#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 0.06 -0.97 1.43 0.28 -1.26 -4.84 120.64 115.34 2gw6 n GLU 2 Ca 0.00 -0.81 -0.01 0.00 -0.16 0.00 0.00 57.16 56.19 2gw6 n GLU 2 Cb 0.00 -0.52 -0.01 0.00 1.43 0.00 0.00 31.44 32.33 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 -0.03 0.06 -0.08 -1.84 5.68 -1.26 -4.82 116.55 114.25 2gw6 n ASP 3 Ca 0.00 -1.82 0.07 0.00 -0.50 0.00 0.00 54.79 52.54 2gw6 n ASP 3 Cb 0.60 -0.06 0.10 0.00 -1.14 0.00 0.00 41.12 40.62 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gw6 n ALA 4 N 0.17 2.20 -0.13 2.12 0.00 -1.26 -1.93 120.51 121.68 2gw6 n ALA 4 Ca -0.06 -2.06 -0.11 0.00 0.00 0.00 0.00 53.44 51.21 2gw6 n ALA 4 Cb 0.81 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 2gw6 n ALA 4 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2gw6 h TRP 5 N 0.09 0.80 0.00 0.00 4.06 -1.96 -3.39 115.95 115.56 2gw6 h TRP 5 Ca 0.00 -0.17 -0.19 0.00 2.06 0.00 0.00 58.89 60.59 2gw6 h TRP 5 Cb 0.85 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.78 2gw6 h TRP 5 CO 0.02 0.86 -1.62 -1.33 -3.56 0.00 0.00 178.44 172.81 2gw6 n MET 6 N -4.38 0.24 0.00 0.49 2.81 -1.26 -5.04 117.12 109.97 2gw6 n MET 6 Ca -0.02 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2gw6 n MET 6 Cb 0.35 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 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 2.34 1.42 0.00 3.03 0.00 -1.26 -5.10 105.19 105.63 2gw6 n GLY 7 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.76 2.61 5.66 -0.81 -4.16 114.28 112.82 2gw6 n THR 8 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 2gw6 n THR 8 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 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 2.67 0.20 1.09 3.76 -1.25 -4.76 115.29 117.00 2gw6 s HIS 9 Ca 0.00 -1.21 -0.11 0.00 -0.15 0.00 0.00 55.06 53.59 2gw6 s HIS 9 Cb 0.00 -1.81 0.23 0.00 1.11 0.00 0.00 32.58 32.12 2gw6 s HIS 9 CO 0.00 -0.54 1.75 -1.00 -0.85 0.00 0.00 174.74 174.10 2gw6 h PRO 10 N 7.18 0.40 -0.68 8.40 0.13 -1.99 0.49 132.00 145.92 2gw6 h PRO 10 Ca -0.30 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2gw6 h PRO 10 Cb 1.20 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2gw6 h PRO 10 CO 0.54 0.26 0.32 0.87 -0.23 0.00 0.00 178.00 179.77 2gw6 h LYS 11 N 0.41 0.97 -0.12 0.86 1.57 -1.97 0.29 116.57 118.58 2gw6 h LYS 11 Ca 0.28 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2gw6 h LYS 11 Cb 0.32 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2gw6 h LYS 11 CO -0.27 0.76 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.36 2gw6 h TYR 12 N 0.97 0.31 -0.40 -1.35 3.20 -1.68 -2.42 116.97 115.61 2gw6 h TYR 12 Ca 0.24 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.08 2gw6 h TYR 12 Cb 0.11 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2gw6 h TYR 12 CO 0.01 0.65 0.07 1.25 -1.64 0.00 0.00 178.16 178.50 2gw6 h LEU 13 N -0.11 -0.01 -0.79 2.82 5.85 0.36 -1.36 115.31 122.06 2gw6 h LEU 13 Ca 0.02 0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.99 2gw6 h LEU 13 Cb 0.58 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 2gw6 h LEU 13 CO 0.02 0.03 0.26 -0.33 -0.34 0.00 0.00 178.44 178.08 2gw6 h GLU 14 N 0.19 0.33 -0.32 1.25 4.39 -0.38 -1.72 114.58 118.32 2gw6 h GLU 14 Ca 0.19 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 2gw6 h GLU 14 Cb 0.24 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2gw6 h GLU 14 CO -0.26 0.22 -0.38 1.98 -1.16 0.00 0.00 179.01 179.41 2gw6 h MET 15 N 0.34 0.76 0.00 2.33 4.05 -0.82 -3.15 114.93 118.44 2gw6 h MET 15 Ca 0.46 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2gw6 h MET 15 Cb 0.81 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2gw6 h MET 15 CO -0.50 1.01 0.00 0.00 0.23 0.00 0.00 176.91 177.64 2gw6 h MET 16 N 0.63 0.00 0.00 0.39 -0.00 -0.39 -3.07 114.93 112.48 2gw6 h MET 16 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2gw6 h MET 16 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 2gw6 h MET 16 CO 0.08 0.00 0.00 0.39 -0.00 0.00 0.00 176.91 177.38 2gw6 n GLU 17 N -2.76 0.16 -1.72 -0.10 1.02 -0.93 -4.75 120.64 111.57 