#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 n GLU 2 N 0.00 0.69 -2.92 1.43 0.28 -1.26 -4.74 120.64 114.13 2gw6 n GLU 2 Ca 0.00 0.21 -0.44 0.00 -0.16 0.00 0.00 57.16 56.77 2gw6 n GLU 2 Cb 0.00 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 31.24 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2gw6 s ASP 3 N -6.78 6.54 -0.10 -1.84 1.01 -1.26 -4.66 116.67 109.57 2gw6 s ASP 3 Ca -0.30 -1.85 0.14 0.00 0.71 0.00 0.00 52.55 51.25 2gw6 s ASP 3 Cb 0.08 -2.40 0.24 0.00 1.01 0.00 0.00 42.92 41.85 2gw6 s ASP 3 CO 0.67 -1.13 1.12 0.00 0.21 0.00 0.00 175.17 176.04 2gw6 n ALA 4 N 6.74 2.33 -0.05 5.23 0.00 -1.26 -4.21 120.51 129.30 2gw6 n ALA 4 Ca 0.18 -2.30 -0.03 0.00 0.00 0.00 0.00 53.44 51.30 2gw6 n ALA 4 Cb 0.48 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 2gw6 n ALA 4 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2gw6 h TRP 5 N 0.13 0.00 -3.19 0.00 4.06 -1.83 -3.34 115.95 111.78 2gw6 h TRP 5 Ca -0.01 0.00 -0.75 0.00 2.06 0.00 0.00 58.89 60.19 2gw6 h TRP 5 Cb 1.13 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.06 2gw6 h TRP 5 CO 0.10 0.00 0.02 0.00 -3.56 0.00 0.00 178.44 175.00 2gw6 s MET 6 N -1.78 3.20 0.00 0.49 0.23 -1.26 -4.40 119.30 115.78 2gw6 s MET 6 Ca -0.08 -1.81 0.00 0.00 -1.03 0.00 0.00 55.69 52.77 2gw6 s MET 6 Cb 0.01 -4.36 0.00 0.00 -1.53 0.00 0.00 34.83 28.95 2gw6 s MET 6 CO 0.12 -1.41 0.00 0.41 -2.03 0.00 0.00 175.02 172.12 2gw6 n GLY 7 N 4.94 3.09 0.19 3.16 0.00 -1.26 -4.67 105.19 110.64 2gw6 n GLY 7 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2gw6 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gw6 n THR 8 N 0.00 0.00 -3.03 2.61 -1.04 -1.25 -4.80 114.28 106.76 2gw6 n THR 8 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2gw6 n THR 8 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 2gw6 n THR 8 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2gw6 s HIS 9 N -0.34 3.34 0.33 -1.42 3.76 -1.26 -4.10 115.29 115.60 2gw6 s HIS 9 Ca 0.00 0.99 0.11 0.00 -0.15 0.00 0.00 55.06 56.01 2gw6 s HIS 9 Cb 0.00 -2.90 0.91 0.00 1.11 0.00 0.00 32.58 31.70 2gw6 s HIS 9 CO 0.00 -0.28 1.74 -1.35 -0.85 0.00 0.00 174.74 174.01 2gw6 h PRO 10 N 7.62 0.55 -0.21 8.40 0.11 -1.92 0.59 132.00 147.13 2gw6 h PRO 10 Ca -0.28 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 2gw6 h PRO 10 Cb 1.12 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2gw6 h PRO 10 CO 0.80 0.37 -0.49 0.87 -0.21 0.00 0.00 178.00 179.34 2gw6 h LYS 11 N 0.57 0.55 -0.31 1.05 6.56 -1.95 0.13 116.57 123.17 2gw6 h LYS 11 Ca 0.63 -0.32 -0.06 0.00 -1.06 0.00 0.00 60.65 59.83 2gw6 h LYS 11 Cb 1.24 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2gw6 h LYS 11 CO -0.43 0.92 -0.04 -0.92 -2.06 0.00 0.00 179.45 176.92 2gw6 h TYR 12 N 0.44 0.65 -0.58 -1.35 3.20 -1.31 -2.27 116.97 115.73 2gw6 h TYR 12 Ca 0.02 -0.13 0.08 0.00 3.14 0.00 0.00 58.73 61.85 2gw6 h TYR 12 Cb 1.02 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 2gw6 h TYR 12 CO 0.04 0.74 0.23 1.25 -1.64 0.00 0.00 178.16 178.78 2gw6 h LEU 13 N 0.37 0.24 -0.89 2.82 5.85 0.26 0.18 115.31 124.14 2gw6 h LEU 13 Ca 0.08 0.07 0.19 0.00 0.84 0.00 0.00 57.88 59.06 2gw6 h LEU 13 Cb 0.51 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 2gw6 h LEU 13 CO 0.02 0.15 0.44 -0.33 -0.34 0.00 0.00 178.44 178.39 2gw6 h GLU 14 N 0.42 0.52 -0.07 1.25 4.39 -0.51 -1.13 114.58 119.44 2gw6 h GLU 14 Ca 0.29 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.73 2gw6 h GLU 14 Cb 0.33 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2gw6 h GLU 14 CO -0.28 0.34 -0.87 1.98 -1.16 0.00 0.00 179.01 179.03 2gw6 h MET 15 N 0.53 0.63 -0.59 2.33 4.05 -0.60 -3.20 114.93 118.09 2gw6 h MET 15 Ca 0.52 -0.58 0.06 0.00 -0.28 0.00 0.00 59.70 59.42 2gw6 h MET 15 Cb 0.88 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2gw6 h MET 15 CO -0.44 1.20 0.39 0.52 0.23 0.00 0.00 176.91 178.80 2gw6 h MET 16 N 0.40 0.55 0.00 0.39 2.86 0.51 -0.65 114.93 118.99 2gw6 h MET 16 Ca -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2gw6 h MET 16 Cb 1.49 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2gw6 h MET 16 CO 0.17 0.36 0.00 -1.91 1.06 0.00 0.00 176.91 176.59 2gw6 n