#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 2.58 0.13 1.43 4.71 -1.26 -4.78 120.64 123.46 2gw6 n GLU 2 Ca 0.00 -1.72 -0.01 0.00 -0.01 0.00 0.00 57.16 55.42 2gw6 n GLU 2 Cb 0.00 -1.10 0.24 0.00 -1.01 0.00 0.00 31.44 29.57 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2gw6 h ASP 3 N 0.00 0.10 0.00 1.62 5.19 -1.97 -3.41 116.42 117.95 2gw6 h ASP 3 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2gw6 h ASP 3 Cb 0.62 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2gw6 h ASP 3 CO 0.00 0.57 0.00 0.00 -3.12 0.00 0.00 179.24 176.69 2gw6 n ALA 4 N -2.46 0.00 -0.97 3.45 0.00 -1.26 -2.17 120.51 117.10 2gw6 n ALA 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gw6 n ALA 4 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2gw6 n ALA 4 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2gw6 n TRP 5 N 0.00 0.00 0.04 0.00 7.02 -1.26 -4.67 117.44 118.57 2gw6 n TRP 5 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2gw6 n TRP 5 Cb 0.00 -0.84 0.00 0.00 -2.42 0.00 0.00 31.31 28.05 2gw6 n TRP 5 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2gw6 n MET 6 N -1.36 0.00 0.00 -0.99 2.81 -1.26 -4.89 117.12 111.44 2gw6 n MET 6 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2gw6 n MET 6 Cb 0.19 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 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 3.27 -1.05 2.86 3.03 0.00 -1.26 -4.97 105.19 107.08 2gw6 n GLY 7 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.71 -2.39 -5.00 2.61 -2.24 -0.92 -5.03 114.28 99.60 2gw6 n THR 8 Ca 0.00 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 2gw6 n THR 8 Cb 0.00 -3.37 -0.16 0.00 -2.10 0.00 0.00 70.33 64.71 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 -3.22 2.68 0.25 4.78 3.76 -1.26 -5.04 115.29 117.24 2gw6 s HIS 9 Ca 0.32 -0.83 -0.06 0.00 -0.15 0.00 0.00 55.06 54.34 2gw6 s HIS 9 Cb -0.14 -1.77 0.47 0.00 1.11 0.00 0.00 32.58 32.24 2gw6 s HIS 9 CO 0.49 -0.31 1.64 -1.35 -0.85 0.00 0.00 174.74 174.36 2gw6 h PRO 10 N 6.68 0.12 0.00 8.40 0.11 -1.99 0.26 132.00 145.58 2gw6 h PRO 10 Ca -0.23 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 2gw6 h PRO 10 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2gw6 h PRO 10 CO 0.51 0.08 -0.30 0.87 -0.21 0.00 0.00 178.00 178.95 2gw6 h LYS 11 N 0.12 0.00 -0.32 1.05 1.57 -1.98 0.39 116.57 117.40 2gw6 h LYS 11 Ca 0.43 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.12 2gw6 h LYS 11 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2gw6 h LYS 11 CO -0.66 0.30 -0.12 -0.92 -0.57 0.00 0.00 179.45 177.47 2gw6 h TYR 12 N 0.00 0.74 -0.54 -1.35 5.03 -1.39 -2.15 116.97 117.31 2gw6 h TYR 12 Ca -0.00 -0.17 -0.11 0.00 2.58 0.00 0.00 58.73 61.02 2gw6 h TYR 12 Cb 0.58 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 2gw6 h TYR 12 CO 0.00 0.85 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.51 2gw6 h LEU 13 N 0.42 1.02 -0.66 2.82 4.07 -0.68 -0.91 115.31 121.39 2gw6 h LEU 13 Ca 0.07 -0.34 0.13 0.00 0.08 0.00 0.00 57.88 57.83 2gw6 h LEU 13 Cb 0.64 -0.28 -0.10 0.00 1.08 0.00 0.00 40.66 42.01 2gw6 h LEU 13 CO 0.04 1.13 0.13 -0.08 -1.08 0.00 0.00 178.44 178.59 2gw6 h GLU 14 N 0.90 0.24 -0.43 1.13 4.57 -0.18 -1.16 114.58 119.66 2gw6 h GLU 14 Ca 0.14 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.17 2gw6 h GLU 14 Cb 0.68 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2gw6 h GLU 14 CO 0.05 0.16 -0.25 1.98 -1.18 0.00 0.00 179.01 179.77 2gw6 h MET 15 N 0.25 0.90 -0.05 1.92 4.05 -1.00 -3.16 114.93 117.85 2gw6 h MET 15 Ca 0.35 -0.40 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2gw6 h MET 15 Cb 0.56 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2gw6 h MET 15 CO -0.46 1.05 0.13 1.98 0.23 0.00 0.00 176.91 179.85 2gw6 h MET 16 N 0.77 0.00 0.00 0.39 1.85 0.10 -1.20 114.93 116.84 2gw6 h MET 16 Ca 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 2gw6 h MET 16 Cb 0.81 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.84 2gw6 h MET 16 CO 0.07 0.00 0.00 0.39 -0.40 0.00 0.00 176.91 176.97 2gw6 n GLU 17 N -3.29 0.55 -1.32 0.39 