#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 2.65 -0.90 1.43 1.02 -1.26 -4.30 120.64 119.28 2gw6 n GLU 2 Ca 0.00 -2.28 0.05 0.00 -0.02 0.00 0.00 57.16 54.90 2gw6 n GLU 2 Cb 0.00 -1.42 0.09 0.00 -0.02 0.00 0.00 31.44 30.09 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2gw6 n ASP 3 N 1.10 1.19 -1.95 1.62 5.75 -1.26 -4.80 116.55 118.20 2gw6 n ASP 3 Ca 0.18 -2.68 -0.05 0.00 -0.01 0.00 0.00 54.79 52.23 2gw6 n ASP 3 Cb 0.52 -0.36 0.30 0.00 -1.03 0.00 0.00 41.12 40.55 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 -0.28 4.44 -0.02 2.12 0.00 -1.26 -1.41 120.51 124.10 2gw6 n ALA 4 Ca 0.10 -2.16 -0.02 0.00 0.00 0.00 0.00 53.44 51.36 2gw6 n ALA 4 Cb 0.88 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.05 0.09 0.41 0.00 7.02 -1.26 -4.56 117.44 119.10 2gw6 n TRP 5 Ca 0.38 0.04 0.12 0.00 -1.02 0.00 0.00 57.50 57.02 2gw6 n TRP 5 Cb 1.33 -0.22 0.19 0.00 -2.42 0.00 0.00 31.31 30.18 2gw6 n TRP 5 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 2gw6 h MET 6 N -0.24 0.00 0.00 -0.99 2.86 -1.99 -3.47 114.93 111.11 2gw6 h MET 6 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2gw6 h MET 6 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2gw6 h MET 6 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2gw6 n GLY 7 N 1.25 3.60 0.00 8.32 0.00 -1.24 -4.99 105.19 112.13 2gw6 n GLY 7 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2gw6 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gw6 n THR 8 N 0.00 0.00 -4.66 2.61 5.66 -0.50 -4.14 114.28 113.24 2gw6 n THR 8 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 2gw6 n THR 8 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 2gw6 n THR 8 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2gw6 s HIS 9 N 0.00 1.63 0.27 1.09 3.76 -1.26 -4.71 115.29 116.07 2gw6 s HIS 9 Ca 0.00 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2gw6 s HIS 9 Cb 0.00 -1.17 0.56 0.00 1.11 0.00 0.00 32.58 33.08 2gw6 s HIS 9 CO 0.00 -0.30 1.76 -1.35 -0.85 0.00 0.00 174.74 174.00 2gw6 h PRO 10 N 6.96 0.63 -0.31 8.40 0.11 -1.99 0.22 132.00 146.02 2gw6 h PRO 10 Ca -0.29 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 2gw6 h PRO 10 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2gw6 h PRO 10 CO 0.47 0.41 -0.29 1.57 -0.21 0.00 0.00 178.00 179.96 2gw6 h LYS 11 N 0.65 0.64 -0.08 1.05 -0.00 -1.98 0.46 116.57 117.30 2gw6 h LYS 11 Ca 0.48 -0.28 -0.03 0.00 -0.00 0.00 0.00 60.65 60.82 2gw6 h LYS 11 Cb 0.69 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 32.90 2gw6 h LYS 11 CO -0.37 0.86 -0.08 -0.92 -0.00 0.00 0.00 179.45 178.95 2gw6 h TYR 12 N 0.55 0.23 -0.25 0.07 3.20 -1.52 -2.32 116.97 116.94 2gw6 h TYR 12 Ca 0.07 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2gw6 h TYR 12 Cb 0.78 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2gw6 h TYR 12 CO 0.03 0.62 -0.03 1.25 -1.64 0.00 0.00 178.16 178.40 2gw6 h LEU 13 N -0.23 -0.16 -1.18 2.82 5.85 -0.55 0.33 115.31 122.19 2gw6 h LEU 13 Ca 0.01 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.96 2gw6 h LEU 13 Cb 0.58 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 2gw6 h LEU 13 CO 0.02 -0.05 0.60 -0.08 -0.34 0.00 0.00 178.44 178.59 2gw6 h GLU 14 N 0.04 0.70 -0.02 1.25 4.81 -0.89 0.14 114.58 120.62 2gw6 h GLU 14 Ca 0.12 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2gw6 h GLU 14 Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2gw6 h GLU 14 CO -0.23 0.46 -0.79 1.98 -0.73 0.00 0.00 179.01 179.70 2gw6 h MET 15 N 0.72 0.22 -0.34 1.92 4.05 -0.75 -3.13 114.93 117.63 2gw6 h MET 15 Ca 0.50 -0.21 -0.13 0.00 -0.28 0.00 0.00 59.70 59.58 2gw6 h MET 15 Cb 0.82 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2gw6 h MET 15 CO -0.27 0.91 -0.33 0.52 0.23 0.00 0.00 176.91 177.97 2gw6 h MET 16 N 0.14 0.76 0.00 0.39 2.86 0.89 -3.00 114.93 116.97 2gw6 h MET 16 Ca -0.03 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2gw6 h MET 16 Cb 1.39 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2gw6 h MET 16 CO 0.12 0.98 0.00 -1.91 1.06 0.00 0.00 176.91 177.16 2gw6 n GLU 17 N -4.07 0.10 -0.21 1.72 2.13 