GLU 17 N -4.47 0.05 -0.74 1.72 2.13 -0.77 -4.75 120.64 113.80 2gw6 n GLU 17 Ca 0.08 0.29 -0.32 0.00 0.66 0.00 0.00 57.16 57.87 2gw6 n GLU 17 Cb 0.23 -1.50 0.14 0.00 0.27 0.00 0.00 31.44 30.59 2gw6 n GLU 17 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2gw6 n LEU 18 N -1.41 0.35 0.00 4.31 4.77 -0.25 -4.85 117.00 119.92 2gw6 n LEU 18 Ca 0.03 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2gw6 n LEU 18 Cb 0.09 -1.25 0.01 0.00 -2.33 0.00 0.00 43.42 39.94 2gw6 n LEU 18 CO 0.07 -3.24 0.38 0.47 -1.33 0.00 0.00 177.39 173.75 2gw6 n ASP 19 N -2.18 0.00 -3.29 -1.43 9.92 -1.26 -4.24 116.55 114.07 2gw6 n ASP 19 Ca 0.07 -1.50 -0.08 0.00 -0.53 0.00 0.00 54.79 52.76 2gw6 n ASP 19 Cb 0.54 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.97 2gw6 n ASP 19 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2gw6 s ILE 20 N -2.00 -0.67 -1.15 0.53 1.01 -1.26 -4.73 121.20 112.93 2gw6 s ILE 20 Ca 0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 2gw6 s ILE 20 Cb 0.00 -0.99 0.12 0.00 0.01 0.00 0.00 42.46 41.61 2gw6 s ILE 20 CO 0.00 -0.26 1.45 -0.83 0.00 0.00 0.00 174.94 175.31 2gw6 s GLY 21 N 2.56 1.97 -0.20 6.18 0.00 -1.26 -4.93 107.32 111.64 2gw6 s GLY 21 Ca 0.10 -2.99 -0.02 0.00 0.00 0.00 0.00 44.72 41.81 2gw6 s GLY 21 CO -0.30 2.30 -0.11 -0.35 0.00 0.00 0.00 173.10 174.65 2gw6 s ASP 22 N 3.62 3.84 0.48 1.64 2.15 -1.26 -5.00 116.67 122.14 2gw6 s ASP 22 Ca 0.44 -0.49 0.15 0.00 0.43 0.00 0.00 52.55 53.08 2gw6 s ASP 22 Cb -0.01 -1.63 1.15 0.00 -0.30 0.00 0.00 42.92 42.13 2gw6 s ASP 22 CO -0.01 -0.00 2.09 0.00 -0.17 0.00 0.00 175.17 177.07 2gw6 h ALA 23 N 7.98 1.99 -0.00 3.66 0.00 -1.98 0.17 119.26 131.08 2gw6 h ALA 23 Ca -0.42 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2gw6 h ALA 23 Cb 1.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2gw6 h ALA 23 CO 0.61 -0.03 -0.38 1.15 0.00 0.00 0.00 179.25 180.60 2gw6 h THR 24 N 0.19 1.50 0.00 0.00 2.02 -1.99 -2.55 112.91 112.08 2gw6 h THR 24 Ca 0.10 -2.00 -0.00 0.00 0.77 0.00 0.00 66.41 65.28 2gw6 h THR 24 Cb 0.18 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2gw6 h THR 24 CO -0.02 0.56 -0.00 1.56 0.37 0.00 0.00 175.52 177.99 2gw6 h GLN 25 N -0.36 -0.01 -0.73 6.66 1.08 -1.83 -0.78 115.11 119.15 2gw6 h GLN 25 Ca -0.05 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2gw6 h GLN 25 Cb 1.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.51 2gw6 h GLN 25 CO 0.07 0.15 0.48 -0.39 -0.95 0.00 0.00 178.83 178.19 2gw6 h VAL 26 N -0.16 1.05 0.10 -0.54 -1.51 -0.78 0.18 116.25 114.58 2gw6 h VAL 26 Ca -0.00 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2gw6 h VAL 26 Cb 0.16 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 2gw6 h VAL 26 CO 0.00 0.15 -0.05 0.22 -1.23 0.00 0.00 177.57 176.66 2gw6 h TYR 27 N 0.80 -0.12 -0.43 5.19 3.20 -1.22 -1.79 116.97 122.59 2gw6 h TYR 27 Ca 0.31 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 2gw6 h TYR 27 Cb 0.20 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2gw6 h TYR 27 CO -0.00 0.31 -0.16 0.28 -1.64 0.00 0.00 178.16 176.95 2gw6 h VAL 28 N -0.60 1.28 -0.42 1.81 2.07 -0.87 -2.28 116.25 117.24 2gw6 h VAL 28 Ca -0.01 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2gw6 h VAL 28 Cb 0.48 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2gw6 h VAL 28 CO 0.02 0.44 0.01 0.00 0.02 0.00 0.00 177.57 178.06 2gw6 h ALA 29 N 0.84 1.24 -0.34 1.67 0.00 -0.75 -2.35 119.26 119.58 2gw6 h ALA 29 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gw6 h ALA 29 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2gw6 h ALA 29 CO 0.05 0.51 0.23 0.35 0.00 0.00 0.00 179.25 180.39 2gw6 h PHE 30 N 0.63 0.43 -0.27 0.00 3.57 -0.91 0.14 116.94 120.52 2gw6 h PHE 30 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2gw6 h PHE 30 Cb 0.38 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2gw6 h PHE 30 CO 0.02 0.27 0.16 -0.07 -2.23 0.00 0.00 178.31 176.46 2gw6 h LEU 31 N 0.46 0.26 -0.28 0.59 -0.00 -1.08 -1.04 115.31 114.22 2gw6 h LEU 31 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.81 2gw6 h LEU 31 Cb -0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2gw6 h LEU 31 CO -0.03 0.19 -0.65 -0.37 -0.00 0.00 