#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 0.42 0.00 1.43 0.28 -1.26 -4.81 120.64 116.69 2gw6 n GLU 2 Ca 0.00 -0.60 0.00 0.00 -0.16 0.00 0.00 57.16 56.40 2gw6 n GLU 2 Cb 0.00 -0.58 0.00 0.00 1.43 0.00 0.00 31.44 32.29 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2gw6 n ASP 3 N -0.07 0.56 -4.46 -1.84 5.75 -1.26 -4.91 116.55 110.31 2gw6 n ASP 3 Ca 0.00 -0.08 -0.44 0.00 -0.01 0.00 0.00 54.79 54.26 2gw6 n ASP 3 Cb 0.44 0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.79 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gw6 s ALA 4 N -0.38 3.92 0.00 2.12 0.00 -1.26 -3.16 121.76 122.99 2gw6 s ALA 4 Ca 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.68 2gw6 s ALA 4 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2gw6 s ALA 4 CO 0.00 -2.80 0.00 -2.67 0.00 0.00 0.00 175.76 170.29 2gw6 n TRP 5 N 5.77 0.00 0.38 0.00 4.27 -1.26 -4.97 117.44 121.63 2gw6 n TRP 5 Ca 0.35 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 54.01 2gw6 n TRP 5 Cb 0.44 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.44 2gw6 n TRP 5 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gw6 n MET 6 N 0.00 0.77 -2.75 -2.67 0.00 -1.19 -4.98 117.12 106.29 2gw6 n MET 6 Ca 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 57.70 56.34 2gw6 n MET 6 Cb 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 33.22 32.03 2gw6 n MET 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gw6 n GLY 7 N 0.60 0.08 0.42 3.17 0.00 -1.25 -4.90 105.19 103.31 2gw6 n GLY 7 Ca 0.07 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2gw6 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gw6 n THR 8 N -3.88 0.65 -1.85 2.61 -1.04 -1.23 -4.78 114.28 104.76 2gw6 n THR 8 Ca -0.04 -0.86 -0.43 0.00 -2.04 0.00 0.00 64.05 60.68 2gw6 n THR 8 Cb 0.56 0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 69.31 2gw6 n THR 8 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2gw6 s HIS 9 N -0.99 1.60 0.25 -1.42 2.46 -1.20 -4.84 115.29 111.15 2gw6 s HIS 9 Ca 0.13 0.35 -0.11 0.00 0.47 0.00 0.00 55.06 55.89 2gw6 s HIS 9 Cb 0.12 -4.04 0.35 0.00 -0.13 0.00 0.00 32.58 28.88 2gw6 s HIS 9 CO -0.00 -3.85 1.58 -1.35 -2.47 0.00 0.00 174.74 168.65 2gw6 h PRO 10 N 12.35 -0.01 -0.79 2.88 0.11 -1.95 0.24 132.00 144.83 2gw6 h PRO 10 Ca -0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 2gw6 h PRO 10 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2gw6 h PRO 10 CO 0.98 -0.01 0.39 0.87 -0.21 0.00 0.00 178.00 180.02 2gw6 h LYS 11 N -0.01 1.13 -0.11 1.05 1.57 -1.99 0.95 116.57 119.16 2gw6 h LYS 11 Ca 0.40 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2gw6 h LYS 11 Cb 0.62 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2gw6 h LYS 11 CO -0.88 0.87 0.02 -0.92 -0.57 0.00 0.00 179.45 177.97 2gw6 h TYR 12 N 1.11 0.20 -0.50 -1.35 3.20 -1.15 -2.50 116.97 115.99 2gw6 h TYR 12 Ca 0.27 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.14 2gw6 h TYR 12 Cb 0.10 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2gw6 h TYR 12 CO 0.01 0.38 0.29 1.25 -1.64 0.00 0.00 178.16 178.44 2gw6 h LEU 13 N -0.04 0.45 -1.43 2.82 5.85 -0.12 0.75 115.31 123.58 2gw6 h LEU 13 Ca 0.03 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2gw6 h LEU 13 Cb 0.29 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2gw6 h LEU 13 CO 0.00 0.32 0.46 -0.33 -0.34 0.00 0.00 178.44 178.55 2gw6 h GLU 14 N 0.57 0.64 -0.03 1.25 5.08 -0.78 -0.68 114.58 120.63 2gw6 h GLU 14 Ca 0.20 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 2gw6 h GLU 14 Cb 0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2gw6 h GLU 14 CO -0.10 0.43 -0.79 1.98 -1.00 0.00 0.00 179.01 179.52 2gw6 h MET 15 N 0.66 0.28 -0.62 2.33 4.05 -0.75 -3.18 114.93 117.71 2gw6 h MET 15 Ca 0.31 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 2gw6 h MET 15 Cb 0.37 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2gw6 h MET 15 CO -0.11 0.93 0.12 0.52 0.23 0.00 0.00 176.91 178.61 2gw6 h MET 16 N 0.18 0.98 0.00 0.39 2.86 0.24 -2.79 114.93 116.79 2gw6 h MET 16 Ca -0.04 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2gw6 h MET 16 Cb 1.38 