1.02 -1.05 -4.75 120.64 112.19 2gw6 n GLU 17 Ca -0.02 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2gw6 n GLU 17 Cb 0.21 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.32 2gw6 n GLU 17 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2gw6 s LEU 18 N -2.24 1.49 0.00 -4.62 0.05 -0.46 -4.92 118.68 107.99 2gw6 s LEU 18 Ca 0.29 0.82 0.00 0.00 0.05 0.00 0.00 54.13 55.29 2gw6 s LEU 18 Cb 0.15 -2.86 0.00 0.00 -2.05 0.00 0.00 46.19 41.43 2gw6 s LEU 18 CO 0.30 -3.30 0.38 0.47 -0.55 0.00 0.00 176.35 173.64 2gw6 n ASP 19 N -4.24 0.90 0.03 1.48 9.92 -1.26 -4.21 116.55 119.17 2gw6 n ASP 19 Ca 0.09 -1.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 2gw6 n ASP 19 Cb 0.59 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2gw6 n ASP 19 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2gw6 n ILE 20 N 0.30 0.00 -2.92 0.53 -5.35 -1.26 -4.77 119.36 105.89 2gw6 n ILE 20 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 2gw6 n ILE 20 Cb 0.19 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.10 2gw6 n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gw6 n GLY 21 N -1.44 -2.09 3.76 3.28 0.00 -1.26 -4.95 105.19 102.49 2gw6 n GLY 21 Ca 0.00 0.83 -0.37 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.94 6.51 0.28 1.61 2.15 -1.26 -4.92 116.67 119.11 2gw6 s ASP 22 Ca 0.15 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.74 2gw6 s ASP 22 Cb -0.03 -2.19 0.68 0.00 -0.30 0.00 0.00 42.92 41.08 2gw6 s ASP 22 CO 0.71 0.16 1.65 0.00 -0.17 0.00 0.00 175.17 177.51 2gw6 h ALA 23 N 6.20 1.22 -0.04 3.66 0.00 -1.99 0.26 119.26 128.58 2gw6 h ALA 23 Ca -0.44 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2gw6 h ALA 23 Cb 1.18 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2gw6 h ALA 23 CO 0.72 -0.46 -0.03 1.15 0.00 0.00 0.00 179.25 180.63 2gw6 h THR 24 N 0.20 1.36 -0.09 0.00 2.02 -2.00 -2.52 112.91 111.87 2gw6 h THR 24 Ca 0.54 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2gw6 h THR 24 Cb 1.07 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 2gw6 h THR 24 CO -0.66 0.30 -0.02 1.56 0.37 0.00 0.00 175.52 177.08 2gw6 h GLN 25 N -0.34 0.01 -0.89 6.66 1.08 -1.63 -2.37 115.11 117.62 2gw6 h GLN 25 Ca 0.01 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2gw6 h GLN 25 Cb 0.50 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 2gw6 h GLN 25 CO 0.01 0.00 0.59 0.28 -0.95 0.00 0.00 178.83 178.76 2gw6 h VAL 26 N 0.01 1.16 -0.14 -0.54 2.07 -0.59 0.28 116.25 118.50 2gw6 h VAL 26 Ca 0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2gw6 h VAL 26 Cb 0.06 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2gw6 h VAL 26 CO -0.09 0.21 0.06 0.22 0.02 0.00 0.00 177.57 177.99 2gw6 h TYR 27 N 1.13 0.21 -0.31 1.57 3.20 -1.19 0.16 116.97 121.74 2gw6 h TYR 27 Ca 0.35 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.07 2gw6 h TYR 27 Cb -0.01 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2gw6 h TYR 27 CO -0.00 0.27 -0.34 0.28 -1.64 0.00 0.00 178.16 176.72 2gw6 h VAL 28 N 0.09 1.29 -0.83 1.81 2.07 -0.93 -2.18 116.25 117.58 2gw6 h VAL 28 Ca 0.05 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2gw6 h VAL 28 Cb 0.14 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2gw6 h VAL 28 CO -0.01 0.49 0.41 0.00 0.02 0.00 0.00 177.57 178.49 2gw6 h ALA 29 N 0.72 1.07 -0.73 1.67 0.00 -0.40 -1.93 119.26 119.67 2gw6 h ALA 29 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2gw6 h ALA 29 Cb 0.93 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2gw6 h ALA 29 CO 0.08 0.63 0.48 0.35 0.00 0.00 0.00 179.25 180.79 2gw6 h PHE 30 N 1.18 0.90 0.07 0.00 3.57 -0.49 0.33 116.94 122.50 2gw6 h PHE 30 Ca 0.29 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.82 2gw6 h PHE 30 Cb 0.11 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2gw6 h PHE 30 CO 0.01 0.56 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.44 2gw6 h LEU 31 N 0.97 -0.40 -0.45 0.59 3.38 -0.85 -1.26 115.31 117.29 2gw6 h LEU 31 Ca 0.27 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 2gw6 h LEU 31 Cb -0.09 