0.00 178.44 177.58 2gw6 h VAL 32 N 0.33 1.29 -0.40 1.22 -1.51 -1.27 -2.23 116.25 113.68 2gw6 h VAL 32 Ca 0.10 -1.87 0.08 0.00 -1.23 0.00 0.00 66.70 63.79 2gw6 h VAL 32 Cb -0.01 1.82 -0.08 0.00 -2.13 0.00 0.00 31.29 30.89 2gw6 h VAL 32 CO -0.05 0.59 -0.11 0.22 -1.23 0.00 0.00 177.57 177.00 2gw6 h TYR 33 N 0.56 -0.25 -0.00 5.19 3.20 -0.57 0.31 116.97 125.41 2gw6 h TYR 33 Ca -0.02 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2gw6 h TYR 33 Cb 1.26 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 2gw6 h TYR 33 CO 0.07 -0.19 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.17 2gw6 h LEU 34 N -0.02 0.00 -0.00 2.82 4.07 -1.10 -1.58 115.31 119.50 2gw6 h LEU 34 Ca 0.19 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 2gw6 h LEU 34 Cb 0.31 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.06 2gw6 h LEU 34 CO -0.42 0.16 -0.25 -0.78 -1.08 0.00 0.00 178.44 176.07 2gw6 h ASP 35 N 0.00 0.22 -0.78 -0.43 1.82 -0.52 -0.33 116.42 116.40 2gw6 h ASP 35 Ca -0.00 -0.78 0.14 0.00 -0.39 0.00 0.00 57.03 56.00 2gw6 h ASP 35 Cb 0.29 -0.07 -0.09 0.00 0.68 0.00 0.00 39.33 40.14 2gw6 h ASP 35 CO 0.02 0.97 0.35 -0.07 -1.61 0.00 0.00 179.24 178.90 2gw6 h LEU 36 N -0.51 0.38 0.40 2.28 3.38 -0.30 0.56 115.31 121.50 2gw6 h LEU 36 Ca -0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2gw6 h LEU 36 Cb 1.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2gw6 h LEU 36 CO 0.05 0.16 -0.19 0.24 0.09 0.00 0.00 178.44 178.79 2gw6 h MET 37 N 0.52 -0.51 0.00 1.13 2.86 -1.30 0.16 114.93 117.78 2gw6 h MET 37 Ca 0.42 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2gw6 h MET 37 Cb 0.61 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2gw6 h MET 37 CO -0.38 -0.20 -1.50 0.39 1.06 0.00 0.00 176.91 176.28 2gw6 n GLU 38 N -5.18 0.52 -0.04 1.72 -0.58 -0.14 -3.16 120.64 113.79 2gw6 n GLU 38 Ca -0.10 -0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.49 2gw6 n GLU 38 Cb 0.28 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2gw6 n SER 39 N -2.23 1.20 0.11 1.62 7.64 0.17 -4.65 113.62 117.47 2gw6 n SER 39 Ca -0.01 0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.19 2gw6 n SER 39 Cb 0.52 -0.45 0.40 0.00 -1.01 0.00 0.00 64.21 63.67 2gw6 n SER 39 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2gw6 n LYS 40 N -3.76 0.27 -3.68 1.43 3.00 0.52 -4.96 118.16 110.99 2gw6 n LYS 40 Ca -0.15 0.22 -0.21 0.00 -0.00 0.00 0.00 58.31 58.16 2gw6 n LYS 40 Cb 0.44 -1.81 0.04 0.00 0.00 0.00 0.00 35.03 33.70 2gw6 n LYS 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2gw6 n SER 41 N -2.28 -1.66 -4.77 3.14 7.64 0.17 -4.95 113.62 110.92 2gw6 n SER 41 Ca 0.06 -0.78 -0.40 0.00 1.01 0.00 0.00 58.87 58.76 2gw6 n SER 41 Cb 0.43 -4.22 -0.03 0.00 -1.01 0.00 0.00 64.21 59.38 2gw6 n SER 41 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2gw6 s TRP 42 N -3.59 3.26 0.19 1.43 0.52 0.32 -4.95 118.94 116.12 2gw6 s TRP 42 Ca 0.06 1.57 -0.08 0.00 0.02 0.00 0.00 56.10 57.68 2gw6 s TRP 42 Cb -0.03 -3.42 0.11 0.00 -1.15 0.00 0.00 33.47 28.98 2gw6 s TRP 42 CO 0.80 -1.15 1.63 1.25 0.02 0.00 0.00 176.95 179.50 2gw6 h HIS 43 N 3.27 1.08 -2.15 -1.98 -0.00 -1.48 -3.46 115.15 110.43 2gw6 h HIS 43 Ca -0.48 -0.21 -0.03 0.00 -0.00 0.00 0.00 60.37 59.64 2gw6 h HIS 43 Cb 1.22 -0.27 -0.22 0.00 -0.00 0.00 0.00 27.41 28.14 2gw6 h HIS 43 CO 0.57 1.01 -0.00 -2.00 -0.00 0.00 0.00 177.93 177.50 2gw6 s GLU 44 N -4.84 0.70 -0.02 5.26 2.56 0.52 -4.96 118.70 117.92 2gw6 s GLU 44 Ca -0.11 1.02 -0.01 0.00 0.00 0.00 0.00 54.97 55.87 2gw6 s GLU 44 Cb 0.13 0.23 0.01 0.00 2.00 0.00 0.00 34.13 36.51 2gw6 s GLU 44 CO 0.85 -0.12 0.04 0.54 -0.56 0.00 0.00 175.26 176.01 2gw6 s VAL 45 N 0.98 -0.02 0.15 3.70 0.11 -1.26 -1.23 120.40 122.82 2gw6 s VAL 45 Ca -0.05 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 2gw6 s VAL 45 Cb -0.05 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2gw6 s VAL 45 CO -0.09 0.03 -0.17 0.20 -3.33 0.00 0.00 175.10 171.75 2gw6 s ASN 46 N 0.42 2.42 -0.11 3.54 0.01 -0.72 -4.89 114.94 115.61 2gw6 s ASN 46 Ca -0.03 -0.84 0.03 0.00 -0.71 0.00 0.00 52.86 51.31 2gw6 s ASN 46 Cb -0.05 -0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.49 2gw6 s