#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 6.11 -0.04 6.12 -1.08 -1.26 -5.06 116.67 121.46 2g33 s ASP 2 Ca 0.00 0.10 -0.25 0.00 -0.52 0.00 0.00 52.55 51.88 2g33 s ASP 2 Cb 0.00 -2.12 0.05 0.00 -1.46 0.00 0.00 42.92 39.39 2g33 s ASP 2 CO 0.00 0.00 0.54 0.27 0.52 0.00 0.00 175.17 176.50 2g33 s ILE 3 N 1.38 0.02 -0.10 4.11 -5.25 -1.26 -5.18 121.20 114.93 2g33 s ILE 3 Ca 0.08 -0.18 0.01 0.00 -0.99 0.00 0.00 60.65 59.57 2g33 s ILE 3 Cb -0.15 -0.85 -0.02 0.00 2.95 0.00 0.00 42.46 44.39 2g33 s ILE 3 CO 0.07 -0.10 -0.11 -0.62 -1.79 0.00 0.00 174.94 172.39 2g33 s ASP 4 N -1.25 4.22 0.00 4.36 -1.08 -1.26 -5.01 116.67 116.65 2g33 s ASP 4 Ca -0.12 -0.21 0.10 0.00 -0.52 0.00 0.00 52.55 51.80 2g33 s ASP 4 Cb -0.02 -1.31 0.53 0.00 -1.46 0.00 0.00 42.92 40.67 2g33 s ASP 4 CO 0.08 0.26 1.17 -2.65 0.52 0.00 0.00 175.17 174.55 2g33 n PRO 5 N 2.91 0.19 -0.04 4.34 -0.02 -1.26 -3.31 135.00 137.80 2g33 n PRO 5 Ca -0.18 0.15 -0.04 0.00 -2.02 0.00 0.00 63.50 61.40 2g33 n PRO 5 Cb 0.53 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.22 0.00 -0.18 6.00 4.01 -1.26 -4.56 117.16 119.95 2g33 n TYR 6 Ca 0.05 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.05 2g33 n TYR 6 Cb 0.07 -0.37 0.40 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.41 0.01 -0.03 -0.72 5.02 -0.67 0.10 118.16 119.47 2g33 n LYS 7 Ca -0.13 0.98 -0.13 0.00 -2.02 0.00 0.00 58.31 57.00 2g33 n LYS 7 Cb 0.72 -2.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.19 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 0.10 -2.08 1.97 4.81 -1.80 -3.30 114.58 114.28 2g33 h GLU 8 Ca 0.45 -0.07 -0.78 0.00 -0.13 0.00 0.00 59.36 58.84 2g33 h GLU 8 Cb 2.79 0.01 -0.27 0.00 0.63 0.00 0.00 28.75 31.91 2g33 h GLU 8 CO -0.00 0.66 1.04 1.19 -0.73 0.00 0.00 179.01 181.16 2g33 n PHE 9 N -4.71 2.92 -3.90 0.92 3.01 0.28 -4.88 117.46 111.09 2g33 n PHE 9 Ca -0.08 -2.41 -0.32 0.00 1.01 0.00 0.00 57.45 55.65 2g33 n PHE 9 Cb 0.34 -1.18 0.01 0.00 -0.01 0.00 0.00 39.48 38.64 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 -0.39 -0.65 3.80 1.37 0.00 -1.15 -4.91 105.19 103.26 2g33 n GLY 10 Ca 0.52 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.74 -1.47 0.08 4.61 0.00 -0.98 -5.01 121.76 115.25 2g33 s ALA 11 Ca 0.30 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2g33 s ALA 11 Cb -0.17 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2g33 s ALA 11 CO 0.69 -1.04 -0.08 -0.08 0.00 0.00 0.00 175.76 175.25 2g33 s THR 12 N -3.47 0.74 0.01 0.00 -1.32 -1.26 -1.67 115.64 108.66 2g33 s THR 12 Ca 0.12 -1.58 -0.21 0.00 -1.21 0.00 0.00 61.69 58.81 2g33 s THR 12 Cb -0.03 -1.25 -0.12 0.00 -1.51 0.00 0.00 72.50 69.59 2g33 s THR 12 CO 0.04 -0.61 1.00 1.62 -2.21 0.00 0.00 174.62 174.46 2g33 h VAL 13 N 3.63 0.00 -1.84 5.08 3.04 -1.97 -2.78 116.25 121.41 2g33 h VAL 13 Ca -0.36 -0.25 0.54 0.00 -1.01 0.00 0.00 66.70 65.61 2g33 h VAL 13 Cb 1.18 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 30.39 2g33 h VAL 13 CO 0.53 0.00 1.33 1.21 -1.01 0.00 0.00 177.57 179.63 2g33 n GLU 14 N -4.74 -0.00 0.10 4.17 2.13 -1.26 0.15 120.64 121.20 2g33 n GLU 14 Ca -0.09 1.01 -0.13 0.00 0.66 0.00 0.00 57.16 58.61 2g33 n GLU 14 Cb 0.30 -2.34 -0.08 0.00 0.27 0.00 0.00 31.44 29.59 2g33 n GLU 14 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2g33 h LEU 15 N 0.00 -0.22 -1.95 4.31 6.46 -1.92 -3.04 115.31 118.96 2g33 h LEU 15 Ca 0.88 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 58.41 2g33 h LEU 15 Cb 3.53 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 43.51 2g33 h LEU 15 CO -0.02 0.11 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.76 2g33 h LEU 16 N -0.56 0.00 0.00 2.25 3.38 0.15 0.54 115.31 121.07 2g33 h LEU 16 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2g33 h LEU 16 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2g33 h LEU 16 CO 0.04 0.08 0.06 -0.24 0.09 0.00 0.00 178.44 178.47 2g33 n SER 17 N -4.23 0.00 0.15 -0.43 2.88 -0.99 0.14 113.62 111.14 2g33 n SER 17 Ca -0.03 0.41 0.13 0.00 -1.33 0.00 0.00 58.87 58.05 2g33 n SER 17 Cb 0.16 -0.41 0.51 0.00 -0.75 0.00 0.00 64.21 63.71 2g33 n SER 17 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2g33 h PHE 18 N 0.00 0.00 -3.77 0.66 3.57 0.02 -3.43 116.94 113.99 2g33 h PHE 18 Ca 0.00 0.00 -0.68 0.00 3.53 0.00 0.00 57.97 60.82 2g33 h PHE 18 Cb 0.12 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 38.65 2g33 h PHE 18 CO 0.00 0.00 -0.73 -0.51 -2.23 0.00 0.00 178.31 174.84 2g33 s LEU 19 N -4.72 2.98 0.18 0.59 1.43 0.38 -4.96 118.68 114.57 2g33 s LEU 19 Ca 0.04 -0.11 -0.33 0.00 -1.03 0.00 0.00 54.13 52.70 2g33 s LEU 19 Cb 0.09 -1.64 -0.14 0.00 0.03 0.00 0.00 46.19 44.54 2g33 s LEU 19 CO 0.43 0.34 1.45 -2.65 0.23 0.00 0.00 176.35 176.15 2g33 n PRO 20 N 2.38 1.90 -0.18 1.29 -0.02 -1.26 -4.83 135.00 134.28 2g33 n PRO 20 Ca -0.18 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2g33 n PRO 20 Cb 0.53 -2.37 0.47 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.93 0.46 0.52 2.55 0.02 -1.94 0.39 113.55 120.48 2g33 h SER 21 Ca -0.45 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2g33 h SER 21 Cb 1.