2.24 -1.26 -2.70 114.28 107.41 2g33 n THR 70 Ca 0.08 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 2g33 n THR 70 Cb 0.85 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.10 0.00 -0.05 4.78 -0.00 0.64 -4.51 117.44 118.19 2g33 n TRP 71 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.85 2g33 n TRP 71 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 32.55 2g33 n TRP 71 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2g33 h VAL 72 N 0.00 0.00 -0.02 5.87 2.07 -1.33 -1.45 116.25 121.39 2g33 h VAL 72 Ca 0.00 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2g33 h VAL 72 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2g33 h VAL 72 CO 0.00 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.84 2g33 h GLY 73 N -0.98 0.00 0.14 2.17 0.00 -1.81 -2.97 103.07 99.62 2g33 h GLY 73 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g33 h GLY 73 CO 0.00 0.00 -0.05 -0.84 0.00 0.00 0.00 176.54 175.65 2g33 h THR 74 N 0.00 0.55 -2.54 4.70 2.02 -1.79 -3.40 112.91 112.45 2g33 h THR 74 Ca 0.01 -1.24 -0.81 0.00 0.77 0.00 0.00 66.41 65.14 2g33 h THR 74 Cb 0.04 1.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.18 2g33 h THR 74 CO -0.00 0.17 0.95 0.59 0.37 0.00 0.00 175.52 177.60 2g33 n ASN 75 N -4.83 6.90 -3.66 4.18 3.02 -0.55 -4.95 115.26 115.36 2g33 n ASN 75 Ca -0.05 -3.54 -0.10 0.00 -0.03 0.00 0.00 54.58 50.86 2g33 n ASN 75 Cb 0.19 -1.23 -0.08 0.00 -0.61 0.00 0.00 39.78 38.05 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 -3.50 -0.54 -0.17 3.41 1.43 -1.18 -4.82 118.68 113.31 2g33 s LEU 76 Ca 0.35 1.28 0.16 0.00 -1.03 0.00 0.00 54.13 54.89 2g33 s LEU 76 Cb 0.12 2.06 0.67 0.00 0.03 0.00 0.00 46.19 49.06 2g33 s LEU 76 CO -0.01 -0.22 1.58 -0.62 0.23 0.00 0.00 176.35 177.31 2g33 n GLU 77 N 3.73 3.84 -3.89 1.70 -0.58 -1.26 -4.81 120.64 119.38 2g33 n GLU 77 Ca -0.18 -2.91 -0.30 0.00 -0.42 0.00 0.00 57.16 53.35 2g33 n GLU 77 Cb 0.57 -1.97 -0.13 0.00 -0.57 0.00 0.00 31.44 29.34 2g33 n GLU 77 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2g33 s ASP 78 N -1.20 4.20 0.34 1.62 2.15 -1.26 -4.97 116.67 117.55 2g33 s ASP 78 Ca 0.47 -3.07 0.17 0.00 0.43 0.00 0.00 52.55 50.56 2g33 s ASP 78 Cb 0.35 -1.50 0.93 0.00 -0.30 0.00 0.00 42.92 42.40 2g33 s ASP 78 CO 0.16 -0.21 1.46 -0.65 -0.17 0.00 0.00 175.17 175.76 2g33 h PRO 79 N 6.36 0.00 0.13 4.34 0.11 -1.99 -2.13 132.00 138.82 2g33 h PRO 79 Ca -0.03 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.80 2g33 h PRO 79 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2g33 h PRO 79 CO 0.65 0.00 -1.41 0.00 -0.21 0.00 0.00 178.00 177.03 2g33 h ALA 80 N 1.51 0.14 0.00 -0.75 0.00 -2.01 -3.39 119.26 114.75 2g33 h ALA 80 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2g33 h ALA 80 Cb 0.37 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2g33 h ALA 80 CO 0.00 0.81 -1.94 -1.13 0.00 0.00 0.00 179.25 176.99 2g33 n SER 81 N -3.89 0.05 0.29 0.00 3.41 -1.15 -4.06 113.62 108.27 2g33 n SER 81 Ca -0.24 0.02 0.16 0.00 -0.26 0.00 0.00 58.87 58.55 2g33 n SER 81 Cb 0.92 1.91 0.87 0.00 -0.26 0.00 0.00 64.21 67.65 2g33 n SER 81 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2g33 h ARG 82 N 0.00 0.00 0.00 4.33 0.11 -1.61 -1.12 114.38 116.09 2g33 h ARG 82 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2g33 h ARG 82 Cb 1.