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2gw6 h MET 16 CO 0.13 0.90 0.00 -1.91 1.06 0.00 0.00 176.91 177.08 2gw6 n GLU 17 N -4.24 0.28 -0.79 1.72 2.13 -0.37 -4.33 120.64 115.03 2gw6 n GLU 17 Ca 0.04 0.11 -0.32 0.00 0.66 0.00 0.00 57.16 57.65 2gw6 n GLU 17 Cb 0.26 -1.50 0.14 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.26 2.10 -0.92 4.31 4.77 -1.05 -4.83 117.00 120.11 2gw6 n LEU 18 Ca 0.09 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2gw6 n LEU 18 Cb 0.13 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2gw6 n LEU 18 CO 0.13 -2.67 0.20 0.47 -1.33 0.00 0.00 177.39 174.19 2gw6 n ASP 19 N -2.93 1.16 0.00 -1.43 9.92 -1.26 -3.56 116.55 118.45 2gw6 n ASP 19 Ca 0.10 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 2gw6 n ASP 19 Cb 0.52 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 2gw6 n ASP 19 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2gw6 n ILE 20 N 0.70 0.00 -2.24 0.53 5.41 -1.26 -4.67 119.36 117.83 2gw6 n ILE 20 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2gw6 n ILE 20 Cb 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 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 -0.65 -2.17 3.49 7.39 0.00 -1.23 -5.03 105.19 106.98 2gw6 n GLY 21 Ca 0.00 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.50 4.75 0.41 1.61 -1.08 -1.26 -5.00 116.67 114.60 2gw6 s ASP 22 Ca 0.08 -0.14 0.15 0.00 -0.52 0.00 0.00 52.55 52.13 2gw6 s ASP 22 Cb -0.02 -1.77 1.03 0.00 -1.46 0.00 0.00 42.92 40.69 2gw6 s ASP 22 CO 0.45 0.17 1.89 0.00 0.52 0.00 0.00 175.17 178.19 2gw6 h ALA 23 N 6.69 2.11 -0.01 3.66 0.00 -1.98 0.56 119.26 130.30 2gw6 h ALA 23 Ca -0.31 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 2gw6 h ALA 23 Cb 1.19 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2gw6 h ALA 23 CO 0.62 -0.35 -0.68 1.15 0.00 0.00 0.00 179.25 179.99 2gw6 h THR 24 N 0.45 1.39 0.02 0.00 2.02 -1.99 -2.60 112.91 112.20 2gw6 h THR 24 Ca 0.42 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 2gw6 h THR 24 Cb 0.95 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 2gw6 h THR 24 CO -0.15 0.62 -0.01 1.56 0.37 0.00 0.00 175.52 177.91 2gw6 h GLN 25 N 0.01 -0.03 -0.65 6.66 1.08 -1.61 -1.47 115.11 119.11 2gw6 h GLN 25 Ca -0.08 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2gw6 h GLN 25 Cb 1.38 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 2gw6 h GLN 25 CO 0.13 0.25 0.43 -0.39 -0.95 0.00 0.00 178.83 178.30 2gw6 h VAL 26 N -0.30 1.07 0.22 -0.54 -1.51 -0.04 0.28 116.25 115.43 2gw6 h VAL 26 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 2gw6 h VAL 26 Cb 0.29 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 2gw6 h VAL 26 CO 0.00 0.14 -0.11 0.22 -1.23 0.00 0.00 177.57 176.59 2gw6 h TYR 27 N 0.75 -0.28 -0.32 5.19 3.20 -1.34 -2.44 116.97 121.74 2gw6 h TYR 27 Ca 0.26 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 2gw6 h TYR 27 Cb 0.12 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2gw6 h TYR 27 CO -0.00 0.10 -0.19 0.28 -1.64 0.00 0.00 178.16 176.72 2gw6 h VAL 28 N -0.75 1.29 -0.58 1.81 2.07 -0.95 -2.41 116.25 116.72 2gw6 h VAL 28 Ca -0.03 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 2gw6 h VAL 28 Cb 0.50 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2gw6 h VAL 28 CO 0.05 0.42 0.03 0.00 0.02 0.00 0.00 177.57 178.10 2gw6 h ALA 29 N 0.75 0.96 -0.48 1.67 0.00 -0.58 -2.32 119.26 119.26 2gw6 h ALA 29 Ca 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2gw6 h ALA 29 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2gw6 h ALA 29 CO 0.05 0.64 0.28 0.35 0.00 0.00 0.00 179.25 180.57 2gw6 h PHE 30 N 0.91 0.52 -0.41 0.00 3.57 -1.28 0.35 116.94 120.61 2gw6 h PHE 30 Ca 0.17 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2gw6 h PHE 30 Cb 0.49 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2gw6 h PHE 30 CO 0.03 0.30 0.24 -0.07 -2.23 0.00 0.00 178.31 176.58 2gw6 h LEU 31 N 0.56 0.40 -0.09 0.59 4.07 -1.17 -0.70 115.31 118.97 2gw6 h LEU 31 Ca 0.20 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.91 2gw6 h LEU 31 Cb 0.03 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.70 