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2g33 h SER 21 CO 0.81 0.24 0.00 -0.90 -1.14 0.00 0.00 176.83 175.85 2g33 n ASP 22 N -4.49 0.00 0.11 3.07 5.68 -1.26 -3.93 116.55 115.73 2g33 n ASP 22 Ca 0.14 0.45 -0.05 0.00 -0.50 0.00 0.00 54.79 54.83 2g33 n ASP 22 Cb 0.48 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 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 -0.28 -3.51 2.11 3.04 -0.56 -3.46 116.94 114.27 2g33 h PHE 23 Ca 0.00 -0.01 -0.56 0.00 3.98 0.00 0.00 57.97 61.38 2g33 h PHE 23 Cb 0.26 0.09 0.12 0.00 2.56 0.00 0.00 35.95 38.98 2g33 h PHE 23 CO 0.00 -0.18 0.54 1.19 -2.02 0.00 0.00 178.31 177.84 2g33 n PHE 24 N -3.21 2.31 -1.63 0.41 0.99 -1.25 -4.94 117.46 110.14 2g33 n PHE 24 Ca -0.04 0.51 -0.40 0.00 -0.00 0.00 0.00 57.45 57.53 2g33 n PHE 24 Cb 0.12 -2.41 0.03 0.00 -1.00 0.00 0.00 39.48 36.21 2g33 n PHE 24 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2g33 n PRO 25 N 0.29 1.29 -2.14 -1.08 -0.02 -1.26 -4.93 135.00 127.15 2g33 n PRO 25 Ca 0.05 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2g33 n PRO 25 Cb 0.38 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 2g33 n PRO 25 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2g33 s SER 26 N -0.89 6.81 0.08 2.55 1.04 -1.26 -4.85 113.70 117.18 2g33 s SER 26 Ca 0.67 2.64 -0.15 0.00 0.48 0.00 0.00 55.95 59.59 2g33 s SER 26 Cb -0.49 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 62.95 2g33 s SER 26 CO 0.53 -0.52 0.92 0.52 0.98 0.00 0.00 173.24 175.67 2g33 n VAL 27 N 1.06 -0.33 -0.25 5.02 0.31 -1.26 -1.03 118.33 121.85 2g33 n VAL 27 Ca 0.01 1.43 -0.06 0.00 -0.01 0.00 0.00 64.34 65.71 2g33 n VAL 27 Cb 0.42 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 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 -4.25 -0.26 -0.02 5.55 3.00 -1.26 -0.18 116.66 119.23 2g33 n ARG 28 Ca 0.01 0.88 -0.09 0.00 -0.00 0.00 0.00 57.85 58.65 2g33 n ARG 28 Cb 0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 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 -1.07 -0.48 6.15 3.32 -1.45 -2.81 116.42 120.08 2g33 h ASP 29 Ca 0.09 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.33 2g33 h ASP 29 Cb 0.24 0.42 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 2g33 h ASP 29 CO -0.55 -0.28 -0.51 -0.07 -1.72 0.00 0.00 179.24 176.10 2g33 h LEU 30 N -0.33 -1.74 -0.51 1.55 4.07 -0.50 0.29 115.31 118.14 2g33 h LEU 30 Ca 0.02 0.24 0.08 0.00 0.08 0.00 0.00 57.88 58.30 2g33 h LEU 30 Cb 0.40 0.73 -0.10 0.00 1.08 0.00 0.00 40.66 42.77 2g33 h LEU 30 CO -0.29 -0.33 -0.44 -0.07 -1.08 0.00 0.00 178.44 176.24 2g33 h LEU 31 N -0.28 -1.48 0.25 1.67 3.38 -1.36 0.71 115.31 118.20 2g33 h LEU 31 Ca 0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2g33 h LEU 31 Cb 0.50 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2g33 h LEU 31 CO -0.60 -0.35 -0.50 0.44 0.09 0.00 0.00 178.44 177.52 2g33 h ASP 32 N -0.27 -1.45 -0.92 -0.43 3.32 -1.15 -1.99 116.42 113.54 2g33 h ASP 32 Ca 0.16 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.48 2g33 h ASP 32 Cb 0.57 0.51 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 2g33 h ASP 32 CO -0.64 -0.57 -0.42 0.74 -1.72 0.00 0.00 179.24 176.63 2g33 h THR 33 N -0.81 0.03 0.00 0.35 2.02 0.26 -1.59 112.91 113.16 2g33 h THR 33 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2g33 h THR 33 Cb 0.77 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2g33 h THR 33 CO -0.19 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.70 2g33 n ALA 34 N -3.37 0.00 0.00 6.16 0.00 0.24 -3.54 120.51 119.99 2g33 n ALA 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2g33 n ALA 34 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.00 0.39 -0.74 0.00 0.00 -0.80 0.21 120.51 116.57 2g33 n ALA 35 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2g33 n ALA 35 Cb 0.00 -0.38 0.36 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.17 3.87 0.00 0.00 0.00 -0.60 -2.65 120.51 119.96 2g33 n ALA 36 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2g33 n ALA 36 Cb 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.47 0.00 0.00 0.00 7.94 0.56 -4.94 117.00 121.03 2g33 n LEU 37 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 2g33 n LEU 37 Cb 1.