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.08 2g33 h ARG 82 CO 0.00 0.06 -1.19 -0.25 0.10 0.00 0.00 179.97 178.69 2g33 n ASP 83 N -3.42 0.71 0.18 0.08 8.00 -1.26 -4.19 116.55 116.65 2g33 n ASP 83 Ca -0.02 0.27 0.06 0.00 0.71 0.00 0.00 54.79 55.82 2g33 n ASP 83 Cb 0.19 0.70 0.24 0.00 -0.02 0.00 0.00 41.12 42.23 2g33 n ASP 83 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2g33 h LEU 84 N 0.00 0.00 0.00 0.64 5.85 -1.35 -3.28 115.31 117.17 2g33 h LEU 84 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2g33 h LEU 84 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2g33 h LEU 84 CO 0.00 0.34 -0.00 -0.37 -0.34 0.00 0.00 178.44 178.07 2g33 h VAL 85 N 0.00 1.60 -1.09 1.05 -1.51 -1.69 -3.22 116.25 111.39 2g33 h VAL 85 Ca -0.00 -1.83 0.30 0.00 -1.23 0.00 0.00 66.70 63.94 2g33 h VAL 85 Cb 1.05 2.84 -0.08 0.00 -2.13 0.00 0.00 31.29 32.96 2g33 h VAL 85 CO 0.04 0.47 0.73 0.58 -1.23 0.00 0.00 177.57 178.16 2g33 h VAL 86 N -0.79 0.46 0.16 7.19 2.07 -1.75 0.28 116.25 123.86 2g33 h VAL 86 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2g33 h VAL 86 Cb 0.78 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2g33 h VAL 86 CO 0.00 0.05 -0.07 -1.28 0.02 0.00 0.00 177.57 176.29 2g33 h SER 87 N 0.27 -0.18 -0.25 0.57 0.87 -1.61 -0.19 113.55 113.03 2g33 h SER 87 Ca 0.60 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 61.10 2g33 h SER 87 Cb 1.77 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.70 2g33 h SER 87 CO -0.23 0.02 -0.37 0.22 -0.53 0.00 0.00 176.83 175.93 2g33 h TYR 88 N -0.37 -1.05 0.00 2.24 3.20 -0.51 -1.32 116.97 119.17 2g33 h TYR 88 Ca -0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2g33 h TYR 88 Cb 0.29 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2g33 h TYR 88 CO -0.02 -0.42 0.00 0.28 -1.64 0.00 0.00 178.16 176.36 2g33 n VAL 89 N -5.42 0.00 0.00 1.81 0.31 -0.62 0.26 118.33 114.67 2g33 n VAL 89 Ca -0.02 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 2g33 n VAL 89 Cb 0.34 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.28 0.00 0.03 4.52 5.03 -0.09 -0.25 115.26 124.22 2g33 n ASN 90 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2g33 n ASN 90 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2g33 n ASN 90 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2g33 n THR 91 N -0.59 0.11 0.60 3.41 -1.04 -0.50 -4.47 114.28 111.80 2g33 n THR 91 Ca 0.00 0.04 0.08 0.00 -2.04 0.00 0.00 64.05 62.12 2g33 n THR 91 Cb 0.00 -0.51 0.36 0.00 -1.82 0.00 0.00 70.33 68.36 2g33 n THR 91 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2g33 n ASN 92 N -2.74 0.00 0.00 8.00 4.13 0.74 -3.31 115.26 122.08 2g33 n ASN 92 Ca 0.00 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.64 2g33 n ASN 92 Cb 0.00 