2gw6 h LEU 31 CO -0.10 0.29 -1.02 -0.37 -1.08 0.00 0.00 178.44 176.16 2gw6 h VAL 32 N 0.49 1.39 -0.24 1.22 -1.51 -1.06 -2.13 116.25 114.42 2gw6 h VAL 32 Ca 0.16 -2.50 0.06 0.00 -1.23 0.00 0.00 66.70 63.19 2gw6 h VAL 32 Cb 0.00 2.51 -0.07 0.00 -2.13 0.00 0.00 31.29 31.60 2gw6 h VAL 32 CO -0.07 0.75 -0.24 0.22 -1.23 0.00 0.00 177.57 177.00 2gw6 h TYR 33 N 0.23 -0.65 0.00 5.19 3.20 -0.13 0.18 116.97 124.99 2gw6 h TYR 33 Ca -0.10 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 2gw6 h TYR 33 Cb 1.67 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 40.26 2gw6 h TYR 33 CO 0.07 -0.32 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.97 2gw6 h LEU 34 N -0.25 0.00 -0.03 2.82 4.07 -1.15 -0.66 115.31 120.12 2gw6 h LEU 34 Ca 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2gw6 h LEU 34 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2gw6 h LEU 34 CO -0.38 0.23 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.37 2gw6 h ASP 35 N 0.00 0.10 -0.47 -0.43 3.58 -0.54 0.12 116.42 118.77 2gw6 h ASP 35 Ca -0.00 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2gw6 h ASP 35 Cb 0.49 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2gw6 h ASP 35 CO 0.03 0.67 0.31 -0.07 -2.88 0.00 0.00 179.24 177.30 2gw6 h LEU 36 N -0.47 0.55 -0.00 2.28 3.38 -0.59 0.32 115.31 120.77 2gw6 h LEU 36 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2gw6 h LEU 36 Cb 0.66 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2gw6 h LEU 36 CO 0.01 0.40 -0.01 -0.03 0.09 0.00 0.00 178.44 178.91 2gw6 h MET 37 N 0.64 0.01 0.00 1.13 4.05 -1.13 0.24 114.93 119.87 2gw6 h MET 37 Ca 0.17 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2gw6 h MET 37 Cb -0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2gw6 h MET 37 CO -0.04 0.60 -1.86 0.39 0.23 0.00 0.00 176.91 176.23 2gw6 n GLU 38 N -4.80 0.60 -0.06 0.39 -0.58 0.41 -3.48 120.64 113.13 2gw6 n GLU 38 Ca -0.09 -0.17 -0.11 0.00 -0.42 0.00 0.00 57.16 56.37 2gw6 n GLU 38 Cb 0.30 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2gw6 n SER 39 N -2.22 1.40 0.03 1.62 7.64 0.36 -4.61 113.62 117.84 2gw6 n SER 39 Ca -0.03 0.09 0.12 0.00 1.01 0.00 0.00 58.87 60.06 2gw6 n SER 39 Cb 0.55 -0.30 0.18 0.00 -1.01 0.00 0.00 64.21 63.64 2gw6 n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2gw6 n LYS 40 N -3.34 0.16 -2.10 1.43 4.76 0.84 -5.00 118.16 114.91 2gw6 n LYS 40 Ca -0.22 0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.08 2gw6 n LYS 40 Cb 0.67 -1.59 0.02 0.00 -1.84 0.00 0.00 35.03 32.29 2gw6 n LYS 40 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2gw6 n SER 41 N -1.82 -2.40 0.00 4.39 3.41 0.82 -4.97 113.62 113.05 2gw6 n SER 41 Ca 0.04 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2gw6 n SER 41 Cb 0.39 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2gw6 n SER 41 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2gw6 n TRP 42 N -0.07 0.00 0.00 7.33 8.01 -1.11 -5.03 117.44 126.57 2gw6 n TRP 42 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 2gw6 n TRP 42 Cb 0.30 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.60 2gw6 n TRP 42 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 2gw6 n HIS 43 N -0.06 0.00 -3.71 -5.99 -0.00 -1.22 -4.74 115.22 99.51 2gw6 n HIS 43 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2gw6 n HIS 43 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2gw6 n HIS 43 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2gw6 s GLU 44 N 0.00 0.23 -0.06 1.57 2.56 -0.74 -4.97 118.70 117.29 2gw6 s GLU 44 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 54.97 55.59 2gw6 s GLU 44 Cb 0.00 -0.07 0.03 0.00 2.00 0.00 0.00 34.13 36.08 2gw6 s GLU 44 CO 0.00 -0.19 0.02 0.14 -0.56 0.00 0.00 175.26 174.67 2gw6 s VAL 45 N 1.56 0.20 0.10 3.70 -7.23 -1.26 -0.79 120.40 116.67 2gw6 s VAL 45 Ca -0.07 0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.39 2gw6 s VAL 45 Cb -0.10 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2gw6 s VAL 45 CO -0.09 0.23 -0.07 0.20 -0.31 0.00 0.00 175.10 175.05 2gw6 s ASN 46 N 1.98 4.57 -0.15 4.85 0.01 0.21 -4.94 114.94 121.47 2gw6 s