#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cg3 n THR 21 N 0.00 1.53 -3.95 1.09 -2.24 -1.26 -4.95 114.28 104.50 2cg3 n THR 21 Ca 0.00 -2.71 -0.23 0.00 -2.27 0.00 0.00 64.05 58.84 2cg3 n THR 21 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 2cg3 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cg3 s ALA 22 N -2.40 3.69 0.20 6.98 0.00 -1.26 -4.99 121.76 123.98 2cg3 s ALA 22 Ca 0.38 -1.87 -0.32 0.00 0.00 0.00 0.00 51.96 50.15 2cg3 s ALA 22 Cb 0.38 -0.80 -0.15 0.00 0.00 0.00 0.00 23.12 22.56 2cg3 s ALA 22 CO -0.08 -0.06 1.30 -2.30 0.00 0.00 0.00 175.76 174.62 2cg3 n PRO 23 N -1.29 1.62 -2.75 0.00 -0.02 -1.26 -4.99 135.00 126.31 2cg3 n PRO 23 Ca -0.01 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.82 2cg3 n PRO 23 Cb 0.62 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2cg3 n PRO 23 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2cg3 s LYS 24 N -0.34 2.81 0.58 -0.52 -0.14 -1.26 -5.09 119.74 115.79 2cg3 s LYS 24 Ca 0.71 -0.53 -0.18 0.00 -1.36 0.00 0.00 55.97 54.61 2cg3 s LYS 24 Cb -0.75 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2cg3 s LYS 24 CO 0.50 -0.53 1.11 -2.14 -0.76 0.00 0.00 175.35 173.53 2cg3 s PRO 25 N -4.71 3.21 0.03 -1.68 0.02 -1.26 -4.95 135.00 125.66 2cg3 s PRO 25 Ca 0.53 1.49 -0.38 0.00 0.02 0.00 0.00 61.00 62.66 2cg3 s PRO 25 Cb -0.10 -2.00 -0.18 0.00 0.02 0.00 0.00 34.50 32.25 2cg3 s PRO 25 CO 0.39 -0.94 1.31 -2.30 -0.33 0.00 0.00 177.00 175.13 2cg3 n PRO 26 N -1.69 0.85 -0.99 5.54 -0.01 -1.26 -4.96 135.00 132.47 2cg3 n PRO 26 Ca 0.11 0.31 -0.31 0.00 -0.01 0.00 0.00 63.50 63.60 2cg3 n PRO 26 Cb 0.52 -1.91 0.14 0.00 -0.01 0.00 0.00 33.50 32.23 2cg3 n PRO 26 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 2cg3 s SER 27 N 0.62 3.48 0.45 2.55 1.04 -1.26 -4.77 113.70 115.82 2cg3 s SER 27 Ca 0.87 1.87 0.28 0.00 0.48 0.00 0.00 55.95 59.45 2cg3 s SER 27 Cb -1.05 -2.46 1.34 0.00 0.10 0.00 0.00 66.02 63.95 2cg3 s SER 27 CO 0.51 -2.69 1.73 0.00 0.98 0.00 0.00 173.24 173.77 2cg3 h ALA 28 N -1.59 2.68 -0.22 5.32 0.00 -1.99 0.39 119.26 123.85 2cg3 h ALA 28 Ca -0.46 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 2cg3 h ALA 28 Cb 1.26 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.16 2cg3 h ALA 28 CO 0.48 -1.14 -0.67 0.74 0.00 0.00 0.00 179.25 178.66 2cg3 h PHE 29 N 0.19 1.08 -0.40 0.00 0.04 -1.97 -1.86 116.94 114.02 2cg3 h PHE 29 Ca 0.67 -0.43 -0.13 0.00 2.80 0.00 0.00 57.97 60.87 2cg3 h PHE 29 Cb 2.11 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 40.07 2cg3 h PHE 29 CO -0.00 1.26 -0.28 1.15 -0.60 0.00 0.00 178.31 179.84 2cg3 h THR 30 N 0.60 1.28 -0.26 -1.55 2.02 -1.73 0.18 112.91 113.45 2cg3 h THR 30 Ca -0.02 -1.44 0.06 0.00 0.77 0.00 0.00 66.41 65.78 2cg3 h THR 30 Cb 1.29 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 2cg3 h THR 30 CO 0.14 0.48 -0.16 0.58 0.37 0.00 0.00 175.52 176.93 2cg3 h VAL 31 N 0.70 0.53 -0.66 3.16 2.07 -0.90 0.58 116.25 121.73 2cg3 h VAL 31 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2cg3 h VAL 31 Cb 0.86 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2cg3 h VAL 31 CO 0.07 0.00 0.40 -0.08 0.02 0.00 0.00 177.57 177.99 2cg3 h GLU 32 N -0.14 0.90 -0.58 1.57 4.22 -0.96 -1.05 114.58 118.54 2cg3 h GLU 32 Ca 0.14 -0.08 0.09 0.00 0.08 0.00 0.00 59.36 59.60 2cg3 h GLU 32 Cb 0.36 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2cg3 