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.09 2g33 n LEU 37 CO 0.31 0.00 -0.50 -1.22 -1.11 0.00 0.00 177.39 174.87 2g33 n TYR 38 N -0.28 0.00 0.00 1.96 4.01 -0.79 -4.88 117.16 117.18 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 -1.82 0.00 -0.31 -0.72 0.63 -1.08 0.40 116.66 113.75 2g33 n ARG 39 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2g33 n ARG 39 Cb 0.32 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.21 2g33 n ARG 39 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2g33 n ASP 40 N -0.12 -0.67 -0.27 6.15 8.00 -1.26 0.12 116.55 128.50 2g33 n ASP 40 Ca 0.00 1.37 0.18 0.00 0.71 0.00 0.00 54.79 57.05 2g33 n ASP 40 Cb 0.00 -0.24 0.47 0.00 -0.02 0.00 0.00 41.12 41.33 2g33 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g33 h ALA 41 N 0.71 2.11 0.12 2.24 0.00 0.74 -3.05 119.26 122.13 2g33 h ALA 41 Ca 0.19 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.82 2g33 h ALA 41 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2g33 h ALA 41 CO -0.75 -0.41 -1.66 -0.07 0.00 0.00 0.00 179.25 176.35 2g33 h LEU 42 N 0.48 0.41 -2.25 0.00 3.38 0.13 -3.29 115.31 114.17 2g33 h LEU 42 Ca 0.50 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2g33 h LEU 42 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2g33 h LEU 42 CO -0.22 1.72 0.00 -0.62 0.09 0.00 0.00 178.44 179.41 2g33 n GLU 43 N -3.76 0.79 -4.23 1.13 1.02 -0.09 -4.75 120.64 110.75 2g33 n GLU 43 Ca -0.28 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.61 2g33 n GLU 43 Cb 0.96 -1.11 -0.07 0.00 -0.02 0.00 0.00 31.44 31.20 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 1.20 4.71 0.00 1.62 0.15 -1.21 -5.01 113.70 115.17 2g33 s SER 44 Ca 0.00 -0.47 0.24 0.00 0.70 0.00 0.00 55.95 56.42 2g33 s SER 44 Cb 0.00 -0.97 1.11 0.00 -1.71 0.00 0.00 66.02 64.45 2g33 s SER 44 CO 0.00 0.06 1.76 -2.65 1.20 0.00 0.00 173.24 173.60 2g33 n PRO 45 N -0.41 1.45 -3.61 5.44 -0.02 -1.26 -4.86 135.00 131.73 2g33 n PRO 45 Ca -0.09 -0.66 -0.38 0.00 -2.02 0.00 0.00 63.50 60.35 2g33 n PRO 45 Cb 0.56 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.93 3.87 -0.08 -0.52 0.41 -1.26 -4.95 118.70 114.24 2g33 s GLU 46 Ca 0.36 -0.37 -0.03 0.00 -0.41 0.00 0.00 54.97 54.53 2g33 s GLU 46 Cb 0.18 -3.63 -0.07 0.00 -1.78 0.00 0.00 34.13 28.84 2g33 s GLU 46 CO 0.29 -0.20 2.65 -2.39 -0.49 0.00 0.00 175.26 175.12 2g33 n HIS 47 N 5.05 0.32 -0.01 1.61 1.44 -1.26 -4.73 115.22 117.64 2g33 n HIS 47 Ca -0.14 -1.38 0.01 0.00 -2.01 0.00 0.00 57.72 54.20 2g33 n HIS 47 Cb 0.52 -1.03 0.01 0.00 0.12 0.00 0.00 29.99 29.61 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 1.66 0.03 -3.59 1.59 0.00 -1.26 -4.23 120.51 114.71 2g33 n ALA 48 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 2g33 n ALA 48 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -4.00 -0.16 0.18 0.00 1.04 -1.26 -5.03 113.70 104.46 2g33 s SER 49 Ca -0.00 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 2g33 s SER 49 Cb 0.00 0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.40 2g33 s SER 49 CO 0.01 -0.33 1.84 1.55 0.98 0.00 0.00 173.24 177.30 2g33 h PRO 50 N 2.00 0.71 -0.80 4.02 0.13 -1.99 -2.54 132.00 133.53 2g33 h PRO 50 Ca -0.14 -0.04 0.12 0.00 -0.87 0.00 0.00 66.00 65.06 2g33 h PRO 50 Cb 1.18 -0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.02 2g33 h PRO 50 CO 0.25 0.47 -0.42 0.45 -0.23 0.00 0.00 178.00 178.52 2g33 h HIS 51 N 0.73 -1.21 0.00 1.56 3.86 -1.96 0.47 115.15 118.61 2g33 h HIS 51 Ca 0.21 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2g33 h HIS 51 Cb -0.07 0.64 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2g33 h HIS 51 CO -0.04 -0.40 0.00 0.72 0.86 0.00 0.00 177.93 179.07 2g33 n HIS 52 N -5.42 0.00 0.00 2.45 8.25 -0.99 -1.80 115.22 117.71 2g33 n HIS 52 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2g33 n HIS 52 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.57 0.00 0.00 1.59 -1.04 -0.80 -1.70 114.28 111.77 2g33 n THR 53 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2g33 n THR 53 Cb 0.00 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.51 0.00 0.00 2.41 0.00 0.16 -2.78 120.51 118.78 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 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.46 0.00 -0.22 0.00 0.00 -0.69 0.74 117.00 116.38 2g33 n LEU 55 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 2g33 n LEU 55 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.49 2g33 n LEU 55 CO 0.00 0.00 0.38 0.54 0.00 0.00 0.00 177.39 178.31 2g33 n ARG 56 N -2.75 -0.07 -0.02 1.96 1.74 -0.88 0.11 116.66 116.75 2g33 n ARG 56 Ca 0.00 0.92 -0.04 0.00 -0.77 0.00 0.00 57.85 57.96 2g33 n ARG 56 Cb 0.00 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -0.13 -0.30 5.56 1.08 0.24 -2.26 115.11 119.31 2g33 h GLN 57 Ca 0.26 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.50 