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 2g33 n ASN 92 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2g33 n VAL 93 N -1.44 0.00 -0.42 2.41 0.31 -0.26 -4.30 118.33 114.63 2g33 n VAL 93 Ca 0.05 0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.74 2g33 n VAL 93 Cb 0.17 -0.52 0.70 0.00 -0.91 0.00 0.00 33.84 33.27 2g33 n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2g33 h GLY 94 N 0.00 0.51 0.00 2.92 0.00 -0.70 0.35 103.07 106.15 2g33 h GLY 94 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2g33 h GLY 94 CO 0.00 -0.11 0.00 -0.10 0.00 0.00 0.00 176.54 176.33 2g33 n LEU 95 N -4.33 0.05 -0.70 3.11 0.00 -1.21 0.15 117.00 114.07 2g33 n LEU 95 Ca 0.31 0.80 0.53 0.00 0.00 0.00 0.00 56.01 57.65 2g33 n LEU 95 Cb 1.35 -0.48 0.82 0.00 0.00 0.00 0.00 43.42 45.11 2g33 n LEU 95 CO 0.34 -0.48 1.48 0.11 0.00 0.00 0.00 177.39 178.84 2g33 h LYS 96 N 0.00 0.00 0.09 1.96 1.57 -0.88 0.58 116.57 119.89 2g33 h LYS 96 Ca 0.00 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2g33 h LYS 96 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2g33 h LYS 96 CO 0.00 0.00 -2.03 1.19 -0.57 0.00 0.00 179.45 178.04 2g33 n PHE 97 N -4.00 1.03 -0.03 -1.35 3.01 0.94 -3.41 117.46 113.65 2g33 n PHE 97 Ca 0.45 0.24 -0.13 0.00 1.01 0.00 0.00 57.45 59.01 2g33 n PHE 97 Cb 2.00 -1.14 -0.09 0.00 -0.01 0.00 0.00 39.48 40.24 2g33 n PHE 97 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g33 h ARG 98 N 0.05 0.16 0.00 -1.08 3.08 0.41 -0.44 114.38 116.56 2g33 h ARG 98 Ca -0.43 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2g33 h ARG 98 Cb 2.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.08 2g33 h ARG 98 CO 0.06 0.64 0.00 0.94 -1.07 0.00 0.00 179.97 180.55 2g33 n GLN 99 N -4.70 0.00 0.00 0.04 7.27 0.18 -1.80 117.38 118.37 2g33 n GLN 99 Ca -0.08 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.89 2g33 n GLN 99 Cb 0.33 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.63 2g33 n GLN 99 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2g33 n LEU 100 N -2.89 0.00 0.00 1.69 0.00 -1.21 -3.33 117.00 111.26 2g33 n LEU 100 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.33 2g33 n LEU 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2g33 n LEU 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 2g33 n LEU 101 N -0.55 0.00 -0.16 -1.96 4.32 -0.18 0.78 117.00 119.25 2g33 n LEU 101 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.08 2g33 n LEU 101 Cb 0.00 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 41.97 2g33 n LEU 101 CO 0.00 0.00 0.40 1.87 -1.22 0.00 0.00 177.39 178.44 2g33 n TRP 102 N -0.37 0.36 0.00 -1.77 -0.00 -0.74 -0.44 117.44 114.47 2g33 n TRP 102 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.50 58.06 2g33 n TRP 102 Cb 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 31.31 30.42 2g33 n TRP 102 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2g33 n PHE 103 N -4.42 0.00 0.00 5.87 7.35 0.23 -1.17 117.46 125.32 2g33 n PHE 103 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2g33 n