#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 0.00 -2.58 1.43 0.00 -1.26 -4.91 120.64 113.33 2gw6 n GLU 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2gw6 n GLU 2 Cb 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 31.44 31.46 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2gw6 n ASP 3 N -2.47 2.64 -1.41 -1.84 5.68 -1.26 -4.79 116.55 113.11 2gw6 n ASP 3 Ca 0.00 -2.65 0.04 0.00 -0.50 0.00 0.00 54.79 51.68 2gw6 n ASP 3 Cb 0.00 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 39.59 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gw6 n ALA 4 N -0.57 2.61 -0.05 2.12 0.00 -1.26 -4.35 120.51 119.01 2gw6 n ALA 4 Ca 0.19 -2.54 -0.01 0.00 0.00 0.00 0.00 53.44 51.08 2gw6 n ALA 4 Cb 0.84 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.07 0.00 -3.79 0.00 4.06 -1.87 -3.39 115.95 112.04 2gw6 h TRP 5 Ca -0.18 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.11 2gw6 h TRP 5 Cb 1.72 0.00 -0.38 0.00 -1.00 0.00 0.00 29.16 29.50 2gw6 h TRP 5 CO 0.30 0.00 -0.78 0.00 -3.56 0.00 0.00 178.44 174.40 2gw6 s MET 6 N -1.64 1.96 0.00 0.49 0.23 -1.26 -4.86 119.30 114.22 2gw6 s MET 6 Ca -0.02 -1.45 0.00 0.00 -1.03 0.00 0.00 55.69 53.19 2gw6 s MET 6 Cb 0.00 -2.93 0.00 0.00 -1.53 0.00 0.00 34.83 30.38 2gw6 s MET 6 CO 0.03 -0.68 0.00 0.41 -2.03 0.00 0.00 175.02 172.76 2gw6 n GLY 7 N 4.41 1.75 1.75 3.16 0.00 -1.26 -4.69 105.19 110.31 2gw6 n GLY 7 Ca -0.09 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 2.36 -3.53 2.61 -2.24 -1.26 -4.46 114.28 107.76 2gw6 n THR 8 Ca 0.00 -1.19 -0.39 0.00 -2.27 0.00 0.00 64.05 60.20 2gw6 n THR 8 Cb 0.00 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.43 2gw6 n THR 8 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2gw6 s HIS 9 N -2.01 3.23 0.25 4.78 2.46 -1.26 -4.24 115.29 118.48 2gw6 s HIS 9 Ca 0.35 0.12 -0.08 0.00 0.47 0.00 0.00 55.06 55.92 2gw6 s HIS 9 Cb 0.29 -2.45 0.42 0.00 -0.13 0.00 0.00 32.58 30.71 2gw6 s HIS 9 CO 0.06 -0.22 1.63 -1.35 -2.47 0.00 0.00 174.74 172.39 2gw6 h PRO 10 N 8.36 0.07 0.00 2.88 0.11 -1.91 0.25 132.00 141.76 2gw6 h PRO 10 Ca -0.33 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 2gw6 h PRO 10 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2gw6 h PRO 10 CO 0.59 0.05 -0.27 0.87 -0.21 0.00 0.00 178.00 179.03 2gw6 h LYS 11 N 0.08 0.00 -0.16 1.05 1.57 -1.97 -0.61 116.57 116.53 2gw6 h LYS 11 Ca 0.41 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.07 2gw6 h LYS 11 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2gw6 h LYS 11 CO -0.70 0.27 -0.36 -0.92 -0.57 0.00 0.00 179.45 177.17 2gw6 h TYR 12 N 0.00 0.67 -0.54 -1.35 3.20 -0.94 -2.05 116.97 115.96 2gw6 h TYR 12 Ca -0.00 -0.25 0.09 0.00 3.14 0.00 0.00 58.73 61.71 2gw6 h TYR 12 Cb 0.60 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.68 2gw6 h TYR 12 CO 0.00 0.99 0.15 -0.07 -1.64 0.00 0.00 178.16 177.59 2gw6 h LEU 13 N 0.16 0.08 -1.34 2.82 -0.00 -0.36 0.83 115.31 117.50 2gw6 h LEU 13 Ca 0.00 0.09 0.15 0.00 -0.00 0.00 0.00 57.88 58.11 2gw6 h LEU 13 Cb 0.96 0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 41.66 2gw6 h LEU 13 CO 0.08 0.07 0.56 -0.33 -0.00 0.00 0.00 178.44 178.82 2gw6 h GLU 14 N 0.30 0.62 -0.01 1.13 5.08 -1.04 -0.32 114.58 120.34 2gw6 h GLU 14 Ca 0.27 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.41 2gw6 h GLU 14 Cb 0.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2gw6 h GLU 14 CO -0.32 0.41 -0.82 1.98 -1.00 0.00 0.00 179.01 179.26 2gw6 h MET 15 N 0.64 0.22 -0.21 2.33 4.05 -0.34 -3.15 114.93 118.47 2gw6 h MET 15 Ca 0.44 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 2gw6 h MET 15 Cb 0.75 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 2gw6 h MET 15 CO -0.19 0.92 -0.11 0.52 0.23 0.00 0.00 176.91 178.28 2gw6 h MET 16 N 0.13 0.33 0.00 0.39 2.86 0.80 -2.40 114.93 117.05 2gw6 h MET 16 Ca -0.04 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2gw6 h MET 16 Cb 1.42 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2gw6 h MET 16 CO 0.13 0.45 0.00 0.93 1.06 0.00 0.00 176.91 179.48 2gw6 h GLU 17 N 0.32 0.00 0.00 1.72 5.08 -1.30 -3.45 114.58 116.95 2gw6 h GLU 17 