2g33 h GLN 57 Cb 0.41 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2g33 h GLN 57 CO -0.60 -0.08 -0.17 0.00 -0.95 0.00 0.00 178.83 177.02 2g33 n ALA 58 N -2.76 -0.19 0.05 3.87 0.00 0.30 -0.44 120.51 121.34 2g33 n ALA 58 Ca -0.01 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 2g33 n ALA 58 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 -0.80 0.00 5.03 -1.22 -0.84 117.51 119.68 2g33 h ILE 59 Ca 0.05 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.95 2g33 h ILE 59 Cb 0.12 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.81 2g33 h ILE 59 CO -0.28 0.00 0.33 -0.07 -0.68 0.00 0.00 178.15 177.44 2g33 h LEU 60 N -0.25 0.29 -1.95 1.44 3.38 -0.58 2.63 115.31 120.27 2g33 h LEU 60 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2g33 h LEU 60 Cb 0.24 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2g33 h LEU 60 CO -0.06 0.08 -0.07 0.00 0.09 0.00 0.00 178.44 178.47 2g33 h ALA 61 N 1.60 1.75 0.11 1.53 0.00 -0.90 -0.49 119.26 122.85 2g33 h ALA 61 Ca 0.46 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 55.04 2g33 h ALA 61 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2g33 h ALA 61 CO -0.44 0.09 -1.35 2.35 0.00 0.00 0.00 179.25 179.90 2g33 h TRP 62 N 0.00 0.41 -0.82 0.00 2.91 0.19 -3.31 115.95 115.34 2g33 h TRP 62 Ca -0.00 -0.30 0.21 0.00 1.13 0.00 0.00 58.89 59.93 2g33 h TRP 62 Cb 0.14 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 28.72 2g33 h TRP 62 CO 0.00 1.53 0.56 0.78 -1.03 0.00 0.00 178.44 180.28 2g33 h GLY 63 N -0.02 0.44 2.00 2.65 0.00 0.47 1.53 103.07 110.14 2g33 h GLY 63 Ca -0.29 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2g33 h GLY 63 CO 0.05 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.81 2g33 n ASP 64 N -4.41 0.68 -0.04 0.19 8.00 -0.24 -0.91 116.55 119.81 2g33 n ASP 64 Ca 0.17 0.68 -0.16 0.00 0.71 0.00 0.00 54.79 56.19 2g33 n ASP 64 Cb 0.74 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 2g33 n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2g33 n LEU 65 N -2.27 2.00 0.00 0.64 4.77 0.51 -2.22 117.00 120.44 2g33 n LEU 65 Ca 0.02 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 2g33 n LEU 65 Cb 0.21 -0.59 0.69 0.00 -2.33 0.00 0.00 43.42 41.40 2g33 n LEU 65 CO 0.19 0.73 0.99 0.23 -1.33 0.00 0.00 177.39 178.20 2g33 n MET 66 N -3.25 0.23 -0.16 3.23 2.81 -0.58 -0.12 117.12 119.28 2g33 n MET 66 Ca -0.32 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.67 2g33 n MET 66 Cb 1.05 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 32.24 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 -1.39 0.50 -0.05 2.03 -1.04 -0.09 -4.05 114.28 110.20 2g33 n THR 67 Ca 0.11 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.05 61.25 2g33 n THR 67 Cb 0.29 0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 69.71 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 1.20 0.98 0.32 -4.42 7.94 -0.44 -4.44 117.00 118.13 2g33 n LEU 68 Ca 0.16 0.16 0.20 0.00 -1.11 0.00 0.00 56.01 55.42 2g33 n LEU 68 Cb 0.53 -0.39 1.08 0.00 0.53 0.00 0.00 43.42 45.17 2g33 n LEU 68 CO 0.13 0.12 1.15 0.00 -1.11 0.00 0.00 177.39 177.68 2g33 h ALA 69 N -0.44 1.18 0.04 1.96 0.00 -0.72 -0.66 119.26 120.62 2g33 h ALA 69 Ca -0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 2g33 h ALA 69 Cb 1.13 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.94 2g33 h ALA 69 CO -0.16 0.01 -1.10 1.79 0.00 0.00 0.00 179.25 179.79 2g33 h THR 70 N 0.00 1.28 0.00 0.00 1.35 -1.80 -3.06 112.91 110.68 2g33 h THR 70 Ca -0.00 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 2g33 h THR 70 Cb 0.04 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2g33 h THR 70 CO 0.00 0.71 0.00 1.87 -0.25 0.00 0.00 175.52 177.85 2g33 n TRP 71 N -3.85 0.00 -0.96 4.73 -0.00 -0.28 -2.28 117.44 114.80 2g33 n TRP 71 Ca -0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.44 2g33 n TRP 71 Cb 0.91 0.00 0.35 0.00 -0.00 0.00 0.00 31.31 32.57 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 -0.68 2.62 -0.02 5.87 0.31 -1.08 -3.80 118.33 121.55 2g33 n VAL 72 Ca 0.05 -1.62 0.00 0.00 -0.01 0.00 0.00 64.34 62.76 2g33 n VAL 72 Cb 0.02 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.13 0.69 0.12 2.92 0.00 -0.97 -4.32 105.19 103.77 2g33 n GLY 73 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 0.96 0.00 2.61 2.02 -1.69 -3.40 112.91 113.41 2g33 h THR 74 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2g33 h THR 74 Cb 0.00 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2g33 h THR 74 CO 0.00 0.82 -0.04 0.59 0.37 0.00 0.00 175.52 177.26 2g33 n ASN 75 N -3.46 1.20 -3.06 4.18 3.02 -1.25 -4.91 115.26 110.98 2g33 n ASN 75 Ca -0.22 -1.77 -0.16 0.00 -0.03 0.00 0.00 54.58 52.40 2g33 n ASN 75 Cb 1.05 