ASN 46 CO -0.01 -0.07 -0.21 0.00 -1.51 0.00 0.00 177.10 175.29 2gw6 s VAL 48 N 0.62 1.26 -0.31 0.00 1.01 0.08 -4.97 120.40 118.10 2gw6 s VAL 48 Ca -0.13 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2gw6 s VAL 48 Cb -0.17 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 2gw6 s VAL 48 CO 0.03 0.37 0.13 -0.83 0.00 0.00 0.00 175.10 174.80 2gw6 s GLY 49 N 0.02 1.84 -0.49 4.51 0.00 -1.26 -1.09 107.32 110.84 2gw6 s GLY 49 Ca -0.02 -1.42 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 2gw6 s GLY 49 CO 0.01 0.68 0.32 1.08 0.00 0.00 0.00 173.10 175.20 2gw6 s LEU 50 N 1.57 5.43 0.61 0.66 1.43 -0.03 -4.59 118.68 123.76 2gw6 s LEU 50 Ca 0.04 -2.23 0.41 0.00 -1.03 0.00 0.00 54.13 51.32 2gw6 s LEU 50 Cb -0.17 -1.90 2.22 0.00 0.03 0.00 0.00 46.19 46.37 2gw6 s LEU 50 CO 0.05 -0.54 2.25 -0.65 0.23 0.00 0.00 176.35 177.69 2gw6 h PRO 51 N 7.90 0.00 -0.59 1.29 0.11 -1.85 0.20 132.00 139.05 2gw6 h PRO 51 Ca -0.11 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 2gw6 h PRO 51 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2gw6 h PRO 51 CO 0.75 0.00 0.16 0.93 -0.21 0.00 0.00 178.00 179.63 2gw6 h GLU 52 N 0.00 0.94 0.00 1.05 5.08 -1.93 -2.76 114.58 116.96 2gw6 h GLU 52 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2gw6 h GLU 52 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2gw6 h GLU 52 CO 0.00 0.86 -1.06 1.28 -1.00 0.00 0.00 179.01 179.09 2gw6 n LEU 53 N -4.38 0.65 -2.97 1.33 4.77 -1.00 -4.95 117.00 110.46 2gw6 n LEU 53 Ca 0.03 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.40 2gw6 n LEU 53 Cb 0.23 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2gw6 n LEU 53 CO 0.41 0.16 -0.04 0.00 -1.33 0.00 0.00 177.39 176.59 2gw6 n GLN 54 N -1.58 -4.34 -4.71 3.23 6.02 0.62 -4.97 117.38 111.65 2gw6 n GLN 54 Ca 0.02 0.88 -0.33 0.00 -0.01 0.00 0.00 57.00 57.55 2gw6 n GLN 54 Cb 0.32 -5.70 -0.12 0.00 1.02 0.00 0.00 30.24 25.76 2gw6 n GLN 54 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2gw6 s LEU 55 N -6.58 2.97 -0.12 1.08 2.96 -0.73 -4.94 118.68 113.33 2gw6 s LEU 55 Ca 0.27 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 2gw6 s LEU 55 Cb -0.12 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2gw6 s LEU 55 CO 0.34 0.31 0.09 -0.63 -1.32 0.00 0.00 176.35 175.13 2gw6 s ILE 56 N -0.49 5.07 -0.01 6.68 1.09 -1.26 -0.85 121.20 131.43 2gw6 s ILE 56 Ca 0.07 0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.66 2gw6 s ILE 56 Cb -0.12 -3.20 0.00 0.00 -1.06 0.00 0.00 42.46 38.09 2gw6 s ILE 56 CO 0.02 0.59 0.02 0.00 -0.10 0.00 0.00 174.94 175.47 2gw6 s LEU 58 N 0.09 3.48 -0.03 0.00 1.02 -0.87 -0.74 118.68 121.63 2gw6 s LEU 58 Ca -0.01 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2gw6 s LEU 58 Cb -0.01 -1.92 0.02 0.00 0.02 0.00 0.00 46.19 44.30 2gw6 s LEU 58 CO -0.00 0.00 -0.01 -0.69 0.02 0.00 0.00 176.35 175.67 2gw6 s VAL 59 N 1.39 0.22 0.00 -1.59 1.01 -0.76 -0.91 120.40 119.76 2gw6 s VAL 59 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2gw6 s VAL 59 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2gw6 s VAL 59 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2gw6 n GLY 60 N 4.03 4.01 3.18 4.51 0.00 -1.23 -1.76 105.19 117.94 2gw6 n GLY 60 Ca -0.26 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2gw6 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gw6 s THR 61 N -1.49 2.88 0.24 2.61 -4.23 -0.37 -4.41 115.64 110.88 2gw6 s THR 61 Ca 0.00 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2gw6 s THR 61 Cb 0.00 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.32 2gw6 s THR 61 CO 0.00 0.05 1.67 -0.08 -0.54 0.00 0.00 174.62 175.72 2gw6 h GLU 62 N 7.99 0.64 -4.08 3.99 4.22 -1.93 0.15 114.58 125.56 2gw6 h GLU 62 Ca -0.27 -0.25 -0.49 0.00 0.08 0.00 0.00 59.36 58.43 2gw6 h GLU 62 Cb 1.08 -0.03 -0.37 0.00 0.50 0.00 0.00 28.75 29.93 2gw6 h GLU 62 CO 0.55 0.83 -0.79 0.42 -2.18 0.00 0.00 179.01 177.83 2gw6 s ILE 63 N -4.55 0.82 0.59 2.32 1.09 -1.26 -2.54 121.20 117.65 2gw6 s ILE 63 Ca -0.08 -0.17 -0.19 0.00 -1.10 0.00 0.00 60.65 59.11 2gw6 s ILE 63 Cb 0.13 -0.87 -0.06 0.00 -1.06 0.00 0.00 42.46 40.61 2gw6 s ILE 63 CO 0.82 0.33 0.88 1.21 -0.10 0.00 0.00 174.94 178.07 