ASN 46 Ca 0.04 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2gw6 s ASN 46 Cb -0.12 -0.93 0.01 0.00 0.41 0.00 0.00 41.25 40.62 2gw6 s ASN 46 CO -0.04 0.17 -0.20 0.00 -1.51 0.00 0.00 177.10 175.52 2gw6 s VAL 48 N 1.04 0.63 -0.10 0.00 1.01 -0.34 -5.01 120.40 117.63 2gw6 s VAL 48 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2gw6 s VAL 48 Cb -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2gw6 s VAL 48 CO -0.06 0.11 0.02 -0.83 0.00 0.00 0.00 175.10 174.35 2gw6 s GLY 49 N -0.37 1.89 -0.41 4.51 0.00 -1.26 -0.22 107.32 111.46 2gw6 s GLY 49 Ca 0.02 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.00 2gw6 s GLY 49 CO -0.00 -0.47 0.14 1.08 0.00 0.00 0.00 173.10 173.84 2gw6 s LEU 50 N -0.76 4.34 0.58 0.66 1.43 0.86 -4.82 118.68 120.97 2gw6 s LEU 50 Ca 0.12 -2.46 0.29 0.00 -1.03 0.00 0.00 54.13 51.05 2gw6 s LEU 50 Cb -0.12 -1.56 1.79 0.00 0.03 0.00 0.00 46.19 46.34 2gw6 s LEU 50 CO 0.02 -0.32 2.24 -0.65 0.23 0.00 0.00 176.35 177.87 2gw6 h PRO 51 N 7.19 0.00 -0.76 1.29 0.11 -1.83 0.72 132.00 138.71 2gw6 h PRO 51 Ca -0.06 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2gw6 h PRO 51 Cb 0.97 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 2gw6 h PRO 51 CO 0.58 0.01 0.50 0.93 -0.21 0.00 0.00 178.00 179.81 2gw6 h GLU 52 N 0.00 0.97 -0.00 1.05 5.08 -1.94 -3.00 114.58 116.74 2gw6 h GLU 52 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2gw6 h GLU 52 Cb 0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2gw6 h GLU 52 CO 0.00 0.64 -0.37 1.28 -1.00 0.00 0.00 179.01 179.56 2gw6 n LEU 53 N -4.58 0.98 -2.31 1.33 4.32 -0.95 -4.99 117.00 110.81 2gw6 n LEU 53 Ca 0.08 -0.65 -0.20 0.00 -0.02 0.00 0.00 56.01 55.22 2gw6 n LEU 53 Cb 0.04 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.83 2gw6 n LEU 53 CO 0.35 0.21 -0.26 0.00 -1.22 0.00 0.00 177.39 176.47 2gw6 n GLN 54 N -0.68 -1.62 -4.29 3.23 6.02 0.24 -4.99 117.38 115.30 2gw6 n GLN 54 Ca 0.04 0.99 -0.26 0.00 -0.01 0.00 0.00 57.00 57.75 2gw6 n GLN 54 Cb 0.22 -5.61 -0.09 0.00 1.02 0.00 0.00 30.24 25.78 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 -5.83 3.05 -0.11 1.08 0.05 -0.87 -4.92 118.68 111.14 2gw6 s LEU 55 Ca 0.00 -0.59 -0.04 0.00 0.05 0.00 0.00 54.13 53.55 2gw6 s LEU 55 Cb 0.00 -1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 42.42 2gw6 s LEU 55 CO 0.00 0.08 0.06 -0.63 -0.55 0.00 0.00 176.35 175.31 2gw6 s ILE 56 N -1.87 4.82 -0.04 1.48 -1.09 -1.26 -0.10 121.20 123.14 2gw6 s ILE 56 Ca 0.27 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 2gw6 s ILE 56 Cb -0.08 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 2gw6 s ILE 56 CO 0.17 0.60 -0.04 0.00 -1.23 0.00 0.00 174.94 174.43 2gw6 s LEU 58 N 0.86 3.50 -0.02 0.00 2.96 -0.96 -1.20 118.68 123.82 2gw6 s LEU 58 Ca -0.12 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2gw6 s LEU 58 Cb -0.14 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2gw6 s LEU 58 CO 0.00 -0.07 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.19 2gw6 s VAL 59 N 1.59 0.72 0.00 1.68 1.01 -0.31 -0.60 120.40 124.50 2gw6 s VAL 59 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2gw6 s VAL 59 Cb -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.58 2gw6 s VAL 59 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2gw6 n GLY 60 N 3.23 3.15 3.39 4.51 0.00 -1.04 -0.62 105.19 117.82 2gw6 n GLY 60 Ca -0.17 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.45 3.10 0.13 2.61 -4.23 0.03 -3.94 115.64 110.89 2gw6 s THR 61 Ca 0.00 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2gw6 s THR 61 Cb 0.00 -2.29 -0.20 0.00 1.34 0.00 0.00 72.50 71.35 2gw6 s THR 61 CO 0.00 0.53 1.30 -0.08 -0.54 0.00 0.00 174.62 175.83 2gw6 h GLU 62 N 6.50 0.05 -3.43 3.99 4.81 -1.86 -1.97 114.58 122.68 2gw6 h GLU 62 Ca -0.29 -0.08 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 2gw6 h GLU 62 Cb 1.20 0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.27 2gw6 h GLU 62 CO 0.55 0.99 -0.71 0.42 -0.73 0.00 0.00 179.01 179.53 2gw6 s ILE 63 N -2.83 -0.07 -0.15 2.32 -1.09 -1.26 -4.00 121.20 114.11 2gw6 s ILE 63 Ca -0.00 0.25 -0.33 0.00 -2.23 0.00 0.00 