0.32 -4.16 120.64 116.47 2gw6 n GLU 17 Ca -0.01 0.27 -0.25 0.00 0.66 0.00 0.00 57.16 57.83 2gw6 n GLU 17 Cb 0.49 -1.67 0.24 0.00 0.27 0.00 0.00 31.44 30.77 2gw6 n GLU 17 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2gw6 n LEU 18 N -1.85 0.00 -4.69 4.31 4.77 -1.13 -4.98 117.00 113.43 2gw6 n LEU 18 Ca 0.04 -0.72 -0.31 0.00 -0.03 0.00 0.00 56.01 54.98 2gw6 n LEU 18 Cb 0.24 -0.81 0.15 0.00 -2.33 0.00 0.00 43.42 40.68 2gw6 n LEU 18 CO 0.20 -2.56 0.69 -1.81 -1.33 0.00 0.00 177.39 172.58 2gw6 s ASP 19 N -2.94 3.21 0.00 -1.43 1.11 -1.26 -3.99 116.67 111.36 2gw6 s ASP 19 Ca 0.54 2.16 0.00 0.00 0.18 0.00 0.00 52.55 55.44 2gw6 s ASP 19 Cb -0.09 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2gw6 s ASP 19 CO 0.45 -2.91 0.00 2.30 1.18 0.00 0.00 175.17 176.19 2gw6 n ILE 20 N -4.03 0.00 -2.31 0.77 -0.00 -1.26 -4.67 119.36 107.87 2gw6 n ILE 20 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.85 2gw6 n ILE 20 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.17 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 3.60 3.28 0.00 -1.26 -4.99 105.19 105.23 2gw6 n GLY 21 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 6.58 0.38 1.61 2.15 -1.26 -4.95 116.67 118.50 2gw6 s ASP 22 Ca 0.06 0.51 0.19 0.00 0.43 0.00 0.00 52.55 53.74 2gw6 s ASP 22 Cb -0.01 -2.38 1.16 0.00 -0.30 0.00 0.00 42.92 41.39 2gw6 s ASP 22 CO 0.37 -0.60 1.69 0.00 -0.17 0.00 0.00 175.17 176.46 2gw6 h ALA 23 N 8.23 2.22 -0.00 3.66 0.00 -1.97 0.72 119.26 132.11 2gw6 h ALA 23 Ca -0.25 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2gw6 h ALA 23 Cb 1.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gw6 h ALA 23 CO 0.87 -0.76 -0.05 1.15 0.00 0.00 0.00 179.25 180.45 2gw6 h THR 24 N 0.31 1.59 0.00 0.00 2.02 -1.99 -2.63 112.91 112.21 2gw6 h THR 24 Ca 0.71 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2gw6 h THR 24 Cb 1.81 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 71.01 2gw6 h THR 24 CO -0.45 0.48 -0.00 1.56 0.37 0.00 0.00 175.52 177.47 2gw6 h GLN 25 N -0.70 -0.00 -0.68 6.66 1.08 -1.50 -1.60 115.11 118.37 2gw6 h GLN 25 Ca -0.01 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2gw6 h GLN 25 Cb 0.81 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.20 2gw6 h GLN 25 CO 0.01 0.06 0.45 -0.39 -0.95 0.00 0.00 178.83 178.01 2gw6 h VAL 26 N -0.06 1.12 -0.10 -0.54 -1.51 0.26 0.49 116.25 115.90 2gw6 h VAL 26 Ca -0.00 -0.29 -0.05 0.00 -1.23 0.00 0.00 66.70 65.13 2gw6 h VAL 26 Cb 0.06 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 29.42 2gw6 h VAL 26 CO 0.00 0.15 -0.12 0.22 -1.23 0.00 0.00 177.57 176.59 2gw6 h TYR 27 N 0.84 0.32 -0.22 5.19 3.20 -1.23 -1.16 116.97 123.92 2gw6 h TYR 27 Ca 0.27 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 2gw6 h TYR 27 Cb 0.03 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2gw6 h TYR 27 CO -0.00 0.71 -0.47 0.28 -1.64 0.00 0.00 178.16 177.04 2gw6 h VAL 28 N -0.15 1.31 -0.54 1.81 2.07 -0.87 -2.32 116.25 117.55 2gw6 h VAL 28 Ca 0.01 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 2gw6 h VAL 28 Cb 0.66 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2gw6 h VAL 28 CO 0.03 0.53 0.09 0.00 0.02 0.00 0.00 177.57 178.24 2gw6 h ALA 29 N 0.61 1.14 -0.31 1.67 0.00 -0.11 -2.24 119.26 120.02 2gw6 h ALA 29 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2gw6 h ALA 29 Cb 1.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2gw6 h ALA 29 CO 0.10 0.57 0.14 0.35 0.00 0.00 0.00 179.25 180.41 2gw6 h PHE 30 N 0.81 0.25 -0.12 0.00 3.57 -1.05 0.36 116.94 120.77 2gw6 h PHE 30 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2gw6 h PHE 30 Cb 0.36 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2gw6 h PHE 30 CO 0.02 0.13 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.09 2gw6 h LEU 31 N 0.29 -0.23 -0.14 0.59 3.38 -1.01 -0.95 115.31 117.24 2gw6 h LEU 31 Ca 0.13 0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 2gw6 h LEU 31 Cb 0.07 0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2gw6 h LEU 31 CO -0.11 -0.10 -0.96 -0.37 0.09 0.00 0.00 178.44 176.99 2gw6 h VAL 32 N -0.07 1.37 -0.35 1.22 -1.51 -1.19 -2.11 116.25 113.60 2gw6 h VAL 32 Ca 0.07 -2.39 0.07 0.00 -1.23 0.00 0.00 66.70 63.22 2gw6 h VAL 32 Cb 0.18 2.40 -0.06 0.00 -2.13 0.00 0.00 31.29 31.67 2gw6 h VAL 32 CO -0.16 0.72 -0.05 0.22 -1.23 0.00 0.00 177.57 177.07 2gw6 h TYR 33 N 0.27 -0.11 0.00 5.19 3.20 -0.09 0.26 116.97 125.69 2gw6 h TYR 33 Ca -0.09 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2gw6 h TYR 33 Cb 1.60 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 2gw6 h TYR 33 CO 0.07 -0.11 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.04 2gw6 h LEU 34 N 0.04 0.00 0.09 2.82 4.07 -1.16 0.07 115.31 121.25 2gw6 h LEU 34 Ca 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 2gw6 h LEU 34 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2gw6 h LEU 34 CO -0.33 0.36 -0.05 -0.78 -1.08 0.00 0.00 178.44 176.57 2gw6 h ASP 35 N 0.00 -0.11 -0.29 -0.43 1.82 -0.53 -0.68 116.42 116.21 2gw6 h ASP 35 Ca -0.00 -0.35 0.05 0.00 -0.39 0.00 0.00 57.03 56.34 2gw6 h ASP 35 Cb 0.71 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 2gw6 h ASP 35 CO 0.05 0.31 0.01 -0.07 -1.61 0.00 0.00 179.24 177.93 2gw6 h LEU 36 N -0.54 -0.09 0.64 2.28 3.38 -0.45 0.23 115.31 120.75 2gw6 h LEU 36 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2gw6 h LEU 36 Cb 0.45 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2gw6 h LEU 36 CO 0.02 -0.01 -0.35 -0.03 0.09 0.00 0.00 178.44 178.16 2gw6 h MET 37 N 0.10 -0.88 0.00 1.13 4.05 -0.88 0.91 114.93 119.36 2gw6 h MET 37 Ca 0.14 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2gw6 h MET 37 Cb 0.17 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2gw6 h MET 37 CO -0.22 -0.59 -0.70 -0.85 0.23 0.00 0.00 176.91 174.78 2gw6 n GLU 38 N -5.49 2.16 -0.03 0.39 0.28 -0.27 -3.78 120.64 113.90 2gw6 n GLU 38 Ca -0.13 -0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.80 2gw6 n GLU 38 Cb 0.38 -1.19 -0.02 0.00 1.43 0.00 0.00 31.44 32.04 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2gw6 n SER 39 N -1.36 1.38 0.00 -1.84 2.88 0.52 -4.49 113.62 110.72 2gw6 n SER 39 Ca 0.03 0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.89 2gw6 n SER 39 Cb 0.23 -0.50 0.47 0.00 -0.75 0.00 0.00 64.21 63.67 2gw6 n SER 39 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2gw6 n LYS 40 N -3.87 0.03 -3.73 -1.46 3.00 0.42 -4.92 118.16 107.63 2gw6 n LYS 40 Ca -0.11 0.12 -0.24 0.00 -0.00 0.00 0.00 58.31 58.08 2gw6 n LYS 40 Cb 0.33 -1.50 0.03 0.00 0.00 0.00 0.00 35.03 33.89 2gw6 n LYS 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2gw6 n SER 41 N -1.48 -2.38 -4.77 3.14 7.64 -0.22 -4.96 113.62 110.58 2gw6 n SER 41 Ca 0.06 -0.91 -0.37 0.00 1.01 0.00 0.00 58.87 58.66 2gw6 n SER 41 Cb 0.25 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 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 -3.67 2.73 0.25 1.43 0.52 0.15 -4.94 118.94 115.40 2gw6 s TRP 42 Ca 0.15 1.52 0.03 0.00 0.02 0.00 0.00 56.10 57.82 2gw6 s TRP 42 Cb -0.05 -3.42 0.31 0.00 -1.15 0.00 0.00 33.47 29.16 2gw6 s TRP 42 CO 0.84 -1.73 1.62 1.25 0.02 0.00 0.00 176.95 178.95 2gw6 h HIS 43 N 1.71 0.46 -1.99 -1.98 -0.00 -1.16 -3.45 115.15 108.73 2gw6 h HIS 43 Ca -0.50 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 59.75 2gw6 h HIS 43 Cb 1.26 -0.10 -0.21 0.00 -0.00 0.00 0.00 27.41 28.36 2gw6 h HIS 43 CO 0.51 0.77 0.05 -2.00 -0.00 0.00 0.00 177.93 177.26 2gw6 s GLU 44 N -4.10 0.72 -0.08 5.26 2.56 0.22 -4.94 118.70 118.35 2gw6 s GLU 44 Ca -0.06 1.17 -0.01 0.00 0.00 0.00 0.00 54.97 56.07 2gw6 s GLU 44 Cb 0.13 0.19 0.03 0.00 2.00 0.00 0.00 34.13 36.47 2gw6 s GLU 44 CO 0.80 -0.14 -0.01 0.08 -0.56 0.00 0.00 175.26 175.43 2gw6 s VAL 45 N 1.41 0.45 0.08 3.70 1.01 -1.26 -0.41 120.40 125.38 2gw6 s VAL 45 Ca -0.08 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2gw6 s VAL 45 Cb -0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2gw6 s VAL 45 CO -0.16 0.27 -0.04 0.20 0.00 0.00 0.00 175.10 175.36 2gw6 s ASN 46 N 1.94 4.75 -0.23 3.32 0.01 -0.82 -4.92 114.94 118.99 2gw6 s ASN 46 Ca 0.05 -0.25 -0.05 0.00 -0.71 0.00 0.00 52.86 51.90 2gw6 s ASN 