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2gw6 h LEU 31 CO -0.07 -0.21 -0.75 -0.37 0.09 0.00 0.00 178.44 177.13 2gw6 h VAL 32 N -0.28 1.44 -0.21 1.22 -1.51 -1.12 -2.30 116.25 113.49 2gw6 h VAL 32 Ca 0.03 -2.31 0.06 0.00 -1.23 0.00 0.00 66.70 63.25 2gw6 h VAL 32 Cb 0.30 2.24 -0.07 0.00 -2.13 0.00 0.00 31.29 31.63 2gw6 h VAL 32 CO -0.09 0.68 -0.25 0.22 -1.23 0.00 0.00 177.57 176.90 2gw6 h TYR 33 N 0.15 -0.67 0.00 5.19 3.20 -0.04 0.13 116.97 124.93 2gw6 h TYR 33 Ca -0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2gw6 h TYR 33 Cb 1.32 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 2gw6 h TYR 33 CO 0.03 -0.33 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.97 2gw6 h LEU 34 N -0.27 0.00 0.08 2.82 4.07 -1.17 -1.15 115.31 119.68 2gw6 h LEU 34 Ca 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 2gw6 h LEU 34 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2gw6 h LEU 34 CO -0.37 0.18 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.35 2gw6 h ASP 35 N 0.00 -0.09 -0.45 -0.43 1.82 -0.61 0.86 116.42 117.51 2gw6 h ASP 35 Ca -0.00 -0.50 -0.08 0.00 -0.39 0.00 0.00 57.03 56.06 2gw6 h ASP 35 Cb 0.38 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2gw6 h ASP 35 CO 0.02 0.51 0.00 -0.07 -1.61 0.00 0.00 179.24 178.10 2gw6 h LEU 36 N -0.75 0.84 0.04 2.28 3.38 -0.76 0.27 115.31 120.61 2gw6 h LEU 36 Ca -0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2gw6 h LEU 36 Cb 0.59 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2gw6 h LEU 36 CO 0.02 0.90 -0.33 -0.03 0.09 0.00 0.00 178.44 179.09 2gw6 h MET 37 N 0.80 0.15 0.00 1.13 4.05 -1.27 0.12 114.93 119.92 2gw6 h MET 37 Ca 0.15 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2gw6 h MET 37 Cb 0.48 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2gw6 h MET 37 CO 0.02 1.03 -1.19 0.39 0.23 0.00 0.00 176.91 177.40 2gw6 n GLU 38 N -4.43 0.28 -0.06 0.39 1.02 0.29 -3.08 120.64 115.05 2gw6 n GLU 38 Ca -0.11 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2gw6 n GLU 38 Cb 0.58 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2gw6 n SER 39 N -1.89 0.97 0.04 1.62 2.88 0.76 -4.58 113.62 113.43 2gw6 n SER 39 Ca 0.01 0.16 0.13 0.00 -1.33 0.00 0.00 58.87 57.85 2gw6 n SER 39 Cb 0.43 -0.39 0.35 0.00 -0.75 0.00 0.00 64.21 63.85 2gw6 n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2gw6 n LYS 40 N -3.62 0.15 -2.41 -1.46 4.76 -0.08 -5.01 118.16 110.50 2gw6 n LYS 40 Ca -0.23 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.09 2gw6 n LYS 40 Cb 0.62 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 32.20 2gw6 n LYS 40 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2gw6 n SER 41 N -1.88 -3.26 -4.99 4.39 7.64 0.38 -4.95 113.62 110.96 2gw6 n SER 41 Ca 0.05 -0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2gw6 n SER 41 Cb 0.39 -0.92 0.03 0.00 -1.01 0.00 0.00 64.21 62.70 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 -0.81 2.38 0.24 1.43 0.23 -0.99 -5.00 118.94 116.43 2gw6 s TRP 42 Ca 0.20 -0.41 -0.02 0.00 -2.03 0.00 0.00 56.10 53.84 2gw6 s TRP 42 Cb -0.02 -2.44 0.28 0.00 0.03 0.00 0.00 33.47 31.31 2gw6 s TRP 42 CO 0.44 -0.77 1.68 1.25 0.96 0.00 0.00 176.95 180.51 2gw6 h HIS 43 N 0.34 0.77 -2.54 -1.98 -0.00 -1.52 -3.46 115.15 106.77 2gw6 h HIS 43 Ca -0.38 -0.16 -0.10 0.00 -0.00 0.00 0.00 60.37 59.74 2gw6 h HIS 43 Cb 1.28 -0.19 -0.24 0.00 -0.00 0.00 0.00 27.41 28.27 2gw6 h HIS 43 CO 0.36 0.83 -0.17 -2.00 -0.00 0.00 0.00 177.93 176.95 2gw6 s GLU 44 N -4.63 0.54 -0.04 5.26 2.56 0.17 -4.95 118.70 117.61 2gw6 s GLU 44 Ca -0.09 0.74 -0.02 0.00 0.00 0.00 0.00 54.97 55.61 2gw6 s GLU 44 Cb 0.13 0.20 0.03 0.00 2.00 0.00 0.00 34.13 36.49 2gw6 s GLU 44 CO 0.82 -0.09 0.05 0.08 -0.56 0.00 0.00 175.26 175.55 2gw6 s VAL 45 N 0.62 -0.07 0.17 3.70 1.01 -1.26 -0.99 120.40 123.58 2gw6 s VAL 45 Ca -0.03 0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.43 2gw6 s VAL 45 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2gw6 s VAL 45 CO -0.04 0.17 -0.21 0.20 0.00 0.00 0.00 175.10 175.22 2gw6 s ASN 46 N 2.00 3.64 -0.18 3.32 0.01 -0.76 -4.92 114.94 