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.15 2g33 n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2g33 n LEU 76 N -0.39 1.06 -2.31 3.41 4.77 -1.26 -4.92 117.00 117.36 2g33 n LEU 76 Ca 0.02 -4.74 -0.23 0.00 -0.03 0.00 0.00 56.01 51.02 2g33 n LEU 76 Cb 0.41 0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 42.08 2g33 n LEU 76 CO 0.00 2.13 1.50 -1.84 -1.33 0.00 0.00 177.39 177.86 2g33 n GLU 77 N 0.19 2.23 0.00 3.23 0.00 -1.26 -4.57 120.64 120.45 2g33 n GLU 77 Ca 0.22 -2.04 0.00 0.00 0.00 0.00 0.00 57.16 55.34 2g33 n GLU 77 Cb 0.69 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 30.12 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 0.91 0.00 0.00 -1.84 8.00 -1.26 -5.07 116.55 117.29 2g33 n ASP 78 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 2g33 n ASP 78 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2g33 n ASP 78 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2g33 n PRO 79 N 0.00 0.00 -0.01 -0.24 -0.02 -1.26 -4.81 135.00 128.66 2g33 n PRO 79 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2g33 n PRO 79 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 2g33 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g33 n ALA 80 N -3.00 3.04 -3.03 3.55 0.00 -1.26 -4.82 120.51 115.00 2g33 n ALA 80 Ca 0.00 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.49 2g33 n ALA 80 Cb 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 2g33 n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2g33 s SER 81 N -4.18 6.71 0.00 0.00 1.04 -1.26 -3.24 113.70 112.77 2g33 s SER 81 Ca -0.05 -2.30 0.00 0.00 0.48 0.00 0.00 55.95 54.07 2g33 s SER 81 Cb 0.14 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2g33 s SER 81 CO 0.86 -0.91 0.00 -1.14 0.98 0.00 0.00 173.24 173.03 2g33 n ARG 82 N 5.81 0.00 -0.00 4.02 0.63 -1.26 -4.85 116.66 121.01 2g33 n ARG 82 Ca 0.23 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2g33 n ARG 82 Cb 0.48 -0.03 -0.00 0.00 0.45 0.00 0.00 32.46 33.36 2g33 n ARG 82 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2g33 n ASP 83 N 0.00 0.05 -0.83 6.15 8.00 -1.20 -4.72 116.55 124.00 2g33 n ASP 83 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2g33 n ASP 83 Cb 0.04 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.55 1.09 -0.05 0.64 7.94 -1.26 -1.70 117.00 121.12 2g33 n LEU 84 Ca -0.00 -0.54 -0.08 0.00 -1.11 0.00 0.00 56.01 54.28 2g33 n LEU 84 Cb 0.01 -0.23 -0.04 0.00 0.53 0.00 0.00 43.42 43.68 2g33 n LEU 84 CO 0.00 0.19 -0.81 1.33 -1.11 0.00 0.00 177.39 177.00 2g33 n VAL 85 N 0.60 0.53 0.21 1.96 0.24 -1.26 -4.37 118.33 116.24 2g33 n VAL 85 Ca 0.00 -0.18 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 2g33 n VAL 85 Cb 0.19 -1.08 0.44 0.00 -1.47 0.00 0.00 33.84 31.93 2g33 n VAL 85 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2g33 h VAL 86 N -0.11 0.89 0.00 3.34 2.07 -1.61 -2.75 116.25 118.07 2g33 h VAL 86 Ca -0.22 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2g33 h VAL 86 Cb 1.29 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2g33 h VAL 86 CO -0.07 0.30 0.00 -0.24 0.02 0.00 0.00 177.57 177.58 2g33 n SER 87 N -3.69 0.00 -0.09 0.57 2.88 -1.07 -0.75 113.62 111.47 2g33 n SER 87 Ca -0.01 0.46 0.02 0.00 -1.33 0.00 0.00 58.87 58.01 2g33 n SER 87 Cb 0.41 -0.04 0.05 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.63 0.11 0.00 0.66 9.36 -1.23 0.77 117.16 126.20 2g33 n TYR 88 Ca 0.00 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.53 2g33 n TYR 88 Cb 0.00 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 38.05 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 -4.32 0.00 0.00 2.97 0.31 -1.04 0.39 118.33 116.64 2g33 n VAL 89 Ca 0.05 0.88 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2g33 n VAL 89 Cb 0.15 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 -0.46 0.00 -0.05 4.52 3.02 0.16 0.11 115.26 122.55 2g33 n ASN 90 Ca 0.00 0.22 -0.06 0.00 -0.03 0.00 0.00 54.58 54.71 2g33 n ASN 90 Cb 0.00 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 2g33 n ASN 90 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2g33 n THR 91 N -1.18 0.56 -0.11 3.41 -1.04 0.23 -4.59 114.28 111.56 2g33 n THR 91 Ca 0.00 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 2g33 n THR 91 Cb 0.16 -0.