46 Cb -0.12 -1.05 -0.02 0.00 0.41 0.00 0.00 41.25 40.47 2gw6 s ASN 46 CO -0.06 0.19 -0.00 0.00 -1.51 0.00 0.00 177.10 175.72 2gw6 s VAL 48 N 1.47 1.75 -0.25 0.00 1.01 0.68 -4.96 120.40 120.10 2gw6 s VAL 48 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2gw6 s VAL 48 Cb -0.15 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2gw6 s VAL 48 CO -0.00 0.49 0.15 -0.83 0.00 0.00 0.00 175.10 174.91 2gw6 s GLY 49 N 0.48 1.94 -0.40 4.51 0.00 -1.26 -0.29 107.32 112.31 2gw6 s GLY 49 Ca -0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 2gw6 s GLY 49 CO 0.07 0.46 0.20 1.08 0.00 0.00 0.00 173.10 174.90 2gw6 s LEU 50 N 1.26 5.07 0.52 0.66 1.43 0.76 -4.50 118.68 123.89 2gw6 s LEU 50 Ca 0.07 -1.79 0.31 0.00 -1.03 0.00 0.00 54.13 51.68 2gw6 s LEU 50 Cb -0.14 -1.86 1.18 0.00 0.03 0.00 0.00 46.19 45.39 2gw6 s LEU 50 CO 0.06 -0.52 1.92 1.55 0.23 0.00 0.00 176.35 179.59 2gw6 h PRO 51 N 8.16 0.00 0.00 1.29 0.13 -1.89 0.59 132.00 140.27 2gw6 h PRO 51 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.75 2gw6 h PRO 51 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2gw6 h PRO 51 CO 0.70 0.04 -1.12 1.05 -0.23 0.00 0.00 178.00 178.43 2gw6 h GLU 52 N 0.00 0.00 0.00 0.86 -0.00 -1.95 -3.23 114.58 110.26 2gw6 h GLU 52 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2gw6 h GLU 52 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 2gw6 h GLU 52 CO 0.00 0.77 -0.87 1.28 -0.00 0.00 0.00 179.01 180.20 2gw6 n LEU 53 N -3.23 0.63 -2.79 3.06 4.32 -1.15 -4.97 117.00 112.86 2gw6 n LEU 53 Ca -0.04 0.03 -0.22 0.00 -0.02 0.00 0.00 56.01 55.76 2gw6 n LEU 53 Cb 0.93 -0.13 0.02 0.00 -1.62 0.00 0.00 43.42 42.62 2gw6 n LEU 53 CO 0.45 0.03 -0.10 0.00 -1.22 0.00 0.00 177.39 176.56 2gw6 n GLN 54 N -1.93 -3.71 -4.45 3.23 6.02 0.20 -4.98 117.38 111.75 2gw6 n GLN 54 Ca 0.03 0.94 -0.25 0.00 -0.01 0.00 0.00 57.00 57.71 2gw6 n GLN 54 Cb 0.42 -5.74 -0.10 0.00 1.02 0.00 0.00 30.24 25.84 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2gw6 s LEU 55 N -6.45 2.56 -0.08 1.08 0.05 -0.73 -4.93 118.68 110.18 2gw6 s LEU 55 Ca 0.19 -0.97 0.00 0.00 0.05 0.00 0.00 54.13 53.40 2gw6 s LEU 55 Cb -0.09 -1.14 -0.03 0.00 -2.05 0.00 0.00 46.19 42.89 2gw6 s LEU 55 CO 0.24 0.06 -0.07 -0.63 -0.55 0.00 0.00 176.35 175.40 2gw6 s ILE 56 N -2.26 3.63 0.01 1.48 1.09 -1.26 -0.17 121.20 123.73 2gw6 s ILE 56 Ca 0.27 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 2gw6 s ILE 56 Cb -0.06 -2.50 -0.01 0.00 -1.06 0.00 0.00 42.46 38.83 2gw6 s ILE 56 CO 0.14 0.58 -0.03 0.00 -0.10 0.00 0.00 174.94 175.53 2gw6 s LEU 58 N -0.88 3.29 -0.10 0.00 2.01 -0.23 -0.23 118.68 122.54 2gw6 s LEU 58 Ca -0.09 -0.35 -0.00 0.00 0.01 0.00 0.00 54.13 53.70 2gw6 s LEU 58 Cb -0.06 -1.84 0.02 0.00 0.01 0.00 0.00 46.19 44.32 2gw6 s LEU 58 CO -0.00 -0.05 -0.07 -0.69 1.01 0.00 0.00 176.35 176.54 2gw6 s VAL 59 N 1.54 0.93 0.00 -1.59 1.01 -0.78 -0.48 120.40 121.03 2gw6 s VAL 59 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2gw6 s VAL 59 Cb -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2gw6 s VAL 59 CO 0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2gw6 n GLY 60 N 4.74 3.81 3.21 4.51 0.00 -1.25 -1.94 105.19 118.27 2gw6 n GLY 60 Ca -0.14 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.06 2.98 0.15 2.61 -4.23 0.45 -4.60 115.64 110.94 2gw6 s THR 61 Ca 0.00 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 2gw6 s THR 61 Cb 0.00 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 2gw6 s THR 61 CO 0.00 0.18 1.55 -0.08 -0.54 0.00 0.00 174.62 175.73 2gw6 h GLU 62 N 8.03 0.92 -4.51 3.99 4.22 -1.93 0.73 114.58 126.03 2gw6 h GLU 62 Ca -0.32 -0.37 -0.55 0.00 0.08 0.00 0.00 59.36 58.20 2gw6 h GLU 62 Cb 1.11 -0.04 -0.35 0.00 0.50 0.00 0.00 28.75 29.97 2gw6 h GLU 62 CO 0.57 1.03 -0.82 0.42 -2.18 0.00 0.00 179.01 178.04 2gw6 s ILE 63 N -4.74 1.24 0.39 2.32 -1.09 -1.26 -2.49 121.20 115.57 2gw6 s ILE 63 Ca -0.12 -0.48 -0.26 0.00 -2.23 0.00 0.00 60.65 57.56 2gw6 s ILE 63 Cb 0.12 -1.17 -0.11 0.00 -1.58 0.00 0.00 42.46 39.72 2gw6 s ILE 63 CO 0.85 0.39 1.27 -1.84 -1.23 0.00 0.00 174.94 174.39 