#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 h GLU 2 N 0.00 0.22 -0.34 -1.46 5.08 -2.02 -3.07 114.58 113.00 2gw6 h GLU 2 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2gw6 h GLU 2 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2gw6 h GLU 2 CO 0.00 0.84 0.00 -0.40 -1.00 0.00 0.00 179.01 178.45 2gw6 n ASP 3 N -3.79 0.34 -0.41 1.42 5.75 -1.26 -4.03 116.55 114.56 2gw6 n ASP 3 Ca -0.03 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 2gw6 n ASP 3 Cb 0.69 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gw6 n ALA 4 N -0.20 2.24 0.01 2.12 0.00 -1.16 -3.27 120.51 120.24 2gw6 n ALA 4 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2gw6 n ALA 4 Cb 0.08 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 0.15 -0.11 0.00 0.00 4.06 -1.89 -3.41 115.95 114.76 2gw6 h TRP 5 Ca 0.00 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2gw6 h TRP 5 Cb 0.34 0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.53 2gw6 h TRP 5 CO 0.00 0.43 -0.66 -1.33 -3.56 0.00 0.00 178.44 173.32 2gw6 n MET 6 N -4.82 0.47 0.00 0.49 2.81 -1.21 -5.00 117.12 109.86 2gw6 n MET 6 Ca -0.08 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 2gw6 n MET 6 Cb 0.29 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 2gw6 n MET 6 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gw6 n GLY 7 N 1.57 0.86 2.07 3.03 0.00 -1.20 -5.10 105.19 106.42 2gw6 n GLY 7 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2gw6 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gw6 n THR 8 N 0.00 0.00 -4.48 2.61 -2.24 -1.25 -4.34 114.28 104.58 2gw6 n THR 8 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2gw6 n THR 8 Cb 0.00 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 2gw6 n THR 8 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2gw6 s HIS 9 N -1.52 2.91 0.26 4.78 3.76 -1.26 0.10 115.29 124.32 2gw6 s HIS 9 Ca 0.00 -0.02 -0.06 0.00 -0.15 0.00 0.00 55.06 54.83 2gw6 s HIS 9 Cb 0.00 -1.63 0.49 0.00 1.11 0.00 0.00 32.58 32.56 2gw6 s HIS 9 CO 0.00 0.37 1.61 -1.35 -0.85 0.00 0.00 174.74 174.52 2gw6 h PRO 10 N 4.63 0.06 -0.02 8.40 0.11 -1.97 0.22 132.00 143.43 2gw6 h PRO 10 Ca -0.48 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2gw6 h PRO 10 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gw6 h PRO 10 CO 0.54 0.04 -0.76 0.87 -0.21 0.00 0.00 178.00 178.48 2gw6 h LYS 11 N 0.06 0.17 0.15 1.05 6.56 -1.97 0.49 116.57 123.07 2gw6 h LYS 11 Ca 0.45 -0.16 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 2gw6 h LYS 11 Cb 0.82 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 2gw6 h LYS 11 CO -0.77 0.85 -0.07 -0.92 -2.06 0.00 0.00 179.45 176.48 2gw6 h TYR 12 N 0.11 -0.18 -0.27 -1.35 3.20 -1.46 -1.93 116.97 115.09 2gw6 h TYR 12 Ca -0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2gw6 h TYR 12 Cb 1.33 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.61 2gw6 h TYR 12 CO 0.02 0.24 -0.10 1.25 -1.64 0.00 0.00 178.16 177.93 2gw6 h LEU 13 N -0.68 -0.35 -1.28 2.82 5.85 -0.67 -1.27 115.31 119.73 2gw6 h LEU 13 Ca -0.02 0.09 0.19 0.00 0.84 0.00 0.00 57.88 58.99 2gw6 h LEU 13 Cb 0.50 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 2gw6 h LEU 13 CO 0.03 -0.13 0.61 -0.08 -0.34 0.00 0.00 178.44 178.53 2gw6 h GLU 14 N -0.05 0.57 -0.07 1.25 4.81 -0.91 0.13 114.58 120.31 2gw6 h GLU 14 Ca 0.14 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2gw6 h GLU 14 Cb 0.26 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2gw6 h GLU 14 CO -0.31 0.38 -0.64 1.98 -0.73 0.00 0.00 179.01 179.69 2gw6 h MET 15 N 0.59 0.29 0.00 1.92 4.05 -0.43 -2.78 114.93 118.56 2gw6 h MET 15 Ca 0.52 -0.21 -0.09 0.00 -0.28 0.00 0.00 59.70 59.64 2gw6 h MET 15 Cb 1.03 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 2gw6 h MET 15 CO -0.26 0.83 -0.40 0.00 0.23 0.00 0.00 176.91 177.30 2gw6 h MET 16 N 0.21 0.00 -0.09 0.39 -0.00 -0.18 -3.11 114.93 112.15 2gw6 h MET 16 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.57 2gw6 h MET 16 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.76 2gw6 h MET 16 CO 0.10 0.40 -0.45 0.93 -0.00 0.00 0.00 176.91 177.90 2gw6 h GLU 17 N 0.00 0.22 -6.32 -0.10 