2gw6 n GLU 64 N 4.87 0.84 0.00 2.79 4.07 -1.26 -2.19 120.64 129.76 2gw6 n GLU 64 Ca -0.12 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 2gw6 n GLU 64 Cb 0.50 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gw6 n GLY 65 N 1.38 2.71 0.00 8.31 0.00 -1.26 -4.97 105.19 111.36 2gw6 n GLY 65 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2gw6 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gw6 n GLU 66 N 0.00 2.11 0.00 1.61 -0.58 -0.93 -5.07 120.64 117.78 2gw6 n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2gw6 n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gw6 n GLY 67 N 5.00 0.00 2.45 0.62 0.00 -1.26 -4.87 105.19 107.13 2gw6 n GLY 67 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2gw6 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gw6 n LEU 68 N 0.00 0.24 -3.45 0.99 4.32 -1.26 -4.99 117.00 112.85 2gw6 n LEU 68 Ca 0.00 -4.56 0.01 0.00 -0.02 0.00 0.00 56.01 51.44 2gw6 n LEU 68 Cb 0.00 0.32 -0.04 0.00 -1.62 0.00 0.00 43.42 42.08 2gw6 n LEU 68 CO 0.00 1.87 0.46 0.00 -1.22 0.00 0.00 177.39 178.50 2gw6 s GLN 69 N -0.37 0.40 -0.04 3.23 0.00 -1.26 -5.01 119.66 116.60 2gw6 s GLN 69 Ca 0.32 0.97 0.06 0.00 -0.00 0.00 0.00 55.36 56.71 2gw6 s GLN 69 Cb 0.04 0.58 -0.02 0.00 0.00 0.00 0.00 33.01 33.62 2gw6 s GLN 69 CO -0.18 -0.17 -0.21 0.99 0.00 0.00 0.00 175.29 175.72 2gw6 s THR 70 N 2.66 2.49 -0.03 3.63 2.01 -1.26 -3.47 115.64 121.67 2gw6 s THR 70 Ca -0.02 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 2gw6 s THR 70 Cb -0.09 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.52 2gw6 s THR 70 CO -0.18 0.58 0.02 0.68 -0.69 0.00 0.00 174.62 175.03 2gw6 s VAL 71 N -0.55 0.06 -0.10 3.82 -7.23 -0.09 -0.40 120.40 115.91 2gw6 s VAL 71 Ca 0.08 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.44 2gw6 s VAL 71 Cb -0.11 -0.20 0.02 0.00 0.56 0.00 0.00 36.38 36.65 2gw6 s VAL 71 CO 0.01 0.13 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.11 2gw6 s VAL 72 N 1.23 1.29 0.17 1.32 1.01 -0.62 -2.06 120.40 122.75 2gw6 s VAL 72 Ca -0.07 -0.51 -0.32 0.00 0.00 0.00 0.00 61.98 61.08 2gw6 s VAL 72 Cb -0.13 -1.21 -0.11 0.00 0.00 0.00 0.00 36.38 34.94 2gw6 s VAL 72 CO -0.03 0.40 1.66 -2.16 0.00 0.00 0.00 175.10 174.98 2gw6 s PRO 73 N 1.10 4.17 -0.17 2.72 0.04 -1.26 -1.99 135.00 139.61 2gw6 s PRO 73 Ca -0.05 2.49 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 2gw6 s PRO 73 Cb -0.14 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.30 2gw6 s PRO 73 CO -0.02 -0.70 0.23 0.99 0.04 0.00 0.00 177.00 177.54 2gw6 s THR 74 N 1.37 -0.35 0.67 1.26 2.01 0.68 -4.90 115.64 116.39 2gw6 s THR 74 Ca 0.73 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.64 2gw6 s THR 74 Cb -0.46 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2gw6 s THR 74 CO 0.32 -0.08 1.09 -2.16 -0.69 0.00 0.00 174.62 173.10 2gw6 s PRO 75 N 2.35 2.83 0.58 4.92 0.04 -1.26 -0.51 135.00 143.95 2gw6 s PRO 75 Ca 0.05 1.28 0.29 0.00 0.04 0.00 0.00 61.00 62.66 2gw6 s PRO 75 Cb -0.14 -1.96 1.48 0.00 0.04 0.00 0.00 34.50 33.91 2gw6 s PRO 75 CO -0.10 -1.21 1.91 0.82 0.04 0.00 0.00 177.00 178.45 2gw6 h ILE 76 N -0.13 0.41 -0.02 0.56 1.08 -1.49 -0.34 117.51 117.58 2gw6 h ILE 76 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2gw6 h ILE 76 Cb 1.24 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2gw6 h ILE 76 CO 0.55 0.00 -0.21 1.07 -0.69 0.00 0.00 178.15 178.86 2gw6 n THR 77 N -3.83 0.00 -2.81 -0.27 5.66 -1.26 -4.90 114.28 106.88 2gw6 n THR 77 Ca 0.09 -0.26 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 2gw6 n THR 77 Cb 0.69 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 70.27 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gw6 s ALA 78 N -2.29 3.23 -0.22 1.79 0.00 -0.14 -5.04 121.76 119.09 2gw6 s ALA 78 Ca 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 2gw6 s ALA 78 Cb 0.19 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 2gw6 s ALA 78 CO 0.45 0.04 0.02 -1.54 0.00 0.00 0.00 175.76 174.73 2gw6 s SER 79 N -2.79 4.87 -0.25 0.00 1.04 -1.26 -4.95 113.70 110.36 2gw6 s SER 79 Ca 0.55 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 2gw6 s SER 79 Cb -0.10 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 