2gw6 n GLU 64 N 4.35 2.00 0.00 2.79 0.28 -1.26 -1.41 120.64 127.39 2gw6 n GLU 64 Ca -0.18 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 2gw6 n GLU 64 Cb 0.51 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 31.02 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 0.80 2.42 0.00 -1.84 0.00 -1.26 -5.05 105.19 100.26 2gw6 n GLY 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.13 0.34 0.00 1.61 1.02 -0.50 -5.04 120.64 117.95 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 0.00 0.00 0.62 0.00 -1.26 -4.89 105.19 104.66 2gw6 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gw6 n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gw6 n LEU 68 N 0.00 0.00 -4.59 0.99 -0.00 -1.26 -5.02 117.00 107.12 2gw6 n LEU 68 Ca 0.00 -0.06 -0.40 0.00 -0.00 0.00 0.00 56.01 55.55 2gw6 n LEU 68 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2gw6 n LEU 68 CO 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 177.39 177.47 2gw6 s GLN 69 N -0.61 3.90 -0.08 1.96 0.00 -1.26 -4.48 119.66 119.08 2gw6 s GLN 69 Ca 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 55.36 55.33 2gw6 s GLN 69 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 33.01 29.29 2gw6 s GLN 69 CO 0.00 -0.36 -0.15 0.99 0.00 0.00 0.00 175.29 175.77 2gw6 s THR 70 N 2.11 2.97 -0.05 3.63 2.01 -1.26 -3.94 115.64 121.11 2gw6 s THR 70 Ca 0.15 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.45 2gw6 s THR 70 Cb -0.16 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.17 2gw6 s THR 70 CO 0.11 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.79 2gw6 s VAL 71 N -0.28 1.09 -0.03 3.82 1.01 0.37 -0.01 120.40 126.37 2gw6 s VAL 71 Ca 0.02 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2gw6 s VAL 71 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2gw6 s VAL 71 CO 0.03 0.33 -0.23 0.68 0.00 0.00 0.00 175.10 175.91 2gw6 s VAL 72 N 0.36 1.86 -0.00 2.92 -7.23 -0.86 -1.07 120.40 116.38 2gw6 s VAL 72 Ca -0.08 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.80 2gw6 s VAL 72 Cb -0.12 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.19 2gw6 s VAL 72 CO 0.02 0.52 1.74 -2.16 -0.31 0.00 0.00 175.10 174.91 2gw6 s PRO 73 N -0.40 4.17 -0.23 4.82 0.04 -1.26 -1.10 135.00 141.05 2gw6 s PRO 73 Ca 0.05 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 2gw6 s PRO 73 Cb -0.10 -3.95 0.07 0.00 0.04 0.00 0.00 34.50 30.55 2gw6 s PRO 73 CO 0.01 -0.85 0.02 0.99 0.04 0.00 0.00 177.00 177.20 2gw6 s THR 74 N 3.85 0.90 0.49 1.26 2.01 0.11 -4.90 115.64 119.34 2gw6 s THR 74 Ca 0.77 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2gw6 s THR 74 Cb -0.37 -1.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 2gw6 s THR 74 CO 0.33 -0.26 0.94 -2.16 -0.69 0.00 0.00 174.62 172.78 2gw6 s PRO 75 N 1.67 3.92 0.00 4.92 0.04 -1.26 -1.00 135.00 143.29 2gw6 s PRO 75 Ca -0.01 0.86 0.20 0.00 0.04 0.00 0.00 61.00 62.09 2gw6 s PRO 75 Cb -0.18 -2.19 0.88 0.00 0.04 0.00 0.00 34.50 33.06 2gw6 s PRO 75 CO -0.10 -0.21 1.65 -0.89 0.04 0.00 0.00 177.00 177.49 2gw6 n ILE 76 N -1.48 0.58 1.54 0.56 -0.00 -1.08 -2.08 119.36 117.40 2gw6 n ILE 76 Ca 0.06 0.14 0.14 0.00 -0.00 0.00 0.00 62.75 63.09 2gw6 n ILE 76 Cb 0.54 -0.79 0.58 0.00 -0.00 0.00 0.00 39.64 39.97 2gw6 n ILE 76 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2gw6 n THR 77 N -1.48 0.00 -3.96 1.39 -2.24 -1.26 -4.84 114.28 101.89 2gw6 n THR 77 Ca 0.05 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 2gw6 n THR 77 Cb 0.23 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gw6 s ALA 78 N -2.10 3.75 -0.04 6.98 0.00 -0.88 -5.11 121.76 124.36 2gw6 s ALA 78 Ca 0.37 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.93 2gw6 s ALA 78 Cb 0.21 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 2gw6 s ALA 78 CO 0.38 0.16 -0.23 -1.54 0.00 0.00 0.00 175.76 174.52 2gw6 s SER 79 N -3.93 3.24 0.62 0.00 1.04 -1.26 -4.96 113.70 108.45 2gw6 s SER 79 Ca 0.36 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2gw6 s SER 79 Cb -0.08 -0.59 0.07 0.00 0.10 0.00 0.00 66.02 65.52 2gw6 s SER 79 CO 0.26 0.30 0.86 -0.22 0.98 