#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g33 s ASP 2 N 0.00 6.03 -0.30 3.17 -1.08 -1.26 -4.93 116.67 118.30 2g33 s ASP 2 Ca 0.00 1.15 0.04 0.00 -0.52 0.00 0.00 52.55 53.22 2g33 s ASP 2 Cb 0.00 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 39.10 2g33 s ASP 2 CO 0.00 -1.62 0.48 0.27 0.52 0.00 0.00 175.17 174.81 2g33 s ILE 3 N 6.43 -0.75 0.06 4.11 -5.25 -1.26 -5.15 121.20 119.39 2g33 s ILE 3 Ca 0.74 -0.22 -0.30 0.00 -0.99 0.00 0.00 60.65 59.88 2g33 s ILE 3 Cb -0.20 -0.92 -0.05 0.00 2.95 0.00 0.00 42.46 44.24 2g33 s ILE 3 CO 0.33 -0.20 1.04 -0.62 -1.79 0.00 0.00 174.94 173.71 2g33 s ASP 4 N 2.54 7.32 0.00 4.36 -1.08 -1.26 -4.92 116.67 123.63 2g33 s ASP 4 Ca 0.10 1.83 0.13 0.00 -0.52 0.00 0.00 52.55 54.09 2g33 s ASP 4 Cb -0.11 -2.58 0.69 0.00 -1.46 0.00 0.00 42.92 39.46 2g33 s ASP 4 CO -0.26 -0.25 1.28 -2.65 0.52 0.00 0.00 175.17 173.80 2g33 n PRO 5 N 3.43 0.26 -0.04 4.34 -0.02 -1.26 -3.35 135.00 138.35 2g33 n PRO 5 Ca 0.05 0.11 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 2g33 n PRO 5 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.19 0.00 -0.23 6.00 4.02 -1.26 -4.65 117.16 119.86 2g33 n TYR 6 Ca 0.07 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.19 2g33 n TYR 6 Cb 0.08 -0.41 0.41 0.00 -0.02 0.00 0.00 39.34 39.40 2g33 n TYR 6 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2g33 n LYS 7 N -2.43 -0.04 -0.29 -0.72 5.02 0.21 0.20 118.16 120.11 2g33 n LYS 7 Ca -0.15 0.94 0.01 0.00 -2.02 0.00 0.00 58.31 57.09 2g33 n LYS 7 Cb 0.75 -1.71 0.14 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.83 -1.97 1.97 4.81 -1.82 -2.47 114.58 115.93 2g33 h GLU 8 Ca 0.59 -0.05 -0.73 0.00 -0.13 0.00 0.00 59.36 59.03 2g33 h GLU 8 Cb 1.57 -0.19 -0.31 0.00 0.63 0.00 0.00 28.75 30.45 2g33 h GLU 8 CO -0.52 0.55 0.63 1.19 -0.73 0.00 0.00 179.01 180.13 2g33 n PHE 9 N -4.69 3.09 -3.89 0.92 3.01 0.54 -4.91 117.46 111.52 2g33 n PHE 9 Ca 0.12 -2.62 -0.28 0.00 1.01 0.00 0.00 57.45 55.69 2g33 n PHE 9 Cb 0.20 -0.94 -0.00 0.00 -0.01 0.00 0.00 39.48 38.73 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 -0.42 -0.43 3.64 1.37 0.00 -0.93 -4.91 105.19 103.51 2g33 n GLY 10 Ca 0.49 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.05 -1.31 0.06 4.61 0.00 -1.10 -4.98 121.76 114.99 2g33 s ALA 11 Ca 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2g33 s ALA 11 Cb -0.14 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2g33 s ALA 11 CO 0.60 -0.90 -0.05 -0.08 0.00 0.00 0.00 175.76 175.33 2g33 s THR 12 N -3.85 0.44 0.04 0.00 -1.32 -1.26 -0.62 115.64 109.07 2g33 s THR 12 Ca 0.07 -1.55 -0.19 0.00 -1.21 0.00 0.00 61.69 58.81 2g33 s THR 12 Cb -0.03 -1.18 -0.17 0.00 -1.51 0.00 0.00 72.50 69.60 2g33 s THR 12 CO -0.02 -0.74 1.25 1.62 -2.21 0.00 0.00 174.62 174.52 2g33 h VAL 13 N 3.61 1.37 0.00 5.08 3.04 -1.98 -2.14 116.25 125.23 2g33 h VAL 13 Ca -0.35 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.63 2g33 h VAL 13 Cb 1.17 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 2g33 h VAL 13 CO 0.56 0.51 0.92 -0.08 -1.01 0.00 0.00 177.57 178.47 2g33 h GLU 14 N 0.07 0.00 0.00 4.17 4.81 -2.02 -0.49 114.58 121.12 2g33 h GLU 14 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2g33 h GLU 14 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2g33 h GLU 14 CO 0.08 0.00 0.00 -0.11 -0.73 0.00 0.00 179.01 178.25 2g33 n LEU 15 N -2.50 1.83 -0.16 1.64 0.00 -0.82 -4.46 117.00 112.53 2g33 n LEU 15 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.14 2g33 n LEU 15 Cb 0.92 0.00 0.24 0.00 0.00 0.00 0.00 43.42 44.58 2g33 n LEU 15 CO 0.01 0.00 0.42 0.18 0.00 0.00 0.00 177.39 178.01 2g33 n LEU 16 N -0.69 0.09 -0.11 -1.96 4.77 -0.22 -0.62 117.00 118.25 2g33 n LEU 16 Ca 0.00 0.53 0.19 0.00 -0.03 0.00 0.00 56.01 56.69 2g33 n LEU 16 Cb 0.00 -0.26 0.29 0.00 -2.33 0.00 0.00 43.42 41.12 2g33 n LEU 16 CO 0.00 -0.58 0.93 -0.24 -1.33 0.00 0.00 177.39 176.18 2g33 n SER 17 N -3.49 0.00 0.00 -1.43 2.88 -1.00 -0.46 113.62 110.12 2g33 n SER 17 Ca 0.14 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2g33 n SER 17 Cb 0.54 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2g33 n SER 17 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2g33 n PHE 18 N -2.68 0.00 -0.81 0.66 0.99 0.21 -4.73 117.46 111.10 2g33 n PHE 18 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.30 2g33 n PHE 18 Cb 1.12 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.57 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 -0.53 -0.32 -4.68 4.37 4.77 0.39 -4.79 117.00 116.21 2g33 n LEU 19 Ca 0.00 0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 56.19 2g33 n LEU 19 Cb 0.00 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2g33 n LEU 19 CO 0.00 -1.34 1.49 -2.65 -1.33 0.00 0.00 177.39 173.56 2g33 n PRO 20 N 0.71 2.75 0.00 3.23 -0.02 -1.26 -4.71 135.00 135.70 2g33 n PRO 20 Ca 0.11 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 