h GLU 32 CO -0.35 0.63 0.18 0.00 -2.18 0.00 0.00 179.01 177.30 2cg3 h ALA 33 N 1.21 0.72 -0.76 2.92 0.00 0.10 0.36 119.26 123.81 2cg3 h ALA 33 Ca 0.24 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2cg3 h ALA 33 Cb -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2cg3 h ALA 33 CO -0.05 -0.24 0.50 1.96 0.00 0.00 0.00 179.25 181.43 2cg3 h GLN 34 N 0.35 1.00 -0.62 0.00 1.08 -0.19 -0.95 115.11 115.77 2cg3 h GLN 34 Ca 0.29 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.49 2cg3 h GLN 34 Cb 0.38 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 2cg3 h GLN 34 CO -0.32 0.66 0.34 0.00 -0.95 0.00 0.00 178.83 178.56 2cg3 h ARG 35 N 1.03 0.63 -0.63 1.46 2.47 0.15 -2.01 114.38 117.48 2cg3 h ARG 35 Ca 0.28 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 59.00 2cg3 h ARG 35 Cb -0.11 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.03 2cg3 h ARG 35 CO -0.06 0.41 0.42 -0.09 0.56 0.00 0.00 179.97 181.21 2cg3 h ARG 36 N 0.65 0.69 -0.28 0.04 9.65 0.94 -2.14 114.38 123.92 2cg3 h ARG 36 Ca 0.28 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 2cg3 h ARG 36 Cb 0.16 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2cg3 h ARG 36 CO -0.17 0.46 0.09 0.28 2.80 0.00 0.00 179.97 183.43 2cg3 h VAL 37 N 0.71 1.20 0.00 0.20 2.07 -0.58 -1.24 116.25 118.60 2cg3 h VAL 37 Ca 0.26 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2cg3 h VAL 37 Cb 0.14 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2cg3 h VAL 37 CO -0.07 0.21 -0.18 -0.33 0.02 0.00 0.00 177.57 177.21 2cg3 h GLU 38 N 0.30 0.00 -0.02 1.57 5.08 -1.01 -2.05 114.58 118.44 2cg3 h GLU 38 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 2cg3 h GLU 38 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2cg3 h GLU 38 CO -0.00 0.18 -0.68 0.00 -1.00 0.00 0.00 179.01 177.51 2cg3 h ALA 39 N 1.82 0.82 0.00 3.43 0.00 -1.06 -3.32 119.26 120.94 2cg3 h ALA 39 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 2cg3 h ALA 39 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2cg3 h ALA 39 CO 0.02 0.81 -0.73 0.93 0.00 0.00 0.00 179.25 180.28 2cg3 h GLU 40 N 0.08 0.00 -6.66 0.00 5.08 -0.58 -3.48 114.58 109.02 2cg3 h GLU 40 Ca -0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.69 2cg3 h GLU 40 Cb 1.21 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 2cg3 h GLU 40 CO 0.10 0.17 -0.83 -0.51 -1.00 0.00 0.00 179.01 176.94 2cg3 s LEU 41 N -5.91 2.45 -1.52 1.33 1.43 -0.84 -5.00 118.68 110.63 2cg3 s LEU 41 Ca 0.02 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2cg3 s LEU 41 Cb 0.08 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 2cg3 s LEU 41 CO 0.75 0.13 2.51 -0.81 0.23 0.00 0.00 176.35 179.17 2cg3 n PRO 42 N 0.38 3.28 0.30 1.29 -0.04 -1.26 -4.70 135.00 134.26 2cg3 n PRO 42 Ca -0.13 -2.51 0.19 0.00 -0.04 0.00 0.00 63.50 61.01 2cg3 n PRO 42 Cb 0.55 -3.06 1.01 0.00 -0.04 0.00 0.00 33.50 31.96 2cg3 n PRO 42 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2cg3 h PHE 43 N 5.55 0.00 0.00 0.54 0.04 -1.95 0.52 116.94 121.64 2cg3 h PHE 43 Ca 0.69 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.46 2cg3 h PHE 43 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2cg3 h PHE 43 CO 1.63 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 179.34 2cg3 h ALA 44 N 1.79 1.00 -1.45 2.45 0.00 -1.97 -3.37 119.26 117.71 2cg3 h ALA 44 Ca 0.02 