118.05 2gw6 s ASN 46 Ca 0.03 -0.76 -0.00 0.00 -0.71 0.00 0.00 52.86 51.42 2gw6 s ASN 46 Cb -0.12 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.16 2gw6 s ASN 46 CO -0.03 0.13 -0.14 0.00 -1.51 0.00 0.00 177.10 175.55 2gw6 s VAL 48 N 1.09 1.71 -0.32 0.00 1.01 0.17 -4.96 120.40 119.11 2gw6 s VAL 48 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2gw6 s VAL 48 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2gw6 s VAL 48 CO -0.04 0.48 0.38 -0.83 0.00 0.00 0.00 175.10 175.09 2gw6 s GLY 49 N 0.61 1.88 -0.50 4.51 0.00 -1.26 -0.22 107.32 112.34 2gw6 s GLY 49 Ca -0.14 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 2gw6 s GLY 49 CO 0.04 1.02 0.41 -2.27 0.00 0.00 0.00 173.10 172.31 2gw6 s LEU 50 N 2.08 5.89 0.28 0.66 1.98 0.46 -4.59 118.68 125.45 2gw6 s LEU 50 Ca 0.14 -1.84 -0.01 0.00 -2.89 0.00 0.00 54.13 49.52 2gw6 s LEU 50 Cb -0.16 -2.10 0.45 0.00 0.66 0.00 0.00 46.19 45.05 2gw6 s LEU 50 CO 0.11 -0.76 1.91 -0.65 -1.89 0.00 0.00 176.35 175.08 2gw6 h PRO 51 N 8.64 1.09 -0.84 0.98 0.11 -1.86 0.16 132.00 140.28 2gw6 h PRO 51 Ca -0.25 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.81 2gw6 h PRO 51 Cb 1.09 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 2gw6 h PRO 51 CO 0.93 0.72 0.55 1.49 -0.21 0.00 0.00 178.00 181.48 2gw6 h GLU 52 N 1.12 1.07 0.00 1.05 4.81 -1.96 -1.84 114.58 118.83 2gw6 h GLU 52 Ca 0.39 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2gw6 h GLU 52 Cb 0.12 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2gw6 h GLU 52 CO -0.14 0.71 -1.03 1.28 -0.73 0.00 0.00 179.01 179.10 2gw6 n LEU 53 N -4.53 0.67 -3.77 1.64 4.77 -1.12 -4.98 117.00 109.70 2gw6 n LEU 53 Ca 0.09 -0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 2gw6 n LEU 53 Cb 0.04 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2gw6 n LEU 53 CO 0.35 0.12 -0.12 1.67 -1.33 0.00 0.00 177.39 178.09 2gw6 n GLN 54 N -1.76 -1.90 -4.30 3.23 7.27 0.52 -5.01 117.38 115.43 2gw6 n GLN 54 Ca 0.03 0.44 -0.16 0.00 0.07 0.00 0.00 57.00 57.37 2gw6 n GLN 54 Cb 0.40 -4.21 -0.10 0.00 2.41 0.00 0.00 30.24 28.73 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 2gw6 s LEU 55 N -6.65 1.69 -0.06 1.69 0.05 -0.98 -4.99 118.68 109.44 2gw6 s LEU 55 Ca 0.33 -1.35 0.03 0.00 0.05 0.00 0.00 54.13 53.19 2gw6 s LEU 55 Cb -0.12 0.02 -0.02 0.00 -2.05 0.00 0.00 46.19 44.01 2gw6 s LEU 55 CO 0.87 -0.71 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.19 2gw6 s ILE 56 N -3.75 3.04 -0.02 1.48 -1.09 -1.26 -0.40 121.20 119.20 2gw6 s ILE 56 Ca 0.36 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2gw6 s ILE 56 Cb 0.08 -2.20 0.01 0.00 -1.58 0.00 0.00 42.46 38.77 2gw6 s ILE 56 CO 0.12 0.58 -0.04 0.00 -1.23 0.00 0.00 174.94 174.38 2gw6 s LEU 58 N 0.38 4.24 -0.17 0.00 1.02 -0.16 -0.65 118.68 123.33 2gw6 s LEU 58 Ca -0.04 -0.67 0.01 0.00 0.02 0.00 0.00 54.13 53.45 2gw6 s LEU 58 Cb -0.08 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.16 2gw6 s LEU 58 CO -0.00 -0.24 -0.19 -0.69 0.02 0.00 0.00 176.35 175.24 2gw6 s VAL 59 N 1.58 1.99 0.35 -1.59 1.01 -0.75 0.69 120.40 123.68 2gw6 s VAL 59 Ca 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2gw6 s VAL 59 Cb -0.18 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 2gw6 s VAL 59 CO 0.06 0.53 0.05 -0.83 0.00 0.00 0.00 175.10 174.91 2gw6 s GLY 60 N 1.30 2.23 -0.44 4.51 0.00 -0.57 -1.82 107.32 112.53 2gw6 s GLY 60 Ca 0.05 -2.04 -0.13 0.00 0.00 0.00 0.00 44.72 42.60 2gw6 s GLY 60 CO -0.12 -1.89 0.32 -1.59 0.00 0.00 0.00 173.10 169.81 2gw6 s THR 61 N -3.14 4.86 0.19 0.90 2.01 -0.16 -3.67 115.64 116.63 2gw6 s THR 61 Ca 0.35 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 2gw6 s THR 61 Cb 0.09 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.77 2gw6 s THR 61 CO 0.16 -0.48 1.62 1.05 -0.69 0.00 0.00 174.62 176.28 2gw6 h GLU 62 N 8.60 0.93 -3.94 4.92 9.09 -1.89 0.53 114.58 132.81 2gw6 h GLU 62 Ca -0.26 -0.35 -0.51 0.00 0.05 0.00 0.00 59.36 58.29 2gw6 h GLU 62 Cb 1.10 -0.05 -0.38 0.00 -1.65 0.00 0.00 28.75 27.77 2gw6 h GLU 62 CO 0.80 1.01 -0.78 -1.50 0.05 0.00 0.00 179.01 178.58 