60.65 58.34 2gw6 s ILE 63 Cb 0.10 -0.12 -0.10 0.00 -1.58 0.00 0.00 42.46 40.75 2gw6 s ILE 63 CO 0.82 0.10 2.01 -1.84 -1.23 0.00 0.00 174.94 174.81 2gw6 n GLU 64 N 4.42 2.00 0.00 2.79 0.28 -1.26 -1.05 120.64 127.81 2gw6 n GLU 64 Ca -0.23 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 2gw6 n GLU 64 Cb 0.50 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.62 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 5.07 1.02 2.58 -1.84 0.00 -1.26 -5.05 105.19 105.70 2gw6 n GLY 65 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 0.48 0.00 1.61 0.00 -0.22 -5.05 120.64 117.47 2gw6 n GLU 66 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 57.16 55.21 2gw6 n GLU 66 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 31.44 31.16 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gw6 n GLY 67 N 0.16 0.00 0.07 8.31 0.00 -1.26 -4.76 105.19 107.71 2gw6 n GLY 67 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.58 0.99 4.32 -1.26 -4.90 117.00 113.14 2gw6 n LEU 68 Ca 0.00 -1.45 -0.40 0.00 -0.02 0.00 0.00 56.01 54.14 2gw6 n LEU 68 Cb 0.00 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 2gw6 n LEU 68 CO 0.00 0.39 0.06 -1.10 -1.22 0.00 0.00 177.39 175.51 2gw6 s GLN 69 N -0.52 3.84 -0.12 3.23 1.11 -1.25 -4.83 119.66 121.12 2gw6 s GLN 69 Ca 0.02 -0.13 0.00 0.00 0.01 0.00 0.00 55.36 55.26 2gw6 s GLN 69 Cb 0.01 -3.71 -0.02 0.00 -1.01 0.00 0.00 33.01 28.28 2gw6 s GLN 69 CO 0.02 -0.38 -0.12 0.99 0.01 0.00 0.00 175.29 175.81 2gw6 s THR 70 N 2.07 3.17 -0.06 -0.19 2.01 -1.26 -2.49 115.64 118.88 2gw6 s THR 70 Ca 0.14 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2gw6 s THR 70 Cb -0.16 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2gw6 s THR 70 CO 0.11 0.53 -0.18 0.68 -0.69 0.00 0.00 174.62 175.07 2gw6 s VAL 71 N 0.16 1.50 -0.18 3.82 -7.23 0.24 -0.02 120.40 118.68 2gw6 s VAL 71 Ca -0.06 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2gw6 s VAL 71 Cb -0.15 -1.31 0.03 0.00 0.56 0.00 0.00 36.38 35.51 2gw6 s VAL 71 CO 0.05 0.43 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.42 2gw6 s VAL 72 N 0.19 1.86 -0.05 1.32 1.01 -0.69 -2.27 120.40 121.77 2gw6 s VAL 72 Ca -0.08 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.64 2gw6 s VAL 72 Cb -0.13 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.37 2gw6 s VAL 72 CO 0.04 0.40 1.89 -0.81 0.00 0.00 0.00 175.10 176.62 2gw6 n PRO 73 N 4.66 2.31 -3.68 2.72 -0.04 -1.26 -2.25 135.00 137.46 2gw6 n PRO 73 Ca -0.18 0.85 -0.21 0.00 -0.04 0.00 0.00 63.50 63.92 2gw6 n PRO 73 Cb 0.49 -2.71 -0.18 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.02 -0.04 0.59 0.52 2.01 0.51 -4.94 115.64 118.31 2gw6 s THR 74 Ca 0.91 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 63.14 2gw6 s THR 74 Cb -0.64 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2gw6 s THR 74 CO 0.49 0.16 1.02 -2.16 -0.69 0.00 0.00 174.62 173.45 2gw6 s PRO 75 N 2.14 3.67 0.63 4.92 0.04 -1.26 -1.07 135.00 144.07 2gw6 s PRO 75 Ca 0.05 0.84 0.34 0.00 0.04 0.00 0.00 61.00 62.27 2gw6 s PRO 75 Cb -0.12 -2.09 1.93 0.00 0.04 0.00 0.00 34.50 34.25 2gw6 s PRO 75 CO -0.04 -0.51 2.17 0.82 0.04 0.00 0.00 177.00 179.48 2gw6 h ILE 76 N 0.07 0.22 0.00 0.56 1.08 -1.80 -2.41 117.51 115.22 2gw6 h ILE 76 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2gw6 h ILE 76 Cb 1.19 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2gw6 h ILE 76 CO 0.61 0.00 -1.00 0.41 -0.69 0.00 0.00 178.15 177.48 2gw6 n THR 77 N -3.38 0.22 -2.47 -0.27 -1.04 -1.26 -4.89 114.28 101.20 2gw6 n THR 77 Ca -0.01 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 2gw6 n THR 77 Cb 0.23 0.12 0.09 0.00 -1.82 0.00 0.00 70.33 68.95 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gw6 s ALA 78 N -3.21 3.52 0.00 2.41 0.00 -0.91 -5.07 121.76 118.50 2gw6 s ALA 78 Ca 0.03 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.61 2gw6 s ALA 78 Cb 0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2gw6 s ALA 78 CO 0.79 -1.34 -0.15 -1.54 0.00 0.00 0.00 175.76 173.51 2gw6 s SER 79 N -4.63 3.97 0.35 0.00 1.04 -1.26 -4.89 113.70 108.26 2gw6 s SER 79 Ca 0.64 