2gw6 s SER 79 CO 0.26 0.03 0.30 -0.22 0.98 0.00 0.00 173.24 174.59 2gw6 s LEU 80 N 1.22 4.08 0.24 2.42 2.96 -1.26 -5.00 118.68 123.34 2gw6 s LEU 80 Ca 0.04 0.25 0.09 0.00 -0.22 0.00 0.00 54.13 54.29 2gw6 s LEU 80 Cb -0.15 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2gw6 s LEU 80 CO 0.02 -0.08 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.98 2gw6 s SER 81 N 1.39 4.43 0.45 3.68 1.04 -1.26 -4.96 113.70 118.48 2gw6 s SER 81 Ca 0.13 -0.63 0.31 0.00 0.48 0.00 0.00 55.95 56.24 2gw6 s SER 81 Cb -0.15 -0.80 1.44 0.00 0.10 0.00 0.00 66.02 66.62 2gw6 s SER 81 CO 0.08 0.04 1.93 1.12 0.98 0.00 0.00 173.24 177.39 2gw6 h HIS 82 N 2.25 0.00 0.02 5.02 2.07 -1.99 -0.44 115.15 122.07 2gw6 h HIS 82 Ca -0.45 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.85 2gw6 h HIS 82 Cb 1.23 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.23 2gw6 h HIS 82 CO 0.68 0.00 -0.87 -0.97 -3.07 0.00 0.00 177.93 173.70 2gw6 h ASN 83 N 0.00 0.73 -0.02 3.10 -1.24 -1.99 -2.98 115.58 113.18 2gw6 h ASN 83 Ca 0.00 -0.77 0.02 0.00 0.71 0.00 0.00 56.30 56.26 2gw6 h ASN 83 Cb 0.27 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 2gw6 h ASN 83 CO 0.00 1.41 -0.09 -0.09 -1.29 0.00 0.00 177.43 177.37 2gw6 h ARG 84 N 0.14 -0.14 -0.74 6.67 2.43 -1.61 -2.41 114.38 118.72 2gw6 h ARG 84 Ca -0.11 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2gw6 h ARG 84 Cb 1.56 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.10 2gw6 h ARG 84 CO 0.17 -0.09 0.49 -0.84 -1.51 0.00 0.00 179.97 178.19 2gw6 h ILE 85 N -0.14 1.10 -0.71 1.20 3.07 -1.22 0.34 117.51 121.14 2gw6 h ILE 85 Ca 0.04 -0.30 0.08 0.00 1.55 0.00 0.00 64.86 66.23 2gw6 h ILE 85 Cb 0.20 0.14 -0.06 0.00 -0.27 0.00 0.00 36.82 36.82 2gw6 h ILE 85 CO -0.11 0.16 0.38 -0.09 -1.05 0.00 0.00 178.15 177.44 2gw6 h ARG 86 N 0.88 0.64 0.00 0.16 9.65 -1.32 0.42 114.38 124.82 2gw6 h ARG 86 Ca 0.30 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.96 2gw6 h ARG 86 Cb 0.09 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2gw6 h ARG 86 CO -0.09 0.43 -0.87 0.93 2.80 0.00 0.00 179.97 183.16 2gw6 h GLU 87 N 0.66 0.00 -0.07 0.20 5.08 -0.27 -2.08 114.58 118.10 2gw6 h GLU 87 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2gw6 h GLU 87 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2gw6 h GLU 87 CO -0.23 0.86 0.04 0.82 -1.00 0.00 0.00 179.01 179.50 2gw6 h ILE 88 N 0.00 1.04 -0.87 3.13 2.04 0.06 -0.50 117.51 122.42 2gw6 h ILE 88 Ca -0.01 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.83 2gw6 h ILE 88 Cb 1.67 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 2gw6 h ILE 88 CO 0.11 0.04 0.56 -0.07 0.00 0.00 0.00 178.15 178.79 2gw6 h LEU 89 N 0.06 0.78 -0.58 1.44 3.38 -0.91 -1.83 115.31 117.66 2gw6 h LEU 89 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2gw6 h LEU 89 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2gw6 h LEU 89 CO -0.00 0.46 -0.19 0.50 0.09 0.00 0.00 178.44 179.29 2gw6 h LYS 90 N 0.86 0.93 -0.13 1.13 3.64 -0.95 0.43 116.57 122.48 2gw6 h LYS 90 Ca 0.40 -0.38 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2gw6 h LYS 90 Cb 0.40 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2gw6 h LYS 90 CO -0.17 1.04 -0.03 0.00 -2.27 0.00 0.00 179.45 178.02 2gw6 h ALA 91 N 0.96 0.09 -0.23 5.00 0.00 -0.31 -0.05 119.26 124.72 2gw6 h ALA 91 Ca 0.11 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2gw6 h ALA 91 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2gw6 h ALA 91 CO 0.06 -0.48 -0.45 0.77 0.00 0.00 0.00 179.25 179.15 2gw6 h SER 92 N 0.00 0.62 0.00 0.00 0.02 -1.15 -2.52 113.55 110.53 2gw6 h SER 92 Ca 0.06 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2gw6 h SER 92 Cb 0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2gw6 h SER 92 CO -0.13 0.98 -0.13 0.08 -1.14 0.00 0.00 176.83 176.49 2gw6 h ARG 93 N 0.47 0.27 -0.20 3.45 -0.00 0.30 0.48 114.38 119.14 2gw6 h ARG 93 Ca 0.03 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.98 59.85 2gw6 h ARG 93 Cb 0.97 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.89 2gw6 h ARG 93 CO 0.09 0.41 -0.30 -0.22 -0.00 0.00 0.00 179.97 179.95 2gw6 h LYS 94 N 0.26 0.40 0.14 0.08 3.64 -0.75 0.99 116.57 121.31 2gw6 h LYS 94 Ca 0.05 -0.16 -0.29 0.00 -1.27 0.00 0.00 60.65 58.98 2gw6 h LYS 94 Cb 0.