2g33 n PRO 20 Cb 0.09 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 30.67 2g33 n PRO 20 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2g33 n SER 21 N 5.94 0.00 -0.51 2.55 7.64 -1.26 0.70 113.62 128.67 2g33 n SER 21 Ca 0.19 0.12 0.07 0.00 1.01 0.00 0.00 58.87 60.26 2g33 n SER 21 Cb 0.37 -0.12 0.18 0.00 -1.01 0.00 0.00 64.21 63.63 2g33 n SER 21 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2g33 n ASP 22 N -1.00 3.06 -0.06 6.43 3.85 -1.26 -4.74 116.55 122.83 2g33 n ASP 22 Ca 0.00 -2.74 -0.03 0.00 -0.71 0.00 0.00 54.79 51.32 2g33 n ASP 22 Cb 0.07 -0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 39.42 2g33 n ASP 22 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2g33 h PHE 23 N 1.12 0.00 -1.97 2.11 -0.00 -0.07 -3.47 116.94 114.65 2g33 h PHE 23 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 57.97 57.33 2g33 h PHE 23 Cb 1.08 0.00 0.06 0.00 -0.00 0.00 0.00 35.95 37.10 2g33 h PHE 23 CO 0.25 0.17 0.48 1.19 -0.00 0.00 0.00 178.31 180.41 2g33 n PHE 24 N -4.74 1.66 -1.82 0.41 3.01 -1.26 -4.93 117.46 109.80 2g33 n PHE 24 Ca -0.03 0.56 -0.39 0.00 1.01 0.00 0.00 57.45 58.60 2g33 n PHE 24 Cb 0.10 -2.37 0.03 0.00 -0.01 0.00 0.00 39.48 37.23 2g33 n PHE 24 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2g33 s PRO 25 N 0.22 3.46 0.25 -1.08 0.02 -1.26 -4.93 135.00 131.69 2g33 s PRO 25 Ca 0.78 2.30 -0.29 0.00 0.02 0.00 0.00 61.00 63.81 2g33 s PRO 25 Cb -0.84 -2.48 -0.15 0.00 0.02 0.00 0.00 34.50 31.06 2g33 s PRO 25 CO 0.47 -0.95 1.01 -1.13 -0.33 0.00 0.00 177.00 176.07 2g33 n SER 26 N -0.56 1.14 -0.19 2.53 3.41 -1.26 -4.65 113.62 114.05 2g33 n SER 26 Ca 0.07 1.17 -0.03 0.00 -0.26 0.00 0.00 58.87 59.82 2g33 n SER 26 Cb 0.44 -1.25 0.03 0.00 -0.26 0.00 0.00 64.21 63.17 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 2.08 0.30 -0.99 -3.33 2.07 -1.94 0.24 116.25 114.67 2g33 h VAL 27 Ca -0.40 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.49 2g33 h VAL 27 Cb 1.35 0.30 -0.17 0.00 -1.52 0.00 0.00 31.29 31.24 2g33 h VAL 27 CO 0.63 0.00 0.46 -0.09 0.02 0.00 0.00 177.57 178.58 2g33 h ARG 28 N -0.10 0.09 -0.09 1.57 9.65 -1.99 1.45 114.38 124.96 2g33 h ARG 28 Ca 0.26 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 2g33 h ARG 28 Cb 0.50 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2g33 h ARG 28 CO -0.63 0.06 0.03 -0.44 2.80 0.00 0.00 179.97 181.79 2g33 h ASP 29 N 0.09 0.12 -0.03 -3.80 3.32 -0.85 -1.48 116.42 113.79 2g33 h ASP 29 Ca 0.77 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.62 2g33 h ASP 29 Cb 1.90 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 2g33 h ASP 29 CO -0.75 0.30 0.02 -0.07 -1.72 0.00 0.00 179.24 177.01 2g33 h LEU 30 N -0.05 0.03 0.70 1.55 4.07 0.22 -2.51 115.31 119.32 2g33 h LEU 30 Ca 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 2g33 h LEU 30 Cb 0.22 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.95 2g33 h LEU 30 CO -0.00 0.08 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.03 2g33 h LEU 31 N -0.01 -0.79 -1.56 1.67 3.38 -1.06 0.37 115.31 117.31 2g33 h LEU 31 Ca 0.01 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.50 2g33 h LEU 31 Cb 0.05 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2g33 h LEU 31 CO -0.00 -0.45 1.08 0.47 0.09 0.00 0.00 178.44 179.63 2g33 n ASP 32 N -5.17 0.10 0.00 -0.43 8.00 -0.56 -2.66 116.55 115.83 2g33 n ASP 32 Ca -0.12 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2g33 n ASP 32 Cb 0.37 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 -4.16 0.00 0.00 -3.53 -1.04 -0.95 -4.11 114.28 100.49 2g33 n THR 33 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 2g33 n THR 33 Cb 1.67 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.16 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 -2.49 0.00 0.03 2.41 0.00 0.09 0.79 120.51 121.35 2g33 n ALA 34 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2g33 n ALA 34 Cb 0.00 0.02 0.42 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.46 2.42 -0.63 0.00 0.00 -1.76 1.60 119.26 120.42 2g33 h ALA 35 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2g33 h ALA 35 Cb 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.65 2g33 h ALA 35 CO 0.00 -1.23 0.38 0.00 0.00 0.00 0.00 179.25 178.39 2g33 n ALA 36 N -2.04 4.41 -0.03 0.00 0.00 0.24 -2.14 120.51 120.96 2g33 n ALA 36 Ca 0.12 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2g33 n ALA 36 Cb 1.13 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.46 0.00 0.00 0.00 7.94 0.54 -4.94 117.00 120.08 2g33 n LEU 37 Ca 0.37 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 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 0.38 0.00 -0.06 -1.22 -1.11 0.00 0.00 177.39 175.38 2g33 n TYR 38 N 0.00 0.00 0.00 1.96 4.01 -0.84 -4.95 117.16 117.34 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 2.89 -0.46 0.00 0.00 176.86 179.29 2g33 n ARG 39 N -0.45 