2gw6 n GLU 17 Ca 0.04 0.18 -0.39 0.00 -0.02 0.00 0.00 57.16 56.96 2gw6 n GLU 17 Cb 0.42 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2gw6 n GLU 17 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gw6 n LEU 18 N -1.27 5.09 -0.57 -4.62 4.77 -1.16 -4.87 117.00 114.37 2gw6 n LEU 18 Ca 0.05 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2gw6 n LEU 18 Cb 0.08 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 2gw6 n LEU 18 CO 0.08 -0.83 0.21 0.47 -1.33 0.00 0.00 177.39 175.99 2gw6 n ASP 19 N -0.89 0.94 -0.08 -1.43 9.92 -1.26 -3.96 116.55 119.79 2gw6 n ASP 19 Ca 0.11 -1.48 -0.14 0.00 -0.53 0.00 0.00 54.79 52.74 2gw6 n ASP 19 Cb 0.45 -0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.20 1.24 0.00 0.53 5.41 -1.26 -4.99 119.36 120.49 2gw6 n ILE 20 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2gw6 n ILE 20 Cb 0.21 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 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 1.89 0.63 2.83 7.39 0.00 -1.25 -5.11 105.19 111.57 2gw6 n GLY 21 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.07 2.39 0.42 1.61 2.15 -1.26 -5.00 116.67 115.91 2gw6 s ASP 22 Ca 0.00 -0.47 0.22 0.00 0.43 0.00 0.00 52.55 52.73 2gw6 s ASP 22 Cb 0.00 -0.71 0.86 0.00 -0.30 0.00 0.00 42.92 42.77 2gw6 s ASP 22 CO 0.00 -0.20 1.81 0.00 -0.17 0.00 0.00 175.17 176.61 2gw6 h ALA 23 N 8.21 1.03 -0.14 3.66 0.00 -1.99 -2.95 119.26 127.07 2gw6 h ALA 23 Ca -0.22 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2gw6 h ALA 23 Cb 1.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2gw6 h ALA 23 CO 0.35 0.33 -0.53 1.15 0.00 0.00 0.00 179.25 180.55 2gw6 h THR 24 N 0.00 1.33 -0.01 0.00 2.02 -1.99 -2.58 112.91 111.68 2gw6 h THR 24 Ca -0.00 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 2gw6 h THR 24 Cb 0.78 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2gw6 h THR 24 CO 0.03 0.55 0.00 1.56 0.37 0.00 0.00 175.52 178.04 2gw6 h GLN 25 N 0.27 0.01 -0.52 6.66 1.08 -1.96 -1.27 115.11 119.38 2gw6 h GLN 25 Ca -0.03 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2gw6 h GLN 25 Cb 1.16 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2gw6 h GLN 25 CO 0.11 0.06 0.19 -0.39 -0.95 0.00 0.00 178.83 177.85 2gw6 h VAL 26 N -0.05 1.19 0.37 -0.54 -1.51 -1.55 0.24 116.25 114.41 2gw6 h VAL 26 Ca 0.00 -0.62 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 2gw6 h VAL 26 Cb 0.05 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 2gw6 h VAL 26 CO -0.00 0.24 -0.18 0.22 -1.23 0.00 0.00 177.57 176.62 2gw6 h TYR 27 N 0.74 -0.46 -0.61 5.19 3.20 -1.30 -2.45 116.97 121.27 2gw6 h TYR 27 Ca 0.18 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2gw6 h TYR 27 Cb 0.17 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2gw6 h TYR 27 CO 0.01 -0.16 0.12 0.28 -1.64 0.00 0.00 178.16 176.77 2gw6 h VAL 28 N -1.01 1.26 -0.20 1.81 2.07 -1.12 -2.41 116.25 116.64 2gw6 h VAL 28 Ca -0.05 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2gw6 h VAL 28 Cb 0.51 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2gw6 h VAL 28 CO 0.08 0.36 -0.24 0.00 0.02 0.00 0.00 177.57 177.79 2gw6 h ALA 29 N 1.03 1.21 -0.31 1.67 0.00 -0.64 -2.38 119.26 119.85 2gw6 h ALA 29 Ca 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2gw6 h ALA 29 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2gw6 h ALA 29 CO 0.01 0.51 0.16 0.35 0.00 0.00 0.00 179.25 180.28 2gw6 h PHE 30 N 0.33 0.43 -0.50 0.00 3.57 -0.96 0.25 116.94 120.07 2gw6 h PHE 30 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2gw6 h PHE 30 Cb 0.61 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2gw6 h PHE 30 CO 0.02 0.36 0.32 -0.07 -2.23 0.00 0.00 178.31 176.71 2gw6 h LEU 31 N 0.38 0.59 -0.35 0.59 -0.00 -1.20 -1.13 115.31 114.18 2gw6 h LEU 31 Ca 0.11 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 57.76 2gw6 h LEU 31 Cb 0.