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.80 2gw6 s SER 79 Cb -0.07 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.29 2gw6 s SER 79 CO 0.44 0.29 0.50 -0.22 0.98 0.00 0.00 173.24 175.23 2gw6 s LEU 80 N -1.17 3.95 -0.22 2.42 2.96 -1.26 -4.96 118.68 120.40 2gw6 s LEU 80 Ca 0.14 -0.01 -0.33 0.00 -0.22 0.00 0.00 54.13 53.70 2gw6 s LEU 80 Cb -0.11 -2.89 0.15 0.00 0.50 0.00 0.00 46.19 43.85 2gw6 s LEU 80 CO 0.04 -0.44 1.24 -0.55 -1.32 0.00 0.00 176.35 175.33 2gw6 s SER 81 N -4.15 -0.12 0.50 3.68 0.15 -1.26 -4.87 113.70 107.62 2gw6 s SER 81 Ca 0.44 0.06 0.25 0.00 0.70 0.00 0.00 55.95 57.39 2gw6 s SER 81 Cb -0.10 0.12 1.31 0.00 -1.71 0.00 0.00 66.02 65.64 2gw6 s SER 81 CO 0.33 -0.17 2.03 1.12 1.20 0.00 0.00 173.24 177.74 2gw6 h HIS 82 N 2.08 0.00 0.00 3.44 2.07 -1.99 0.94 115.15 121.69 2gw6 h HIS 82 Ca -0.09 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.42 2gw6 h HIS 82 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2gw6 h HIS 82 CO 0.26 0.15 -0.05 -0.97 -3.07 0.00 0.00 177.93 174.25 2gw6 h ASN 83 N 0.00 0.04 -0.83 3.10 -0.73 -2.00 -3.05 115.58 112.13 2gw6 h ASN 83 Ca -0.00 -0.83 0.03 0.00 1.87 0.00 0.00 56.30 57.37 2gw6 h ASN 83 Cb 0.39 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 2gw6 h ASN 83 CO 0.02 0.87 0.53 -0.09 -0.37 0.00 0.00 177.43 178.39 2gw6 h ARG 84 N -0.78 1.00 -0.49 6.67 1.12 -1.83 -1.17 114.38 118.89 2gw6 h ARG 84 Ca -0.01 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.74 2gw6 h ARG 84 Cb 0.88 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.59 2gw6 h ARG 84 CO 0.01 0.66 0.06 -0.84 -3.11 0.00 0.00 179.97 176.75 2gw6 h ILE 85 N 1.03 1.23 -0.17 1.20 3.07 -0.92 -1.57 117.51 121.37 2gw6 h ILE 85 Ca 0.33 -0.89 0.01 0.00 1.55 0.00 0.00 64.86 65.86 2gw6 h ILE 85 Cb 0.01 0.79 -0.01 0.00 -0.27 0.00 0.00 36.82 37.34 2gw6 h ILE 85 CO -0.11 0.32 0.12 0.03 -1.05 0.00 0.00 178.15 177.45 2gw6 h ARG 86 N 0.74 0.18 0.04 0.16 2.47 -1.11 0.28 114.38 117.15 2gw6 h ARG 86 Ca 0.16 -0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.60 2gw6 h ARG 86 Cb 0.36 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2gw6 h ARG 86 CO 0.01 0.12 -1.09 0.93 0.56 0.00 0.00 179.97 180.50 2gw6 h GLU 87 N 0.19 0.59 -0.29 0.04 5.08 -0.80 -2.15 114.58 117.24 2gw6 h GLU 87 Ca 0.07 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 2gw6 h GLU 87 Cb 0.04 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2gw6 h GLU 87 CO -0.01 1.29 0.12 0.82 -1.00 0.00 0.00 179.01 180.23 2gw6 h ILE 88 N 0.31 1.17 -0.08 3.13 2.04 -0.35 -0.64 117.51 123.09 2gw6 h ILE 88 Ca -0.14 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.25 2gw6 h ILE 88 Cb 1.75 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.75 2gw6 h ILE 88 CO 0.21 0.18 -0.35 -0.07 0.00 0.00 0.00 178.15 178.11 2gw6 h LEU 89 N 0.32 -1.09 -0.84 1.44 3.38 -0.51 0.32 115.31 118.34 2gw6 h LEU 89 Ca 0.10 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.41 2gw6 h LEU 89 Cb 0.17 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 2gw6 h LEU 89 CO -0.01 -0.39 0.31 0.50 0.09 0.00 0.00 178.44 178.93 2gw6 h LYS 90 N -0.46 0.34 0.42 1.13 3.64 -1.12 0.24 116.57 120.77 2gw6 h LYS 90 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2gw6 h LYS 90 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2gw6 h LYS 90 CO -0.34 0.23 -0.20 0.00 -2.27 0.00 0.00 179.45 176.87 2gw6 h ALA 91 N 1.67 -0.57 -0.45 5.00 0.00 -0.29 -2.52 119.26 122.10 2gw6 h ALA 91 Ca 0.50 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2gw6 h ALA 91 Cb 0.91 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2gw6 h ALA 91 CO -0.52 -0.69 -0.05 0.66 0.00 0.00 0.00 179.25 178.66 2gw6 h SER 92 N -0.83 0.74 0.56 0.00 4.64 0.41 -2.34 113.55 116.73 2gw6 h SER 92 Ca -0.06 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 2gw6 h SER 92 Cb 0.55 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2gw6 h SER 92 CO 0.10 0.83 -0.55 0.03 -0.87 0.00 0.00 176.83 176.37 2gw6 h ARG 93 N 0.70 0.00 -0.68 4.77 3.08 -0.61 0.10 114.38 121.75 2gw6 h ARG 93 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2gw6 h ARG 93 