0.00 -0.33 -0.72 1.85 -0.91 0.90 116.66 117.01 2g33 n ARG 39 Ca 0.00 0.32 0.36 0.00 -1.00 0.00 0.00 57.85 57.53 2g33 n ARG 39 Cb 0.00 -0.58 0.69 0.00 -1.05 0.00 0.00 32.46 31.52 2g33 n ARG 39 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2g33 h ASP 40 N 0.00 0.00 0.48 2.89 2.03 -1.93 2.90 116.42 122.79 2g33 h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2g33 h ASP 40 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2g33 h ASP 40 CO 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 179.24 178.15 2g33 n ALA 41 N -2.61 2.64 -0.01 4.15 0.00 0.26 -3.95 120.51 120.99 2g33 n ALA 41 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2g33 n ALA 41 Cb 1.43 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.15 0.73 -1.61 0.00 4.77 0.95 -4.41 117.00 116.28 2g33 n LEU 42 Ca 0.14 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.10 2g33 n LEU 42 Cb 0.26 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2g33 n LEU 42 CO 0.24 0.17 0.99 -0.62 -1.33 0.00 0.00 177.39 176.84 2g33 n GLU 43 N -2.20 1.03 -5.06 3.23 1.02 0.11 -4.75 120.64 114.02 2g33 n GLU 43 Ca -0.04 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.70 2g33 n GLU 43 Cb 0.56 -1.16 -0.16 0.00 -0.02 0.00 0.00 31.44 30.66 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 2.01 2.58 0.08 1.62 0.15 -1.26 -4.98 113.70 113.90 2g33 s SER 44 Ca 0.08 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.40 2g33 s SER 44 Cb 0.04 -0.51 0.40 0.00 -1.71 0.00 0.00 66.02 64.24 2g33 s SER 44 CO 0.00 0.23 1.26 -2.65 1.20 0.00 0.00 173.24 173.28 2g33 n PRO 45 N 2.81 0.04 -3.98 5.44 -0.02 -1.26 -4.69 135.00 133.34 2g33 n PRO 45 Ca -0.17 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 2g33 n PRO 45 Cb 0.52 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 -3.12 3.50 -0.75 -0.52 0.41 -1.26 -5.02 118.70 111.94 2g33 s GLU 46 Ca 0.01 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.36 2g33 s GLU 46 Cb 0.04 -3.14 0.35 0.00 -1.78 0.00 0.00 34.13 29.60 2g33 s GLU 46 CO 0.11 0.65 1.52 -2.39 -0.49 0.00 0.00 175.26 174.66 2g33 n HIS 47 N 2.38 3.28 0.01 1.61 1.44 -1.26 -4.90 115.22 117.78 2g33 n HIS 47 Ca -0.19 -2.96 0.02 0.00 -2.01 0.00 0.00 57.72 52.57 2g33 n HIS 47 Cb 0.54 -0.79 0.03 0.00 0.12 0.00 0.00 29.99 29.89 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 -0.32 0.06 -3.56 1.59 0.00 -1.26 -4.28 120.51 112.74 2g33 n ALA 48 Ca 0.43 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 2g33 n ALA 48 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.54 -0.24 0.18 0.00 1.04 -1.26 -5.03 113.70 105.85 2g33 s SER 49 Ca -0.00 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 2g33 s SER 49 Cb 0.01 0.25 0.09 0.00 0.10 0.00 0.00 66.02 66.46 2g33 s SER 49 CO 0.03 -0.39 1.83 -0.65 0.98 0.00 0.00 173.24 175.04 2g33 h PRO 50 N 2.05 0.78 -0.67 4.02 0.11 -2.01 -2.45 132.00 133.83 2g33 h PRO 50 Ca -0.15 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.04 2g33 h PRO 50 Cb 1.20 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 2g33 h PRO 50 CO 0.27 0.54 -0.18 0.45 -0.21 0.00 0.00 178.00 178.86 2g33 h HIS 51 N 0.79 -0.40 -0.08 0.65 3.86 -1.95 0.30 115.15 118.31 2g33 h HIS 51 Ca 0.21 0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2g33 h HIS 51 Cb -0.06 0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2g33 h HIS 51 CO -0.03 -0.30 -0.14 0.45 0.86 0.00 0.00 177.93 178.77 2g33 h HIS 52 N -0.01 -0.44 -0.95 2.45 3.86 -1.79 -1.76 115.15 116.50 2g33 h HIS 52 Ca 0.32 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.70 2g33 h HIS 52 Cb 0.50 0.20 -0.16 0.00 1.06 0.00 0.00 27.41 29.01 2g33 h HIS 52 CO -0.56 -0.13 -0.36 1.15 0.86 0.00 0.00 177.93 178.89 2g33 h THR 53 N -0.12 0.02 -0.84 2.45 2.02 -1.10 -0.34 112.91 115.01 2g33 h THR 53 Ca 0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.35 2g33 h THR 53 Cb 0.16 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 66.44 2g33 h THR 53 CO -0.14 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.46 2g33 h ALA 54 N 1.43 0.31 -2.07 6.16 0.00 0.41 -2.78 119.26 122.73 2g33 h ALA 54 Ca 0.35 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2g33 h ALA 54 Cb 0.61 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2g33 h ALA 54 CO -0.96 -0.52 0.00 1.28 0.00 0.00 0.00 179.25 179.05 2g33 n LEU 55 N -5.51 0.00 0.00 0.00 4.32 -0.14 -3.43 117.00 112.24 2g33 n LEU 55 Ca 0.10 0.65 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 2g33 n LEU 55 Cb 0.41 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2g33 n LEU 55 CO -0.07 -0.15 0.00 0.54 -1.22 0.00 0.00 177.39 176.49 2g33 n ARG 56 N -1.22 0.00 0.00 3.23 5.12 -1.05 0.98 116.66 123.73 2g33 n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2g33 n ARG 56 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2g33 n ARG 56 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2g33 n GLN 57 N -0.87 0.00 0.00 5.56 1.13 -1.22 -0.39 117.38 121.58 2g33 n GLN 57 Ca 0.00 0.51 0.00 0.00 -1.94 0.00 0.00 57.00 55.57 2g33 n GLN 57 Cb 0.00 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2g33 n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2g33 n ALA 58 N -1.48 0.00 -0.09 -1.58 0.00 0.28 0.17 120.51 117.81 2g33 n ALA 58 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2g33 n ALA 58 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.37 -0.67 0.00 2.04 -1.16 0.19 117.51 118.27 2g33 h ILE 59 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2g33 h ILE 59 Cb 0.00 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2g33 h ILE 59 CO 0.00 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 2g33 h LEU 60 N -0.21 0.95 -0.62 1.44 3.38 0.47 0.98 115.31 121.70 2g33 h LEU 60 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2g33 h LEU 60 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2g33 h LEU 60 CO -0.45 0.89 0.37 0.00 0.09 0.00 0.00 178.44 179.33 2g33 h ALA 61 N 1.10 0.79 -0.34 1.53 0.00 0.14 0.11 119.26 122.59 2g33 h ALA 61 Ca 0.22 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2g33 h ALA 61 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2g33 h ALA 61 CO -0.01 0.28 -0.32 2.35 0.00 0.00 0.00 179.25 181.55 2g33 h TRP 62 N 0.84 0.99 0.00 0.00 2.91 -0.21 -0.74 115.95 119.73 2g33 h TRP 62 Ca 0.22 -0.29 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2g33 h TRP 62 Cb -0.01 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 2g33 h TRP 62 CO -0.02 1.08 0.00 0.41 -1.03 0.00 0.00 178.44 178.88 2g33 n GLY 63 N 0.13 -0.49 0.04 2.65 0.00 0.33 0.46 105.19 108.30 2g33 n GLY 63 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2g33 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g33 n ASP 64 N -0.40 2.37 -0.06 1.61 10.43 0.35 -3.78 116.55 127.07 2g33 n ASP 64 Ca 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.29 2g33 n ASP 64 Cb 0.05 1.04 -0.06 0.00 1.84 0.00 0.00 41.12 43.98 2g33 n ASP 64 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2g33 h LEU 65 N 0.00 0.00 -2.07 0.64 3.38 0.77 -2.05 115.31 115.99 2g33 h LEU 65 Ca -0.18 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 2g33 h LEU 65 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2g33 h LEU 65 CO 0.01 0.76 -0.01 0.24 0.09 0.00 0.00 178.44 179.54 2g33 h MET 66 N -1.00 0.00 0.00 1.13 2.86 -0.24 1.11 114.93 118.80 2g33 h MET 66 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2g33 h MET 66 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2g33 h MET 66 CO -0.01 0.01 -0.38 1.15 1.06 0.00 0.00 176.91 178.74 2g33 h THR 67 N 0.00 0.80 0.00 2.22 2.02 -1.65 -3.08 112.91 113.22 2g33 h THR 67 Ca -0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 2g33 h THR 67 Cb 0.31 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2g33 h THR 67 CO 0.00 0.37 -0.06 0.25 0.37 0.00 0.00 175.52 176.46 2g33 h LEU 68 N 0.00 0.00 -0.71 2.58 5.85 0.59 -3.35 115.31 120.27 2g33 h LEU 68 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2g33 h LEU 68 Cb 1.03 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 2g33 h LEU 68 CO 0.05 0.41 -0.33 0.00 -0.34 0.00 0.00 178.44 178.23 2g33 n ALA 69 N -2.70 -0.23 0.29 1.25 0.00 0.34 0.17 120.51 119.63 2g33 n ALA 69 Ca -0.01 0.67 0.18 0.00 0.00 0.00 0.00 53.44 54.28 2g33 n ALA 69 Cb 0.03 -0.23 0.85 0.00 0.00 0.00 0.00 19.45 20.10 2g33 n ALA 69 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2g33 h THR 70 N 0.00 0.13 -0.01 0.00 1.35 -1.75 -2.81 112.91 109.83 2g33 h THR 70 Ca 0.19 -0.39 -0.10 0.00 -0.55 0.00 0.00 66.41 65.56 2g33 h THR 70 Cb 0.37 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2g33 h THR 70 CO -0.69 0.03 -0.38 -0.25 -0.25 0.00 0.00 175.52 173.98 2g33 h TRP 71 N 0.00 0.41 -0.91 4.73 7.01 0.16 -3.27 115.95 124.07 2g33 h TRP 71 Ca -0.00 -0.21 0.23 0.00 2.11 0.00 0.00 58.89 61.01 2g33 h TRP 71 Cb 0.34 -0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.22 2g33 h TRP 71 CO 0.00 1.01 0.42 0.28 -2.79 0.00 0.00 178.44 177.36 2g33 h VAL 72 N -0.31 0.48 -0.30 2.65 2.07 -1.01 0.18 116.25 120.02 2g33 h VAL 72 Ca -0.04 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2g33 h VAL 72 Cb 1.10 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2g33 h VAL 72 CO 0.08 0.08 -0.09 1.23 0.02 0.00 0.00 177.57 178.88 2g33 h GLY 73 N 0.42 0.53 0.70 2.17 0.00 -1.61 -2.93 103.07 102.35 2g33 h GLY 73 Ca 0.57 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 2g33 h GLY 73 CO -0.52 0.32 -0.20 -0.84 0.00 0.00 0.00 176.54 175.30 2g33 h THR 74 N 0.46 1.39 -1.91 4.70 2.02 -0.75 -3.36 112.91 115.45 2g33 h THR 74 Ca 0.09 -1.48 -0.73 0.00 0.77 0.00 0.00 66.41 65.05 2g33 h THR 74 Cb 0.45 2.09 -0.30 0.00 -1.74 0.00 0.00 68.15 68.65 2g33 h THR 74 CO 0.02 0.43 0.71 0.59 0.37 0.00 0.00 175.52 177.64 2g33 n ASN 75 N -4.52 6.96 -3.17 4.18 4.13 -0.37 -4.87 115.26 117.60 2g33 n ASN 75 Ca -0.07 -3.81 