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2gw6 h LEU 31 CO -0.02 0.45 -0.70 -0.37 -0.00 0.00 0.00 178.44 177.80 2gw6 h VAL 32 N 0.68 1.33 -0.46 1.22 -1.51 -1.27 -2.39 116.25 113.85 2gw6 h VAL 32 Ca 0.18 -2.00 0.09 0.00 -1.23 0.00 0.00 66.70 63.74 2gw6 h VAL 32 Cb -0.04 1.98 -0.08 0.00 -2.13 0.00 0.00 31.29 31.02 2gw6 h VAL 32 CO -0.04 0.62 -0.03 0.22 -1.23 0.00 0.00 177.57 177.11 2gw6 h TYR 33 N 0.40 -0.09 0.00 5.19 3.20 -0.22 0.22 116.97 125.66 2gw6 h TYR 33 Ca -0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2gw6 h TYR 33 Cb 1.29 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 2gw6 h TYR 33 CO 0.06 -0.13 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.16 2gw6 h LEU 34 N 0.08 0.00 0.01 2.82 4.07 -1.12 -1.24 115.31 119.93 2gw6 h LEU 34 Ca 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 2gw6 h LEU 34 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2gw6 h LEU 34 CO -0.41 0.21 -0.00 -0.78 -1.08 0.00 0.00 178.44 176.38 2gw6 h ASP 35 N 0.00 -0.01 -0.47 -0.43 1.82 -0.56 -1.59 116.42 115.18 2gw6 h ASP 35 Ca -0.00 -0.66 0.08 0.00 -0.39 0.00 0.00 57.03 56.06 2gw6 h ASP 35 Cb 0.39 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 2gw6 h ASP 35 CO 0.03 0.66 0.09 -0.07 -1.61 0.00 0.00 179.24 178.34 2gw6 h LEU 36 N -0.68 0.01 0.11 2.28 3.38 -0.53 0.46 115.31 120.33 2gw6 h LEU 36 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2gw6 h LEU 36 Cb 0.66 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2gw6 h LEU 36 CO 0.00 0.03 -0.05 0.24 0.09 0.00 0.00 178.44 178.75 2gw6 h MET 37 N 0.23 -0.14 0.00 1.13 2.86 -1.29 0.41 114.93 118.13 2gw6 h MET 37 Ca 0.23 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 2gw6 h MET 37 Cb 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2gw6 h MET 37 CO -0.30 0.30 -1.28 0.93 1.06 0.00 0.00 176.91 177.62 2gw6 h GLU 38 N -0.65 0.00 0.00 1.72 4.39 -1.18 -3.29 114.58 115.57 2gw6 h GLU 38 Ca -0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2gw6 h GLU 38 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2gw6 h GLU 38 CO 0.03 0.27 -0.74 0.43 -1.16 0.00 0.00 179.01 177.84 2gw6 n SER 39 N -2.89 1.25 0.18 1.42 7.64 0.14 -4.72 113.62 116.64 2gw6 n SER 39 Ca -0.07 0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.13 2gw6 n SER 39 Cb 0.79 -0.45 0.32 0.00 -1.01 0.00 0.00 64.21 63.87 2gw6 n SER 39 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gw6 h LYS 40 N -0.39 0.00 -4.95 1.43 3.64 -0.90 -3.49 116.57 111.90 2gw6 h LYS 40 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2gw6 h LYS 40 Cb 0.63 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 2gw6 h LYS 40 CO -0.05 0.00 -0.89 0.45 -2.27 0.00 0.00 179.45 176.69 2gw6 n SER 41 N -2.78 -4.55 -4.61 4.20 2.88 0.14 -4.99 113.62 103.92 2gw6 n SER 41 Ca 0.04 1.41 -0.24 0.00 -1.33 0.00 0.00 58.87 58.75 2gw6 n SER 41 Cb 0.45 -4.06 -0.09 0.00 -0.75 0.00 0.00 64.21 59.77 2gw6 n SER 41 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2gw6 s TRP 42 N -0.43 2.53 0.05 0.66 0.52 -1.19 -4.98 118.94 116.10 2gw6 s TRP 42 Ca -0.10 -0.41 0.09 0.00 0.02 0.00 0.00 56.10 55.70 2gw6 s TRP 42 Cb 0.01 -1.41 -0.20 0.00 -1.15 0.00 0.00 33.47 30.72 2gw6 s TRP 42 CO 0.28 0.52 1.10 1.25 0.02 0.00 0.00 176.95 180.12 2gw6 h HIS 43 N 1.87 0.00 -2.26 -1.98 -0.00 -1.19 -3.46 115.15 108.12 2gw6 h HIS 43 Ca -0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.92 2gw6 h HIS 43 Cb 1.25 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.43 2gw6 h HIS 43 CO 0.71 0.95 -0.16 -2.00 -0.00 0.00 0.00 177.93 177.44 2gw6 s GLU 44 N -2.70 0.54 -0.11 5.26 2.56 -0.44 -4.94 118.70 118.86 2gw6 s GLU 44 Ca -0.01 1.12 0.00 0.00 0.00 0.00 0.00 54.97 56.08 2gw6 s GLU 44 Cb 0.09 0.25 0.02 0.00 2.00 0.00 0.00 34.13 36.50 2gw6 s GLU 44 CO 0.82 -0.18 -0.10 0.08 -0.56 0.00 0.00 175.26 175.32 2gw6 s VAL 45 N 1.94 1.15 0.20 3.70 1.01 -1.26 -1.46 120.40 125.68 2gw6 s VAL 45 Ca -0.08 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2gw6 s VAL 45 Cb -0.08 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2gw6 s VAL 45 CO -0.17 0.38 -0.20 0.20 0.00 0.00 0.00 175.10 175.31 2gw6 s ASN 46 N 1.49 3.11 -0.19 3.32 0.01 -0.79 -4.96 114.94 116.93 2gw6 s ASN 46 Ca 0.02 -0.91 0.01 0.00 -0.71 0.00 0.00 52.86 51.27 2gw6 s ASN 46 Cb -0.13 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.34 2gw6 s ASN 46 CO -0.07 