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2gw6 h GLU 17 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2gw6 h GLU 17 CO 0.02 0.00 0.00 1.47 -1.00 0.00 0.00 179.01 179.50 2gw6 n LEU 18 N -2.49 0.00 -3.32 1.33 -0.00 -0.90 -4.99 117.00 106.63 2gw6 n LEU 18 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 2gw6 n LEU 18 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.63 2gw6 n LEU 18 CO 0.20 0.00 -0.02 0.47 -0.00 0.00 0.00 177.39 178.03 2gw6 n ASP 19 N -0.20 -6.51 0.00 1.45 8.00 -1.26 -3.38 116.55 114.65 2gw6 n ASP 19 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2gw6 n ASP 19 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -1.33 0.00 -0.53 0.53 5.41 -1.26 -3.76 119.36 118.42 2gw6 n ILE 20 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2gw6 n ILE 20 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 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 0.00 0.60 3.06 7.39 0.00 -1.22 -5.10 105.19 109.93 2gw6 n GLY 21 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.67 2.54 0.32 1.61 -1.08 -1.25 -5.01 116.67 112.13 2gw6 s ASP 22 Ca 0.00 -0.45 0.08 0.00 -0.52 0.00 0.00 52.55 51.66 2gw6 s ASP 22 Cb 0.00 -1.14 0.53 0.00 -1.46 0.00 0.00 42.92 40.86 2gw6 s ASP 22 CO 0.00 0.01 1.74 0.00 0.52 0.00 0.00 175.17 177.44 2gw6 h ALA 23 N 7.50 1.19 -0.01 3.66 0.00 -1.99 -0.02 119.26 129.60 2gw6 h ALA 23 Ca -0.32 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 2gw6 h ALA 23 Cb 1.17 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2gw6 h ALA 23 CO 0.50 0.55 -0.65 1.15 0.00 0.00 0.00 179.25 180.80 2gw6 h THR 24 N 0.15 1.40 0.14 0.00 2.02 -1.99 -2.56 112.91 112.08 2gw6 h THR 24 Ca 0.02 -2.08 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 2gw6 h THR 24 Cb 0.76 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2gw6 h THR 24 CO 0.06 0.61 -0.10 -0.61 0.37 0.00 0.00 175.52 175.85 2gw6 h GLN 25 N -0.02 -0.23 -0.55 6.66 -0.00 -1.92 -1.89 115.11 117.16 2gw6 h GLN 25 Ca -0.08 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.62 2gw6 h GLN 25 Cb 1.35 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.85 2gw6 h GLN 25 CO 0.13 -0.16 0.36 -0.39 0.00 0.00 0.00 178.83 178.78 2gw6 h VAL 26 N -0.24 1.06 0.10 2.39 -1.51 -1.08 0.13 116.25 117.09 2gw6 h VAL 26 Ca -0.01 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.24 2gw6 h VAL 26 Cb 0.21 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 2gw6 h VAL 26 CO 0.00 0.11 -0.05 0.22 -1.23 0.00 0.00 177.57 176.63 2gw6 h TYR 27 N 0.62 -0.13 -0.33 5.19 3.20 -0.96 0.75 116.97 125.31 2gw6 h TYR 27 Ca 0.22 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2gw6 h TYR 27 Cb 0.12 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2gw6 h TYR 27 CO -0.00 -0.06 -0.13 0.28 -1.64 0.00 0.00 178.16 176.61 2gw6 h VAL 28 N -0.16 1.29 -0.74 1.81 2.07 -0.60 -2.21 116.25 117.71 2gw6 h VAL 28 Ca -0.01 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.30 2gw6 h VAL 28 Cb 0.13 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2gw6 h VAL 28 CO 0.02 0.40 0.49 0.00 0.02 0.00 0.00 177.57 178.49 2gw6 h ALA 29 N 0.79 0.94 -0.66 1.67 0.00 -0.76 -2.06 119.26 119.18 2gw6 h ALA 29 Ca 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2gw6 h ALA 29 Cb 0.65 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2gw6 h ALA 29 CO 0.04 0.34 0.39 0.35 0.00 0.00 0.00 179.25 180.37 2gw6 h PHE 30 N 0.99 0.72 -0.05 0.00 3.57 -0.57 0.27 116.94 121.86 2gw6 h PHE 30 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2gw6 h PHE 30 Cb -0.10 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 2gw6 h PHE 30 CO -0.02 0.38 0.02 -0.07 -2.23 0.00 0.00 178.31 176.39 2gw6 h LEU 31 N 0.74 0.03 -0.33 0.59 4.07 -0.92 -1.71 115.31 117.77 2gw6 h LEU 31 Ca 0.28 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 58.05 2gw6 h LEU 31 Cb 0.09 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2gw6 h LEU 31 CO -0.14 0.02 -0.84 -0.37 -1.08 0.00 0.00 178.44 176.04 2gw6 h VAL 32 N 0.05 1.46 -0.12 1.22 -1.51 -1.12 -1.83 116.25 114.41 2gw6 h VAL 32 Ca 0.02 -2.48 0.05 0.00 -1.23 0.00 0.00 66.70 63.05 2gw6 h VAL 32 Cb 0.01 2.37 -0.06 0.00 -2.13 0.00 0.00 31.29 