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2gw6 h LYS 94 CO 0.02 0.66 -1.35 -0.07 -2.27 0.00 0.00 179.45 176.44 2gw6 h LEU 95 N 0.35 0.45 -0.21 5.20 3.38 -0.73 -3.33 115.31 120.42 2gw6 h LEU 95 Ca 0.05 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 2gw6 h LEU 95 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2gw6 h LEU 95 CO 0.05 1.42 -0.48 1.56 0.09 0.00 0.00 178.44 181.08 2gw6 h GLN 96 N 0.08 0.00 -1.28 1.13 1.08 -0.02 -3.48 115.11 112.63 2gw6 h GLN 96 Ca -0.18 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.97 2gw6 h GLN 96 Cb 2.01 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.45 2gw6 h GLN 96 CO 0.20 0.48 -0.08 0.41 -0.95 0.00 0.00 178.83 178.89 2gw6 n GLY 97 N 1.02 0.64 3.86 3.46 0.00 0.27 -5.06 105.19 109.37 2gw6 n GLY 97 Ca 0.01 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 2gw6 n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gw6 s ASP 98 N -3.00 6.74 0.02 1.61 2.15 -0.76 -5.02 116.67 118.41 2gw6 s ASP 98 Ca 0.05 1.02 -0.05 0.00 0.43 0.00 0.00 52.55 54.01 2gw6 s ASP 98 Cb -0.02 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.32 2gw6 s ASP 98 CO 0.07 0.01 0.81 -2.65 -0.17 0.00 0.00 175.17 173.24 2gw6 n PRO 99 N 0.33 -0.07 0.00 4.34 -0.02 -1.26 -4.64 135.00 133.69 2gw6 n PRO 99 Ca -0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2gw6 n PRO 99 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2gw6 n PRO 99 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gw6 n ASP 100 N -3.18 0.00 -4.91 2.55 2.03 -1.26 -5.03 116.55 106.74 2gw6 n ASP 100 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.05 2gw6 n ASP 100 Cb 0.04 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2gw6 s LEU 101 N 0.00 3.84 0.31 -2.67 1.02 -1.26 -4.97 118.68 114.95 2gw6 s LEU 101 Ca 0.00 0.76 -0.28 0.00 0.02 0.00 0.00 54.13 54.63 2gw6 s LEU 101 Cb 0.00 -3.65 -0.09 0.00 0.02 0.00 0.00 46.19 42.47 2gw6 s LEU 101 CO 0.00 -0.41 1.10 -2.16 0.02 0.00 0.00 176.35 174.90 2gw6 s PRO 102 N -4.32 4.50 0.00 1.29 0.04 -1.26 -4.80 135.00 130.44 2gw6 s PRO 102 Ca 0.45 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2gw6 s PRO 102 Cb -0.10 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2gw6 s PRO 102 CO 0.38 0.10 0.00 -0.12 0.04 0.00 0.00 177.00 177.40 2gw6 n MET 103 N 0.85 1.35 -4.14 4.56 1.56 -1.26 -4.96 117.12 115.07 2gw6 n MET 103 Ca 0.01 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 2gw6 n MET 103 Cb 0.46 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.72 2gw6 n MET 103 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2gw6 s SER 104 N 1.00 1.23 0.05 6.12 1.04 -1.26 -3.09 113.70 118.80 2gw6 s SER 104 Ca 0.00 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 2gw6 s SER 104 Cb 0.00 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.20 2gw6 s SER 104 CO 0.00 -0.28 0.50 0.72 0.98 0.00 0.00 173.24 175.16 2gw6 s PHE 105 N -2.37 -0.40 -0.22 5.02 -0.71 -0.63 -4.33 117.98 114.33 2gw6 s PHE 105 Ca 0.02 0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 56.20 2gw6 s PHE 105 Cb -0.03 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 2gw6 s PHE 105 CO -0.01 -0.64 0.24 0.99 -1.34 0.00 0.00 175.22 174.46 2gw6 s THR 106 N -2.55 5.31 -0.01 -4.49 2.01 0.46 -1.16 115.64 115.20 2gw6 s THR 106 Ca -0.05 0.37 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 2gw6 s THR 106 Cb -0.01 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2gw6 s THR 106 CO -0.03 0.32 0.86 -0.76 -0.69 0.00 0.00 174.62 174.33 2gw6 s LEU 107 N 1.11 4.36 -0.45 4.42 1.43 0.13 -1.59 118.68 128.09 2gw6 s LEU 107 Ca 0.12 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2gw6 s LEU 107 Cb -0.14 -3.38 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2gw6 s LEU 107 CO 0.05 -0.18 0.31 0.00 0.23 0.00 0.00 176.35 176.77 2gw6 s ALA 108 N 0.80 3.34 -0.23 4.21 0.00 -0.84 -0.28 121.76 128.76 2gw6 s ALA 108 Ca 0.46 -2.45 -0.24 0.00 0.00 0.00 0.00 51.96 49.73 2gw6 s ALA 108 Cb -0.20 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2gw6 s ALA 108 CO 0.24 -1.83 0.79 0.42 0.00 0.00 0.00 175.76 175.38 2gw6 s ILE 109 N 1.35 4.87 -0.09 0.00 -1.09 0.12 -0.23 121.20 126.14 2gw6 s ILE 109 Ca 0.05 1.