0.03 -0.18 0.00 -1.51 0.00 0.00 177.10 175.37 2gw6 s VAL 48 N 1.29 1.57 -0.22 0.00 1.01 0.10 -4.96 120.40 119.19 2gw6 s VAL 48 Ca 0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2gw6 s VAL 48 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2gw6 s VAL 48 CO -0.12 0.45 0.09 -0.83 0.00 0.00 0.00 175.10 174.70 2gw6 s GLY 49 N 0.24 1.88 -0.67 4.51 0.00 -1.26 -0.73 107.32 111.29 2gw6 s GLY 49 Ca -0.10 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.67 2gw6 s GLY 49 CO 0.04 0.30 0.51 1.08 0.00 0.00 0.00 173.10 175.03 2gw6 s LEU 50 N 0.96 5.51 0.52 0.66 2.01 0.37 -4.92 118.68 123.78 2gw6 s LEU 50 Ca 0.05 -2.86 0.30 0.00 0.01 0.00 0.00 54.13 51.63 2gw6 s LEU 50 Cb -0.14 -1.92 1.35 0.00 0.01 0.00 0.00 46.19 45.50 2gw6 s LEU 50 CO 0.03 -0.40 2.00 -0.65 1.01 0.00 0.00 176.35 178.34 2gw6 h PRO 51 N 7.12 0.00 -0.37 1.29 0.11 -1.94 0.14 132.00 138.35 2gw6 h PRO 51 Ca 0.01 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 2gw6 h PRO 51 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2gw6 h PRO 51 CO 0.72 0.11 0.05 0.93 -0.21 0.00 0.00 178.00 179.60 2gw6 h GLU 52 N 0.00 0.63 0.00 1.05 5.08 -1.92 -3.08 114.58 116.34 2gw6 h GLU 52 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2gw6 h GLU 52 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2gw6 h GLU 52 CO 0.01 0.70 -1.10 -0.11 -1.00 0.00 0.00 179.01 177.51 2gw6 n LEU 53 N -4.53 0.63 -0.47 1.33 7.94 -1.05 -4.96 117.00 115.88 2gw6 n LEU 53 Ca -0.01 -0.15 -0.05 0.00 -1.11 0.00 0.00 56.01 54.70 2gw6 n LEU 53 Cb 0.24 -0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 2gw6 n LEU 53 CO 0.39 0.10 -0.06 1.67 -1.11 0.00 0.00 177.39 178.38 2gw6 n GLN 54 N -1.84 -0.37 -4.33 1.96 0.00 0.44 -5.04 117.38 108.21 2gw6 n GLN 54 Ca 0.02 0.43 -0.29 0.00 -0.00 0.00 0.00 57.00 57.16 2gw6 n GLN 54 Cb 0.42 -4.17 -0.11 0.00 0.00 0.00 0.00 30.24 26.38 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2gw6 s LEU 55 N -1.27 2.65 0.08 1.69 2.01 -0.87 -5.00 118.68 117.97 2gw6 s LEU 55 Ca 0.00 -0.64 0.10 0.00 0.01 0.00 0.00 54.13 53.60 2gw6 s LEU 55 Cb 0.00 -1.46 -0.03 0.00 0.01 0.00 0.00 46.19 44.71 2gw6 s LEU 55 CO 0.00 0.16 -0.27 -0.63 1.01 0.00 0.00 176.35 176.62 2gw6 s ILE 56 N -1.30 2.18 0.05 -0.59 1.01 -1.26 -0.48 121.20 120.80 2gw6 s ILE 56 Ca 0.19 -1.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 2gw6 s ILE 56 Cb -0.10 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2gw6 s ILE 56 CO 0.10 0.26 0.38 0.00 0.00 0.00 0.00 174.94 175.68 2gw6 s LEU 58 N -2.04 3.87 -0.04 0.00 1.02 -0.48 0.01 118.68 121.01 2gw6 s LEU 58 Ca -0.05 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.00 2gw6 s LEU 58 Cb -0.01 -2.05 0.01 0.00 0.02 0.00 0.00 46.19 44.16 2gw6 s LEU 58 CO -0.03 -0.06 -0.08 -0.69 0.02 0.00 0.00 176.35 175.51 2gw6 s VAL 59 N 1.70 0.75 0.00 -1.59 1.01 -0.59 -1.01 120.40 120.67 2gw6 s VAL 59 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2gw6 s VAL 59 Cb -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2gw6 s VAL 59 CO 0.08 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2gw6 n GLY 60 N 3.67 2.66 3.30 4.51 0.00 -1.20 -1.89 105.19 116.25 2gw6 n GLY 60 Ca -0.22 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.91 3.57 0.24 2.61 -4.23 -0.53 -4.09 115.64 111.29 2gw6 s THR 61 Ca 0.00 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2gw6 s THR 61 Cb 0.00 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 71.14 2gw6 s THR 61 CO 0.00 0.20 1.70 -0.08 -0.54 0.00 0.00 174.62 175.90 2gw6 h GLU 62 N 8.15 0.73 -3.45 3.99 4.81 -1.89 -1.00 114.58 125.91 2gw6 h GLU 62 Ca -0.34 -0.25 -0.38 0.00 -0.13 0.00 0.00 59.36 58.26 2gw6 h GLU 62 Cb 1.13 -0.06 -0.38 0.00 0.63 0.00 0.00 28.75 30.07 2gw6 h GLU 62 CO 0.59 0.83 -0.75 0.42 -0.73 0.00 0.00 179.01 179.38 2gw6 s ILE 63 N -4.75 0.04 -0.31 2.32 -1.09 -1.26 -2.68 121.20 113.47 2gw6 s ILE 63 Ca -0.09 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.36 2gw6 s ILE 63 Cb 0.14 -0.26 -0.00 0.00 -1.58 0.00 0.00 42.46 40.76 2gw6 s ILE 63 CO 0.82 0.20 1.37 -0.70 -1.23 0.00 0.00 174.94 175.39 2gw6 s GLU 64 N 1.99 3.83 0.00 2.79 