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 2cg3 h ALA 44 Cb 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2cg3 h ALA 44 CO -0.00 0.00 0.91 0.34 0.00 0.00 0.00 179.25 180.50 2cg3 s ASP 45 N -5.44 6.18 0.00 0.00 3.68 0.18 -4.79 116.67 116.49 2cg3 s ASP 45 Ca 0.02 -0.68 0.13 0.00 2.13 0.00 0.00 52.55 54.15 2cg3 s ASP 45 Cb 0.09 -2.51 0.37 0.00 -1.45 0.00 0.00 42.92 39.42 2cg3 s ASP 45 CO 0.52 -1.69 1.31 0.54 0.13 0.00 0.00 175.17 175.98 2cg3 n ARG 46 N 8.79 2.82 0.05 4.34 1.74 -1.26 -4.68 116.66 128.46 2cg3 n ARG 46 Ca 0.02 -2.16 -0.01 0.00 -0.77 0.00 0.00 57.85 54.93 2cg3 n ARG 46 Cb 0.48 -1.33 0.27 0.00 -1.02 0.00 0.00 32.46 30.86 2cg3 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cg3 h ALA 47 N 2.48 1.25 -1.08 7.54 0.00 -1.95 -2.28 119.26 125.21 2cg3 h ALA 47 Ca 0.00 -0.29 0.31 0.00 0.00 0.00 0.00 54.91 54.93 2cg3 h ALA 47 Cb 0.78 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 2cg3 h ALA 47 CO 0.00 0.49 0.67 -0.44 0.00 0.00 0.00 179.25 179.97 2cg3 h ASP 48 N 0.36 0.46 -0.66 0.00 3.32 -1.99 -1.23 116.42 116.68 2cg3 h ASP 48 Ca 0.06 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2cg3 h ASP 48 Cb 0.56 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2cg3 h ASP 48 CO 0.04 -0.03 0.27 -0.26 -1.72 0.00 0.00 179.24 177.54 2cg3 h PHE 49 N 0.34 1.00 -0.43 4.55 0.04 -1.79 0.16 116.94 120.80 2cg3 h PHE 49 Ca 0.69 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 61.34 2cg3 h PHE 49 Cb 1.73 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.57 2cg3 h PHE 49 CO -0.01 0.78 0.11 1.49 -0.60 0.00 0.00 178.31 180.08 2cg3 h GLU 50 N 0.92 0.69 -0.18 1.51 4.22 -1.38 -3.10 114.58 117.26 2cg3 h GLU 50 Ca 0.22 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 2cg3 h GLU 50 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cg3 h GLU 50 CO -0.02 0.69 0.10 0.00 -2.18 0.00 0.00 179.01 177.61 2cg3 h ARG 51 N 0.56 0.25 0.00 1.92 3.08 -0.59 0.25 114.38 119.84 2cg3 h ARG 51 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2cg3 h ARG 51 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2cg3 h ARG 51 CO 0.00 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 2cg3 n ALA 52 N -2.17 1.29 -0.01 0.04 0.00 0.49 -2.40 120.51 117.74 2cg3 n ALA 52 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2cg3 n ALA 52 Cb 0.06 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 2cg3 n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cg3 n ASP 53 N -2.16 0.83 -4.75 0.00 8.00 -0.72 -4.91 116.55 112.84 2cg3 n ASP 53 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2cg3 n ASP 53 Cb 0.11 1.77 0.04 0.00 -0.02 0.00 0.00 41.12 43.02 2cg3 n ASP 53 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cg3 s ARG 54 N -3.21 3.22 -0.60 -1.24 3.52 -0.00 -2.19 118.95 118.45 2cg3 s ARG 54 Ca -0.07 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 2cg3 s ARG 54 Cb 0.11 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 2cg3 s ARG 54 CO 0.75 -1.