2gw6 s ILE 63 N -4.76 0.78 -0.23 -1.06 1.10 -1.26 -2.59 121.20 113.18 2gw6 s ILE 63 Ca -0.11 -0.31 -0.37 0.00 -0.51 0.00 0.00 60.65 59.35 2gw6 s ILE 63 Cb 0.13 -0.97 -0.13 0.00 0.15 0.00 0.00 42.46 41.64 2gw6 s ILE 63 CO 0.85 0.17 1.88 -1.84 -2.11 0.00 0.00 174.94 173.90 2gw6 n GLU 64 N 5.00 1.50 0.00 3.50 0.28 -1.26 -1.19 120.64 128.47 2gw6 n GLU 64 Ca -0.10 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2gw6 n GLU 64 Cb 0.49 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 30.99 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gw6 n GLY 65 N 4.75 3.65 0.00 -1.84 0.00 -1.26 -5.01 105.19 105.48 2gw6 n GLY 65 Ca 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.00 1.61 -0.58 -0.33 -5.10 120.64 116.24 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 0.75 0.00 0.62 0.00 -1.25 -4.85 105.19 105.46 2gw6 n GLY 67 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.58 -4.69 0.99 7.99 -1.26 -4.85 117.00 116.77 2gw6 n LEU 68 Ca 0.00 -1.58 -0.36 0.00 -0.01 0.00 0.00 56.01 54.05 2gw6 n LEU 68 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 2gw6 n LEU 68 CO 0.00 0.40 -0.13 -1.10 -1.51 0.00 0.00 177.39 175.04 2gw6 s GLN 69 N -0.67 4.14 -0.12 3.23 -1.52 -1.24 -4.96 119.66 118.52 2gw6 s GLN 69 Ca 0.00 -0.17 0.03 0.00 -1.95 0.00 0.00 55.36 53.27 2gw6 s GLN 69 Cb 0.00 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 2gw6 s GLN 69 CO 0.00 0.14 -0.22 0.99 -0.25 0.00 0.00 175.29 175.95 2gw6 s THR 70 N 0.80 2.12 -0.09 -0.19 2.01 -1.26 -1.51 115.64 117.52 2gw6 s THR 70 Ca 0.10 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2gw6 s THR 70 Cb -0.13 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.57 2gw6 s THR 70 CO 0.03 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 2gw6 s VAL 71 N 0.56 1.06 -0.24 3.82 1.01 0.22 -2.12 120.40 124.71 2gw6 s VAL 71 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2gw6 s VAL 71 Cb -0.17 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.21 2gw6 s VAL 71 CO 0.04 0.36 -0.09 -0.69 0.00 0.00 0.00 175.10 174.72 2gw6 s VAL 72 N 1.22 2.67 0.00 2.92 1.01 -0.86 -0.98 120.40 126.38 2gw6 s VAL 72 Ca -0.04 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 2gw6 s VAL 72 Cb -0.14 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 2gw6 s VAL 72 CO -0.03 0.23 1.96 -0.81 0.00 0.00 0.00 175.10 176.45 2gw6 n PRO 73 N 4.63 2.69 -3.68 2.72 -0.04 -1.26 -2.13 135.00 137.94 2gw6 n PRO 73 Ca -0.17 0.98 -0.18 0.00 -0.04 0.00 0.00 63.50 64.10 2gw6 n PRO 73 Cb 0.47 -2.93 -0.16 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.49 -0.18 0.52 0.52 2.01 0.58 -4.91 115.64 118.68 2gw6 s THR 74 Ca 0.90 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 2gw6 s THR 74 Cb -0.49 -0.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 2gw6 s THR 74 CO 0.44 0.15 0.92 -2.16 -0.69 0.00 0.00 174.62 173.29 2gw6 s PRO 75 N 2.12 3.73 0.15 4.92 0.04 -1.26 -0.26 135.00 144.44 2gw6 s PRO 75 Ca 0.02 0.67 0.21 0.00 0.04 0.00 0.00 61.00 61.94 2gw6 s PRO 75 Cb -0.12 -2.21 0.86 0.00 0.04 0.00 0.00 34.50 33.07 2gw6 s PRO 75 CO -0.05 -0.31 1.64 -0.89 0.04 0.00 0.00 177.00 177.44 2gw6 n ILE 76 N -2.02 0.82 1.21 0.56 5.41 0.56 -2.13 119.36 123.77 2gw6 n ILE 76 Ca 0.05 0.18 0.13 0.00 1.00 0.00 0.00 62.75 64.10 2gw6 n ILE 76 Cb 0.54 -1.01 0.31 0.00 -0.71 0.00 0.00 39.64 38.77 2gw6 n ILE 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2gw6 n THR 77 N -1.93 0.03 -4.50 1.39 -1.04 -1.26 -4.90 114.28 102.07 2gw6 n THR 77 Ca 0.03 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.05 61.37 2gw6 n THR 77 Cb 0.23 0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 69.66 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gw6 n ALA 78 N 0.77 0.49 -2.54 2.41 0.00 -0.90 -5.15 120.51 115.58 2gw6 n ALA 78 Ca 0.17 -2.08 -0.24 0.00 0.00 0.00 0.00 53.44 51.29 2gw6 n ALA 78 Cb 0.48 1.07 -0.14 0.00 0.00 0.00 0.00 19.45 20.86 2gw6 n ALA 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gw6 s SER 79 N -3.66 2.23 0.70 0.00 1.04 -1.26 -4.88 113.70 107.87 2gw6 s SER 79 Ca 0.07 