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2gw6 h ARG 93 CO 0.03 0.55 0.21 -0.22 -1.07 0.00 0.00 179.97 179.46 2gw6 h LYS 94 N 0.00 1.04 -0.03 0.04 3.64 -0.97 0.23 116.57 120.52 2gw6 h LYS 94 Ca -0.01 -0.21 -0.21 0.00 -1.27 0.00 0.00 60.65 58.95 2gw6 h LYS 94 Cb 0.98 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2gw6 h LYS 94 CO 0.07 0.89 -0.85 -0.07 -2.27 0.00 0.00 179.45 177.22 2gw6 h LEU 95 N 1.00 0.48 0.00 5.20 3.38 -0.90 -2.75 115.31 121.73 2gw6 h LEU 95 Ca 0.22 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2gw6 h LEU 95 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gw6 h LEU 95 CO -0.01 1.14 0.00 1.67 0.09 0.00 0.00 178.44 181.33 2gw6 n GLN 96 N -3.77 0.15 -1.68 1.13 -0.06 0.29 -4.86 117.38 108.58 2gw6 n GLN 96 Ca -0.05 0.07 -0.14 0.00 -2.00 0.00 0.00 57.00 54.87 2gw6 n GLN 96 Cb 0.78 -1.50 -0.05 0.00 -4.06 0.00 0.00 30.24 25.42 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 0.95 0.98 3.79 1.69 0.00 -0.01 -5.01 105.19 107.58 2gw6 n GLY 97 Ca 0.08 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.70 6.12 0.08 1.61 -1.08 0.60 -5.00 116.67 116.30 2gw6 s ASP 98 Ca 0.00 0.33 -0.33 0.00 -0.52 0.00 0.00 52.55 52.02 2gw6 s ASP 98 Cb 0.00 -2.00 -0.17 0.00 -1.46 0.00 0.00 42.92 39.30 2gw6 s ASP 98 CO 0.00 0.32 1.61 -0.65 0.52 0.00 0.00 175.17 176.97 2gw6 h PRO 99 N 5.63 -0.89 0.00 4.34 0.11 -1.95 -3.36 132.00 135.88 2gw6 h PRO 99 Ca -0.49 0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2gw6 h PRO 99 Cb 1.20 0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 2gw6 h PRO 99 CO 0.64 -0.59 0.00 -3.47 -0.21 0.00 0.00 178.00 174.37 2gw6 n ASP 100 N -5.51 -0.32 -4.72 -2.05 2.03 -1.26 -4.88 116.55 99.84 2gw6 n ASP 100 Ca -0.12 -1.22 -0.41 0.00 0.52 0.00 0.00 54.79 53.55 2gw6 n ASP 100 Cb 0.40 0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 40.98 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2gw6 s LEU 101 N -0.75 4.45 -0.27 -2.67 1.02 -1.26 -4.94 118.68 114.27 2gw6 s LEU 101 Ca 0.01 1.78 -0.28 0.00 0.02 0.00 0.00 54.13 55.67 2gw6 s LEU 101 Cb 0.05 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.63 2gw6 s LEU 101 CO -0.02 -0.15 2.26 -2.84 0.02 0.00 0.00 176.35 175.62 2gw6 s PRO 102 N 0.33 2.93 0.00 1.29 0.02 -1.26 -4.92 135.00 133.40 2gw6 s PRO 102 Ca 0.49 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2gw6 s PRO 102 Cb -0.23 -4.41 0.00 0.00 0.02 0.00 0.00 34.50 29.87 2gw6 s PRO 102 CO 0.30 -2.33 0.00 -0.12 -0.33 0.00 0.00 177.00 174.51 2gw6 n MET 103 N 8.82 3.78 -4.08 5.54 1.56 -1.26 -4.97 117.12 126.50 2gw6 n MET 103 Ca 0.31 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.65 2gw6 n MET 103 Cb 0.47 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.75 2gw6 n MET 103 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2gw6 s SER 104 N 0.76 0.29 -0.03 6.12 0.15 -1.26 -3.15 113.70 116.58 2gw6 s SER 104 Ca 0.00 -1.05 -0.09 0.00 0.70 0.00 0.00 55.95 55.51 2gw6 s SER 104 Cb 0.00 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2gw6 s SER 104 CO 0.00 -0.73 0.20 0.72 1.20 0.00 0.00 173.24 174.63 2gw6 s PHE 105 N -3.99 -0.09 -0.21 3.44 -0.12 -1.16 -4.59 117.98 111.26 2gw6 s PHE 105 Ca 0.17 0.16 -0.15 0.00 -0.05 0.00 0.00 56.93 57.06 2gw6 s PHE 105 Cb 0.07 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2gw6 s PHE 105 CO -0.03 -0.26 0.35 0.99 -0.05 0.00 0.00 175.22 176.22 2gw6 s THR 106 N -0.95 5.23 -0.09 -4.49 2.01 0.97 -2.39 115.64 115.92 2gw6 s THR 106 Ca -0.10 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.20 2gw6 s THR 106 Cb -0.05 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2gw6 s THR 106 CO 0.02 0.27 0.94 -0.76 -0.69 0.00 0.00 174.62 174.39 2gw6 s LEU 107 N 1.30 4.26 -0.53 4.42 1.43 0.11 -1.70 118.68 127.98 2gw6 s LEU 107 Ca 0.16 1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 2gw6 s LEU 107 Cb -0.15 -3.45 0.13 0.00 0.03 0.00 0.00 46.19 42.75 2gw6 s LEU 107 CO 0.07 -0.37 0.48 0.00 0.23 0.00 0.00 176.35 176.76 2gw6 s ALA 108 N 1.74 3.61 -0.12 4.21 0.00 -0.96 -0.82 121.76 129.42 2gw6 s ALA 108 Ca 0.46 -2.54 -0.19 0.00 0.00 0.00 0.00 51.96 49.69 2gw6 s ALA 108 Cb -0.18 