PHE 103 Cb 0.42 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.25 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 -0.52 0.00 0.00 -5.13 8.25 0.41 -0.56 115.22 117.67 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 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.68 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 -2.78 0.00 -0.15 1.59 5.41 -0.86 0.14 119.36 122.71 2g33 n ILE 105 Ca 0.00 0.48 -0.03 0.00 1.00 0.00 0.00 62.75 64.20 2g33 n ILE 105 Cb 0.00 -0.69 0.06 0.00 -0.71 0.00 0.00 39.64 38.30 2g33 n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2g33 h SER 106 N 0.00 -0.03 -0.96 4.38 0.02 -0.99 -1.19 113.55 114.78 2g33 h SER 106 Ca 0.00 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2g33 h SER 106 Cb 0.00 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 2g33 h SER 106 CO 0.00 0.01 0.58 0.00 -1.14 0.00 0.00 176.83 176.29 2g33 h ALA 107 N 1.37 1.47 0.00 3.77 0.00 0.18 -0.46 119.26 125.60 2g33 h ALA 107 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2g33 h ALA 107 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2g33 h ALA 107 CO -0.32 0.11 0.00 -0.11 0.00 0.00 0.00 179.25 178.93 2g33 n LEU 108 N -4.70 1.99 0.00 0.00 7.94 0.38 -1.36 117.00 121.26 2g33 n LEU 108 Ca 0.19 -0.97 0.00 0.00 -1.11 0.00 0.00 56.01 54.12 2g33 n LEU 108 Cb 0.40 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2g33 n LEU 108 CO 0.25 0.35 0.00 0.41 -1.11 0.00 0.00 177.39 177.29 2g33 n THR 109 N 0.91 0.00 -2.38 1.96 -1.04 -0.20 -4.88 114.28 108.65 2g33 n THR 109 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2g33 n THR 109 Cb 0.29 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.83 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 -0.32 2.24 -2.39 -1.42 3.72 -0.46 -5.05 117.46 113.77 2g33 n PHE 110 Ca 0.00 -2.34 0.00 0.00 -0.05 0.00 0.00 57.45 55.06 2g33 n PHE 110 Cb 0.00 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2g33 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g33 n GLY 111 N -0.60 -0.22 0.07 1.37 0.00 -0.82 -3.30 105.19 101.68 2g33 n GLY 111 Ca 0.29 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 2g33 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g33 n ARG 112 N -0.77 0.41 -0.33 1.61 1.74 -1.26 -4.23 116.66 113.83 2g33 n ARG 112 Ca 0.00 0.31 0.03 0.00 -0.77 0.00 0.00 57.85 57.41 2g33 n ARG 112 Cb 0.00 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.13 2g33 n ARG 112 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2g33 n GLU 113 N -4.17 -0.14 0.33 5.56 -0.58 -1.26 0.30 120.64 120.69 2g33 n GLU 113 Ca -0.09 1.36 0.22 0.00 -0.42 0.00 0.00 57.16 58.23 2g33 n GLU 113 Cb 0.34 -2.03 1.16 0.00 -0.57 0.00 0.00 31.44 30.35 2g33 n GLU 113 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2g33 h THR 114 N 0.00 0.06 0.00 2.62 2.02 -1.78 -2.13 112.91 113.71 2g33 h THR 114 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2g33 h THR 114 Cb 0.59 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2g33 h THR 114 CO -0.89 0.00 -0.12 0.52 0.37 0.00 