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 2gw6 s SER 79 Cb -0.01 -0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.06 2gw6 s SER 79 CO 0.04 0.10 0.97 -0.22 0.98 0.00 0.00 173.24 175.11 2gw6 s LEU 80 N -1.29 3.01 -0.10 2.42 2.96 -1.26 -5.06 118.68 119.35 2gw6 s LEU 80 Ca 0.05 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 2gw6 s LEU 80 Cb -0.09 -2.28 0.11 0.00 0.50 0.00 0.00 46.19 44.44 2gw6 s LEU 80 CO 0.02 -1.74 0.93 -0.44 -1.32 0.00 0.00 176.35 173.80 2gw6 s SER 81 N -4.66 -0.40 0.46 3.68 0.01 -1.26 -4.91 113.70 106.62 2gw6 s SER 81 Ca 0.64 0.31 0.25 0.00 1.31 0.00 0.00 55.95 58.46 2gw6 s SER 81 Cb -0.07 0.35 1.10 0.00 0.21 0.00 0.00 66.02 67.61 2gw6 s SER 81 CO 0.44 -0.46 1.91 1.12 0.41 0.00 0.00 173.24 176.66 2gw6 h HIS 82 N 2.43 0.00 -0.43 2.43 2.07 -2.00 0.44 115.15 120.09 2gw6 h HIS 82 Ca -0.20 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.19 2gw6 h HIS 82 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 2gw6 h HIS 82 CO 0.29 0.20 -0.25 -0.97 -3.07 0.00 0.00 177.93 174.13 2gw6 h ASN 83 N 0.00 0.92 0.49 3.10 -1.24 -1.99 -1.41 115.58 115.46 2gw6 h ASN 83 Ca -0.00 -0.36 -0.14 0.00 0.71 0.00 0.00 56.30 56.51 2gw6 h ASN 83 Cb 0.60 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2gw6 h ASN 83 CO 0.03 1.12 -0.63 -0.09 -1.29 0.00 0.00 177.43 176.57 2gw6 h ARG 84 N 0.77 0.13 -0.44 6.67 2.43 -1.64 -2.05 114.38 120.25 2gw6 h ARG 84 Ca 0.09 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2gw6 h ARG 84 Cb 0.81 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2gw6 h ARG 84 CO 0.07 0.72 0.14 0.82 -1.51 0.00 0.00 179.97 180.21 2gw6 h ILE 85 N 0.10 0.84 -0.95 1.20 2.04 0.12 0.67 117.51 121.52 2gw6 h ILE 85 Ca -0.01 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.85 2gw6 h ILE 85 Cb 1.13 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 2gw6 h ILE 85 CO 0.09 0.05 0.61 -0.09 0.00 0.00 0.00 178.15 178.82 2gw6 h ARG 86 N 0.30 0.94 -0.05 2.37 9.65 -0.76 0.43 114.38 127.26 2gw6 h ARG 86 Ca 0.21 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 2gw6 h ARG 86 Cb 0.21 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2gw6 h ARG 86 CO -0.22 0.62 -0.11 0.93 2.80 0.00 0.00 179.97 183.99 2gw6 h GLU 87 N 0.97 0.17 -0.42 0.20 5.08 -0.42 -2.55 114.58 117.62 2gw6 h GLU 87 Ca 0.45 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2gw6 h GLU 87 Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2gw6 h GLU 87 CO -0.21 0.70 0.15 0.82 -1.00 0.00 0.00 179.01 179.48 2gw6 h ILE 88 N -0.34 1.21 -0.59 3.13 2.04 0.80 -0.21 117.51 123.55 2gw6 h ILE 88 Ca 0.00 -0.67 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2gw6 h ILE 88 Cb 0.70 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 2gw6 h ILE 88 CO 0.02 0.24 -0.06 -0.07 0.00 0.00 0.00 178.15 178.29 2gw6 h LEU 89 N 0.54 -0.37 -0.56 1.44 3.38 -0.22 0.16 115.31 119.68 2gw6 h LEU 89 Ca 0.14 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 2gw6 h LEU 89 Cb 0.23 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2gw6 h LEU 89 CO -0.01 -0.14 0.07 0.50 0.09 0.00 0.00 178.44 178.95 2gw6 h LYS 90 N 0.07 0.94 0.73 1.13 1.63 -0.96 -1.58 116.57 118.53 2gw6 h LYS 90 Ca 0.30 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2gw6 h LYS 90 Cb 0.47 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2gw6 h LYS 90 CO -0.54 0.92 -0.35 0.00 -3.45 0.00 0.00 179.45 176.02 2gw6 h ALA 91 N 0.99 -0.98 -0.64 5.00 0.00 -0.38 -1.73 119.26 121.52 2gw6 h ALA 91 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2gw6 h ALA 91 Cb 0.45 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2gw6 h ALA 91 CO 0.02 -0.97 0.28 0.66 0.00 0.00 0.00 179.25 179.24 2gw6 h SER 92 N -1.13 0.86 0.35 0.00 4.64 -0.72 -2.10 113.55 115.45 2gw6 h SER 92 Ca -0.10 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2gw6 h SER 92 Cb 0.77 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2gw6 h SER 92 CO 0.16 0.77 -0.23 0.03 -0.87 0.00 0.00 176.83 176.70 2gw6 h ARG 93 N 0.89 0.00 -0.24 4.77 3.08 -1.33 0.99 114.38 122.54 2gw6 h ARG 93 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2gw6 