2.12 -1.26 -2.20 118.70 125.97 2gw6 s GLU 64 Ca 0.03 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.61 2gw6 s GLU 64 Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2gw6 s GLU 64 CO -0.04 -1.23 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 2gw6 n GLY 65 N 4.51 1.51 0.00 -1.50 0.00 -1.26 -5.08 105.19 103.37 2gw6 n GLY 65 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gw6 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gw6 n GLU 66 N 0.00 1.76 -0.84 1.61 1.02 -0.93 -5.06 120.64 118.19 2gw6 n GLU 66 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gw6 n GLU 66 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw6 n GLY 67 N 5.00 -0.61 2.55 0.62 0.00 -1.26 -4.98 105.19 106.50 2gw6 n GLY 67 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2gw6 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gw6 s LEU 68 N -0.04 1.25 -0.30 0.99 1.02 -1.26 -5.05 118.68 115.29 2gw6 s LEU 68 Ca 0.00 -1.97 -0.07 0.00 0.02 0.00 0.00 54.13 52.11 2gw6 s LEU 68 Cb 0.00 -0.53 0.15 0.00 0.02 0.00 0.00 46.19 45.84 2gw6 s LEU 68 CO -0.00 -0.35 0.65 -1.58 0.02 0.00 0.00 176.35 175.09 2gw6 s GLN 69 N 1.28 0.57 -0.06 1.70 2.00 -1.26 -4.86 119.66 119.03 2gw6 s GLN 69 Ca 0.15 1.28 -0.01 0.00 -2.00 0.00 0.00 55.36 54.77 2gw6 s GLN 69 Cb -0.21 0.75 0.03 0.00 0.80 0.00 0.00 33.01 34.38 2gw6 s GLN 69 CO -0.11 -0.34 0.01 0.99 -0.50 0.00 0.00 175.29 175.34 2gw6 s THR 70 N 2.88 0.24 -0.07 -0.34 2.01 -1.26 -3.25 115.64 115.85 2gw6 s THR 70 Ca 0.03 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2gw6 s THR 70 Cb -0.13 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 2gw6 s THR 70 CO -0.20 0.22 -0.24 0.68 -0.69 0.00 0.00 174.62 174.40 2gw6 s VAL 71 N 1.80 2.00 -0.04 3.82 -7.23 -0.18 -1.39 120.40 119.18 2gw6 s VAL 71 Ca 0.02 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2gw6 s VAL 71 Cb -0.13 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2gw6 s VAL 71 CO -0.04 0.55 -0.24 0.68 -0.31 0.00 0.00 175.10 175.75 2gw6 s VAL 72 N 0.06 2.20 -0.05 1.32 -7.23 -1.02 -1.38 120.40 114.30 2gw6 s VAL 72 Ca -0.10 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 2gw6 s VAL 72 Cb -0.15 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2gw6 s VAL 72 CO 0.06 0.58 1.24 -2.16 -0.31 0.00 0.00 175.10 174.50 2gw6 s PRO 73 N -0.42 4.33 -0.17 4.82 0.04 -1.26 -1.46 135.00 140.88 2gw6 s PRO 73 Ca 0.04 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 2gw6 s PRO 73 Cb -0.12 -3.57 0.06 0.00 0.04 0.00 0.00 34.50 30.91 2gw6 s PRO 73 CO 0.01 -0.49 0.08 0.99 0.04 0.00 0.00 177.00 177.64 2gw6 s THR 74 N 2.34 -0.01 0.64 1.26 2.01 0.29 -4.92 115.64 117.26 2gw6 s THR 74 Ca 0.57 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2gw6 s THR 74 Cb -0.26 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2gw6 s THR 74 CO 0.22 -0.26 1.16 -2.16 -0.69 0.00 0.00 174.62 172.89 2gw6 s PRO 75 N 2.10 2.75 0.63 4.92 0.04 -1.26 -1.35 135.00 142.82 2gw6 s PRO 75 Ca 0.02 1.63 0.39 0.00 0.04 0.00 0.00 61.00 63.08 2gw6 s PRO 75 Cb -0.16 -1.92 2.14 0.00 0.04 0.00 0.00 34.50 34.60 2gw6 s PRO 75 CO -0.09 -1.34 2.20 0.97 0.04 0.00 0.00 177.00 178.79 2gw6 h ILE 76 N 0.32 0.00 -0.51 0.56 -0.00 -1.06 0.35 117.51 117.18 2gw6 h ILE 76 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.38 2gw6 h ILE 76 Cb 1.27 0.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.97 2gw6 h ILE 76 CO 0.54 0.00 0.00 0.41 -0.00 0.00 0.00 178.15 179.10 2gw6 n THR 77 N -2.94 1.41 -2.83 2.19 -1.04 -1.26 -4.95 114.28 104.86 2gw6 n THR 77 Ca -0.03 -1.17 -0.30 0.00 -2.04 0.00 0.00 64.05 60.51 2gw6 n THR 77 Cb 0.12 0.30 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 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 -1.48 3.36 -0.23 2.41 0.00 0.11 -5.05 121.76 120.87 2gw6 s ALA 78 Ca 0.40 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 2gw6 s ALA 78 Cb 0.24 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 2gw6 s ALA 78 CO 0.21 -0.05 0.03 -1.54 0.00 0.00 0.00 175.76 174.41 2gw6 s SER 79 N -3.27 4.88 -0.22 0.00 1.04 -1.26 -4.95 113.70 109.92 2gw6 s SER 79 Ca 0.51 -0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.53 2gw6 s SER 79 Cb -0.10 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 2gw6 s SER 79 CO 0.33 -0.01 0.41 -0.22 0.98 0.00 0.00 173.24 174.73 2gw6 s LEU 80 N 1.48 4.12 0.13 2.42 2.96 -1.26 -5.05 118.68 123.47 2gw6 s LEU 80 Ca 0.06 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 2gw6 s LEU 80 Cb -0.15 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2gw6 s LEU 80 CO 0.02 -0.13 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.40 2gw6 s SER 81 N 1.23 4.50 0.54 3.68 0.01 -1.26 -4.97 113.70 117.42 2gw6 s SER 81 Ca 0.19 -0.39 0.28 0.00 1.31 0.00 0.00 55.95 57.33 2gw6 s SER 81 Cb -0.15 -0.89 1.52 0.00 0.21 0.00 0.00 66.02 66.71 2gw6 s SER 81 CO 0.09 0.15 2.10 1.12 0.41 0.00 0.00 173.24 177.11 2gw6 h HIS 82 N 3.34 0.00 -0.18 2.43 2.07 -1.99 -1.09 115.15 119.73 2gw6 h HIS 82 Ca -0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.03 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 0.61 0.10 0.07 -0.97 -3.07 0.00 0.00 177.93 174.67 2gw6 h ASN 83 N 0.00 0.25 -0.57 3.10 -1.24 -2.00 -2.59 115.58 112.53 2gw6 h ASN 83 Ca -0.00 -0.18 -0.04 0.00 0.71 0.00 0.00 56.30 56.80 2gw6 h ASN 83 Cb 0.28 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2gw6 h ASN 83 CO 0.01 0.36 0.22 -0.09 -1.29 0.00 0.00 177.43 176.63 2gw6 h ARG 84 N 0.12 0.85 -0.48 6.67 2.43 -1.62 -2.60 114.38 119.75 2gw6 h ARG 84 Ca 0.06 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2gw6 h ARG 84 Cb 0.19 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2gw6 h ARG 84 CO -0.00 0.74 0.01 -0.84 -1.51 0.00 0.00 179.97 178.37 2gw6 h ILE 85 N 0.78 1.24 0.00 1.20 3.07 -1.28 0.27 117.51 122.78 2gw6 h ILE 85 Ca 0.19 -0.99 -0.07 0.00 1.55 0.00 0.00 64.86 65.54 2gw6 h ILE 85 Cb 0.22 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 37.62 2gw6 h ILE 85 CO -0.01 0.35 -0.32 0.08 -1.05 0.00 0.00 178.15 177.20 2gw6 h ARG 86 N 0.75 0.00 -0.25 0.16 -0.00 -1.30 0.21 114.38 113.96 2gw6 h ARG 86 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.94 2gw6 h ARG 86 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 2gw6 h ARG 86 CO 0.02 0.32 -0.59 0.93 -0.00 0.00 0.00 179.97 180.65 2gw6 h GLU 87 N 0.00 0.80 -0.38 0.08 4.39 -0.80 -2.00 114.58 116.67 2gw6 h GLU 87 Ca -0.00 -0.53 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 2gw6 h GLU 87 Cb 0.61 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2gw6 h GLU 87 CO 0.04 1.16 0.08 0.82 -1.16 0.00 0.00 179.01 179.96 2gw6 h ILE 88 N 0.60 1.23 -0.53 3.13 2.04 0.26 0.64 117.51 124.89 2gw6 h ILE 88 Ca 0.00 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.16 2gw6 h ILE 88 Cb 1.19 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 2gw6 h ILE 88 CO 0.13 0.27 0.09 -0.07 0.00 0.00 0.00 178.15 178.57 2gw6 h LEU 89 N 0.46 -0.03 -0.77 1.44 3.38 -0.61 -0.06 115.31 119.13 2gw6 h LEU 89 Ca 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2gw6 h LEU 89 Cb 0.32 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2gw6 h LEU 89 CO 0.00 0.01 0.44 0.50 0.09 0.00 0.00 178.44 179.49 2gw6 h LYS 90 N 0.23 1.07 0.22 1.13 3.64 -0.80 0.13 116.57 122.18 2gw6 h LYS 90 Ca 0.27 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2gw6 h LYS 90 Cb 0.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2gw6 h LYS 90 CO -0.36 0.77 -0.10 0.00 -2.27 0.00 0.00 179.45 177.49 2gw6 h ALA 91 N 1.23 -0.29 -0.46 5.00 0.00 -0.10 -1.37 119.26 123.27 2gw6 h ALA 91 Ca 0.27 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2gw6 h ALA 91 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2gw6 h ALA 91 CO -0.05 -0.66 -0.13 0.77 0.00 0.00 0.00 179.25 179.18 2gw6 h SER 92 N -0.30 0.91 -0.63 0.00 0.02 -0.77 -2.00 113.55 110.78 2gw6 h SER 92 Ca -0.03 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 2gw6 h SER 92 Cb 0.23 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2gw6 h SER 92 CO 0.05 1.07 0.26 0.03 -1.14 0.00 0.00 176.83 177.10 2gw6 h ARG 93 N 0.74 0.96 0.00 3.45 3.08 -0.69 -0.25 114.38 121.67 2gw6 h ARG 93 Ca 0.11 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2gw6 h ARG 93 Cb 0.68 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2gw6 h ARG 93 CO 0.05 0.79 -0.58 1.57 -1.07 0.00 0.00 179.97 180.72 2gw6 h LYS 94 N 0.95 0.00 -0.36 0.04 2.10 -1.12 0.13 116.57 118.31 2gw6 h LYS 94 Ca 0.22 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.74 2gw6 h LYS 94 Cb 0.