0.00 175.52 175.40 2g33 n VAL 115 N -3.15 0.34 -0.32 3.16 0.31 0.89 -4.04 118.33 115.52 2g33 n VAL 115 Ca -0.03 0.43 0.13 0.00 -0.01 0.00 0.00 64.34 64.86 2g33 n VAL 115 Cb 0.10 -1.72 0.27 0.00 -0.91 0.00 0.00 33.84 31.57 2g33 n VAL 115 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2g33 h LEU 116 N -0.24 -0.40 -0.23 7.52 3.38 -1.04 4.10 115.31 128.40 2g33 h LEU 116 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2g33 h LEU 116 Cb 0.12 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2g33 h LEU 116 CO 0.00 -0.30 0.07 1.21 0.09 0.00 0.00 178.44 179.51 2g33 n GLU 117 N -5.43 0.02 0.00 1.13 2.13 -0.80 -1.66 120.64 116.03 2g33 n GLU 117 Ca 0.21 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2g33 n GLU 117 Cb 0.70 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2g33 n GLU 117 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2g33 n TYR 118 N -1.58 0.00 -0.19 4.31 9.36 1.35 -4.13 117.16 126.29 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 0.07 -0.14 -0.03 0.00 -0.63 0.00 0.00 39.34 38.61 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 -1.29 -0.43 0.00 2.98 4.32 -1.01 -0.72 117.00 120.86 2g33 n LEU 119 Ca 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 2g33 n LEU 119 Cb 0.00 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2g33 n LEU 119 CO 0.00 -0.67 0.12 0.52 -1.22 0.00 0.00 177.39 176.14 2g33 n VAL 120 N -4.59 0.00 -0.04 4.08 0.31 -0.66 0.20 118.33 117.62 2g33 n VAL 120 Ca 0.02 0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 64.70 2g33 n VAL 120 Cb 0.13 -0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 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 -1.51 -0.90 4.52 0.02 -1.08 -0.63 113.55 113.97 2g33 h SER 121 Ca 0.00 0.19 0.24 0.00 -0.84 0.00 0.00 61.79 61.38 2g33 h SER 121 Cb 0.00 0.60 -0.16 0.00 0.14 0.00 0.00 62.40 62.98 2g33 h SER 121 CO 0.00 -0.39 0.13 0.15 -1.14 0.00 0.00 176.83 175.58 2g33 h PHE 122 N -0.45 0.16 -0.75 3.45 3.57 -0.63 0.43 116.94 122.73 2g33 h PHE 122 Ca 0.04 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.67 2g33 h PHE 122 Cb 0.56 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.28 2g33 h PHE 122 CO -0.61 -0.31 -0.40 0.41 -2.23 0.00 0.00 178.31 175.17 2g33 n GLY 123 N -1.42 -1.84 0.19 2.40 0.00 0.53 0.46 105.19 105.51 2g33 n GLY 123 Ca 0.21 0.88 -0.07 0.00 0.00 0.00 0.00 46.02 47.04 2g33 n GLY 123 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2g33 h VAL 124 N 0.00 1.08 -0.02 1.61 2.07 -0.95 -2.71 116.25 117.32 2g33 h VAL 124 Ca 0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2g33 h VAL 124 Cb 0.34 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2g33 h VAL 124 CO -0.71 0.11 -0.01 -0.25 0.02 0.00 0.00 177.57 176.72 2g33 h TRP 125 N 0.58 -0.04 -0.91 1.57 7.01 0.14 -0.22 115.95 124.09 2g33 h TRP 125 Ca 0.18 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.26 2g33 h TRP 125 Cb -0.02 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 26.99 2g33 h TRP 125 CO -0.06 -0.01 0.56 0.97 -2.79 0.00 0.00 178.44 