0.03 0.00 1.68 0.00 0.00 54.58 52.40 2g33 n ASN 75 Cb 0.41 -0.95 -0.00 0.00 -1.54 0.00 0.00 39.78 37.70 2g33 n ASN 75 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2g33 s LEU 76 N -3.97 -1.60 0.00 3.41 1.43 -1.12 -4.93 118.68 111.91 2g33 s LEU 76 Ca 0.51 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2g33 s LEU 76 Cb 0.43 2.01 -0.09 0.00 0.03 0.00 0.00 46.19 48.57 2g33 s LEU 76 CO -0.37 -0.25 2.28 -0.62 0.23 0.00 0.00 176.35 177.62 2g33 n GLU 77 N 5.03 1.19 -3.30 1.70 -0.58 -1.26 -4.42 120.64 119.00 2g33 n GLU 77 Ca 0.07 -0.33 -0.25 0.00 -0.42 0.00 0.00 57.16 56.24 2g33 n GLU 77 Cb 0.55 -1.40 -0.08 0.00 -0.57 0.00 0.00 31.44 29.94 2g33 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2g33 n ASP 78 N 1.95 -0.50 0.21 1.62 2.03 -1.26 -5.00 116.55 115.60 2g33 n ASP 78 Ca 0.14 -2.50 0.07 0.00 0.52 0.00 0.00 54.79 53.03 2g33 n ASP 78 Cb 0.57 -0.43 0.39 0.00 -0.72 0.00 0.00 41.12 40.93 2g33 n ASP 78 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2g33 h PRO 79 N 5.14 0.00 0.30 -0.67 0.11 -1.99 -2.07 132.00 132.83 2g33 h PRO 79 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2g33 h PRO 79 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2g33 h PRO 79 CO 0.38 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.02 2g33 h ALA 80 N 1.01 -0.63 0.02 -0.75 0.00 -1.96 -3.25 119.26 113.69 2g33 h ALA 80 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2g33 h ALA 80 Cb 0.81 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2g33 h ALA 80 CO 0.00 -0.60 -1.16 0.66 0.00 0.00 0.00 179.25 178.15 2g33 h SER 81 N -0.67 0.07 -0.29 0.00 4.64 -1.98 -3.32 113.55 112.00 2g33 h SER 81 Ca -0.04 -0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2g33 h SER 81 Cb 0.31 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 2g33 h SER 81 CO 0.07 1.07 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.82 2g33 h ARG 82 N 0.01 -0.15 0.00 4.77 1.12 -1.54 0.36 114.38 118.95 2g33 h ARG 82 Ca -0.08 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2g33 h ARG 82 Cb 1.84 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.84 2g33 h ARG 82 CO 0.13 -0.10 0.00 -0.25 -3.11 0.00 0.00 179.97 176.64 2g33 n ASP 83 N -5.35 0.39 0.08 -3.80 9.92 -1.23 -3.72 116.55 112.84 2g33 n ASP 83 Ca 0.00 0.58 -0.04 0.00 -0.53 0.00 0.00 54.79 54.80 2g33 n ASP 83 Cb 0.26 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 40.05 2g33 n ASP 83 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2g33 h LEU 84 N 0.00 -0.21 -0.39 0.64 5.85 -1.03 -3.37 115.31 116.80 2g33 h LEU 84 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2g33 h LEU 84 Cb 0.39 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2g33 h LEU 84 CO 0.00 0.00 -0.06 1.33 -0.34 0.00 0.00 178.44 179.37 2g33 n VAL 85 N -3.48 -0.16 0.23 1.05 0.24 -1.05 0.25 118.33 115.40 2g33 n VAL 85 Ca -0.03 0.88 0.03 0.00 -2.04 0.00 0.00 64.34 63.18 2g33 n VAL 85 Cb 0.10 -1.24 0.14 0.00 -1.47 0.00 0.00 33.84 31.37 2g33 n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2g33 n VAL 86 N -4.55 1.47 0.12 3.34 0.31 -1.26 0.05 118.33 117.81 2g33 n VAL 86 Ca 0.07 0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 64.76 2g33 n VAL 86 Cb 0.23 -1.26 0.02 0.00 -0.91 0.00 0.00 33.84 31.92 2g33 n VAL 86 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2g33 h SER 87 N 0.00 0.00 -0.11 4.52 0.87 0.31 0.05 113.55 119.19 2g33 h SER 87 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2g33 h SER 87 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2g33 h SER 87 CO 0.00 0.67 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 2g33 n TYR 88 N -3.35 0.13 0.00 2.24 9.36 0.11 -3.60 117.16 122.05 2g33 n TYR 88 Ca 0.01 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.16 2g33 n TYR 88 Cb 0.77 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 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 0.34 0.00 0.00 2.97 0.31 -1.05 -2.58 118.33 118.33 2g33 n VAL 89 Ca 0.17 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2g33 n VAL 89 Cb 0.36 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.32 0.00 0.00 4.52 4.13 -0.02 -0.74 115.26 120.83 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 -0.39 0.00 0.29 3.41 -1.04 -1.25 -4.73 114.28 110.58 2g33 n THR 91 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 2g33 n THR 91 Cb 0.00 -0.36 0.09 0.00 -1.82 0.00 0.00 70.33 68.24 2g33 n THR 91 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2g33 h ASN 92 N 0.00 0.00 0.00 8.00 2.35 -1.47 -3.27 115.58 121.19 2g33 h ASN 92 Ca 0.00 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 2g33 h ASN 92 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2g33 h ASN 92 CO 0.00 0.04 -1.65 0.52 -1.65 0.00 0.00 177.43 174.68 2g33 n VAL 93 N -2.54 0.33 -0.20 2.81 0.31 -1.03 -4.11 118.33 113.90 2g33 n VAL 93 Ca 0.02 -0.36 -0.01 0.00 -0.01 0.00 0.00 64.34 63.97 2g33 n VAL 93 Cb 0.51 -0.16 0.09 0.00 -0.91 0.00 0.00 33.84 33.37 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 2.24 0.84 0.00 2.92 0.00 -1.05 0.32 103.07 108.34 2g33 h GLY 94 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2g33 h GLY 94 CO 0.01 0.05 0.00 -0.10 0.00 0.00 0.00 176.54 176.49 2g33 n LEU 95 N -4.93 0.00 -0.67 3.11 7.94 -1.23 0.21 117.00 121.43 2g33 n LEU 95 Ca 0.07 0.79 0.51 0.00 -1.11 0.00 0.00 56.01 56.28 2g33 n LEU 95 Cb 0.22 -0.29 0.81 0.00 0.53 0.00 0.00 43.42 44.68 2g33 n LEU 95 CO 0.25 -0.29 1.46 0.11 -1.11 0.00 0.00 177.39 177.80 2g33 h LYS 96 N 0.00 0.00 0.00 1.96 1.79 -1.64 0.20 116.57 118.89 2g33 h LYS 96 Ca 0.00 -0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 2g33 h LYS 96 Cb 0.00 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 2g33 h LYS 96 CO 0.00 0.00 -1.87 1.19 -1.08 0.00 0.00 179.45 177.69 2g33 n PHE 97 N -4.05 0.29 -0.14 -1.35 3.01 0.11 -3.78 117.46 111.55 2g33 n PHE 97 Ca 0.43 0.13 -0.03 0.00 1.01 0.00 0.00 57.45 58.99 2g33 n PHE 97 Cb 1.94 -0.93 0.05 0.00 -0.01 0.00 0.00 39.48 40.53 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 -1.00 0.12 0.00 -1.08 3.08 0.28 -0.59 114.38 115.19 2g33 h ARG 98 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2g33 h ARG 98 Cb 1.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2g33 h ARG 98 CO -0.28 0.08 0.00 0.94 -1.07 0.00 0.00 179.97 179.64 2g33 n GLN 99 N -5.21 0.00 0.00 0.04 7.27 0.68 -1.65 117.38 118.51 2g33 n GLN 99 Ca 0.04 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2g33 n GLN 99 Cb 0.24 -0.70 0.00 0.00 2.41 0.00 0.00 30.24 32.19 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 -0.45 0.00 0.00 1.69 0.00 -1.14 -3.15 117.00 113.95 2g33 n LEU 100 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 56.01 56.56 2g33 n LEU 100 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.37 2g33 n LEU 100 CO 0.00 -0.05 0.00 -0.11 0.00 0.00 0.00 177.39 177.23 2g33 n LEU 101 N -1.19 0.00 0.00 -1.96 7.94 -0.24 0.14 117.00 121.68 2g33 n LEU 101 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2g33 n LEU 101 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g33 n LEU 101 CO 0.00 0.00 0.14 1.87 -1.11 0.00 0.00 177.39 178.29 2g33 n TRP 102 N -0.54 0.00 0.00 1.96 -0.00 -0.66 -1.60 117.44 116.60 2g33 n TRP 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2g33 n TRP 102 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 31.31 31.21 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 -1.59 0.00 0.00 5.87 7.35 0.12 -1.50 117.46 127.72 2g33 n PHE 103 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2g33 n PHE 103 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -0.02 0.00 -0.02 -5.13 8.25 -0.63 -0.68 115.22 116.99 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 -0.64 -0.03 -0.02 1.59 5.41 -0.56 0.16 119.36 125.27 2g33 n ILE 105 Ca 0.00 0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.75 2g33 n ILE 105 Cb 0.00 -0.15 -0.08 0.00 -0.71 0.00 0.00 39.64 38.71 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 -1.34 -0.86 4.38 0.02 -0.78 -0.68 113.55 114.28 2g33 h SER 106 Ca 0.01 0.16 0.20 0.00 -0.84 0.00 0.00 61.79 61.33 2g33 h SER 106 Cb 0.03 0.53 -0.16 0.00 0.14 0.00 0.00 62.40 62.94 2g33 h SER 106 CO -0.05 -0.36 -0.04 0.00 -1.14 0.00 0.00 176.83 175.24 2g33 h ALA 107 N -0.53 0.86 0.00 3.77 0.00 -0.34 0.62 119.26 123.63 2g33 h ALA 107 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2g33 h ALA 107 Cb 0.51 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2g33 h ALA 107 CO -0.36 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 179.71 2g33 n LEU 108 N -5.44 0.93 0.00 0.00 4.32 -0.26 -0.77 117.00 115.78 2g33 n LEU 108 Ca 0.16 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 2g33 n LEU 108 Cb 0.55 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2g33 n LEU 108 CO -0.01 0.17 0.00 0.41 -1.22 0.00 0.00 177.39 176.73 2g33 n THR 109 N 1.24 0.00 -0.00 -5.08 -1.04 0.21 -5.00 114.28 104.60 2g33 n THR 109 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2g33 n THR 109 Cb 0.12 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.99 0.00 0.00 -1.42 3.72 -0.34 -5.07 117.46 113.36 2g33 n PHE 110 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2g33 n PHE 110 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 3.22 4.56 0.06 1.37 0.00 0.05 -4.63 105.19 109.81 2g33 n GLY 111 Ca -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 2g33 n GLY 111 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2g33 h ARG 112 N 0.00 -0.06 -0.83 1.61 2.43 -1.94 0.75 114.38 116.34 2g33 h ARG 112 Ca 0.00 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 2g33 h ARG 112 Cb 0.00 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 2g33 h ARG 112 CO 0.00 -0.04 0.39 0.93 -1.51 0.00 0.00 179.97 179.74 2g33 h GLU 113 N -0.06 0.51 0.00 0.20 4.39 -1.98 0.46 114.58 118.10 2g33 h GLU 113 Ca 