h ARG 93 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2gw6 h ARG 93 CO -0.02 0.23 0.01 -0.22 -1.07 0.00 0.00 179.97 178.90 2gw6 h LYS 94 N 0.00 0.42 0.00 0.04 3.64 -0.64 -2.99 116.57 117.05 2gw6 h LYS 94 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2gw6 h LYS 94 Cb 0.46 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2gw6 h LYS 94 CO 0.03 0.59 0.00 -0.07 -2.27 0.00 0.00 179.45 177.73 2gw6 h LEU 95 N 0.21 0.00 -0.04 5.20 -0.00 -1.03 -3.10 115.31 116.56 2gw6 h LEU 95 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2gw6 h LEU 95 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2gw6 h LEU 95 CO 0.01 0.00 0.00 1.67 -0.00 0.00 0.00 178.44 180.12 2gw6 n GLN 96 N -2.46 0.20 0.00 1.13 -0.06 0.30 -4.93 117.38 111.55 2gw6 n GLN 96 Ca 0.05 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 2gw6 n GLN 96 Cb 0.44 -1.73 0.00 0.00 -4.06 0.00 0.00 30.24 24.89 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2gw6 n GLY 97 N 1.27 2.14 3.57 1.69 0.00 -1.17 -4.90 105.19 107.78 2gw6 n GLY 97 Ca 0.06 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 6.47 -0.06 1.61 -1.08 -1.26 -4.89 116.67 117.45 2gw6 s ASP 98 Ca 0.00 0.07 0.10 0.00 -0.52 0.00 0.00 52.55 52.20 2gw6 s ASP 98 Cb 0.00 -2.51 0.38 0.00 -1.46 0.00 0.00 42.92 39.33 2gw6 s ASP 98 CO 0.00 -1.31 1.22 -0.81 0.52 0.00 0.00 175.17 174.79 2gw6 n PRO 99 N 7.91 2.45 0.00 4.34 -0.04 -1.20 -3.98 135.00 144.47 2gw6 n PRO 99 Ca 0.07 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2gw6 n PRO 99 Cb 0.49 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.49 4.26 -4.72 3.54 2.03 -1.26 -4.86 116.55 116.02 2gw6 n ASP 100 Ca 0.14 -0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 2gw6 n ASP 100 Cb 0.53 0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 41.83 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2gw6 s LEU 101 N -2.72 4.38 -0.26 -2.67 2.96 -1.26 -4.92 118.68 114.19 2gw6 s LEU 101 Ca 0.00 2.49 -0.28 0.00 -0.22 0.00 0.00 54.13 56.11 2gw6 s LEU 101 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2gw6 s LEU 101 CO 0.00 -0.70 1.92 -2.84 -1.32 0.00 0.00 176.35 173.41 2gw6 s PRO 102 N 0.70 3.37 0.34 0.98 0.02 -1.26 -4.97 135.00 134.17 2gw6 s PRO 102 Ca 0.64 1.71 0.08 0.00 0.02 0.00 0.00 61.00 63.45 2gw6 s PRO 102 Cb -0.40 -4.23 -0.04 0.00 0.02 0.00 0.00 34.50 29.85 2gw6 s PRO 102 CO 0.34 -1.82 0.20 1.41 -0.33 0.00 0.00 177.00 176.79 2gw6 s MET 103 N 5.70 2.51 0.29 5.54 1.75 -1.26 -5.04 119.30 128.78 2gw6 s MET 103 Ca 0.86 -1.45 0.11 0.00 -1.25 0.00 0.00 55.69 53.97 2gw6 s MET 103 Cb -0.27 -2.29 -0.05 0.00 2.84 0.00 0.00 34.83 35.05 2gw6 s MET 103 CO 0.34 0.11 -0.18 -1.54 -0.65 0.00 0.00 175.02 173.10 2gw6 s SER 104 N -3.90 3.53 0.02 1.11 1.04 -1.26 -4.06 113.70 110.18 2gw6 s SER 104 Ca 0.39 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.77 2gw6 s SER 104 Cb -0.04 -0.30 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 2gw6 s SER 104 CO 0.24 -0.02 -0.05 0.72 0.98 0.00 0.00 173.24 175.11 2gw6 s PHE 105 N -2.56 0.47 -0.34 5.02 -0.12 -0.62 -4.77 117.98 115.06 2gw6 s PHE 105 Ca 0.30 -0.34 -0.15 0.00 -0.05 0.00 0.00 56.93 56.69 2gw6 s PHE 105 Cb -0.03 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 2gw6 s PHE 105 CO 0.15 -0.07 0.36 0.99 -0.05 0.00 0.00 175.22 176.59 2gw6 s THR 106 N -0.91 5.17 -0.08 -4.49 2.01 -0.90 -1.54 115.64 114.90 2gw6 s THR 106 Ca -0.07 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 2gw6 s THR 106 Cb -0.07 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2gw6 s THR 106 CO -0.00 -0.09 0.89 -0.76 -0.69 0.00 0.00 174.62 173.97 2gw6 s LEU 107 N 2.01 4.28 -0.53 4.42 1.43 -0.05 -2.03 118.68 128.22 2gw6 s LEU 107 Ca 0.12 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 2gw6 s LEU 107 Cb -0.17 -3.37 0.12 0.00 0.03 0.00 0.00 46.19 42.80 2gw6 s LEU 107 CO 0.12 -0.30 0.48 0.00 0.23 0.00 0.00 176.35 176.88 2gw6 s ALA 108 N 1.45 3.63 -0.28 4.21 0.00 -0.90 -1.06 121.76 128.81 2gw6 s ALA 108 Ca 0.45 -2.47 -0.16 0.00 0.00 0.00 0.00 51.96 49.77 2gw6 s ALA 108 Cb -0.19 