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 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 -2.70 1.75 -0.07 8.00 5.15 1.27 -4.65 115.26 124.01 2g33 n ASN 92 Ca -0.17 0.30 -0.14 0.00 -0.60 0.00 0.00 54.58 53.98 2g33 n ASN 92 Cb 0.70 -0.72 -0.14 0.00 -0.53 0.00 0.00 39.78 39.09 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 -4.15 1.53 -0.29 3.44 3.14 0.20 -3.52 118.33 118.67 2g33 n VAL 93 Ca -0.41 -0.73 0.21 0.00 -2.96 0.00 0.00 64.34 60.45 2g33 n VAL 93 Cb 0.76 -1.06 0.51 0.00 -1.06 0.00 0.00 33.84 33.00 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 2.87 1.04 0.65 7.55 0.00 0.49 0.33 103.07 116.00 2g33 h GLY 94 Ca -0.48 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 2g33 h GLY 94 CO 0.02 -0.07 -0.01 -2.00 0.00 0.00 0.00 176.54 174.48 2g33 h LEU 95 N 0.40 -0.01 -2.01 3.11 5.85 -1.74 0.56 115.31 121.46 2g33 h LEU 95 Ca 0.54 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2g33 h LEU 95 Cb 1.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2g33 h LEU 95 CO -0.24 0.33 0.41 0.50 -0.34 0.00 0.00 178.44 179.10 2g33 h LYS 96 N -0.37 0.00 0.00 1.25 3.64 -0.47 0.63 116.57 121.25 2g33 h LYS 96 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2g33 h LYS 96 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2g33 h LYS 96 CO 0.00 0.00 -1.05 1.19 -2.27 0.00 0.00 179.45 177.32 2g33 n PHE 97 N -3.77 0.58 0.30 1.91 3.01 -0.14 -3.63 117.46 115.72 2g33 n PHE 97 Ca 0.07 0.25 0.19 0.00 1.01 0.00 0.00 57.45 58.97 2g33 n PHE 97 Cb 0.58 -0.80 0.99 0.00 -0.01 0.00 0.00 39.48 40.24 2g33 n PHE 97 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2g33 h ARG 98 N -1.00 0.00 0.00 -1.08 0.11 0.33 0.57 114.38 113.31 2g33 h ARG 98 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2g33 h ARG 98 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2g33 h ARG 98 CO -0.10 0.00 0.00 0.94 0.10 0.00 0.00 179.97 180.91 2g33 n GLN 99 N -3.26 0.00 -0.29 0.08 7.27 0.22 -1.79 117.38 119.61 2g33 n GLN 99 Ca -0.01 0.02 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 2g33 n GLN 99 Cb 0.23 -0.78 0.03 0.00 2.41 0.00 0.00 30.24 32.14 2g33 n GLN 99 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2g33 h LEU 100 N 0.00 -1.22 -0.01 1.69 6.46 -1.55 -2.83 115.31 117.86 2g33 h LEU 100 Ca 0.00 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2g33 h LEU 100 Cb 0.00 0.64 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2g33 h LEU 100 CO 0.00 -0.29 -0.00 -0.11 -0.62 0.00 0.00 178.44 177.41 2g33 n LEU 101 N -5.46 -0.01 0.00 2.25 0.00 0.20 -1.25 117.00 112.72 2g33 n LEU 101 Ca 0.08 0.96 0.00 0.00 0.00 0.00 0.00 56.01 57.04 2g33 n LEU 101 Cb 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.33 2g33 n LEU 101 CO -0.06 -0.48 0.40 1.87 0.00 0.00 0.00 177.39 179.12 2g33 n TRP 102 N -2.97 0.00 0.00 1.96 -0.00 -0.74 -2.42 117.44 113.27 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 -0.38 0.00 0.00 -0.00 0.00 0.00 31.31 30.93 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 -2.65 0.00 0.00 5.87 7.35 -0.38 -1.60 117.46 126.05 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 -0.73 0.00 -0.01 -5.13 8.25 -1.02 -1.60 115.22 114.99 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 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.45 -0.02 0.03 1.59 5.41 -0.63 0.25 119.36 124.54 2g33 n ILE 105 Ca 0.00 0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.81 2g33 n ILE 105 Cb 0.00 -0.11 -0.01 0.00 -0.71 0.00 0.00 39.64 38.81 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 -0.11 -0.98 4.38 0.02 -1.14 -2.53 113.55 113.19 2g33 h SER 106 Ca 0.02 0.01 0.35 0.00 -0.84 0.00 0.00 61.79 61.32 2g33 h SER 106 Cb 0.02 0.04 -0.18 0.00 0.14 0.00 0.00 62.40 62.42 2g33 h SER 106 CO -0.04 -0.06 0.31 0.00 -1.14 0.00 0.00 176.83 175.91 2g33 n ALA 107 N -2.27 0.79 0.31 3.77 0.00 0.14 0.13 120.51 123.38 2g33 n ALA 107 Ca -0.01 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.45 2g33 n ALA 107 Cb 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2g33 n ALA 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g33 n LEU 108 N -5.31 0.79 0.00 0.00 4.32 -0.95 0.20 117.00 116.05 2g33 n LEU 108 Ca 0.31 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2g33 n LEU 108 Cb 1.05 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.69 2g33 n LEU 108 CO -0.03 0.14 0.00 0.41 -1.22 0.00 0.00 177.39 176.69 2g33 n THR 109 N 0.73 0.00 -0.00 -5.08 -1.04 0.34 -4.96 114.28 104.26 2g33 n THR 109 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2g33 n THR 109 Cb 0.14 0.00 -0.01 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 -0.29 0.00 0.00 -1.42 3.01 -0.27 -4.86 117.46 113.63 2g33 n PHE 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2g33 n PHE 110 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 2.57 1.83 0.10 1.37 0.00 0.13 -4.35 105.19 106.84 2g33 n GLY 111 Ca -0.01 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 2.75 -0.11 0.16 1.61 5.12 -1.26 -0.96 116.66 123.97 2g33 n ARG 112 Ca 0.00 0.62 -0.14 0.00 -1.93 0.00 0.00 57.85 56.39 2g33 n ARG 112 Cb 0.00 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.31 2g33 n ARG 112 