0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2g33 h GLU 113 Cb 0.08 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2g33 h GLU 113 CO -0.06 0.34 -0.03 1.15 -1.16 0.00 0.00 179.01 179.24 2g33 h THR 114 N 0.53 0.40 0.00 1.13 2.02 -1.47 -1.97 112.91 113.56 2g33 h THR 114 Ca 0.47 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 2g33 h THR 114 Cb 0.72 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2g33 h THR 114 CO -0.41 0.03 -0.42 0.58 0.37 0.00 0.00 175.52 175.67 2g33 h VAL 115 N 0.00 0.27 -0.90 3.16 2.07 0.51 -3.30 116.25 118.06 2g33 h VAL 115 Ca -0.00 -1.27 0.22 0.00 0.82 0.00 0.00 66.70 66.47 2g33 h VAL 115 Cb 0.10 0.58 -0.16 0.00 -1.52 0.00 0.00 31.29 30.28 2g33 h VAL 115 CO 0.00 0.09 -0.03 -0.07 0.02 0.00 0.00 177.57 177.59 2g33 h LEU 116 N -1.00 -0.51 0.00 2.57 3.38 -1.20 3.74 115.31 122.29 2g33 h LEU 116 Ca -0.05 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2g33 h LEU 116 Cb 0.51 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2g33 h LEU 116 CO -0.03 -0.28 0.01 -0.62 0.09 0.00 0.00 178.44 177.61 2g33 n GLU 117 N -5.46 0.00 0.00 1.13 1.02 -0.74 -3.24 120.64 113.35 2g33 n GLU 117 Ca 0.18 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2g33 n GLU 117 Cb 0.60 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.09 0.00 0.00 -0.32 4.19 1.24 -4.58 117.16 116.59 2g33 n TYR 118 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2g33 n TYR 118 Cb 0.01 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.84 2g33 n TYR 118 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2g33 n LEU 119 N 0.00 0.00 0.00 2.98 4.32 -1.18 -0.20 117.00 122.92 2g33 n LEU 119 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2g33 n LEU 119 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2g33 n LEU 119 CO 0.00 0.00 0.00 0.52 -1.22 0.00 0.00 177.39 176.69 2g33 n VAL 120 N -0.01 0.00 -0.14 4.08 0.31 -1.24 0.98 118.33 122.31 2g33 n VAL 120 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2g33 n VAL 120 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2g33 n VAL 120 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2g33 n SER 121 N -0.06 -0.35 -0.30 4.52 7.64 0.72 0.10 113.62 125.89 2g33 n SER 121 Ca 0.00 1.17 0.14 0.00 1.01 0.00 0.00 58.87 61.19 2g33 n SER 121 Cb 0.00 -0.37 0.31 0.00 -1.01 0.00 0.00 64.21 63.14 2g33 n SER 121 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2g33 h PHE 122 N 0.00 0.43 -0.92 1.43 3.04 0.63 0.70 116.94 122.26 2g33 h PHE 122 Ca 0.05 0.05 0.26 0.00 3.98 0.00 0.00 57.97 62.31 2g33 h PHE 122 Cb 0.14 -0.05 -0.14 0.00 2.56 0.00 0.00 35.95 38.46 2g33 h PHE 122 CO -0.88 -0.19 0.36 0.78 -2.02 0.00 0.00 178.31 176.36 2g33 h GLY 123 N 0.24 1.61 0.68 2.40 0.00 0.33 -0.00 103.07 108.32 2g33 h GLY 123 Ca 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2g33 h GLY 123 CO -0.64 -0.39 -0.30 -2.08 0.00 0.00 0.00 176.54 173.14 2g33 h VAL 124 N 0.28 0.11 -0.78 4.60 2.07 0.85 -3.06 116.25 120.32 2g33 h VAL 124 Ca 0.61 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.87 2g33 h VAL 124 Cb 1.27 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 31.07 2g33 h VAL 124 CO -0.62 0.02 -0.31 1.87 0.02 0.00 0.00 177.57 178.54 2g33 n TRP 125 N -5.34 0.00 0.36 1.57 -0.00 -0.11 -1.67 117.44 112.25 2g33 n TRP 125 Ca -0.11 0.96 -0.14 0.00 -0.00 0.00 0.00 57.50 58.21 2g33 n TRP 125 Cb 0.34 -0.78 -0.07 0.00 -0.00 0.00 0.00 31.31 30.81 2g33 n TRP 125 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 2g33 h ILE 126 N 0.00 0.00 0.00 5.87 2.10 -1.35 -3.24 117.51 120.88 2g33 h ILE 126 Ca 0.26 -0.02 -0.62 0.00 1.08 0.00 0.00 64.86 65.57 2g33 h ILE 126 Cb 0.46 0.00 0.02 0.00 -1.09 0.00 0.00 36.82 36.21 2g33 h ILE 126 CO -0.77 0.00 3.50 -2.11 -1.08 0.00 0.00 178.15 177.68 2g33 n ARG 127 N -4.50 3.23 -3.53 2.19 1.85 -0.67 -4.70 116.66 110.53 2g33 n ARG 127 Ca -0.11 -2.10 -0.20 0.00 -1.00 0.00 0.00 57.85 54.44 2g33 n ARG 127 Cb 0.36 -2.80 -0.14 0.00 -1.05 0.00 0.00 32.46 28.83 2g33 n ARG 127 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2g33 s THR 128 N 2.62 -0.27 -0.01 8.89 2.01 -1.17 -4.89 115.64 122.83 2g33 s THR 128 Ca 0.61 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 2g33 s THR 128 Cb 0.16 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 2g33 s THR 128 CO -0.05 -0.19 0.07 -2.65 -0.69 0.00 0.00 174.62 171.11 2g33 n PRO 129 N 5.31 0.00 -0.37 4.92 -0.02 -1.26 -4.05 135.00 139.53 2g33 n PRO 129 Ca -0.06 0.00 0.31 0.00 -2.02 0.00 0.00 63.50 61.73 2g33 n PRO 129 Cb 0.49 -0.09 0.58 0.00 -0.02 0.00 0.00 33.50 34.46 2g33 n PRO 129 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2g33 h PRO 130 N 0.21 0.13 0.00 0.52 0.11 -1.94 1.72 132.00 132.76 2g33 h PRO 130 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2g33 h PRO 130 Cb 0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 2g33 h PRO 130 CO 0.04 0.09 -0.01 0.00 -0.21 0.00 0.00 178.00 177.91 2g33 h ALA 131 N 1.80 1.02 -0.01 -0.75 0.00 -2.03 -3.10 119.26 116.19 2g33 h ALA 131 Ca 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2g33 h ALA 131 Cb 2.