5.08 -0.90 -3.31 114.58 109.24 2gw6 h GLU 17 Ca -0.00 -0.11 -0.55 0.00 -1.00 0.00 0.00 59.36 57.70 2gw6 h GLU 17 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2gw6 h GLU 17 CO 0.05 0.63 0.84 -0.48 -1.00 0.00 0.00 179.01 179.06 2gw6 s LEU 18 N -8.17 4.29 0.00 1.33 0.05 -1.06 -4.64 118.68 110.48 2gw6 s LEU 18 Ca -0.04 2.01 0.00 0.00 0.05 0.00 0.00 54.13 56.15 2gw6 s LEU 18 Cb 0.13 -3.55 0.00 0.00 -2.05 0.00 0.00 46.19 40.72 2gw6 s LEU 18 CO 0.77 -0.72 0.00 0.47 -0.55 0.00 0.00 176.35 176.33 2gw6 n ASP 19 N 5.67 0.00 0.06 1.48 8.00 -1.26 -2.15 116.55 128.35 2gw6 n ASP 19 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2gw6 n ASP 19 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2gw6 n ASP 19 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2gw6 n ILE 20 N 0.00 0.00 -2.21 0.53 5.41 -1.26 -4.84 119.36 116.99 2gw6 n ILE 20 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2gw6 n ILE 20 Cb 0.00 -0.03 0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2gw6 n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gw6 n GLY 21 N -0.93 -0.42 3.67 7.39 0.00 -0.91 -4.95 105.19 109.04 2gw6 n GLY 21 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2gw6 n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gw6 s ASP 22 N -2.73 6.65 0.34 1.61 2.15 -1.26 -4.92 116.67 118.52 2gw6 s ASP 22 Ca 0.08 0.79 0.10 0.00 0.43 0.00 0.00 52.55 53.94 2gw6 s ASP 22 Cb -0.01 -2.32 0.85 0.00 -0.30 0.00 0.00 42.92 41.14 2gw6 s ASP 22 CO 0.32 -0.18 1.79 0.00 -0.17 0.00 0.00 175.17 176.94 2gw6 h ALA 23 N 7.30 1.85 0.01 3.66 0.00 -1.98 0.66 119.26 130.77 2gw6 h ALA 23 Ca -0.35 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2gw6 h ALA 23 Cb 1.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2gw6 h ALA 23 CO 0.75 -0.21 -0.48 1.15 0.00 0.00 0.00 179.25 180.47 2gw6 h THR 24 N 0.65 1.48 0.01 0.00 2.02 -1.99 -2.05 112.91 113.03 2gw6 h THR 24 Ca 0.56 -2.08 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 2gw6 h THR 24 Cb 1.02 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2gw6 h THR 24 CO -0.32 0.59 -0.01 1.56 0.37 0.00 0.00 175.52 177.71 2gw6 h GLN 25 N -0.29 -0.02 -0.46 6.66 1.08 -1.67 -1.67 115.11 118.76 2gw6 h GLN 25 Ca -0.06 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2gw6 h GLN 25 Cb 1.23 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.61 2gw6 h GLN 25 CO 0.09 0.03 0.18 0.28 -0.95 0.00 0.00 178.83 178.46 2gw6 h VAL 26 N -0.06 0.88 0.21 -0.54 2.07 0.22 0.37 116.25 119.40 2gw6 h VAL 26 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2gw6 h VAL 26 Cb 0.06 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2gw6 h VAL 26 CO 0.00 0.07 -0.10 0.22 0.02 0.00 0.00 177.57 177.78 2gw6 h TYR 27 N 0.36 -0.26 -0.18 1.57 3.20 -1.25 0.15 116.97 120.56 2gw6 h TYR 27 Ca 0.21 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2gw6 h TYR 27 Cb 0.19 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2gw6 h TYR 27 CO -0.14 -0.16 -0.27 0.28 -1.64 0.00 0.00 178.16 176.23 2gw6 h VAL 28 N -0.29 1.34 -0.57 1.81 2.07 -1.03 -2.64 116.25 116.94 2gw6 h VAL 28 Ca -0.03 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 2gw6 h VAL 28 Cb 0.22 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2gw6 h VAL 28 CO 0.05 0.45 0.15 0.00 0.02 0.00 0.00 177.57 178.23 2gw6 h ALA 29 N 0.60 1.18 -0.64 1.67 0.00 -0.27 -2.04 119.26 119.76 2gw6 h ALA 29 Ca 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2gw6 h ALA 29 Cb 0.84 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2gw6 h ALA 29 CO 0.06 0.56 0.37 0.35 0.00 0.00 0.00 179.25 180.59 2gw6 h PHE 30 N 0.85 0.68 -0.43 0.00 3.57 -0.84 0.31 116.94 121.08 2gw6 h PHE 30 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2gw6 h PHE 30 Cb 0.