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2g33 h GLU 113 N 0.00 -0.70 -1.41 5.56 4.39 -1.92 -1.50 114.58 119.00 2g33 h GLU 113 Ca 0.04 0.05 0.48 0.00 0.34 0.00 0.00 59.36 60.27 2g33 h GLU 113 Cb 0.10 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 28.77 2g33 h GLU 113 CO -0.23 -0.46 0.91 2.41 -1.16 0.00 0.00 179.01 180.48 2g33 n THR 114 N -4.94 -0.24 0.04 1.13 -1.04 -0.14 -1.66 114.28 107.43 2g33 n THR 114 Ca -0.08 1.79 -0.02 0.00 -2.04 0.00 0.00 64.05 63.70 2g33 n THR 114 Cb 0.36 -2.93 -0.01 0.00 -1.82 0.00 0.00 70.33 65.93 2g33 n THR 114 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2g33 h VAL 115 N 0.00 0.00 -0.91 12.58 2.07 -0.17 -3.18 116.25 126.64 2g33 h VAL 115 Ca 0.88 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 68.40 2g33 h VAL 115 Cb 2.89 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 32.52 2g33 h VAL 115 CO -0.44 0.00 -0.41 0.18 0.02 0.00 0.00 177.57 176.92 2g33 n LEU 116 N -2.64 -0.70 0.06 2.57 4.77 -0.66 0.30 117.00 120.70 2g33 n LEU 116 Ca -0.01 1.59 0.21 0.00 -0.03 0.00 0.00 56.01 57.77 2g33 n LEU 116 Cb 0.04 -0.32 0.73 0.00 -2.33 0.00 0.00 43.42 41.55 2g33 n LEU 116 CO 0.03 -1.39 1.19 -0.33 -1.33 0.00 0.00 177.39 175.56 2g33 h GLU 117 N 0.00 0.00 0.00 3.23 5.08 -1.62 -2.70 114.58 118.57 2g33 h GLU 117 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2g33 h GLU 117 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2g33 h GLU 117 CO -0.89 0.00 0.00 0.98 -1.00 0.00 0.00 179.01 178.10 2g33 n TYR 118 N -3.75 0.00 0.00 4.33 9.36 0.87 -2.18 117.16 125.79 2g33 n TYR 118 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 2g33 n TYR 118 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 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 -0.19 0.00 0.00 2.98 4.32 -1.09 0.06 117.00 123.08 2g33 n LEU 119 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2g33 n LEU 119 Cb 0.00 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 2g33 n LEU 119 CO 0.00 -0.08 0.01 0.52 -1.22 0.00 0.00 177.39 176.62 2g33 n VAL 120 N -2.03 0.00 0.28 4.08 0.31 -1.04 0.29 118.33 120.22 2g33 n VAL 120 Ca 0.00 0.33 0.11 0.00 -0.01 0.00 0.00 64.34 64.76 2g33 n VAL 120 Cb 0.00 -0.64 0.56 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.00 0.00 4.52 0.02 -0.76 -2.68 113.55 114.65 2g33 h SER 121 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2g33 h SER 121 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2g33 h SER 121 CO 0.00 0.00 -0.47 0.33 -1.14 0.00 0.00 176.83 175.55 2g33 n PHE 122 N -2.55 0.70 0.25 3.45 -0.00 0.11 -3.83 117.46 115.59 2g33 n PHE 122 Ca -0.01 0.30 0.03 0.00 -0.00 0.00 0.00 57.45 57.77 2g33 n PHE 122 Cb 0.44 -0.66 0.05 0.00 -0.00 0.00 0.00 39.48 39.30 2g33 n PHE 122 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2g33 n GLY 123 N 1.62 -0.49 0.10 7.13 0.00 0.85 0.48 105.19 114.86 2g33 n GLY 123 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.76 0.05 1.61 2.07 -1.71 -2.60 116.25 116.43 2g33 h VAL 124 Ca 0.05 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2g33 h VAL 124 Cb 1.96 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 2g33 h VAL 124 CO -0.00 0.43 -0.13 -0.25 0.02 0.00 0.00 177.57 177.64 2g33 h TRP 125 N 0.00 -0.38 -0.75 1.57 7.01 1.06 0.30 115.95 124.76 2g33 h TRP 125 Ca -0.14 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.87 2g33 h TRP 125 Cb 1.65 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.84 2g33 h TRP 125 CO 0.00 -0.15 0.49 0.97 -2.79 0.00 0.00 178.44 176.95 2g33 h ILE 126 N -0.20 1.20 0.00 2.65 2.10 -1.69 -0.17 117.51 121.39 2g33 h ILE 126 Ca -0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.55 2g33 h ILE 126 Cb 0.19 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.02 2g33 h ILE 126 CO -0.06 0.20 0.00 -1.14 -1.08 0.00 0.00 178.15 176.06 2g33 n ARG 127 N -4.41 0.12 -3.96 2.19 3.00 -0.93 -4.65 116.66 108.02 2g33 n ARG 127 Ca 0.08 0.46 -0.36 0.00 -0.00 0.00 0.00 57.85 58.03 2g33 n ARG 127 Cb 0.04 -1.78 -0.07 0.00 0.00 0.00 0.00 32.46 30.65 2g33 n ARG 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2g33 s THR 128 N -3.28 5.19 0.82 5.15 2.01 0.10 -5.02 115.64 120.60 2g33 s THR 128 Ca 0.02 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2g33 s THR 128 Cb 0.07 -3.27 -0.13 0.00 0.01 0.00 0.00 72.50 69.18 2g33 s THR 128 CO 0.27 0.57 -0.42 -2.65 -0.69 0.00 0.00 174.62 171.70 2g33 n PRO 129 N 2.44 0.01 0.00 4.92 -0.02 -1.26 -4.83 135.00 136.25 2g33 n PRO 129 Ca -0.19 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2g33 n PRO 129 Cb 0.54 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2g33 n PRO 129 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2g33 n PRO 130 N 1.70 0.00 0.00 0.52 -0.04 -1.26 -3.18 135.00 132.74 2g33 n PRO 