177.12 2g33 h ILE 126 N -0.00 1.00 0.00 2.65 2.10 -1.57 -1.28 117.51 120.41 2g33 h ILE 126 Ca 0.00 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2g33 h ILE 126 Cb 0.01 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 35.67 2g33 h ILE 126 CO -0.02 0.18 0.01 -1.14 -1.08 0.00 0.00 178.15 176.09 2g33 n ARG 127 N -4.62 0.00 -3.98 2.19 0.63 -0.15 -4.53 116.66 106.20 2g33 n ARG 127 Ca 0.14 0.03 -0.34 0.00 -0.92 0.00 0.00 57.85 56.76 2g33 n ARG 127 Cb 0.23 -1.51 -0.14 0.00 0.45 0.00 0.00 32.46 31.49 2g33 n ARG 127 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2g33 s THR 128 N -1.90 2.70 -0.06 5.15 2.01 -0.49 -5.03 115.64 118.02 2g33 s THR 128 Ca 0.00 -1.24 -0.06 0.00 0.31 0.00 0.00 61.69 60.70 2g33 s THR 128 Cb 0.00 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2g33 s THR 128 CO 0.00 0.10 0.24 -2.65 -0.69 0.00 0.00 174.62 171.62 2g33 n PRO 129 N 4.60 0.00 -0.08 4.92 -0.01 -1.26 -4.25 135.00 138.92 2g33 n PRO 129 Ca -0.15 0.00 0.03 0.00 -0.01 0.00 0.00 63.50 63.37 2g33 n PRO 129 Cb 0.45 -0.18 0.07 0.00 -0.01 0.00 0.00 33.50 33.83 2g33 n PRO 129 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2g33 n PRO 130 N 0.80 -0.02 0.00 0.52 -0.02 -1.26 0.23 135.00 135.25 2g33 n PRO 130 Ca 0.06 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 2g33 n PRO 130 Cb -0.01 -0.56 0.18 0.00 -0.02 0.00 0.00 33.50 33.10 2g33 n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g33 n ALA 131 N -3.54 1.43 0.00 3.55 0.00 -1.26 -3.51 120.51 117.18 2g33 n ALA 131 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.49 2g33 n ALA 131 Cb 0.18 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2g33 n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2g33 n TYR 132 N -1.41 0.00 -3.74 0.00 0.53 0.63 -5.04 117.16 108.14 2g33 n TYR 132 Ca 0.03 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.60 2g33 n TYR 132 Cb 0.08 -0.13 -0.04 0.00 -1.03 0.00 0.00 39.34 38.22 2g33 n TYR 132 CO 0.00 0.00 0.00 -0.98 -1.02 0.00 0.00 176.86 174.86 2g33 s ARG 133 N -2.39 3.55 0.09 -0.72 1.70 -1.23 -5.04 118.95 114.90 2g33 s ARG 133 Ca -0.02 -0.24 -0.31 0.00 -0.47 0.00 0.00 55.73 54.69 2g33 s ARG 133 Cb 0.04 -2.89 -0.07 0.00 -0.57 0.00 0.00 34.95 31.46 2g33 s ARG 133 CO 0.24 0.48 1.29 -2.14 -1.08 0.00 0.00 175.30 174.09 2g33 s PRO 134 N -2.82 4.38 0.44 3.89 0.02 -1.26 -4.87 135.00 134.78 2g33 s PRO 134 Ca 0.39 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.39 2g33 s PRO 134 Cb -0.12 -3.30 0.38 0.00 0.02 0.00 0.00 34.50 31.48 2g33 s PRO 134 CO 0.27 -0.34 1.08 -1.35 -0.33 0.00 0.00 177.00 176.33 2g33 h PRO 135 N 6.79 0.00 -4.12 5.54 0.11 -1.97 -3.29 132.00 135.06 2g33 h PRO 135 Ca -0.42 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 64.93 2g33 h PRO 135 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 2g33 h PRO 135 CO 0.84 0.00 -0.08 -0.80 -0.21 0.00 0.00 178.00 177.74 2g33 s ASN 136 N -3.07 6.34 1.15 -2.05 0.01 -1.26 -5.06 114.94 110.99 2g33 s ASN 136 Ca -0.01 -1.98 -0.15 0.00 -0.71 0.00 0.00 52.86 50.01 2g33 s ASN 136 