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2gw6 h PHE 30 CO 0.02 0.35 0.13 -0.07 -2.23 0.00 0.00 178.31 176.50 2gw6 h LEU 31 N 0.69 0.64 -0.21 0.59 -0.00 -1.06 -1.32 115.31 114.65 2gw6 h LEU 31 Ca 0.28 -0.21 -0.22 0.00 -0.00 0.00 0.00 57.88 57.72 2gw6 h LEU 31 Cb 0.13 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2gw6 h LEU 31 CO -0.15 0.68 -0.83 -0.37 -0.00 0.00 0.00 178.44 177.77 2gw6 h VAL 32 N 0.56 1.33 -0.29 1.22 -1.51 -1.01 -1.86 116.25 114.68 2gw6 h VAL 32 Ca 0.14 -2.14 0.07 0.00 -1.23 0.00 0.00 66.70 63.54 2gw6 h VAL 32 Cb 0.28 2.15 -0.07 0.00 -2.13 0.00 0.00 31.29 31.52 2gw6 h VAL 32 CO -0.00 0.66 -0.20 0.22 -1.23 0.00 0.00 177.57 177.01 2gw6 h TYR 33 N 0.39 -0.53 0.00 5.19 3.20 -0.32 0.36 116.97 125.26 2gw6 h TYR 33 Ca -0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2gw6 h TYR 33 Cb 1.45 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 2gw6 h TYR 33 CO 0.07 -0.28 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.14 2gw6 h LEU 34 N -0.18 0.00 0.02 2.82 4.07 -1.19 -1.95 115.31 118.90 2gw6 h LEU 34 Ca 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 2gw6 h LEU 34 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2gw6 h LEU 34 CO -0.40 0.10 -0.01 -0.78 -1.08 0.00 0.00 178.44 176.27 2gw6 h ASP 35 N 0.00 -0.02 -0.92 -0.43 1.82 -0.26 -1.11 116.42 115.50 2gw6 h ASP 35 Ca -0.00 -0.70 0.15 0.00 -0.39 0.00 0.00 57.03 56.09 2gw6 h ASP 35 Cb 0.22 0.01 -0.09 0.00 0.68 0.00 0.00 39.33 40.14 2gw6 h ASP 35 CO 0.01 0.71 0.52 -0.07 -1.61 0.00 0.00 179.24 178.80 2gw6 h LEU 36 N -0.79 0.68 0.00 2.28 3.38 -0.18 0.45 115.31 121.12 2gw6 h LEU 36 Ca -0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gw6 h LEU 36 Cb 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2gw6 h LEU 36 CO 0.00 0.30 -0.00 -0.03 0.09 0.00 0.00 178.44 178.80 2gw6 h MET 37 N 0.74 0.00 0.00 1.13 4.05 -1.41 -0.12 114.93 119.32 2gw6 h MET 37 Ca 0.49 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 2gw6 h MET 37 Cb 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2gw6 h MET 37 CO -0.34 0.90 -1.07 0.39 0.23 0.00 0.00 176.91 177.02 2gw6 n GLU 38 N -4.66 0.59 -0.01 0.39 -0.58 -0.42 -3.18 120.64 112.78 2gw6 n GLU 38 Ca -0.10 0.09 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 2gw6 n GLU 38 Cb 0.44 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.50 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 -2.61 1.29 0.14 1.62 7.64 0.14 -4.65 113.62 117.18 2gw6 n SER 39 Ca -0.00 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.19 2gw6 n SER 39 Cb 0.55 -0.45 0.50 0.00 -1.01 0.00 0.00 64.21 63.80 2gw6 n SER 39 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gw6 h LYS 40 N -0.35 0.00 -6.05 1.43 1.79 -0.99 -3.47 116.57 108.94 2gw6 h LYS 40 Ca -0.04 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.01 2gw6 h LYS 40 Cb 0.49 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.20 2gw6 h LYS 40 CO -0.02 0.00 -0.76 0.43 -1.08 0.00 0.00 179.45 178.01 2gw6 n SER 41 N -2.32 -3.68 -4.81 0.86 7.64 -0.15 -4.96 113.62 106.20 2gw6 n SER 41 Ca 0.02 -0.72 -0.34 0.00 1.01 0.00 0.00 58.87 58.85 2gw6 n SER 41 Cb 0.26 -4.36 -0.06 0.00 -1.01 0.00 0.00 64.21 59.03 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 -3.42 3.32 0.08 1.43 0.23 -0.66 -4.97 118.94 114.94 2gw6 s TRP 42 Ca 0.36 1.63 -0.14 0.00 -2.03 0.00 0.00 56.10 55.92 2gw6 s TRP 42 Cb -0.17 -2.89 -0.21 0.00 0.03 0.00 0.00 33.47 30.22 2gw6 s TRP 42 CO 0.79 -0.18 1.22 1.25 0.96 0.00 0.00 176.95 180.99 2gw6 h HIS 43 N 2.03 1.05 -3.25 -1.98 -0.00 -1.63 -3.45 115.15 107.93 2gw6 h HIS 43 Ca -0.49 -0.54 -0.47 0.00 -0.00 0.00 0.00 60.37 58.88 2gw6 h HIS 43 Cb 1.19 -0.13 -0.38 0.00 -0.00 0.00 0.00 27.41 28.08 2gw6 h HIS 43 CO 0.61 1.37 -0.77 -1.21 -0.00 0.00 0.00 177.93 177.93 2gw6 s GLU 44 N -3.45 0.79 -0.12 5.26 0.41 -0.17 -4.96 118.70 116.47 2gw6 s GLU 44 Ca -0.10 -0.04 -0.07 0.00 -0.41 0.00 0.00 54.97 54.34 2gw6 s GLU 44 Cb 0.07 -1.26 0.04 0.00 -1.78 0.00 0.00 34.13 31.20 2gw6 s GLU 44 CO 0.91 -0.35 0.29 0.54 -0.49 0.00 0.00 175.26 176.17 2gw6 s VAL 45 N 1.90 -0.03 0.17 2.63 0.11 -1.26 -0.83 120.40 123.10 2gw6 s VAL 45 Ca 0.04 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 2gw6 s VAL 45 Cb -0.13 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 2gw6 s VAL 45 CO -0.06 0.04 -0.09 0.20 -3.33 0.00 0.00 175.10 171.86 2gw6 s ASN 46 N 1.02 1.89 -0.25 3.54 0.01 -0.52 -4.91 114.94 115.72 2gw6 s ASN 46 Ca -0.07 -1.05 -0.07 0.00 -0.71 0.00 0.00 52.86 50.96 2gw6 s ASN 46 Cb -0.08 -0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.54 2gw6 s ASN 46 CO -0.07 -0.35 0.05 0.00 -1.51 0.00 0.00 177.10 175.22 2gw6 s VAL 48 N 1.57 0.85 -0.20 0.00 1.01 0.69 -4.98 120.40 119.34 2gw6 s VAL 48 Ca 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2gw6 s VAL 48 Cb -0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2gw6 s VAL 48 CO 0.02 0.26 0.07 -0.83 0.00 0.00 0.00 175.10 174.62 2gw6 s GLY 49 N 0.08 1.90 -0.37 4.51 0.00 -1.26 0.15 107.32 112.34 2gw6 s GLY 49 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2gw6 s GLY 49 CO 0.00 0.14 0.12 1.08 0.00 0.00 0.00 173.10 174.44 2gw6 s LEU 50 N 0.57 4.97 0.65 0.66 2.01 0.97 -4.83 118.68 123.69 2gw6 s LEU 50 Ca 0.04 -2.10 0.40 0.00 0.01 0.00 0.00 54.13 52.48 2gw6 s LEU 50 Cb -0.13 -1.72 2.22 0.00 0.01 0.00 0.00 46.19 46.58 2gw6 s LEU 50 CO 0.01 -0.45 2.30 -0.65 1.01 0.00 0.00 176.35 178.57 2gw6 h PRO 51 N 7.80 0.00 -0.86 1.29 0.11 -1.88 0.32 132.00 138.78 2gw6 h PRO 51 Ca -0.08 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.12 2gw6 h PRO 51 Cb 1.03 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 2gw6 h PRO 51 CO 0.60 0.00 0.51 1.49 -0.21 0.00 0.00 178.00 180.39 2gw6 h GLU 52 N 0.00 0.85 -0.09 1.05 4.57 -1.93 -2.64 114.58 116.39 2gw6 h GLU 52 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2gw6 h GLU 52 Cb 0.10 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2gw6 h GLU 52 CO -0.00 0.56 0.00 1.28 -1.18 0.00 0.00 179.01 179.67 2gw6 n LEU 53 N -4.69 1.95 -1.41 1.64 7.99 -0.91 -4.98 117.00 116.59 2gw6 n LEU 53 Ca 0.14 -1.48 -0.15 0.00 -0.01 0.00 0.00 56.01 54.51 2gw6 n LEU 53 Cb 0.25 -0.06 -0.04 0.00 -0.11 0.00 0.00 43.42 43.47 2gw6 n LEU 53 CO 0.28 0.46 -0.17 1.67 -1.51 0.00 0.00 177.39 178.12 2gw6 n GLN 54 N 0.18 -1.11 -4.58 3.23 -0.06 0.02 -4.97 117.38 110.09 2gw6 n GLN 54 Ca 0.05 0.87 -0.27 0.00 -2.00 0.00 0.00 57.00 55.65 2gw6 n GLN 54 Cb 0.24 -5.10 -0.11 0.00 -4.06 0.00 0.00 30.24 21.21 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 2gw6 s LEU 55 N -3.81 2.62 0.01 1.69 0.05 -0.69 -4.95 118.68 113.60 2gw6 s LEU 55 Ca 0.00 -1.40 0.07 0.00 0.05 0.00 0.00 54.13 52.85 2gw6 s LEU 55 Cb 0.00 -0.72 -0.03 0.00 -2.05 0.00 0.00 46.19 43.39 2gw6 s LEU 55 CO 0.00 -0.53 -0.22 -0.63 -0.55 0.00 0.00 176.35 174.42 2gw6 s ILE 56 N -2.90 2.47 0.01 1.48 -1.09 -1.26 -0.02 121.20 119.89 2gw6 s ILE 56 Ca 0.33 -1.14 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 2gw6 s ILE 56 Cb 0.09 -1.96 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 2gw6 s ILE 56 CO 0.16 0.45 0.32 0.00 -1.23 0.00 0.00 174.94 174.64 2gw6 s LEU 58 N -1.65 3.81 -0.05 0.00 2.01 0.42 -0.22 118.68 122.99 2gw6 s LEU 58 Ca -0.10 -0.20 0.02 0.00 0.01 0.00 0.00 54.13 53.86 2gw6 s LEU 58 Cb -0.03 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.17 2gw6 s LEU 58 CO 0.01 -0.08 -0.08 -0.69 1.01 0.00 0.00 176.35 176.52 2gw6 s VAL 59 N 1.67 0.80 0.00 -1.59 1.01 -0.57 0.02 120.40 121.74 2gw6 s VAL 59 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2gw6 s VAL 59 Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2gw6 s VAL 59 CO 0.07 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2gw6 n GLY 60 N 3.88 2.70 3.25 4.51 0.00 -1.24 -1.43 105.19 116.86 2gw6 n GLY 60 Ca -0.24 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2gw6 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gw6 s THR 61 N -1.72 3.39 0.09 2.61 2.01 -0.01 -4.55 115.64 117.46 2gw6 s THR 61 Ca 0.00 -0.98 -0.35 0.00 0.31 0.00 0.00 61.69 60.67 2gw6 s THR 61 Cb 0.00 -2.79 -0.16 0.00 0.01 0.00 0.00 72.50 69.55 2gw6 s THR 61 CO 0.00 0.06 1.58 -0.33 -0.69 0.00 0.00 174.62 175.23 2gw6 h GLU 62 N 8.11 -0.92 -3.40 4.92 3.07 -1.90 -0.44 114.58 124.02 2gw6 h GLU 62 Ca -0.29 0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.35 2gw6 h GLU 62 Cb 1.10 0.21 -0.33 0.00 -0.84 0.00 0.00 28.75 28.89 2gw6 h GLU 62 CO 0.58 -0.62 -0.68 0.42 -1.40 0.00 0.00 179.01 177.32 2gw6 s ILE 63 N -5.91 -0.06 0.21 3.13 -1.09 -1.26 -2.81 121.20 113.41 2gw6 s ILE 63 Ca -0.18 0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 58.15 2gw6 s ILE 63 Cb 0.05 -0.15 -0.15 0.00 -1.58 0.00 0.00 42.46 