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2gw6 h LYS 94 CO -0.02 0.58 -0.31 1.25 -2.00 0.00 0.00 179.45 178.95 2gw6 h LEU 95 N 0.00 0.89 -1.49 7.07 7.12 -0.69 -2.77 115.31 125.44 2gw6 h LEU 95 Ca -0.01 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2gw6 h LEU 95 Cb 1.30 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2gw6 h LEU 95 CO 0.08 1.16 0.00 0.00 -0.13 0.00 0.00 178.44 179.55 2gw6 n GLN 96 N -4.16 1.99 -3.42 1.25 6.02 -0.17 -4.95 117.38 113.94 2gw6 n GLN 96 Ca -0.03 -1.48 -0.20 0.00 -0.01 0.00 0.00 57.00 55.29 2gw6 n GLN 96 Cb 0.50 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 30.38 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gw6 n GLY 97 N 1.26 -0.33 2.78 1.08 0.00 -0.59 -5.03 105.19 104.37 2gw6 n GLY 97 Ca 0.17 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.37 1.86 0.00 1.61 -1.08 0.37 -5.01 116.67 111.05 2gw6 s ASP 98 Ca 0.45 -0.22 0.29 0.00 -0.52 0.00 0.00 52.55 52.56 2gw6 s ASP 98 Cb -0.20 -0.52 1.33 0.00 -1.46 0.00 0.00 42.92 42.07 2gw6 s ASP 98 CO 0.63 -0.20 1.91 -0.81 0.52 0.00 0.00 175.17 177.22 2gw6 n PRO 99 N 5.11 0.98 0.00 4.34 -0.04 -1.26 -4.42 135.00 139.71 2gw6 n PRO 99 Ca -0.08 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 2gw6 n PRO 99 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.71 0.07 -4.68 3.54 5.68 -1.26 -5.06 116.55 114.13 2gw6 n ASP 100 Ca 0.18 -0.57 -0.42 0.00 -0.50 0.00 0.00 54.79 53.47 2gw6 n ASP 100 Cb 0.26 0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.27 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2gw6 s LEU 101 N -0.12 4.31 -0.41 -2.12 2.96 -1.26 -4.94 118.68 117.09 2gw6 s LEU 101 Ca 0.00 2.09 -0.29 0.00 -0.22 0.00 0.00 54.13 55.71 2gw6 s LEU 101 Cb 0.00 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.14 2gw6 s LEU 101 CO 0.00 -0.73 1.43 -2.84 -1.32 0.00 0.00 176.35 172.89 2gw6 s PRO 102 N 2.59 3.56 0.48 0.98 0.02 -1.26 -4.96 135.00 136.40 2gw6 s PRO 102 Ca 0.64 0.96 0.01 0.00 0.02 0.00 0.00 61.00 62.63 2gw6 s PRO 102 Cb -0.31 -4.04 -0.00 0.00 0.02 0.00 0.00 34.50 30.17 2gw6 s PRO 102 CO 0.26 -1.58 0.03 -0.12 -0.33 0.00 0.00 177.00 175.25 2gw6 n MET 103 N 8.10 0.75 -4.15 5.54 1.56 -1.26 -5.00 117.12 122.66 2gw6 n MET 103 Ca 0.17 -3.60 -0.12 0.00 -0.27 0.00 0.00 57.70 53.88 2gw6 n MET 103 Cb 0.48 1.14 -0.09 0.00 2.15 0.00 0.00 33.22 36.90 2gw6 n MET 103 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2gw6 s SER 104 N -3.70 0.17 0.05 6.12 1.04 -1.26 -3.42 113.70 112.70 2gw6 s SER 104 Ca 0.04 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 55.01 2gw6 s SER 104 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2gw6 s SER 104 CO 0.03 -0.93 0.38 0.72 0.98 0.00 0.00 173.24 174.41 2gw6 s PHE 105 N -4.07 -0.21 0.08 5.02 -0.71 -0.99 -4.73 117.98 112.37 2gw6 s PHE 105 Ca 0.35 0.11 -0.10 0.00 -1.04 0.00 0.00 56.93 56.24 2gw6 s PHE 105 Cb 0.05 0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.98 2gw6 s PHE 105 CO 0.12 -0.56 0.41 0.99 -1.34 0.00 0.00 175.22 174.84 2gw6 s THR 106 N -2.63 5.07 -0.20 -4.49 2.01 -0.49 -1.82 115.64 113.09 2gw6 s THR 106 Ca -0.04 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2gw6 s THR 106 Cb -0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2gw6 s THR 106 CO -0.04 0.31 0.20 -0.76 -0.69 0.00 0.00 174.62 173.64 2gw6 s LEU 107 N -1.85 4.19 -0.49 4.42 1.43 0.12 -2.42 118.68 124.08 2gw6 s LEU 107 Ca 0.33 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2gw6 s LEU 107 Cb -0.14 -2.20 0.12 0.00 0.03 0.00 0.00 46.19 43.99 2gw6 s LEU 107 CO 0.18 0.11 0.39 0.00 0.23 0.00 0.00 176.35 177.26 2gw6 s ALA 108 N 0.63 3.47 -0.24 4.21 0.00 -0.54 -0.35 121.76 128.95 2gw6 s ALA 108 Ca 0.11 -2.51 -0.21 0.00 0.00 0.00 0.00 51.96 49.36 2gw6 s ALA 108 Cb -0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2gw6 s ALA 108 