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2gw6 s ALA 108 CO 0.19 -2.00 0.53 0.42 0.00 0.00 0.00 175.76 174.89 2gw6 s ILE 109 N 1.56 5.15 -0.06 0.00 1.01 0.12 -0.36 121.20 128.62 2gw6 s ILE 109 Ca 0.03 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.76 2gw6 s ILE 109 Cb -0.29 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2gw6 s ILE 109 CO 0.02 0.28 -0.15 0.54 0.00 0.00 0.00 174.94 175.64 2gw6 s VAL 110 N 0.85 1.31 0.50 2.92 0.11 -0.23 -0.01 120.40 125.85 2gw6 s VAL 110 Ca 0.28 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 2gw6 s VAL 110 Cb -0.16 -1.16 -0.08 0.00 -1.53 0.00 0.00 36.38 33.45 2gw6 s VAL 110 CO 0.11 0.39 1.00 -0.70 -3.33 0.00 0.00 175.10 172.58 2gw6 s GLU 111 N 0.47 3.85 0.00 1.54 2.56 -0.31 -2.12 118.70 124.69 2gw6 s GLU 111 Ca -0.12 1.14 0.00 0.00 0.00 0.00 0.00 54.97 55.99 2gw6 s GLU 111 Cb -0.15 -2.12 0.02 0.00 2.00 0.00 0.00 34.13 33.89 2gw6 s GLU 111 CO 0.04 -0.36 0.78 0.43 -0.56 0.00 0.00 175.26 175.58 2gw6 n SER 112 N -1.30 0.00 -0.03 -1.70 7.64 -1.26 -2.79 113.62 114.19 2gw6 n SER 112 Ca 0.08 0.25 -0.03 0.00 1.01 0.00 0.00 58.87 60.17 2gw6 n SER 112 Cb 0.53 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2gw6 n SER 112 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gw6 n ASP 113 N -1.26 3.62 0.00 6.43 8.00 -1.26 -5.07 116.55 127.01 2gw6 n ASP 113 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2gw6 n ASP 113 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2gw6 n SER 114 N -2.39 0.00 -4.69 -2.24 3.41 -1.12 -5.13 113.62 101.45 2gw6 n SER 114 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 2gw6 n SER 114 Cb 0.65 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 2gw6 n SER 114 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gw6 s THR 115 N -1.75 2.58 -0.13 6.66 -1.32 -1.26 -4.76 115.64 115.66 2gw6 s THR 115 Ca 0.00 0.10 -0.01 0.00 -1.21 0.00 0.00 61.69 60.57 2gw6 s THR 115 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 72.50 67.90 2gw6 s THR 115 CO 0.00 0.00 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.69 2gw6 s ILE 116 N 2.67 3.45 -0.16 5.08 1.01 -1.26 -1.16 121.20 130.83 2gw6 s ILE 116 Ca 0.80 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.92 2gw6 s ILE 116 Cb -0.45 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.59 2gw6 s ILE 116 CO 0.36 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 175.06 2gw6 s VAL 117 N 0.15 1.22 0.11 2.92 1.01 0.98 -4.95 120.40 121.84 2gw6 s VAL 117 Ca -0.04 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2gw6 s VAL 117 Cb -0.14 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 2gw6 s VAL 117 CO 0.04 0.18 0.86 -0.31 0.00 0.00 0.00 175.10 175.87 2gw6 s TYR 118 N 1.59 3.82 -0.04 5.22 2.02 -1.26 -0.70 117.35 128.00 2gw6 s TYR 118 Ca 0.01 1.68 -0.01 0.00 -0.37 0.00 0.00 57.07 58.37 2gw6 s TYR 118 Cb -0.15 -2.92 0.03 0.00 -0.40 0.00 0.00 41.96 38.52 2gw6 s TYR 118 CO -0.08 0.30 0.09 -0.47 -1.57 0.00 0.00 175.55 173.83 2gw6 s TYR 119 N -0.33 -0.07 0.12 2.71 5.04 0.00 -4.97 117.35 119.86 2gw6 s TYR 119 Ca 0.42 0.32 -0.19 0.00 -2.44 0.00 0.00 57.07 55.17 2gw6 s TYR 119 Cb -0.23 -0.16 -0.07 0.00 0.35 0.00 0.00 41.96 41.85 2gw6 s TYR 119 CO 0.27 -0.13 0.62 0.21 -1.34 0.00 0.00 175.55 175.18 2gw6 s LYS 120 N 1.12 4.22 -0.02 4.97 2.47 -1.26 0.08 119.74 131.32 2gw6 s LYS 120 Ca -0.09 0.77 0.02 0.00 -1.56 0.00 0.00 55.97 55.11 2gw6 s LYS 120 Cb -0.12 -3.12 0.01 0.00 -1.46 0.00 0.00 37.83 33.13 2gw6 s LYS 120 CO -0.05 0.56 -0.06 -1.17 0.16 0.00 0.00 175.35 174.79 2gw6 s LEU 121 N -1.42 1.73 0.21 5.43 0.20 -1.01 -4.93 118.68 118.89 2gw6 s LEU 121 Ca 0.34 -0.13 0.10 0.00 0.69 0.00 0.00 54.13 55.12 2gw6 s LEU 121 Cb -0.19 -0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 2gw6 s LEU 121 CO 0.20 0.03 -0.11 0.42 -0.29 0.00 0.00 176.35 176.61 2gw6 s THR 122 N 0.28 3.05 -0.46 3.68 -4.23 -1.26 -3.00 115.64 113.70 2gw6 s THR 122 Ca -0.04 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 2gw6 s THR 122 Cb -0.08 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.25 2gw6 s THR 122 CO 0.00 -0.19 0.62 -0.67 -0.54 0.00 0.00 174.62 173.83