40.62 2gw6 s ILE 63 CO 0.61 0.09 1.09 -0.62 -1.23 0.00 0.00 174.94 174.88 2gw6 n GLU 64 N 4.26 1.18 0.00 2.79 4.71 -1.26 -0.69 120.64 131.62 2gw6 n GLU 64 Ca -0.26 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 2gw6 n GLU 64 Cb 0.51 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gw6 n GLY 65 N 1.78 2.76 0.00 0.62 0.00 -1.26 -5.01 105.19 104.08 2gw6 n GLY 65 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 1.88 0.00 1.61 1.02 0.13 -5.06 120.64 120.23 2gw6 n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gw6 n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw6 n GLY 67 N 5.00 -0.61 2.58 0.62 0.00 -1.26 -4.85 105.19 106.67 2gw6 n GLY 67 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2gw6 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gw6 s LEU 68 N 0.00 0.22 -0.30 0.99 1.98 -1.26 -5.06 118.68 115.25 2gw6 s LEU 68 Ca 0.00 -2.38 -0.11 0.00 -2.89 0.00 0.00 54.13 48.75 2gw6 s LEU 68 Cb 0.00 0.50 0.16 0.00 0.66 0.00 0.00 46.19 47.51 2gw6 s LEU 68 CO 0.00 -0.15 0.85 -1.58 -1.89 0.00 0.00 176.35 173.58 2gw6 s GLN 69 N 0.56 0.40 -0.14 1.98 0.74 -1.26 -4.91 119.66 117.02 2gw6 s GLN 69 Ca 0.29 0.90 0.01 0.00 0.05 0.00 0.00 55.36 56.61 2gw6 s GLN 69 Cb -0.01 0.53 0.02 0.00 1.10 0.00 0.00 33.01 34.65 2gw6 s GLN 69 CO -0.12 -0.23 -0.18 0.99 -0.55 0.00 0.00 175.29 175.20 2gw6 s THR 70 N 2.71 1.79 -0.15 -0.34 2.01 -1.26 -3.71 115.64 116.69 2gw6 s THR 70 Ca 0.01 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2gw6 s THR 70 Cb -0.10 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2gw6 s THR 70 CO -0.17 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.49 2gw6 s VAL 71 N 1.13 3.56 -0.10 3.82 1.01 0.10 -0.55 120.40 129.37 2gw6 s VAL 71 Ca -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2gw6 s VAL 71 Cb -0.14 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2gw6 s VAL 71 CO -0.06 0.50 -0.17 0.54 0.00 0.00 0.00 175.10 175.90 2gw6 s VAL 72 N 0.46 1.62 0.15 2.92 0.11 -0.78 -0.44 120.40 124.44 2gw6 s VAL 72 Ca -0.06 -0.73 -0.31 0.00 -2.93 0.00 0.00 61.98 57.95 2gw6 s VAL 72 Cb -0.15 -1.45 -0.10 0.00 -1.53 0.00 0.00 36.38 33.15 2gw6 s VAL 72 CO 0.03 0.46 1.68 -2.16 -3.33 0.00 0.00 175.10 171.79 2gw6 s PRO 73 N 0.79 4.17 -0.12 1.54 0.04 -1.26 -2.07 135.00 138.09 2gw6 s PRO 73 Ca -0.10 2.47 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 2gw6 s PRO 73 Cb -0.16 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.12 2gw6 s PRO 73 CO 0.01 -0.72 0.07 0.99 0.04 0.00 0.00 177.00 177.40 2gw6 s THR 74 N 1.76 -0.04 0.73 1.26 2.01 0.73 -4.91 115.64 117.19 2gw6 s THR 74 Ca 0.74 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.66 2gw6 s THR 74 Cb -0.45 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 71.66 2gw6 s THR 74 CO 0.33 -0.07 1.15 -2.16 -0.69 0.00 0.00 174.62 173.17 2gw6 s PRO 75 N 2.13 2.26 0.30 4.92 0.04 -1.26 -1.17 135.00 142.21 2gw6 s PRO 75 Ca 0.03 1.52 0.18 0.00 0.04 0.00 0.00 61.00 62.78 2gw6 s PRO 75 Cb -0.14 -1.87 1.00 0.00 0.04 0.00 0.00 34.50 33.53 2gw6 s PRO 75 CO -0.06 -1.69 1.55 1.51 0.04 0.00 0.00 177.00 178.34 2gw6 n ILE 76 N -2.90 1.04 0.05 0.56 0.00 0.37 -0.96 119.36 117.52 2gw6 n ILE 76 Ca 0.12 0.72 0.04 0.00 0.00 0.00 0.00 62.75 63.63 2gw6 n ILE 76 Cb 0.51 -1.72 0.09 0.00 0.00 0.00 0.00 39.64 38.52 2gw6 n ILE 76 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2gw6 n THR 77 N -2.16 0.63 -2.19 9.51 5.66 -1.26 -5.01 114.28 119.46 2gw6 n THR 77 Ca -0.01 -0.81 -0.26 0.00 -3.05 0.00 0.00 64.05 59.91 2gw6 n THR 77 Cb 0.08 0.76 0.07 0.00 -1.55 0.00 0.00 70.33 69.69 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 -0.90 3.12 -0.23 1.79 0.00 -0.14 -5.03 121.76 120.37 2gw6 s ALA 78 Ca 0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 2gw6 s ALA 78 Cb 0.09 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2gw6 s ALA 78 CO 0.12 -1.36 0.14 -1.54 0.00 0.00 0.00 175.76 173.13 2gw6 s SER 79 N -4.54 6.05 0.38 0.00 1.04 -1.26 -4.93 113.70 110.44 2gw6 s SER 79 Ca 0.61 0.