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2gw6 s ALA 108 CO 0.20 -1.97 0.41 0.42 0.00 0.00 0.00 175.76 174.82 2gw6 s ILE 109 N 1.60 5.14 -0.08 0.00 1.01 0.55 -0.31 121.20 129.11 2gw6 s ILE 109 Ca 0.03 0.56 0.04 0.00 0.00 0.00 0.00 60.65 61.28 2gw6 s ILE 109 Cb -0.29 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2gw6 s ILE 109 CO 0.04 0.08 -0.21 0.68 0.00 0.00 0.00 174.94 175.52 2gw6 s VAL 110 N 2.15 2.37 0.46 2.92 -7.23 0.64 0.52 120.40 122.23 2gw6 s VAL 110 Ca 0.16 -0.93 0.24 0.00 -1.81 0.00 0.00 61.98 59.64 2gw6 s VAL 110 Cb -0.16 -1.91 0.27 0.00 0.56 0.00 0.00 36.38 35.15 2gw6 s VAL 110 CO 0.10 0.56 2.09 -0.08 -0.31 0.00 0.00 175.10 177.46 2gw6 h GLU 111 N 6.28 0.00 -3.75 4.82 4.81 -1.33 0.16 114.58 125.58 2gw6 h GLU 111 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2gw6 h GLU 111 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2gw6 h GLU 111 CO 0.49 0.11 -0.08 0.43 -0.73 0.00 0.00 179.01 179.23 2gw6 n SER 112 N -3.87 -3.91 0.00 1.04 7.64 -1.26 -4.68 113.62 108.58 2gw6 n SER 112 Ca -0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2gw6 n SER 112 Cb 0.21 -2.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.00 2gw6 n SER 112 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gw6 n ASP 113 N -0.83 0.00 0.00 6.43 2.03 -1.26 -4.99 116.55 117.93 2gw6 n ASP 113 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2gw6 n ASP 113 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2gw6 n ASP 113 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2gw6 n SER 114 N 0.00 0.00 -4.61 1.67 2.88 -1.26 -5.12 113.62 107.18 2gw6 n SER 114 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2gw6 n SER 114 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.15 3.47 -0.28 2.46 2.01 -1.26 -4.91 115.64 116.97 2gw6 s THR 115 Ca 0.00 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 2gw6 s THR 115 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2gw6 s THR 115 CO 0.00 -0.34 0.06 -0.63 -0.69 0.00 0.00 174.62 173.03 2gw6 s ILE 116 N 6.55 3.93 -0.28 1.82 1.01 -1.26 -0.87 121.20 132.10 2gw6 s ILE 116 Ca 0.80 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 2gw6 s ILE 116 Cb -0.25 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.28 2gw6 s ILE 116 CO 0.33 0.15 -0.01 -0.69 0.00 0.00 0.00 174.94 174.72 2gw6 s VAL 117 N 1.51 3.11 -0.34 2.92 1.01 0.18 -4.93 120.40 123.86 2gw6 s VAL 117 Ca 0.03 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 2gw6 s VAL 117 Cb -0.17 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2gw6 s VAL 117 CO 0.02 0.03 0.84 -0.31 0.00 0.00 0.00 175.10 175.68 2gw6 s TYR 118 N 1.32 3.15 -0.07 5.22 1.51 -1.26 -0.33 117.35 126.88 2gw6 s TYR 118 Ca -0.02 0.77 -0.00 0.00 -1.01 0.00 0.00 57.07 56.80 2gw6 s TYR 118 Cb -0.18 -3.40 0.02 0.00 -0.11 0.00 0.00 41.96 38.29 2gw6 s TYR 118 CO -0.02 -0.68 -0.04 -0.47 -1.11 0.00 0.00 175.55 173.23 2gw6 s TYR 119 N 3.16 0.93 0.69 2.71 5.04 -0.22 -4.98 117.35 124.67 2gw6 s TYR 119 Ca 0.34 -0.33 -0.07 0.00 -2.44 0.00 0.00 57.07 54.58 2gw6 s TYR 119 Cb -0.13 -0.87 0.05 0.00 0.35 0.00 0.00 41.96 41.36 2gw6 s TYR 119 CO 0.15 -0.33 1.00 0.15 -1.34 0.00 0.00 175.55 175.19 2gw6 s LYS 120 N 1.51 2.29 -0.10 4.97 1.02 -1.26 -0.87 119.74 127.31 2gw6 s LYS 120 Ca -0.01 -0.22 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 2gw6 s LYS 120 Cb -0.13 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2gw6 s LYS 120 CO -0.04 -1.17 0.26 -1.17 -0.92 0.00 0.00 175.35 172.31 2gw6 s LEU 121 N -5.21 0.81 0.13 3.17 0.20 -0.59 -4.86 118.68 112.33 2gw6 s LEU 121 Ca 0.59 0.53 0.04 0.00 0.69 0.00 0.00 54.13 55.99 2gw6 s LEU 121 Cb -0.11 0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 46.47 2gw6 s LEU 121 CO 0.45 -0.11 -0.10 0.28 -0.29 0.00 0.00 176.35 176.57 2gw6 s THR 122 N 0.49 1.08 0.00 3.68 -1.32 -1.26 -1.59 115.64 116.73 2gw6 s THR 122 Ca -0.03 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 58.57 2gw6 s THR 122 Cb -0.04 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2gw6 s THR 122 CO -0.03 -0.66 0.00 -0.67 -2.21 0.00 0.00 174.62 171.05