0.00 0.00 173.24 175.43 2gw6 s LEU 80 N -0.49 3.14 -0.19 2.42 2.96 -1.26 -5.06 118.68 120.20 2gw6 s LEU 80 Ca 0.06 -0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 2gw6 s LEU 80 Cb -0.11 -2.56 0.13 0.00 0.50 0.00 0.00 46.19 44.15 2gw6 s LEU 80 CO 0.01 -1.42 1.01 -0.94 -1.32 0.00 0.00 176.35 173.68 2gw6 s SER 81 N -4.54 -0.38 0.52 3.68 1.04 -1.26 -4.98 113.70 107.78 2gw6 s SER 81 Ca 0.61 0.50 0.34 0.00 0.48 0.00 0.00 55.95 57.88 2gw6 s SER 81 Cb -0.09 0.43 1.85 0.00 0.10 0.00 0.00 66.02 68.31 2gw6 s SER 81 CO 0.41 -0.30 2.04 1.12 0.98 0.00 0.00 173.24 177.49 2gw6 h HIS 82 N 2.93 0.00 -0.17 5.02 2.07 -1.99 0.17 115.15 123.18 2gw6 h HIS 82 Ca -0.21 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.30 2gw6 h HIS 82 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 2gw6 h HIS 82 CO 0.30 0.00 0.03 -0.97 -3.07 0.00 0.00 177.93 174.22 2gw6 h ASN 83 N 0.00 0.26 -0.37 3.10 -1.24 -1.99 -1.88 115.58 113.46 2gw6 h ASN 83 Ca 0.00 -0.24 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 2gw6 h ASN 83 Cb 0.06 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2gw6 h ASN 83 CO 0.00 0.44 0.13 -0.09 -1.29 0.00 0.00 177.43 176.61 2gw6 h ARG 84 N 0.07 0.64 -0.25 6.67 2.43 -1.35 0.05 114.38 122.64 2gw6 h ARG 84 Ca 0.05 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2gw6 h ARG 84 Cb 0.28 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 2gw6 h ARG 84 CO 0.00 0.56 -0.14 0.82 -1.51 0.00 0.00 179.97 179.71 2gw6 h ILE 85 N 0.63 0.59 0.00 1.20 5.03 -1.15 0.51 117.51 124.31 2gw6 h ILE 85 Ca 0.15 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.86 2gw6 h ILE 85 Cb 0.20 0.59 -0.00 0.00 -3.03 0.00 0.00 36.82 34.57 2gw6 h ILE 85 CO -0.01 0.00 -0.14 0.03 -0.68 0.00 0.00 178.15 177.36 2gw6 h ARG 86 N -0.11 0.00 -0.01 2.37 2.47 -0.41 0.42 114.38 119.11 2gw6 h ARG 86 Ca 0.14 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 2gw6 h ARG 86 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2gw6 h ARG 86 CO -0.32 0.14 -0.21 0.93 0.56 0.00 0.00 179.97 181.07 2gw6 h GLU 87 N 0.00 0.16 -0.24 0.04 5.08 0.33 -2.56 114.58 117.39 2gw6 h GLU 87 Ca -0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2gw6 h GLU 87 Cb 0.24 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2gw6 h GLU 87 CO 0.02 0.87 0.04 0.82 -1.00 0.00 0.00 179.01 179.75 2gw6 h ILE 88 N -0.48 1.23 -0.13 3.13 2.04 0.23 0.60 117.51 124.13 2gw6 h ILE 88 Ca -0.02 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2gw6 h ILE 88 Cb 0.93 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2gw6 h ILE 88 CO 0.04 0.25 -0.45 -0.07 0.00 0.00 0.00 178.15 177.92 2gw6 h LEU 89 N 0.21 -1.42 -0.84 1.44 3.38 -1.02 0.10 115.31 117.17 2gw6 h LEU 89 Ca 0.07 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.31 2gw6 h LEU 89 Cb 0.33 0.57 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2gw6 h LEU 89 CO 0.01 -0.44 0.49 0.50 0.09 0.00 0.00 178.44 179.08 2gw6 h LYS 90 N -0.52 0.82 0.60 1.13 3.64 -1.26 0.88 116.57 121.86 2gw6 h LYS 90 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2gw6 h LYS 90 Cb 0.64 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2gw6 h LYS 90 CO -0.41 0.54 -0.35 0.00 -2.27 0.00 0.00 179.45 176.96 2gw6 h ALA 91 N 1.44 -0.90 -0.38 5.00 0.00 -0.24 -0.36 119.26 123.83 2gw6 h ALA 91 Ca 0.39 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2gw6 h ALA 91 Cb 0.31 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2gw6 h ALA 91 CO -0.23 -1.02 -0.35 0.66 0.00 0.00 0.00 179.25 178.32 2gw6 h SER 92 N -0.89 0.91 0.71 0.00 4.64 -0.35 -1.45 113.55 117.12 2gw6 h SER 92 Ca -0.07 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2gw6 h SER 92 Cb 0.71 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2gw6 h SER 92 CO 0.09 1.16 0.00 0.08 -0.87 0.00 0.00 176.83 177.29 2gw6 h ARG 93 N 0.72 0.00 -0.24 4.77 0.11 -0.83 0.24 114.38 119.16 2gw6 h ARG 93 Ca 0.07 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.98 2gw6 h ARG 93 Cb 0.91 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.99 2gw6 h ARG 93 CO 0.08 0.00 -0.55 -0.22 0.10 0.00 0.00 179.97 179.39 