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.12 2gw6 s SER 79 Cb -0.10 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 2gw6 s SER 79 CO 0.45 0.09 0.65 -0.22 0.98 0.00 0.00 173.24 175.19 2gw6 s LEU 80 N 0.90 3.88 -0.15 2.42 2.96 -1.26 -4.95 118.68 122.48 2gw6 s LEU 80 Ca 0.07 0.73 -0.34 0.00 -0.22 0.00 0.00 54.13 54.37 2gw6 s LEU 80 Cb -0.13 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.08 2gw6 s LEU 80 CO 0.03 -0.37 1.23 -0.94 -1.32 0.00 0.00 176.35 174.97 2gw6 s SER 81 N -3.77 -0.12 0.38 3.68 1.04 -1.26 -4.89 113.70 108.76 2gw6 s SER 81 Ca 0.44 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 57.12 2gw6 s SER 81 Cb -0.10 0.15 1.14 0.00 0.10 0.00 0.00 66.02 67.31 2gw6 s SER 81 CO 0.37 -0.25 1.82 1.12 0.98 0.00 0.00 173.24 177.29 2gw6 h HIS 82 N 2.00 0.00 -0.14 5.02 2.07 -2.01 -2.58 115.15 119.51 2gw6 h HIS 82 Ca -0.13 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.29 2gw6 h HIS 82 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2gw6 h HIS 82 CO 0.29 0.00 -0.30 -0.97 -3.07 0.00 0.00 177.93 173.89 2gw6 h ASN 83 N 0.00 0.51 -0.84 3.10 -1.24 -2.00 -3.20 115.58 111.91 2gw6 h ASN 83 Ca 0.00 -0.56 0.11 0.00 0.71 0.00 0.00 56.30 56.57 2gw6 h ASN 83 Cb 0.42 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.24 2gw6 h ASN 83 CO 0.00 0.97 0.47 -0.09 -1.29 0.00 0.00 177.43 177.49 2gw6 h ARG 84 N 0.07 0.72 -0.10 6.67 9.65 -1.81 -1.18 114.38 128.39 2gw6 h ARG 84 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2gw6 h ARG 84 Cb 0.89 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2gw6 h ARG 84 CO 0.07 0.47 0.03 0.97 2.80 0.00 0.00 179.97 184.31 2gw6 h ILE 85 N 0.74 1.17 -0.85 1.20 2.10 -1.58 -2.25 117.51 118.04 2gw6 h ILE 85 Ca 0.43 -0.52 0.11 0.00 1.08 0.00 0.00 64.86 65.96 2gw6 h ILE 85 Cb 0.47 1.33 -0.08 0.00 -1.09 0.00 0.00 36.82 37.46 2gw6 h ILE 85 CO -0.29 0.15 0.48 -0.09 -1.08 0.00 0.00 178.15 177.32 2gw6 h ARG 86 N -0.02 0.75 -0.03 2.19 1.12 -1.26 0.34 114.38 117.47 2gw6 h ARG 86 Ca 0.03 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.71 2gw6 h ARG 86 Cb 0.21 -0.17 0.01 0.00 -0.01 0.00 0.00 29.97 30.01 2gw6 h ARG 86 CO -0.00 0.50 -0.56 1.05 -3.11 0.00 0.00 179.97 177.85 2gw6 h GLU 87 N 0.78 0.44 -0.46 0.20 4.11 -1.26 -2.76 114.58 115.62 2gw6 h GLU 87 Ca 0.42 -0.43 -0.07 0.00 0.07 0.00 0.00 59.36 59.35 2gw6 h GLU 87 Cb 0.44 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2gw6 h GLU 87 CO -0.27 1.08 -0.01 0.82 0.07 0.00 0.00 179.01 180.69 2gw6 h ILE 88 N -0.05 1.24 0.08 -1.06 2.04 -0.99 -1.99 117.51 116.78 2gw6 h ILE 88 Ca -0.06 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.82 2gw6 h ILE 88 Cb 1.25 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2gw6 h ILE 88 CO 0.11 0.35 -0.36 -0.07 0.00 0.00 0.00 178.15 178.19 2gw6 h LEU 89 N 0.71 -1.05 -0.96 1.44 3.38 -0.33 0.24 115.31 118.73 2gw6 h LEU 89 Ca 0.14 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.33 2gw6 h LEU 89 Cb 0.46 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 2gw6 h LEU 89 CO 0.02 -0.43 0.60 0.50 0.09 0.00 0.00 178.44 179.22 2gw6 h LYS 90 N -0.56 0.97 -0.10 1.13 3.64 -1.18 0.33 116.57 120.81 2gw6 h LYS 90 Ca 0.04 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2gw6 h LYS 90 Cb 0.61 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2gw6 h LYS 90 CO -0.24 0.64 0.04 0.00 -2.27 0.00 0.00 179.45 177.63 2gw6 h ALA 91 N 1.50 0.13 -0.76 5.00 0.00 -0.89 -0.64 119.26 123.60 2gw6 h ALA 91 Ca 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2gw6 h ALA 91 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2gw6 h ALA 91 CO -0.24 -0.30 0.35 0.77 0.00 0.00 0.00 179.25 179.83 2gw6 h SER 92 N 0.02 1.00 1.00 0.00 0.02 0.29 -1.24 113.55 114.64 2gw6 h SER 92 Ca 0.03 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2gw6 h SER 92 Cb 0.14 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2gw6 h SER 92 CO -0.00 0.86 0.00 0.03 -1.14 0.00 0.00 176.83 176.58 2gw6 h ARG 93 N 1.07 0.00 0.08 3.45 3.08 -0.20 0.44 114.38 122.30 2gw6 h ARG 93 Ca 0.26 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 2gw6 h ARG 93 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.21 2gw6 h ARG 93 CO -0.03 0.00 -0.88 -0.22 -1.07 0.00 0.00 179.97 177.77 2gw6 h LYS 94 N 0.00 0.46 0.17 0.04 3.64 -0.44 -2.13 116.57 118.32 2gw6 h LYS 94 Ca 0.00 -0.60 -0.30 0.00 -1.27 0.00 0.00 60.65 58.48 2gw6 h LYS 94 Cb 0.50 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2gw6 h LYS 94 CO 0.00 1.24 -1.45 1.25 -2.27 0.00 0.00 179.45 178.22 2gw6 h LEU 95 N -0.03 0.57 -0.22 5.20 5.85 -0.48 -3.32 115.31 122.88 2gw6 h LEU 95 Ca -0.13 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.68 2gw6 h LEU 95 Cb 1.61 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2gw6 h LEU 95 CO 0.17 1.66 -0.42 0.00 -0.34 0.00 0.00 178.44 179.52 2gw6 n GLN 96 N -3.80 0.36 -2.97 1.25 3.00 0.15 -4.96 117.38 110.41 2gw6 n GLN 96 Ca -0.22 -0.22 -0.21 0.00 -0.01 0.00 0.00 57.00 56.35 2gw6 n GLN 96 Cb 0.99 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.74 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gw6 n GLY 97 N 1.43 -0.50 3.41 1.08 0.00 -0.81 -4.96 105.19 104.84 2gw6 n GLY 97 Ca 0.08 0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2gw6 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gw6 s ASP 98 N -2.52 6.18 -0.33 1.61 1.01 -1.21 -5.01 116.67 116.40 2gw6 s ASP 98 Ca 0.25 -1.17 -0.27 0.00 0.71 0.00 0.00 52.55 52.06 2gw6 s ASP 98 Cb -0.12 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2gw6 s ASP 98 CO 0.31 -0.79 1.00 -2.16 0.21 0.00 0.00 175.17 173.74 2gw6 s PRO 99 N 2.13 3.99 -0.18 8.23 0.05 -1.26 -4.55 135.00 143.41 2gw6 s PRO 99 Ca 0.09 0.87 -0.04 0.00 0.05 0.00 0.00 61.00 61.98 2gw6 s PRO 99 Cb -0.22 -3.76 0.01 0.00 0.05 0.00 0.00 34.50 30.59 2gw6 s PRO 99 CO 0.09 -0.89 0.07 -0.25 0.05 0.00 0.00 177.00 176.07 2gw6 n ASP 100 N 6.78 -5.50 -3.66 6.66 9.92 -1.26 -5.08 116.55 124.41 2gw6 n ASP 100 Ca 0.10 1.17 -0.08 0.00 -0.53 0.00 0.00 54.79 55.45 2gw6 n ASP 100 Cb 0.47 -4.18 -0.09 0.00 -0.64 0.00 0.00 41.12 36.69 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2gw6 s LEU 101 N -1.04 -0.59 -0.28 0.64 0.20 -1.26 -5.10 118.68 111.24 2gw6 s LEU 101 Ca -0.09 1.24 -0.31 0.00 0.69 0.00 0.00 54.13 55.67 2gw6 s LEU 101 Cb 0.01 1.92 -0.08 0.00 -0.43 0.00 0.00 46.19 47.60 2gw6 s LEU 101 CO 0.55 -0.22 2.21 -2.65 -0.29 0.00 0.00 176.35 175.96 2gw6 n PRO 102 N 4.37 1.54 -4.40 0.98 -0.02 -1.26 -4.92 135.00 131.29 2gw6 n PRO 102 Ca -0.21 0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 2gw6 n PRO 102 Cb 0.57 -2.88 -0.10 0.00 -0.02 0.00 0.00 33.50 31.06 2gw6 n PRO 102 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2gw6 s MET 103 N 6.33 1.49 0.22 -0.52 1.75 -1.26 -5.10 119.30 122.21 2gw6 s MET 103 Ca 1.05 -1.66 -0.21 0.00 -1.25 0.00 0.00 55.69 53.62 2gw6 s MET 103 Cb -0.57 -1.44 0.04 0.00 2.84 0.00 0.00 34.83 35.69 2gw6 s MET 103 CO 0.41 0.26 0.63 -1.12 -0.65 0.00 0.00 175.02 174.56 2gw6 s SER 104 N -3.36 -0.36 0.06 1.11 0.01 -1.26 -4.24 113.70 105.66 2gw6 s SER 104 Ca 0.26 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 57.01 2gw6 s SER 104 Cb -0.03 0.65 0.01 0.00 0.21 0.00 0.00 66.02 66.86 2gw6 s SER 104 CO 0.11 -1.16 0.26 0.72 0.41 0.00 0.00 173.24 173.58 2gw6 s PHE 105 N -3.86 -0.02 -0.16 2.43 -0.12 -1.16 -4.44 117.98 110.65 2gw6 s PHE 105 Ca 0.08 -0.23 -0.19 0.00 -0.05 0.00 0.00 56.93 56.53 2gw6 s PHE 105 Cb -0.03 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 2gw6 s PHE 105 CO -0.02 -0.52 0.55 0.99 -0.05 0.00 0.00 175.22 176.17 2gw6 s THR 106 N -3.02 5.10 -0.10 -4.49 2.01 0.28 -2.11 115.64 113.32 2gw6 s THR 106 Ca -0.02 1.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 2gw6 s THR 106 Cb 0.01 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2gw6 s THR 106 CO -0.06 0.21 0.64 -0.76 -0.69 0.00 0.00 174.62 173.95 2gw6 s LEU 107 N 1.33 4.28 -0.45 4.42 1.43 0.56 -1.86 118.68 128.40 2gw6 s LEU 107 Ca 0.27 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.34 2gw6 s LEU 107 Cb -0.16 -2.96 0.11 0.00 0.03 0.00 0.00 46.19 43.21 2gw6 s LEU 107 CO 0.11 -0.11 0.29 0.00 0.23 0.00 0.00 176.35 176.87 2gw6 s ALA 108 N 0.93 3.31 -0.16 4.21 0.00 -0.88 -0.55 121.76 128.62 2gw6 s ALA 108 Ca 0.33 -2.48 -0.23 0.00 0.00 0.00 0.00 51.96 49.59 2gw6 s ALA 108 Cb -0.17 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 2gw6 s ALA 108 CO 0.15 -1.84 0.71 0.42 0.00 