31.48 2gw6 h VAL 32 CO -0.02 0.73 -0.26 0.22 -1.23 0.00 0.00 177.57 177.01 2gw6 h TYR 33 N 0.14 -0.71 0.00 5.19 3.20 -0.31 0.26 116.97 124.73 2gw6 h TYR 33 Ca -0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2gw6 h TYR 33 Cb 1.44 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 2gw6 h TYR 33 CO 0.03 -0.35 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.84 2gw6 h LEU 34 N -0.34 0.00 0.15 2.82 4.07 -1.32 -2.41 115.31 118.28 2gw6 h LEU 34 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2gw6 h LEU 34 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2gw6 h LEU 34 CO -0.31 0.29 -0.07 -0.78 -1.08 0.00 0.00 178.44 176.49 2gw6 h ASP 35 N 0.00 -0.17 -0.28 -0.43 3.58 -0.32 -0.08 116.42 118.72 2gw6 h ASP 35 Ca -0.00 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.16 2gw6 h ASP 35 Cb 0.58 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 2gw6 h ASP 35 CO 0.04 0.28 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.58 2gw6 h LEU 36 N -0.67 -0.18 -0.19 2.28 3.38 -0.56 0.21 115.31 119.59 2gw6 h LEU 36 Ca -0.02 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2gw6 h LEU 36 Cb 0.49 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2gw6 h LEU 36 CO 0.03 -0.06 0.08 -0.03 0.09 0.00 0.00 178.44 178.56 2gw6 h MET 37 N 0.04 0.18 0.00 1.13 4.05 -1.40 0.12 114.93 119.05 2gw6 h MET 37 Ca 0.14 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2gw6 h MET 37 Cb 0.19 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2gw6 h MET 37 CO -0.26 0.12 -0.67 0.93 0.23 0.00 0.00 176.91 177.26 2gw6 h GLU 38 N 0.18 0.00 0.00 0.39 4.39 -0.81 -2.90 114.58 115.83 2gw6 h GLU 38 Ca 0.08 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2gw6 h GLU 38 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2gw6 h GLU 38 CO -0.06 0.00 -1.37 0.45 -1.16 0.00 0.00 179.01 176.86 2gw6 n SER 39 N -2.43 1.11 0.10 1.42 2.88 0.73 -4.66 113.62 112.77 2gw6 n SER 39 Ca 0.02 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.87 2gw6 n SER 39 Cb 0.49 -0.44 0.25 0.00 -0.75 0.00 0.00 64.21 63.77 2gw6 n SER 39 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2gw6 h LYS 40 N -0.48 0.00 -6.11 -1.46 1.79 -1.08 -3.49 116.57 105.74 2gw6 h LYS 40 Ca -0.24 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.96 2gw6 h LYS 40 Cb 1.06 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.71 2gw6 h LYS 40 CO -0.15 0.00 -0.60 0.43 -1.08 0.00 0.00 179.45 178.05 2gw6 n SER 41 N -2.32 -6.19 -4.74 0.86 7.64 0.20 -4.93 113.62 104.13 2gw6 n SER 41 Ca 0.04 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 2gw6 n SER 41 Cb 0.45 -3.40 -0.03 0.00 -1.01 0.00 0.00 64.21 60.23 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 -3.02 3.34 0.47 1.43 0.52 -1.21 -4.92 118.94 115.54 2gw6 s TRP 42 Ca 0.03 1.36 0.15 0.00 0.02 0.00 0.00 56.10 57.66 2gw6 s TRP 42 Cb -0.01 -3.51 1.09 0.00 -1.15 0.00 0.00 33.47 29.89 2gw6 s TRP 42 CO 0.83 -1.48 2.03 1.25 0.02 0.00 0.00 176.95 179.60 2gw6 h HIS 43 N 5.10 0.00 -2.01 -1.98 -0.00 -0.61 -3.44 115.15 112.21 2gw6 h HIS 43 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 2gw6 h HIS 43 Cb 1.21 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.41 2gw6 h HIS 43 CO 0.62 0.14 0.08 -2.00 -0.00 0.00 0.00 177.93 176.77 2gw6 s GLU 44 N -4.73 0.79 -0.17 5.26 2.56 -0.12 -4.94 118.70 117.36 2gw6 s GLU 44 Ca -0.04 1.08 -0.02 0.00 0.00 0.00 0.00 54.97 55.99 2gw6 s GLU 44 Cb 0.16 0.31 0.05 0.00 2.00 0.00 0.00 34.13 36.65 2gw6 s GLU 44 CO 0.69 -0.12 0.01 0.08 -0.56 0.00 0.00 175.26 175.36 2gw6 s VAL 45 N 0.84 0.65 0.25 3.70 1.01 -1.26 -0.66 120.40 124.93 2gw6 s VAL 45 Ca -0.04 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2gw6 s VAL 45 Cb -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2gw6 s VAL 45 CO -0.07 -0.05 -0.02 0.20 0.00 0.00 0.00 175.10 175.15 2gw6 s ASN 46 N 1.82 4.47 -0.01 3.32 0.01 -0.81 -4.92 114.94 118.82 2gw6 s ASN 46 Ca 0.00 -0.64 0.02 0.00 -0.71 0.00 0.00 52.86 51.53 2gw6 s ASN 46 Cb -0.16 -0.81 -0.00 0.00 0.41 0.00 0.00 41.25 40.69 2gw6 s ASN 46 CO -0.07 0.02 -0.08 0.00 -1.51 0.00 0.00 177.10 175.46 2gw6 s VAL 48 N -0.08 0.49 -0.17 0.00 1.01 -0.10 -4.92 120.40 116.63 2gw6 s VAL 48 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2gw6 s VAL 48 Cb -0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2gw6 s VAL 48 CO -0.00 0.18 0.09 -0.83 0.00 0.00 0.00 175.10 174.54 2gw6 s GLY 49 N 0.46 1.99 -0.41 4.51 0.00 -1.26 -0.24 107.32 112.37 2gw6 s GLY 49 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 43.98 2gw6 s GLY 49 CO -0.00 -0.02 0.14 1.08 0.00 0.00 0.00 173.10 174.30 2gw6 s LEU 50 N 0.07 4.68 0.62 0.66 1.43 0.58 -4.84 118.68 121.88 2gw6 s LEU 50 Ca 0.07 -2.45 0.40 0.00 -1.03 0.00 0.00 54.13 51.12 2gw6 s LEU 50 Cb -0.12 -1.66 2.00 0.00 0.03 0.00 0.00 46.19 46.44 2gw6 s LEU 50 CO 0.00 -0.34 2.22 -0.65 0.23 0.00 0.00 176.35 177.80 2gw6 h PRO 51 N 7.26 0.00 -0.40 1.29 0.11 -1.94 -0.84 132.00 137.49 2gw6 h PRO 51 Ca -0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2gw6 h PRO 51 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2gw6 h PRO 51 CO 0.60 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.28 2gw6 h GLU 52 N 0.00 0.74 -0.02 1.05 5.08 -1.92 -2.91 114.58 116.60 2gw6 h GLU 52 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2gw6 h GLU 52 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2gw6 h GLU 52 CO 0.00 0.85 -0.10 1.28 -1.00 0.00 0.00 179.01 180.03 2gw6 n LEU 53 N -4.39 2.47 -1.26 1.33 4.77 -1.08 -4.94 117.00 113.91 2gw6 n LEU 53 Ca -0.01 -0.94 -0.16 0.00 -0.03 0.00 0.00 56.01 54.87 2gw6 n LEU 53 Cb 0.32 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2gw6 n LEU 53 CO 0.42 0.43 -0.15 1.67 -1.33 0.00 0.00 177.39 178.42 2gw6 n GLN 54 N 0.83 -1.12 -4.94 3.23 -0.06 -0.43 -4.96 117.38 109.94 2gw6 n GLN 54 Ca 0.11 1.04 -0.33 0.00 -2.00 0.00 0.00 57.00 55.83 2gw6 n GLN 54 Cb 0.48 -5.23 -0.14 0.00 -4.06 0.00 0.00 30.24 21.30 2gw6 n GLN 54 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2gw6 s LEU 55 N -3.68 2.64 -0.13 1.69 2.96 -0.57 -4.97 118.68 116.62 2gw6 s LEU 55 Ca 0.00 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2gw6 s LEU 55 Cb 0.00 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2gw6 s LEU 55 CO 0.00 0.32 0.13 -0.63 -1.32 0.00 0.00 176.35 174.85 2gw6 s ILE 56 N -0.56 5.41 -0.08 6.68 1.09 -1.26 -0.30 121.20 132.17 2gw6 s ILE 56 Ca 0.08 0.18 -0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2gw6 s ILE 56 Cb -0.11 -3.37 0.02 0.00 -1.06 0.00 0.00 42.46 37.94 2gw6 s ILE 56 CO 0.01 0.59 -0.04 0.00 -0.10 0.00 0.00 174.94 175.40 2gw6 s LEU 58 N 1.63 4.50 -0.12 0.00 2.96 -0.75 -0.93 118.68 125.98 2gw6 s LEU 58 Ca 0.01 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2gw6 s LEU 58 Cb -0.13 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2gw6 s LEU 58 CO -0.05 -0.47 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.74 2gw6 s VAL 59 N 2.22 1.08 0.25 1.68 1.01 -0.34 -1.19 120.40 125.11 2gw6 s VAL 59 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2gw6 s VAL 59 Cb -0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 2gw6 s VAL 59 CO 0.13 0.38 0.26 0.61 0.00 0.00 0.00 175.10 176.48 2gw6 n GLY 60 N 4.91 2.91 3.35 4.51 0.00 -1.26 -1.92 105.19 117.69 2gw6 n GLY 60 Ca -0.13 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.89 4.11 0.20 2.61 -4.23 0.17 -4.35 115.64 111.25 2gw6 s THR 61 Ca 0.27 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.93 2gw6 s THR 61 Cb 0.01 -3.18 0.08 0.00 1.34 0.00 0.00 72.50 70.74 2gw6 s THR 61 CO 0.19 -0.02 1.67 -0.08 -0.54 0.00 0.00 174.62 175.83 2gw6 h GLU 62 N 8.28 1.02 -3.65 3.99 4.81 -1.86 0.03 114.58 127.19 2gw6 h GLU 62 Ca -0.29 -0.31 -0.43 0.00 -0.13 0.00 0.00 59.36 58.20 2gw6 h GLU 62 Cb 1.12 -0.10 -0.38 0.00 0.63 0.00 0.00 28.75 30.02 2gw6 h GLU 62 CO 0.61 1.00 -0.76 0.42 -0.73 0.00 0.00 179.01 179.55 2gw6 s ILE 63 N -5.01 0.31 0.54 2.32 1.09 -1.26 -2.01 121.20 117.17 2gw6 s ILE 63 Ca -0.11 0.16 -0.21 0.00 -1.10 0.00 0.00 60.65 59.39 2gw6 s ILE 63 Cb 0.14 -0.48 -0.06 0.00 -1.06 0.00 0.00 42.46 41.00 2gw6 s ILE 63 CO 0.85 0.25 1.11 1.21 -0.10 0.00 0.00 174.94 178.26 2gw6 n GLU 64 N 5.14 1.29 0.00 2.79 4.07 -1.26 -1.87 120.64 130.80 2gw6 n GLU 64 Ca -0.07 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 