Cb 0.02 -2.22 0.26 0.00 0.41 0.00 0.00 41.25 39.72 2g33 s ASN 136 CO 0.06 -0.82 1.06 0.00 -1.51 0.00 0.00 177.10 175.89 2g33 s ALA 137 N 1.39 0.22 -0.10 0.60 0.00 -1.24 -5.01 121.76 117.63 2g33 s ALA 137 Ca 0.08 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 2g33 s ALA 137 Cb -0.24 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2g33 s ALA 137 CO 0.00 -3.52 0.58 -1.25 0.00 0.00 0.00 175.76 171.56 2g33 s PRO 138 N -4.93 4.37 0.32 0.00 0.04 -1.26 -5.08 135.00 128.46 2g33 s PRO 138 Ca 0.68 0.63 0.09 0.00 0.04 0.00 0.00 61.00 62.44 2g33 s PRO 138 Cb -0.18 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2g33 s PRO 138 CO 0.59 0.09 0.09 0.42 0.04 0.00 0.00 177.00 178.23 2g33 s ILE 139 N 0.78 3.06 -0.44 0.56 1.01 -1.26 -4.98 121.20 119.94 2g33 s ILE 139 Ca 0.31 -1.79 -0.28 0.00 0.00 0.00 0.00 60.65 58.89 2g33 s ILE 139 Cb -0.16 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 2g33 s ILE 139 CO 0.13 -0.23 1.86 -0.76 0.00 0.00 0.00 174.94 175.94 2g33 s LEU 140 N -3.78 3.42 -0.07 2.97 1.43 -1.26 -4.98 118.68 116.41 2g33 s LEU 140 Ca 0.36 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2g33 s LEU 140 Cb -0.03 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 43.11 2g33 s LEU 140 CO 0.21 -2.02 -0.14 -0.55 0.23 0.00 0.00 176.35 174.08 2g33 s SER 141 N 7.19 2.00 0.13 2.29 0.15 -1.26 -5.07 113.70 119.13 2g33 s SER 141 Ca 0.76 -0.34 -0.32 0.00 0.70 0.00 0.00 55.95 56.75 2g33 s SER 141 Cb -0.18 -0.92 -0.12 0.00 -1.71 0.00 0.00 66.02 63.09 2g33 s SER 141 CO 0.28 0.04 1.75 0.41 1.20 0.00 0.00 173.24 176.93 2g33 n THR 142 N 3.85 0.22 -1.44 6.45 -1.04 -1.26 -4.83 114.28 116.23 2g33 n THR 142 Ca -0.22 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.37 2g33 n THR 142 Cb 0.52 -1.92 0.04 0.00 -1.82 0.00 0.00 70.33 67.15 2g33 n THR 142 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2g33 n LEU 143 N 4.84 0.48 -4.31 -4.42 4.77 -1.26 -4.90 117.00 112.22 2g33 n LEU 143 Ca 0.18 0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 56.54 2g33 n LEU 143 Cb 0.34 -1.15 0.11 0.00 -2.33 0.00 0.00 43.42 40.38 2g33 n LEU 143 CO 0.66 -3.17 -0.45 -2.65 -1.33 0.00 0.00 177.39 170.44 2g33 n PRO 144 N 0.02 -0.39 -1.52 3.23 -0.02 -1.26 -4.90 135.00 130.15 2g33 n PRO 144 Ca 0.11 -0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.23 2g33 n PRO 144 Cb 0.48 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 2g33 n PRO 144 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2g33 n GLU 145 N -0.81 2.61 -3.29 -0.52 0.00 -1.26 -4.46 120.64 112.91 2g33 n GLU 145 Ca 0.04 -2.41 -0.25 0.00 0.00 0.00 0.00 57.16 54.54 2g33 n GLU 145 Cb 0.56 -2.19 -0.08 0.00 0.00 0.00 0.00 31.44 29.73 2g33 n GLU 145 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2g33 n THR 146 N 1.01 0.36 -0.73 6.31 -1.04 -1.26 -5.35 114.28 113.58 2g33 n THR 146 Ca 0.50 -4.41 0.00 0.00 -2.04 0.00 0.00 64.05 58.10 2g33 n THR 146 Cb 0.53 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 2g33 n THR 146 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78