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2g33 h ALA 131 CO -0.58 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.34 2g33 n TYR 132 N -3.13 0.01 -2.57 0.00 4.01 0.58 -4.96 117.16 111.10 2g33 n TYR 132 Ca -0.01 -0.09 -0.43 0.00 -0.16 0.00 0.00 57.90 57.20 2g33 n TYR 132 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2g33 n TYR 132 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2g33 s ARG 133 N -0.27 3.74 0.08 -0.72 0.52 -0.78 -4.95 118.95 116.57 2g33 s ARG 133 Ca 0.02 0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 55.59 2g33 s ARG 133 Cb 0.01 -3.91 -0.10 0.00 0.52 0.00 0.00 34.95 31.48 2g33 s ARG 133 CO 0.02 -1.36 1.91 -2.14 0.02 0.00 0.00 175.30 173.75 2g33 s PRO 134 N 4.44 4.14 0.61 3.54 0.02 -1.26 -4.77 135.00 141.71 2g33 s PRO 134 Ca 0.49 2.62 0.17 0.00 0.02 0.00 0.00 61.00 64.30 2g33 s PRO 134 Cb -0.08 -3.90 0.58 0.00 0.02 0.00 0.00 34.50 31.12 2g33 s PRO 134 CO 0.30 -0.91 1.16 -0.35 -0.33 0.00 0.00 177.00 176.88 2g33 n PRO 135 N 6.67 0.02 -2.93 5.54 -0.04 -1.26 -3.54 135.00 139.46 2g33 n PRO 135 Ca 0.19 0.97 -0.44 0.00 -0.04 0.00 0.00 63.50 64.18 2g33 n PRO 135 Cb 0.40 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 2g33 n PRO 135 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2g33 s ASN 136 N -3.27 6.58 1.25 3.54 0.01 -1.26 -5.03 114.94 116.77 2g33 s ASN 136 Ca -0.02 -1.96 -0.18 0.00 -0.71 0.00 0.00 52.86 50.00 2g33 s ASN 136 Cb 0.09 -2.39 0.28 0.00 0.41 0.00 0.00 41.25 39.63 2g33 s ASN 136 CO 0.30 -1.09 0.70 0.00 -1.51 0.00 0.00 177.10 175.51 2g33 n ALA 137 N 6.58 -3.69 -2.73 0.60 0.00 -1.23 -4.98 120.51 115.07 2g33 n ALA 137 Ca 0.21 -1.46 -0.37 0.00 0.00 0.00 0.00 53.44 51.82 2g33 n ALA 137 Cb 0.49 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 2g33 n ALA 137 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2g33 s PRO 138 N -4.31 3.63 0.07 0.00 0.04 -1.26 -5.09 135.00 128.09 2g33 s PRO 138 Ca 0.62 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.76 2g33 s PRO 138 Cb -0.17 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 2g33 s PRO 138 CO 0.60 0.74 0.04 -0.89 0.04 0.00 0.00 177.00 177.53 2g33 n ILE 139 N 1.88 0.00 -1.52 0.56 5.41 -1.26 -5.01 119.36 119.42 2g33 n ILE 139 Ca -0.17 -0.49 -0.34 0.00 1.00 0.00 0.00 62.75 62.75 2g33 n ILE 139 Cb 0.54 0.21 0.07 0.00 -0.71 0.00 0.00 39.64 39.75 2g33 n ILE 139 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2g33 n LEU 140 N 0.00 7.26 -4.73 1.39 4.77 -1.26 -5.05 117.00 119.39 2g33 n LEU 140 Ca 0.00 -4.44 -0.38 0.00 -0.03 0.00 0.00 56.01 51.16 2g33 n LEU 140 Cb 0.12 -0.90 0.06 0.00 -2.33 0.00 0.00 43.42 40.37 2g33 n LEU 140 CO 0.06 1.61 0.91 -0.24 -1.33 0.00 0.00 177.39 178.40 2g33 n SER 141 N -0.83 2.22 -4.74 -1.43 2.88 -1.26 -4.94 113.62 105.52 2g33 n SER 141 Ca 0.59 0.89 -0.30 0.00 -1.33 0.00 0.00 58.87 58.72 2g33 n SER 141 Cb 0.64 -1.55 0.13 0.00 -0.75 0.00 0.00 64.21 62.68 2g33 n SER 141 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2g33 s THR 142 N -1.35 2.71 -0.83 2.46 2.01 -1.26 -4.73 115.64 114.65 2g33 s THR 142 Ca 0.78 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.91 2g33 s THR 142 Cb -0.40 -2.77 -0.26 0.00 0.01 0.00 0.00 72.50 69.08 2g33 s THR 142 CO 0.44 -0.30 2.01 0.18 -0.69 0.00 0.00 174.62 176.26 2g33 n LEU 143 N -3.80 -1.08 0.00 4.42 4.77 -1.26 -4.66 117.00 115.39 2g33 n LEU 143 Ca 0.07 -0.84 0.05 0.00 -0.03 0.00 0.00 56.01 55.26 2g33 n LEU 143 Cb 0.56 -0.71 0.24 0.00 -2.33 0.00 0.00 43.42 41.17 2g33 n LEU 143 CO 0.56 -1.67 0.62 -2.65 -1.33 0.00 0.00 177.39 172.91 2g33 n PRO 144 N 5.82 0.10 -1.43 3.23 -0.02 -1.26 -4.73 135.00 136.71 2g33 n PRO 144 Ca 0.55 0.23 -0.48 0.00 -2.02 0.00 0.00 63.50 61.78 2g33 n PRO 144 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2g33 n PRO 144 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2g33 n GLU 145 N -1.35 0.19 -0.66 -0.52 1.02 -1.26 -4.95 120.64 113.11 2g33 n GLU 145 Ca 0.04 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 2g33 n GLU 145 Cb 0.09 -1.13 0.18 0.00 -0.02 0.00 0.00 31.44 30.56 2g33 n GLU 145 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2g33 n THR 146 N 0.07 0.00 -0.00 2.62 5.66 -1.26 -5.04 114.28 116.32 2g33 n THR 146 Ca 0.17 -0.31 -0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2g33 n THR 146 Cb 0.26 -0.62 -0.00 0.00 -1.55 0.00 0.00 70.33 68.41 2g33 n THR 146 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2g33 n THR 147 N -4.49 0.04 0.00 1.09 -2.24 -1.26 -5.18 114.28 102.24 2g33 n THR 147 Ca 0.00 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2g33 n THR 147 Cb 0.62 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2g33 n THR 147 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02