2gw6 n GLU 64 Cb 0.50 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 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 1.08 2.24 2.20 8.31 0.00 -1.26 -4.71 105.19 113.05 2gw6 n GLY 65 Ca 0.11 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2gw6 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gw6 n GLU 66 N 0.00 2.36 -1.81 1.61 0.00 -0.78 -4.89 120.64 117.13 2gw6 n GLU 66 Ca 0.00 -2.99 -0.29 0.00 0.00 0.00 0.00 57.16 53.88 2gw6 n GLU 66 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 31.44 29.22 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2gw6 s GLY 67 N -1.25 -0.22 0.00 8.31 0.00 -1.22 -4.33 107.32 108.60 2gw6 s GLY 67 Ca 0.56 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2gw6 s GLY 67 CO 0.11 3.82 0.52 -0.10 0.00 0.00 0.00 173.10 177.45 2gw6 n LEU 68 N 15.28 -0.07 -4.89 0.66 -0.00 -1.26 -5.06 117.00 121.66 2gw6 n LEU 68 Ca 0.36 -1.04 -0.35 0.00 -0.00 0.00 0.00 56.01 54.97 2gw6 n LEU 68 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2gw6 n LEU 68 CO 0.64 1.02 -0.16 -1.10 -0.00 0.00 0.00 177.39 177.79 2gw6 s GLN 69 N 0.00 3.45 -0.05 1.96 -0.21 -1.26 -4.92 119.66 118.62 2gw6 s GLN 69 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.20 2gw6 s GLN 69 Cb 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.87 2gw6 s GLN 69 CO 0.00 0.73 -0.13 0.99 -2.12 0.00 0.00 175.29 174.76 2gw6 s THR 70 N -1.17 1.17 -0.02 -0.19 2.01 -1.26 -4.02 115.64 112.17 2gw6 s THR 70 Ca 0.21 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2gw6 s THR 70 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.36 2gw6 s THR 70 CO 0.11 0.35 -0.02 0.68 -0.69 0.00 0.00 174.62 175.05 2gw6 s VAL 71 N 0.31 0.26 -0.07 3.82 -7.23 -0.34 -1.34 120.40 115.81 2gw6 s VAL 71 Ca -0.08 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2gw6 s VAL 71 Cb -0.12 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.55 2gw6 s VAL 71 CO 0.02 0.12 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.16 2gw6 s VAL 72 N 0.54 0.95 0.17 1.32 1.01 -0.82 -1.81 120.40 121.77 2gw6 s VAL 72 Ca -0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.27 2gw6 s VAL 72 Cb -0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 36.38 35.25 2gw6 s VAL 72 CO -0.01 0.33 1.72 -0.81 0.00 0.00 0.00 175.10 176.33 2gw6 n PRO 73 N 4.19 2.63 -3.69 2.72 -0.04 -1.26 -2.39 135.00 137.17 2gw6 n PRO 73 Ca -0.20 0.95 -0.25 0.00 -0.04 0.00 0.00 63.50 63.96 2gw6 n PRO 73 Cb 0.51 -2.79 -0.17 0.00 -0.04 0.00 0.00 33.50 31.01 2gw6 n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gw6 s THR 74 N 1.52 0.20 0.64 0.52 2.01 0.78 -4.89 115.64 116.42 2gw6 s THR 74 Ca 0.78 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 2gw6 s THR 74 Cb -0.54 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 2gw6 s THR 74 CO 0.35 -0.09 1.07 -2.16 -0.69 0.00 0.00 174.62 173.10 2gw6 s PRO 75 N 2.02 3.03 0.55 4.92 0.04 -1.26 -1.01 135.00 143.30 2gw6 s PRO 75 Ca 0.02 1.21 0.35 0.00 0.04 0.00 0.00 61.00 62.62 2gw6 s PRO 75 Cb -0.15 -1.99 1.90 0.00 0.04 0.00 0.00 34.50 34.30 2gw6 s PRO 75 CO -0.07 -1.04 2.07 0.97 0.04 0.00 0.00 177.00 178.96 2gw6 h ILE 76 N 0.00 0.00 -0.04 0.56 -0.00 -1.46 -2.74 117.51 113.84 2gw6 h ILE 76 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 2gw6 h ILE 76 Cb 1.23 0.78 0.00 0.00 -0.00 0.00 0.00 36.82 38.82 2gw6 h ILE 76 CO 0.56 0.00 0.00 1.07 -0.00 0.00 0.00 178.15 179.78 2gw6 n THR 77 N -2.77 0.73 -4.17 2.19 5.66 -1.26 -5.03 114.28 109.63 2gw6 n THR 77 Ca -0.02 -0.87 -0.26 0.00 -3.05 0.00 0.00 64.05 59.85 2gw6 n THR 77 Cb 0.11 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 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 -0.77 3.80 0.10 1.79 0.00 -1.04 -5.11 121.76 120.55 2gw6 s ALA 78 Ca 0.03 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.30 2gw6 s ALA 78 Cb 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2gw6 s ALA 78 CO 0.02 -0.20 0.05 -1.54 0.00 0.00 0.00 175.76 174.10 2gw6 s SER 79 N -3.97 5.30 0.35 0.00 1.04 -1.26 -4.73 113.70 110.43 2gw6 s SER 79 Ca 0.35 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.75 2gw6 s SER 79 Cb 0.03 -1.34 