0.00 0.00 175.76 175.20 2gw6 s ILE 109 N 1.31 4.98 -0.15 0.00 1.01 0.21 -0.19 121.20 128.37 2gw6 s ILE 109 Ca 0.06 1.39 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2gw6 s ILE 109 Cb -0.25 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2gw6 s ILE 109 CO -0.01 0.12 -0.18 0.54 0.00 0.00 0.00 174.94 175.40 2gw6 s VAL 110 N 1.70 2.35 0.37 2.92 0.11 -0.31 0.20 120.40 127.73 2gw6 s VAL 110 Ca 0.34 -0.87 -0.23 0.00 -2.93 0.00 0.00 61.98 58.28 2gw6 s VAL 110 Cb -0.16 -1.97 -0.10 0.00 -1.53 0.00 0.00 36.38 32.61 2gw6 s VAL 110 CO 0.13 0.53 0.93 -0.70 -3.33 0.00 0.00 175.10 172.66 2gw6 s GLU 111 N 0.90 4.40 0.35 1.54 -6.30 0.80 -0.48 118.70 119.91 2gw6 s GLU 111 Ca -0.04 1.20 0.09 0.00 -2.50 0.00 0.00 54.97 53.72 2gw6 s GLU 111 Cb -0.15 -2.51 0.82 0.00 0.00 0.00 0.00 34.13 32.29 2gw6 s GLU 111 CO -0.03 0.14 1.87 0.77 0.02 0.00 0.00 175.26 178.03 2gw6 h SER 112 N 2.58 0.66 0.05 -1.70 0.02 -1.99 -2.43 113.55 110.73 2gw6 h SER 112 Ca -0.48 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.36 2gw6 h SER 112 Cb 1.19 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.65 2gw6 h SER 112 CO 0.63 0.33 -0.62 -0.78 -1.14 0.00 0.00 176.83 175.25 2gw6 h ASP 113 N 0.69 0.45 0.00 3.07 3.58 -2.05 -3.48 116.42 118.69 2gw6 h ASP 113 Ca 0.45 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2gw6 h ASP 113 Cb 0.73 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2gw6 h ASP 113 CO -0.21 1.25 0.00 -1.20 -2.88 0.00 0.00 179.24 176.20 2gw6 n SER 114 N -4.23 0.00 -4.46 2.28 7.64 -0.91 -5.13 113.62 108.81 2gw6 n SER 114 Ca -0.12 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.29 2gw6 n SER 114 Cb 0.71 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.83 2gw6 n SER 114 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2gw6 n THR 115 N 0.00 0.11 -3.69 0.44 -1.04 -1.26 -4.64 114.28 104.21 2gw6 n THR 115 Ca 0.00 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 2gw6 n THR 115 Cb 0.00 -1.62 -0.09 0.00 -1.82 0.00 0.00 70.33 66.79 2gw6 n THR 115 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2gw6 s ILE 116 N 8.25 5.33 -0.18 12.58 1.01 -1.26 -0.14 121.20 146.79 2gw6 s ILE 116 Ca 1.12 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 2gw6 s ILE 116 Cb -0.83 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 38.22 2gw6 s ILE 116 CO 0.46 0.37 -0.03 -0.69 0.00 0.00 0.00 174.94 175.05 2gw6 s VAL 117 N 0.89 1.01 0.27 2.92 1.01 0.13 -4.96 120.40 121.68 2gw6 s VAL 117 Ca 0.07 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 2gw6 s VAL 117 Cb -0.13 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 2gw6 s VAL 117 CO 0.03 0.03 0.91 -0.31 0.00 0.00 0.00 175.10 175.76 2gw6 s TYR 118 N 1.66 3.81 -0.05 5.22 1.51 -1.26 -0.62 117.35 127.62 2gw6 s TYR 118 Ca -0.00 1.79 -0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2gw6 s TYR 118 Cb -0.16 -2.90 0.04 0.00 -0.11 0.00 0.00 41.96 38.82 2gw6 s TYR 118 CO -0.07 0.33 0.09 -0.47 -1.11 0.00 0.00 175.55 174.32 2gw6 s TYR 119 N -1.42 -0.05 -0.29 2.71 5.04 0.29 -4.95 117.35 118.69 2gw6 s TYR 119 Ca 0.45 0.34 -0.13 0.00 -2.44 0.00 0.00 57.07 55.29 2gw6 s TYR 119 Cb -0.21 -0.27 -0.04 0.00 0.35 0.00 0.00 41.96 41.78 2gw6 s TYR 119 CO 0.26 -0.17 0.28 0.21 -1.34 0.00 0.00 175.55 174.80 2gw6 s LYS 120 N 1.63 3.89 -0.10 4.97 2.36 -1.26 -0.32 119.74 130.91 2gw6 s LYS 120 Ca -0.03 -0.23 -0.13 0.00 -2.55 0.00 0.00 55.97 53.03 2gw6 s LYS 120 Cb -0.12 -3.69 -0.05 0.00 -1.05 0.00 0.00 37.83 32.92 2gw6 s LYS 120 CO -0.04 -0.28 0.30 -1.17 1.55 0.00 0.00 175.35 175.71 2gw6 s LEU 121 N 1.90 4.36 0.13 5.43 0.20 -0.90 -4.98 118.68 124.82 2gw6 s LEU 121 Ca 0.10 0.66 0.05 0.00 0.69 0.00 0.00 54.13 55.64 2gw6 s LEU 121 Cb -0.16 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 2gw6 s LEU 121 CO 0.11 0.24 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.40 2gw6 s THR 122 N -0.38 1.25 0.00 3.68 2.01 -1.26 -3.00 115.64 117.95 2gw6 s THR 122 Ca 0.19 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2gw6 s THR 122 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.73 2gw6 s THR 122 CO 0.07 -0.55 0.00 -0.67 -0.69 0.00 0.00 174.62 172.78