2gw6 h LYS 94 N 0.00 0.71 0.00 0.08 3.11 0.02 -1.19 116.57 119.30 2gw6 h LYS 94 Ca 0.00 -0.45 -0.18 0.00 -2.81 0.00 0.00 60.65 57.21 2gw6 h LYS 94 Cb 0.35 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2gw6 h LYS 94 CO 0.00 1.07 -0.85 -0.07 -2.81 0.00 0.00 179.45 176.78 2gw6 h LEU 95 N 0.54 0.10 -0.74 5.20 -0.00 -0.74 -3.05 115.31 116.62 2gw6 h LEU 95 Ca 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2gw6 h LEU 95 Cb 1.12 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2gw6 h LEU 95 CO 0.11 0.91 0.00 0.00 -0.00 0.00 0.00 178.44 179.46 2gw6 n GLN 96 N -3.59 1.50 0.00 1.13 3.00 -0.07 -4.99 117.38 114.36 2gw6 n GLN 96 Ca -0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2gw6 n GLN 96 Cb 0.80 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.62 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 1.08 2.06 3.63 1.08 0.00 -0.46 -4.96 105.19 107.62 2gw6 n GLY 97 Ca 0.18 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.80 6.36 -0.04 1.61 1.11 -1.23 -4.65 116.67 118.03 2gw6 s ASP 98 Ca 0.00 1.52 0.02 0.00 0.18 0.00 0.00 52.55 54.27 2gw6 s ASP 98 Cb 0.00 -2.53 0.14 0.00 1.07 0.00 0.00 42.92 41.59 2gw6 s ASP 98 CO 0.00 -1.29 0.74 -0.81 1.18 0.00 0.00 175.17 174.99 2gw6 n PRO 99 N 7.71 1.64 0.00 8.23 -0.04 -1.26 -3.49 135.00 147.79 2gw6 n PRO 99 Ca 0.19 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 2gw6 n PRO 99 Cb 0.46 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2gw6 n PRO 99 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2gw6 n ASP 100 N 0.11 0.21 -4.75 3.54 5.75 -1.26 -5.02 116.55 115.14 2gw6 n ASP 100 Ca 0.05 -0.60 -0.41 0.00 -0.01 0.00 0.00 54.79 53.82 2gw6 n ASP 100 Cb 0.43 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.72 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gw6 s LEU 101 N -0.45 4.40 -0.21 -2.12 1.43 -1.23 -4.91 118.68 115.58 2gw6 s LEU 101 Ca 0.00 2.61 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 2gw6 s LEU 101 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2gw6 s LEU 101 CO 0.00 -0.63 2.11 -2.16 0.23 0.00 0.00 176.35 175.89 2gw6 s PRO 102 N -0.56 3.28 0.37 1.29 0.04 -1.26 -4.94 135.00 133.23 2gw6 s PRO 102 Ca 0.57 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.63 2gw6 s PRO 102 Cb -0.40 -4.31 -0.06 0.00 0.04 0.00 0.00 34.50 29.76 2gw6 s PRO 102 CO 0.44 -1.93 0.05 1.41 0.04 0.00 0.00 177.00 177.01 2gw6 s MET 103 N 6.00 1.82 0.20 4.56 1.75 -1.26 -5.13 119.30 127.24 2gw6 s MET 103 Ca 0.95 -2.04 -0.19 0.00 -1.25 0.00 0.00 55.69 53.16 2gw6 s MET 103 Cb -0.32 -1.11 0.03 0.00 2.84 0.00 0.00 34.83 36.28 2gw6 s MET 103 CO 0.35 -0.20 0.56 0.45 -0.65 0.00 0.00 175.02 175.53 2gw6 s SER 104 N -3.60 -0.31 0.03 1.11 0.15 -1.26 -4.47 113.70 105.36 2gw6 s SER 104 Ca 0.32 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.44 2gw6 s SER 104 Cb 0.08 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 2gw6 s SER 104 CO 0.15 -1.08 0.22 0.72 1.20 0.00 0.00 173.24 174.44 2gw6 s PHE 105 N -3.86 0.00 -0.14 3.44 -0.71 -1.16 -4.08 117.98 111.47 2gw6 s PHE 105 Ca 0.08 -0.17 -0.05 0.00 -1.04 0.00 0.00 56.93 55.76 2gw6 s PHE 105 Cb -0.02 0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 2gw6 s PHE 105 CO -0.03 -0.42 0.01 0.99 -1.34 0.00 0.00 175.22 174.43 2gw6 s THR 106 N -2.30 4.35 -0.07 -4.49 2.01 0.99 -2.45 115.64 113.67 2gw6 s THR 106 Ca -0.07 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 2gw6 s THR 106 Cb -0.02 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2gw6 s THR 106 CO -0.02 0.52 0.80 -0.76 -0.69 0.00 0.00 174.62 174.47 2gw6 s LEU 107 N -0.01 4.30 -0.59 4.42 1.43 0.90 -2.03 118.68 127.11 2gw6 s LEU 107 Ca 0.03 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.27 2gw6 s LEU 107 Cb -0.13 -3.25 0.11 0.00 0.03 0.00 0.00 46.19 42.96 2gw6 s LEU 107 CO 0.02 -0.21 0.66 0.00 0.23 0.00 0.00 176.35 177.05 2gw6 s ALA 108 N 1.11 3.49 -0.29 4.21 0.00 -0.26 -1.19 121.76 128.83 2gw6 s ALA 108 Ca 0.42 -2.35 -0.19 0.00 0.00 0.00 0.00 51.96 49.84 2gw6 s ALA 108 Cb -0.18 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2gw6 s ALA 