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 2gw6 s SER 79 CO 0.20 0.15 0.08 -0.22 0.98 0.00 0.00 173.24 174.43 2gw6 s LEU 80 N -2.51 3.10 -0.00 2.42 2.96 -1.26 -4.97 118.68 118.42 2gw6 s LEU 80 Ca 0.28 -0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 52.97 2gw6 s LEU 80 Cb -0.11 -1.50 0.11 0.00 0.50 0.00 0.00 46.19 45.19 2gw6 s LEU 80 CO 0.21 -0.31 1.27 -0.94 -1.32 0.00 0.00 176.35 175.26 2gw6 s SER 81 N -3.79 -0.03 0.35 3.68 1.04 -1.26 -4.81 113.70 108.87 2gw6 s SER 81 Ca 0.37 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2gw6 s SER 81 Cb -0.00 0.18 0.64 0.00 0.10 0.00 0.00 66.02 66.94 2gw6 s SER 81 CO 0.21 -0.34 2.00 -0.74 0.98 0.00 0.00 173.24 175.35 2gw6 h HIS 82 N 2.00 0.81 -0.01 5.02 2.76 -2.01 0.18 115.15 123.89 2gw6 h HIS 82 Ca -0.28 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 57.78 2gw6 h HIS 82 Cb 1.20 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 29.90 2gw6 h HIS 82 CO 0.75 0.50 -0.52 -0.91 -1.30 0.00 0.00 177.93 176.45 2gw6 h ASN 83 N 0.86 0.48 -0.46 3.26 4.21 -1.99 -1.83 115.58 120.12 2gw6 h ASN 83 Ca 0.25 -0.75 -0.09 0.00 1.21 0.00 0.00 56.30 56.92 2gw6 h ASN 83 Cb -0.04 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 2gw6 h ASN 83 CO -0.06 1.16 -0.04 -0.09 -1.29 0.00 0.00 177.43 177.11 2gw6 h ARG 84 N -0.16 0.89 -0.34 0.81 1.12 -1.83 -1.18 114.38 113.69 2gw6 h ARG 84 Ca -0.06 -0.27 -0.12 0.00 -1.11 0.00 0.00 59.98 58.41 2gw6 h ARG 84 Cb 1.23 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 2gw6 h ARG 84 CO 0.10 0.91 -0.29 -0.84 -3.11 0.00 0.00 179.97 176.74 2gw6 h ILE 85 N 0.82 1.28 -0.69 1.20 3.07 -0.72 -0.42 117.51 122.05 2gw6 h ILE 85 Ca 0.15 -1.42 0.10 0.00 1.55 0.00 0.00 64.86 65.24 2gw6 h ILE 85 Cb 0.54 1.33 -0.08 0.00 -0.27 0.00 0.00 36.82 38.34 2gw6 h ILE 85 CO 0.03 0.47 0.31 0.03 -1.05 0.00 0.00 178.15 177.94 2gw6 h ARG 86 N 0.62 0.51 -0.28 0.16 2.47 -0.73 0.40 114.38 117.53 2gw6 h ARG 86 Ca 0.07 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.60 2gw6 h ARG 86 Cb 0.81 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2gw6 h ARG 86 CO 0.07 0.34 -0.50 0.93 0.56 0.00 0.00 179.97 181.37 2gw6 h GLU 87 N 0.52 0.76 -0.06 0.04 4.39 -0.93 -0.91 114.58 118.39 2gw6 h GLU 87 Ca 0.35 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2gw6 h GLU 87 Cb 0.43 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2gw6 h GLU 87 CO -0.31 1.08 0.02 0.82 -1.16 0.00 0.00 179.01 179.47 2gw6 h ILE 88 N 0.60 1.14 -0.42 3.13 2.04 -0.34 0.85 117.51 124.50 2gw6 h ILE 88 Ca 0.03 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.56 2gw6 h ILE 88 Cb 1.07 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2gw6 h ILE 88 CO 0.11 0.11 0.02 -0.07 0.00 0.00 0.00 178.15 178.32 2gw6 h LEU 89 N -0.06 -0.14 -0.11 1.44 3.38 -0.14 0.98 115.31 120.67 2gw6 h LEU 89 Ca 0.02 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2gw6 h LEU 89 Cb 0.16 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2gw6 h LEU 89 CO -0.00 -0.03 0.03 0.50 0.09 0.00 0.00 178.44 179.02 2gw6 h LYS 90 N 0.13 0.07 -0.06 1.13 3.64 -0.92 0.13 116.57 120.70 2gw6 h LYS 90 Ca 0.21 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2gw6 h LYS 90 Cb 0.30 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2gw6 h LYS 90 CO -0.33 0.05 -0.29 0.00 -2.27 0.00 0.00 179.45 176.60 2gw6 h ALA 91 N 1.07 -0.37 -0.42 5.00 0.00 -0.21 -0.43 119.26 123.90 2gw6 h ALA 91 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2gw6 h ALA 91 Cb 0.03 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2gw6 h ALA 91 CO -0.06 -0.79 -0.13 0.77 0.00 0.00 0.00 179.25 179.05 2gw6 h SER 92 N -0.41 0.85 -0.24 0.00 0.02 -0.49 -0.84 113.55 112.44 2gw6 h SER 92 Ca 0.08 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 2gw6 h SER 92 Cb 0.52 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2gw6 h SER 92 CO -0.29 1.03 -0.13 0.08 -1.14 0.00 0.00 176.83 176.38 2gw6 h ARG 93 N 0.66 0.65 0.00 3.45 0.11 -0.44 0.90 114.38 119.70 2gw6 h ARG 93 Ca 0.10 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2gw6 h ARG 93 Cb 0.68 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2gw6 h ARG 93 CO 0.05 0.76 -0.07 1.57 0.10 