130 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2g33 n PRO 130 Cb 0.53 -0.40 0.11 0.00 -0.04 0.00 0.00 33.50 33.70 2g33 n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g33 n ALA 131 N -3.00 1.72 -0.85 0.55 0.00 -1.26 -2.18 120.51 115.50 2g33 n ALA 131 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2g33 n ALA 131 Cb 0.00 -1.06 0.26 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.79 0.98 -4.01 0.00 4.02 -1.19 -4.97 117.16 111.20 2g33 n TYR 132 Ca 0.03 -0.80 -0.11 0.00 -0.01 0.00 0.00 57.90 57.01 2g33 n TYR 132 Cb 0.01 -0.28 -0.12 0.00 -0.02 0.00 0.00 39.34 38.93 2g33 n TYR 132 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2g33 s ARG 133 N -2.50 0.37 1.00 -0.72 1.70 -0.93 -4.85 118.95 113.02 2g33 s ARG 133 Ca 0.41 -0.56 -0.21 0.00 -0.47 0.00 0.00 55.73 54.89 2g33 s ARG 133 Cb 0.31 -0.09 -0.16 0.00 -0.57 0.00 0.00 34.95 34.44 2g33 s ARG 133 CO 0.11 0.00 -1.07 -2.30 -1.08 0.00 0.00 175.30 170.96 2g33 n PRO 134 N 1.82 -0.04 -0.05 3.89 -0.02 -1.26 -4.85 135.00 134.49 2g33 n PRO 134 Ca -0.21 -0.01 -0.08 0.00 -2.02 0.00 0.00 63.50 61.17 2g33 n PRO 134 Cb 0.56 -1.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.98 2g33 n PRO 134 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2g33 h PRO 135 N -1.04 0.12 -5.88 0.52 0.11 -2.00 -3.44 132.00 120.40 2g33 h PRO 135 Ca -0.42 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.11 2g33 h PRO 135 Cb 1.34 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.29 2g33 h PRO 135 CO 0.23 0.08 -0.70 0.54 -0.21 0.00 0.00 178.00 177.94 2g33 s ASN 136 N -5.28 3.39 -0.21 -2.05 2.20 -1.26 -5.12 114.94 106.61 2g33 s ASN 136 Ca -0.13 -1.14 -0.22 0.00 -0.94 0.00 0.00 52.86 50.42 2g33 s ASN 136 Cb 0.10 -0.28 -0.02 0.00 -2.00 0.00 0.00 41.25 39.05 2g33 s ASN 136 CO 0.69 -0.17 0.71 0.00 -2.94 0.00 0.00 177.10 175.39 2g33 s ALA 137 N -2.71 3.57 0.23 3.54 0.00 -1.26 -5.02 121.76 120.12 2g33 s ALA 137 Ca 0.30 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.74 2g33 s ALA 137 Cb 0.01 -3.10 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 2g33 s ALA 137 CO 0.14 -0.70 1.30 -2.30 0.00 0.00 0.00 175.76 174.20 2g33 n PRO 138 N 5.40 1.75 -3.93 0.00 -0.02 -1.26 -4.99 135.00 131.95 2g33 n PRO 138 Ca 0.01 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 2g33 n PRO 138 Cb 0.49 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2g33 n PRO 138 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g33 s ILE 139 N -0.25 0.07 -0.30 4.25 1.01 -1.26 -4.94 121.20 119.78 2g33 s ILE 139 Ca 0.68 -1.31 -0.34 0.00 0.00 0.00 0.00 60.65 59.67 2g33 s ILE 139 Cb -0.70 -1.77 -0.15 0.00 0.01 0.00 0.00 42.46 39.85 2g33 s ILE 139 CO 0.52 -0.31 1.13 0.18 0.00 0.00 0.00 174.94 176.46 2g33 n LEU 140 N -0.21 0.73 -3.67 2.97 4.77 -1.26 -5.04 117.00 115.30 2g33 n LEU 140 Ca -0.08 0.89 -0.09 0.00 -0.03 0.00 0.00 56.01 56.70 2g33 n LEU 140 Cb 0.63 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 2g33 n LEU 140 CO 0.23 -0.79 0.06 -0.55 -1.33 0.00 0.00 177.39 175.01 2g33 s SER 141 N 1.82 -0.40 0.00 -1.43 0.15 -1.26 -5.13 113.70 107.45 2g33 s SER 141 Ca 0.77 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2g33 s SER 141 Cb -1.10 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2g33 s SER 141 CO 0.58 -0.22 0.51 0.41 1.20 0.00 0.00 173.24 175.73 2g33 n THR 142 N 5.01 0.00 0.00 6.45 -1.04 -1.26 -4.46 114.28 118.98 2g33 n THR 142 Ca -0.14 1.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.89 2g33 n THR 142 Cb 0.52 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 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 -0.77 0.00 0.00 -4.42 4.77 -1.26 -3.51 117.00 111.81 2g33 n LEU 143 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2g33 n LEU 143 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2g33 n LEU 143 CO 0.00 -0.27 0.44 -2.65 -1.33 0.00 0.00 177.39 173.58 2g33 n PRO 144 N -2.37 0.00 -4.24 3.23 -0.02 -1.26 -4.95 135.00 125.39 2g33 n PRO 144 Ca 0.00 0.28 -0.17 0.00 -2.02 0.00 0.00 63.50 61.59 2g33 n PRO 144 Cb 0.00 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 2g33 n PRO 144 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2g33 s GLU 145 N -2.49 0.65 0.00 -0.52 2.02 -1.23 -5.02 118.70 112.12 2g33 s GLU 145 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2g33 s GLU 145 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.64 2g33 s GLU 145 CO 0.00 0.15 0.00 2.41 0.02 0.00 0.00 175.26 177.84 2g33 n THR 146 N 2.33 0.00 0.00 3.63 -1.04 -1.26 -3.99 114.28 113.95 2g33 n THR 146 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2g33 n THR 146 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2g33 n THR 146 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84