108 CO 0.20 -2.27 0.55 0.42 0.00 0.00 0.00 175.76 174.66 2gw6 s ILE 109 N 2.33 5.02 -0.12 0.00 1.01 0.20 0.03 121.20 129.67 2gw6 s ILE 109 Ca 0.10 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2gw6 s ILE 109 Cb -0.25 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2gw6 s ILE 109 CO 0.05 -0.05 -0.11 0.54 0.00 0.00 0.00 174.94 175.37 2gw6 s VAL 110 N 2.42 1.30 0.76 2.92 0.11 -0.17 -0.04 120.40 127.70 2gw6 s VAL 110 Ca 0.22 -0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 58.70 2gw6 s VAL 110 Cb -0.15 -1.25 0.07 0.00 -1.53 0.00 0.00 36.38 33.52 2gw6 s VAL 110 CO 0.11 0.41 1.09 -0.70 -3.33 0.00 0.00 175.10 172.68 2gw6 s GLU 111 N 1.44 2.05 0.57 1.54 -6.30 -0.86 -2.63 118.70 114.50 2gw6 s GLU 111 Ca 0.02 -0.11 0.35 0.00 -2.50 0.00 0.00 54.97 52.73 2gw6 s GLU 111 Cb -0.13 -2.07 1.61 0.00 0.00 0.00 0.00 34.13 33.54 2gw6 s GLU 111 CO -0.07 -1.43 2.08 1.03 0.02 0.00 0.00 175.26 176.89 2gw6 h SER 112 N -0.82 0.00 0.07 -1.70 0.87 -2.00 0.18 113.55 110.15 2gw6 h SER 112 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2gw6 h SER 112 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2gw6 h SER 112 CO 0.62 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 177.42 2gw6 n ASP 113 N -3.18 0.00 -1.11 6.23 8.00 -1.26 -4.85 116.55 120.38 2gw6 n ASP 113 Ca -0.01 -0.51 -0.08 0.00 0.71 0.00 0.00 54.79 54.91 2gw6 n ASP 113 Cb 0.25 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2gw6 n SER 114 N -1.06 -3.03 -4.61 -2.24 7.64 0.64 -5.00 113.62 105.96 2gw6 n SER 114 Ca 0.14 -0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.55 2gw6 n SER 114 Cb 0.09 -2.08 -0.07 0.00 -1.01 0.00 0.00 64.21 61.14 2gw6 n SER 114 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2gw6 s THR 115 N -2.63 5.01 -0.19 0.44 -4.23 -1.24 -4.88 115.64 107.93 2gw6 s THR 115 Ca 0.07 0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 61.42 2gw6 s THR 115 Cb -0.03 -3.90 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 2gw6 s THR 115 CO 0.09 0.01 0.10 -0.63 -0.54 0.00 0.00 174.62 173.65 2gw6 s ILE 116 N 2.44 5.15 -0.05 2.99 1.09 -1.25 -2.04 121.20 129.53 2gw6 s ILE 116 Ca 0.23 0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.90 2gw6 s ILE 116 Cb -0.15 -3.34 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 2gw6 s ILE 116 CO 0.10 0.45 -0.09 0.54 -0.10 0.00 0.00 174.94 175.84 2gw6 s VAL 117 N 0.34 0.85 -0.11 2.92 0.11 0.94 -4.93 120.40 120.51 2gw6 s VAL 117 Ca 0.06 -0.32 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 2gw6 s VAL 117 Cb -0.12 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2gw6 s VAL 117 CO -0.01 0.29 0.53 -0.31 -3.33 0.00 0.00 175.10 172.27 2gw6 s TYR 118 N 0.70 3.52 -0.09 1.54 1.51 -1.26 -0.63 117.35 122.64 2gw6 s TYR 118 Ca -0.12 0.96 0.02 0.00 -1.01 0.00 0.00 57.07 56.92 2gw6 s TYR 118 Cb -0.14 -2.62 0.01 0.00 -0.11 0.00 0.00 41.96 39.10 2gw6 s TYR 118 CO 0.02 0.13 -0.15 -0.47 -1.11 0.00 0.00 175.55 173.97 2gw6 s TYR 119 N 0.74 1.83 -0.32 2.71 5.04 -0.34 -4.95 117.35 122.06 2gw6 s TYR 119 Ca 0.28 -0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 53.98 2gw6 s TYR 119 Cb -0.16 -1.31 -0.01 0.00 0.35 0.00 0.00 41.96 40.83 2gw6 s TYR 119 CO 0.12 -0.38 0.45 0.21 -1.34 0.00 0.00 175.55 174.61 2gw6 s LYS 120 N 0.74 3.73 0.03 4.97 2.36 -1.26 -0.07 119.74 130.25 2gw6 s LYS 120 Ca -0.12 -0.14 0.09 0.00 -2.55 0.00 0.00 55.97 53.25 2gw6 s LYS 120 Cb -0.16 -3.76 -0.03 0.00 -1.05 0.00 0.00 37.83 32.83 2gw6 s LYS 120 CO 0.03 -0.52 -0.26 -0.48 1.55 0.00 0.00 175.35 175.67 2gw6 s LEU 121 N 2.24 2.15 0.21 5.43 2.34 -1.03 -5.02 118.68 125.00 2gw6 s LEU 121 Ca 0.17 -0.56 0.11 0.00 0.06 0.00 0.00 54.13 53.91 2gw6 s LEU 121 Cb -0.16 -1.27 -0.05 0.00 -0.56 0.00 0.00 46.19 44.16 2gw6 s LEU 121 CO 0.12 0.26 -0.23 -0.89 -1.06 0.00 0.00 176.35 174.55 2gw6 s THR 122 N -0.77 2.32 -2.00 5.48 2.01 -1.26 -2.98 115.64 118.44 2gw6 s THR 122 Ca 0.11 -2.10 0.05 0.00 0.31 0.00 0.00 61.69 60.07 2gw6 s THR 122 Cb -0.10 -2.13 0.16 0.00 0.01 0.00 0.00 72.50 70.44 2gw6 s THR 122 CO 0.01 -0.20 0.80 -0.67 -0.69 0.00 0.00 174.62 173.88