CO 0.02 -1.92 0.63 0.42 0.00 0.00 0.00 175.76 174.91 2gw6 s ILE 109 N 1.45 4.99 -0.25 0.00 1.01 0.08 -0.55 121.20 127.93 2gw6 s ILE 109 Ca 0.05 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.84 2gw6 s ILE 109 Cb -0.27 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.28 2gw6 s ILE 109 CO 0.01 0.05 -0.07 0.54 0.00 0.00 0.00 174.94 175.47 2gw6 s VAL 110 N 2.34 2.82 0.74 2.92 0.11 -0.46 0.69 120.40 129.56 2gw6 s VAL 110 Ca 0.27 -1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.17 2gw6 s VAL 110 Cb -0.16 -2.43 0.04 0.00 -1.53 0.00 0.00 36.38 32.30 2gw6 s VAL 110 CO 0.09 0.20 1.08 -0.70 -3.33 0.00 0.00 175.10 172.43 2gw6 s GLU 111 N 1.31 2.54 0.15 1.54 2.12 0.47 -0.39 118.70 126.44 2gw6 s GLU 111 Ca -0.00 0.97 0.22 0.00 0.36 0.00 0.00 54.97 56.52 2gw6 s GLU 111 Cb -0.17 -1.94 0.87 0.00 0.26 0.00 0.00 34.13 33.15 2gw6 s GLU 111 CO -0.05 -1.39 1.67 0.45 -0.54 0.00 0.00 175.26 175.40 2gw6 n SER 112 N -3.33 0.42 -1.01 -1.70 2.88 -1.26 -1.14 113.62 108.49 2gw6 n SER 112 Ca 0.08 0.59 0.05 0.00 -1.33 0.00 0.00 58.87 58.25 2gw6 n SER 112 Cb 0.54 -0.68 0.20 0.00 -0.75 0.00 0.00 64.21 63.51 2gw6 n SER 112 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gw6 n ASP 113 N -1.95 2.88 -1.52 -3.46 9.92 -1.26 -4.87 116.55 116.29 2gw6 n ASP 113 Ca 0.03 -2.27 -0.13 0.00 -0.53 0.00 0.00 54.79 51.89 2gw6 n ASP 113 Cb 0.25 -0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 40.27 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2gw6 n SER 114 N 0.47 -4.15 -4.51 -2.24 7.64 -0.29 -4.98 113.62 105.56 2gw6 n SER 114 Ca 0.14 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 2gw6 n SER 114 Cb 0.57 -3.33 -0.08 0.00 -1.01 0.00 0.00 64.21 60.36 2gw6 n SER 114 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gw6 s THR 115 N -2.66 5.04 -0.23 0.44 2.01 -1.22 -4.86 115.64 114.15 2gw6 s THR 115 Ca 0.00 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 2gw6 s THR 115 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2gw6 s THR 115 CO 0.00 -0.39 0.60 -0.63 -0.69 0.00 0.00 174.62 173.51 2gw6 s ILE 116 N 2.29 5.02 -0.25 1.82 1.09 -1.25 -0.40 121.20 129.52 2gw6 s ILE 116 Ca 0.15 1.09 0.01 0.00 -1.10 0.00 0.00 60.65 60.80 2gw6 s ILE 116 Cb -0.16 -3.91 0.04 0.00 -1.06 0.00 0.00 42.46 37.37 2gw6 s ILE 116 CO 0.14 0.08 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.28 2gw6 s VAL 117 N 2.18 2.48 -0.32 2.92 1.01 0.22 -4.93 120.40 123.96 2gw6 s VAL 117 Ca 0.26 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 2gw6 s VAL 117 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2gw6 s VAL 117 CO 0.09 0.12 0.98 -0.31 0.00 0.00 0.00 175.10 175.97 2gw6 s TYR 118 N 1.22 3.16 -0.23 5.22 1.51 -1.26 -0.74 117.35 126.22 2gw6 s TYR 118 Ca -0.04 1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 57.05 2gw6 s TYR 118 Cb -0.18 -3.55 0.02 0.00 -0.11 0.00 0.00 41.96 38.14 2gw6 s TYR 118 CO -0.06 -0.72 -0.08 -0.47 -1.11 0.00 0.00 175.55 173.11 2gw6 s TYR 119 N 3.43 3.00 -0.29 2.71 5.04 0.52 -4.95 117.35 126.82 2gw6 s TYR 119 Ca 0.41 -1.50 -0.20 0.00 -2.44 0.00 0.00 57.07 53.33 2gw6 s TYR 119 Cb -0.13 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.13 2gw6 s TYR 119 CO 0.15 -0.72 0.64 0.21 -1.34 0.00 0.00 175.55 174.49 2gw6 s LYS 120 N 1.34 3.98 -0.08 4.97 2.36 -1.26 0.12 119.74 131.17 2gw6 s LYS 120 Ca 0.02 0.41 -0.00 0.00 -2.55 0.00 0.00 55.97 53.84 2gw6 s LYS 120 Cb -0.16 -3.70 -0.03 0.00 -1.05 0.00 0.00 37.83 32.90 2gw6 s LYS 120 CO -0.06 -0.52 -0.06 -1.17 1.55 0.00 0.00 175.35 175.10 2gw6 s LEU 121 N 2.59 3.23 0.18 5.43 0.20 -0.76 -4.98 118.68 124.57 2gw6 s LEU 121 Ca 0.26 -0.01 0.11 0.00 0.69 0.00 0.00 54.13 55.17 2gw6 s LEU 121 Cb -0.15 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 2gw6 s LEU 121 CO 0.11 0.34 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.38 2gw6 s THR 122 N -0.67 2.25 -2.00 3.68 2.01 -1.26 -2.33 115.64 117.31 2gw6 s THR 122 Ca 0.10 -1.95 0.11 0.00 0.31 0.00 0.00 61.69 60.26 2gw6 s THR 122 Cb -0.11 -2.05 0.32 0.00 0.01 0.00 0.00 72.50 70.67 2gw6 s THR 122 CO 0.02 -0.10 1.10 -0.90 -0.69 0.00 0.00 174.62 174.05