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.97 2gw6 s ILE 109 Cb -0.25 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 2gw6 s ILE 109 CO -0.01 -0.03 -0.10 0.68 -1.23 0.00 0.00 174.94 174.25 2gw6 s VAL 110 N 2.64 3.39 0.05 2.92 -7.23 0.33 0.42 120.40 122.92 2gw6 s VAL 110 Ca 0.34 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.73 2gw6 s VAL 110 Cb -0.15 -2.39 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 2gw6 s VAL 110 CO 0.08 0.56 0.59 -0.70 -0.31 0.00 0.00 175.10 175.32 2gw6 s GLU 111 N -0.32 4.26 0.56 4.82 2.12 0.29 -1.14 118.70 129.29 2gw6 s GLU 111 Ca 0.04 0.75 0.27 0.00 0.36 0.00 0.00 54.97 56.39 2gw6 s GLU 111 Cb -0.13 -3.28 1.62 0.00 0.26 0.00 0.00 34.13 32.61 2gw6 s GLU 111 CO 0.02 0.53 2.18 1.03 -0.54 0.00 0.00 175.26 178.49 2gw6 h SER 112 N 4.97 0.00 -0.16 -1.70 0.87 -1.98 -2.27 113.55 113.27 2gw6 h SER 112 Ca -0.48 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2gw6 h SER 112 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 2gw6 h SER 112 CO 0.66 0.04 -0.28 -0.78 -0.53 0.00 0.00 176.83 175.95 2gw6 h ASP 113 N 0.00 -0.87 0.00 6.23 3.58 -2.04 -3.45 116.42 119.87 2gw6 h ASP 113 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2gw6 h ASP 113 Cb 0.11 0.38 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2gw6 h ASP 113 CO 0.01 -0.32 0.00 -0.24 -2.88 0.00 0.00 179.24 175.81 2gw6 n SER 114 N -5.39 0.00 -4.71 2.28 2.88 -0.86 -5.16 113.62 102.66 2gw6 n SER 114 Ca -0.02 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.14 2gw6 n SER 114 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 2gw6 n SER 114 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2gw6 s THR 115 N 0.00 5.21 -0.19 2.46 2.01 -1.15 -4.95 115.64 119.03 2gw6 s THR 115 Ca 0.00 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 2gw6 s THR 115 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2gw6 s THR 115 CO 0.00 0.32 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.60 2gw6 s ILE 116 N 0.73 3.88 -0.26 1.82 1.09 -1.26 -0.55 121.20 126.66 2gw6 s ILE 116 Ca 0.23 -0.34 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 2gw6 s ILE 116 Cb -0.15 -2.74 0.05 0.00 -1.06 0.00 0.00 42.46 38.56 2gw6 s ILE 116 CO 0.09 0.45 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.59 2gw6 s VAL 117 N 0.81 2.44 -0.25 2.92 1.01 0.17 -4.93 120.40 122.56 2gw6 s VAL 117 Ca -0.00 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 2gw6 s VAL 117 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2gw6 s VAL 117 CO 0.02 0.07 0.95 -0.31 0.00 0.00 0.00 175.10 175.83 2gw6 s TYR 118 N 1.19 3.29 -0.11 5.22 1.51 -1.26 0.16 117.35 127.35 2gw6 s TYR 118 Ca -0.05 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 2gw6 s TYR 118 Cb -0.18 -3.25 0.02 0.00 -0.11 0.00 0.00 41.96 38.44 2gw6 s TYR 118 CO -0.05 -0.50 -0.10 -0.47 -1.11 0.00 0.00 175.55 173.31 2gw6 s TYR 119 N 3.12 1.65 -0.01 2.71 5.04 0.62 -4.99 117.35 125.49 2gw6 s TYR 119 Ca 0.40 -0.82 -0.23 0.00 -2.44 0.00 0.00 57.07 53.98 2gw6 s TYR 119 Cb -0.15 -1.29 -0.05 0.00 0.35 0.00 0.00 41.96 40.83 2gw6 s TYR 119 CO 0.08 -0.50 0.71 0.21 -1.34 0.00 0.00 175.55 174.71 2gw6 s LYS 120 N 1.43 4.44 -0.12 4.97 2.20 -1.26 0.20 119.74 131.60 2gw6 s LYS 120 Ca 0.01 0.92 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 2gw6 s LYS 120 Cb -0.13 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2gw6 s LYS 120 CO -0.06 0.20 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.78 2gw6 s LEU 121 N 0.31 2.48 0.10 5.43 0.20 -0.31 -4.92 118.68 121.97 2gw6 s LEU 121 Ca 0.37 -0.41 0.08 0.00 0.69 0.00 0.00 54.13 54.85 2gw6 s LEU 121 Cb -0.19 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2gw6 s LEU 121 CO 0.20 0.17 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.33 2gw6 s THR 122 N 0.31 1.67 -2.00 3.68 2.01 -1.26 -1.61 115.64 118.44 2gw6 s THR 122 Ca -0.13 -1.50 0.23 0.00 0.31 0.00 0.00 61.69 60.60 2gw6 s THR 122 Cb -0.17 -1.52 0.67 0.00 0.01 0.00 0.00 72.50 71.49 2gw6 s THR 122 CO 0.07 -0.05 1.76 -0.67 -0.69 0.00 0.00 174.62 175.04