0.00 0.00 179.97 182.37 2gw6 h LYS 94 N 0.59 0.00 0.05 0.08 5.09 -0.99 0.23 116.57 121.62 2gw6 h LYS 94 Ca 0.10 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.57 2gw6 h LYS 94 Cb 0.57 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.92 2gw6 h LYS 94 CO 0.04 0.00 -1.09 1.25 -2.09 0.00 0.00 179.45 177.55 2gw6 h LEU 95 N 0.00 0.87 0.00 7.07 5.85 -0.62 -2.99 115.31 125.49 2gw6 h LEU 95 Ca 0.00 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 2gw6 h LEU 95 Cb 0.94 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2gw6 h LEU 95 CO 0.00 1.55 0.00 0.00 -0.34 0.00 0.00 178.44 179.65 2gw6 n GLN 96 N -3.86 0.92 -1.38 1.25 3.00 0.26 -4.90 117.38 112.66 2gw6 n GLN 96 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.74 2gw6 n GLN 96 Cb 0.91 -1.44 -0.05 0.00 0.00 0.00 0.00 30.24 29.66 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 0.78 1.32 2.58 1.08 0.00 -0.93 -4.99 105.19 105.04 2gw6 n GLY 97 Ca 0.19 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.86 3.56 0.00 1.61 1.01 0.75 -4.98 116.67 115.76 2gw6 s ASP 98 Ca 0.00 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 51.62 2gw6 s ASP 98 Cb 0.00 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.40 2gw6 s ASP 98 CO 0.00 -0.40 0.54 -0.81 0.21 0.00 0.00 175.17 174.71 2gw6 n PRO 99 N 4.80 0.72 -0.00 8.23 -0.04 -1.24 -3.19 135.00 144.27 2gw6 n PRO 99 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2gw6 n PRO 99 Cb 0.40 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 2gw6 n PRO 99 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gw6 n ASP 100 N -0.18 4.46 -4.68 3.54 -0.08 -1.26 -4.99 116.55 113.36 2gw6 n ASP 100 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2gw6 n ASP 100 Cb 0.09 0.89 -0.03 0.00 2.34 0.00 0.00 41.12 44.41 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2gw6 s LEU 101 N -3.55 4.40 -0.41 -2.67 1.43 -1.19 -4.93 118.68 111.76 2gw6 s LEU 101 Ca -0.01 2.66 -0.29 0.00 -1.03 0.00 0.00 54.13 55.46 2gw6 s LEU 101 Cb 0.01 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2gw6 s LEU 101 CO 0.10 -1.00 1.49 -2.16 0.23 0.00 0.00 176.35 175.01 2gw6 s PRO 102 N 3.41 3.50 0.34 1.29 0.04 -1.26 -4.87 135.00 137.46 2gw6 s PRO 102 Ca 0.82 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2gw6 s PRO 102 Cb -0.43 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 2gw6 s PRO 102 CO 0.37 -1.65 0.49 -1.64 0.04 0.00 0.00 177.00 174.60 2gw6 s MET 103 N 5.13 3.16 0.04 4.56 -1.94 -1.26 -5.01 119.30 123.98 2gw6 s MET 103 Ca 0.65 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 2gw6 s MET 103 Cb -0.15 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 2gw6 s MET 103 CO 0.33 0.07 -0.07 0.45 -0.01 0.00 0.00 175.02 175.78 2gw6 s SER 104 N -4.15 0.74 -0.03 3.03 0.15 -1.26 -3.25 113.70 108.93 2gw6 s SER 104 Ca 0.44 -0.51 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 2gw6 s SER 104 Cb -0.10 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2gw6 s SER 104 CO 0.32 -0.20 0.40 0.72 1.20 0.00 0.00 173.24 175.68 2gw6 s PHE 105 N -1.29 -0.31 -0.21 3.44 -0.12 -0.83 -4.37 117.98 114.29 2gw6 s PHE 105 Ca -0.10 0.53 -0.18 0.00 -0.05 0.00 0.00 56.93 57.13 2gw6 s PHE 105 Cb -0.09 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2gw6 s PHE 105 CO 0.00 -0.43 0.49 0.99 -0.05 0.00 0.00 175.22 176.22 2gw6 s THR 106 N -1.20 5.12 -0.08 -4.49 2.01 -0.45 -2.22 115.64 114.33 2gw6 s THR 106 Ca -0.12 0.87 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 2gw6 s THR 106 Cb -0.04 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2gw6 s THR 106 CO 0.05 0.18 0.91 -0.76 -0.69 0.00 0.00 174.62 174.31 2gw6 s LEU 107 N 1.66 4.28 -0.52 4.42 1.43 0.33 -1.94 118.68 128.34 2gw6 s LEU 107 Ca 0.22 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 2gw6 s LEU 107 Cb -0.15 -3.41 0.13 0.00 0.03 0.00 0.00 46.19 42.78 2gw6 s LEU 107 CO 0.09 -0.33 0.47 0.00 0.23 0.00 0.00 176.35 176.81 2gw6 s ALA 108 N 1.55 3.60 -0.35 4.21 0.00 -1.00 -0.97 121.76 128.79 2gw6 s ALA 108 Ca 0.45 -2.52 -0.26 0.00 0.00 0.00 0.00 51.96 49.64 2gw6 s ALA 108 Cb -0.19 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2gw6 s ALA 108 CO 0.20 -1.98 0.93 0.42 0.00 0.00 0.00 175.76 175.32 2gw6 s ILE 109 N 1.56 4.61 -0.37 0.00 1.01 0.55 -0.16 121.20 128.40 2gw6 s ILE 109 Ca 0.04 1.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.85 2gw6 s ILE 109 Cb -0.29 -4.32 0.03 0.00 0.01 0.00 0.00 42.46 37.89 2gw6 s ILE 109 CO 0.03 -0.48 0.20 0.68 0.00 0.00 0.00 174.94 175.36 2gw6 s VAL 110 N 3.42 4.51 0.53 2.92 -7.23 -0.18 -0.12 120.40 124.25 2gw6 s VAL 110 Ca 0.38 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.61 2gw6 s VAL 110 Cb -0.12 -3.52 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 2gw6 s VAL 110 CO 0.17 -0.24 0.83 -0.70 -0.31 0.00 0.00 175.10 174.86 2gw6 s GLU 111 N 1.54 3.24 0.52 4.82 -6.30 -0.23 -1.05 118.70 121.23 2gw6 s GLU 111 Ca 0.02 0.08 0.25 0.00 -2.50 0.00 0.00 54.97 52.82 2gw6 s GLU 111 Cb -0.19 -2.34 1.43 0.00 0.00 0.00 0.00 34.13 33.03 2gw6 s GLU 111 CO 0.06 -0.43 2.09 0.77 0.02 0.00 0.00 175.26 177.77 2gw6 h SER 112 N 0.05 0.00 -0.09 -1.70 0.02 -1.98 -0.44 113.55 109.41 2gw6 h SER 112 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2gw6 h SER 112 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2gw6 h SER 112 CO 0.61 0.11 0.00 -0.67 -1.14 0.00 0.00 176.83 175.74 2gw6 n ASP 113 N -3.82 0.92 -1.56 3.07 2.03 -1.26 -4.81 116.55 111.11 2gw6 n ASP 113 Ca -0.02 -2.04 -0.11 0.00 0.52 0.00 0.00 54.79 53.13 2gw6 n ASP 113 Cb 0.21 -0.24 0.01 0.00 -0.72 0.00 0.00 41.12 40.38 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2gw6 n SER 114 N -0.11 -3.83 -4.52 1.67 7.64 -0.19 -4.98 113.62 109.31 2gw6 n SER 114 Ca 0.03 -0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 2gw6 n SER 114 Cb 0.19 -2.82 -0.08 0.00 -1.01 0.00 0.00 64.21 60.50 2gw6 n SER 114 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gw6 s THR 115 N -2.78 4.96 -0.18 0.44 2.01 -1.14 -4.90 115.64 114.05 2gw6 s THR 115 Ca 0.12 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 2gw6 s THR 115 Cb -0.05 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2gw6 s THR 115 CO 0.14 -0.45 0.64 -0.63 -0.69 0.00 0.00 174.62 173.63 2gw6 s ILE 116 N 2.49 5.03 -0.15 1.82 1.09 -1.26 -1.07 121.20 129.15 2gw6 s ILE 116 Ca 0.18 1.22 0.01 0.00 -1.10 0.00 0.00 60.65 60.96 2gw6 s ILE 116 Cb -0.15 -3.95 0.02 0.00 -1.06 0.00 0.00 42.46 37.31 2gw6 s ILE 116 CO 0.16 0.13 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.28 2gw6 s VAL 117 N 1.74 1.72 0.16 2.92 1.01 0.83 -4.93 120.40 123.84 2gw6 s VAL 117 Ca 0.30 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 2gw6 s VAL 117 Cb -0.16 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 2gw6 s VAL 117 CO 0.11 0.48 0.89 -0.31 0.00 0.00 0.00 175.10 176.28 2gw6 s TYR 118 N 1.34 3.88 -0.05 5.22 2.02 -1.26 -0.33 117.35 128.17 2gw6 s TYR 118 Ca 0.03 1.76 -0.01 0.00 -0.37 0.00 0.00 57.07 58.49 2gw6 s TYR 118 Cb -0.13 -2.94 0.03 0.00 -0.40 0.00 0.00 41.96 38.51 2gw6 s TYR 118 CO -0.10 0.36 0.01 -0.47 -1.57 0.00 0.00 175.55 173.78 2gw6 s TYR 119 N -0.62 0.43 -0.28 2.71 5.04 -0.15 -4.96 117.35 119.52 2gw6 s TYR 119 Ca 0.42 -0.03 -0.27 0.00 -2.44 0.00 0.00 57.07 54.75 2gw6 s TYR 119 Cb -0.24 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.49 2gw6 s TYR 119 CO 0.29 -0.22 0.95 0.21 -1.34 0.00 0.00 175.55 175.44 2gw6 s LYS 120 N 1.60 4.11 -0.10 4.97 2.47 -1.26 -0.51 119.74 131.01 2gw6 s LYS 120 Ca -0.01 1.00 -0.00 0.00 -1.56 0.00 0.00 55.97 55.39 2gw6 s LYS 120 Cb -0.13 -3.70 -0.03 0.00 -1.46 0.00 0.00 37.83 32.52 2gw6 s LYS 120 CO -0.03 -0.72 -0.09 -1.17 0.16 0.00 0.00 175.35 173.51 2gw6 s LEU 121 N 3.23 3.03 -0.04 5.43 0.20 -0.94 -4.98 118.68 124.61 2gw6 s LEU 121 Ca 0.40 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 55.11 2gw6 s LEU 121 Cb -0.14 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2gw6 s LEU 121 CO 0.11 0.27 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.45 2gw6 s THR 122 N -0.27 0.87 0.00 3.68 2.01 -1.26 -1.96 115.64 118.71 2gw6 s THR 122 Ca 0.03 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2gw6 s THR 122 Cb -0.13 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2gw6 s THR 122 CO 0.03 0.28 0.44 -0.67 -0.69 0.00 0.00 174.62 174.01