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 2cg3 n GLY 55 N 0.70 0.54 3.69 8.12 0.00 -1.26 -4.73 105.19 112.25 2cg3 n GLY 55 Ca 0.09 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2cg3 n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cg3 n LEU 56 N -0.64 3.80 -0.10 0.99 7.94 -0.93 0.31 117.00 128.37 2cg3 n LEU 56 Ca -0.06 1.01 -0.13 0.00 -1.11 0.00 0.00 56.01 55.72 2cg3 n LEU 56 Cb 0.55 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.89 2cg3 n LEU 56 CO 0.09 0.07 -1.15 -0.38 -1.11 0.00 0.00 177.39 174.91 2cg3 n ILE 57 N 4.49 1.18 -3.64 1.96 5.41 -0.23 -4.89 119.36 123.64 2cg3 n ILE 57 Ca 0.18 -0.52 -0.11 0.00 1.00 0.00 0.00 62.75 63.31 2cg3 n ILE 57 Cb 0.35 -1.07 -0.07 0.00 -0.71 0.00 0.00 39.64 38.14 2cg3 n ILE 57 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2cg3 s ARG 58 N -2.41 0.76 -0.31 0.38 6.06 -1.16 -5.00 118.95 117.27 2cg3 s ARG 58 Ca -0.23 1.10 0.02 0.00 -2.50 0.00 0.00 55.73 54.12 2cg3 s ARG 58 Cb 0.07 0.27 0.08 0.00 0.06 0.00 0.00 34.95 35.42 2cg3 s ARG 58 CO 0.53 -0.12 -0.00 0.50 -2.50 0.00 0.00 175.30 173.71 2cg3 s ARG 59 N 1.01 1.96 0.51 5.12 3.52 -1.26 -1.12 118.95 128.68 2cg3 s ARG 59 Ca -0.05 -1.59 -0.23 0.00 -0.13 0.00 0.00 55.73 53.74 2cg3 s ARG 59 Cb -0.05 -3.12 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 2cg3 s ARG 59 CO -0.09 -0.77 1.27 -2.30 -0.81 0.00 0.00 175.30 172.59 2cg3 n PRO 60 N 4.41 1.67 -0.17 5.12 -0.02 -1.26 -4.85 135.00 139.91 2cg3 n PRO 60 Ca -0.06 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.00 2cg3 n PRO 60 Cb 0.42 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2cg3 n PRO 60 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2cg3 h GLU 61 N 1.55 -0.07 -3.46 -0.52 4.57 -2.02 -3.41 114.58 111.22 2cg3 h GLU 61 Ca -0.49 0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.51 2cg3 h GLU 61 Cb 1.31 0.02 -0.25 0.00 -0.16 0.00 0.00 28.75 29.67 2cg3 h GLU 61 CO 0.57 -0.05 -0.55 1.03 -1.18 0.00 0.00 179.01 178.84 2cg3 s ARG 62 N -6.16 0.26 -0.24 1.92 0.52 -1.26 -5.09 118.95 108.91 2cg3 s ARG 62 Ca -0.14 -0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2cg3 s ARG 62 Cb 0.17 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.77 2cg3 s ARG 62 CO 0.71 -0.05 -0.08 -1.17 0.02 0.00 0.00 175.30 174.74 2cg3 s LEU 63 N -0.44 3.03 -0.14 2.53 2.96 -1.26 -5.07 118.68 120.28 2cg3 s LEU 63 Ca -0.05 -0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 2cg3 s LEU 63 Cb -0.03 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 45.06 2cg3 s LEU 63 CO 0.01 -0.10 0.04 -0.22 -1.32 0.00 0.00 176.35 174.76 2cg3 s LEU 64 N 1.34 0.71 -0.17 -0.68 2.96 -1.26 -2.73 118.68 118.84 2cg3 s LEU 64 Ca 0.01 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2cg3 s LEU 64 Cb -0.16 -0.42 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 2cg3 s LEU 64 CO -0.05 -0.29 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.97 2cg3 s ILE 65 N 1.99 3.22 -0.04 6.68 1.01 -0.17 -5.01 121.20 128.88 2cg3 s ILE 65 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2cg3 s ILE 65 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2cg3 s ILE 65 CO -0.07 0.48 -0.03 -0.13 0.00 0.00 0.00 174.94 175.19 2cg3 s ARG 66 N 0.88 2.78 0.57 2.79 0.52 -1.26 0.33 118.95 125.57 2cg3 s ARG 66 Ca -0.02 -0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 54.48 2cg3 s ARG 66 Cb -0.15 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 2cg3 s ARG 66 CO 0.00 0.65 1.01 -0.80 0.02 0.00 0.00 175.30 176.19 2cg3 s ASN 67 N -1.21 6.34 0.23 0.23 0.01 -0.40 -4.85 114.94 115.29 2cg3 s ASN 67 Ca 0.16 1.52 -0.06 0.00 -0.71 0.00 0.00 52.86 53.77 2cg3 s ASN 67 Cb -0.11 -2.49 0.40 0.00 0.41 0.00 0.00 41.25 39.46 2cg3 s ASN 67 CO 0.06 -0.79 1.71 -0.65 -1.51 0.00 0.00 177.10 175.92 2cg3 h PRO 68 N 0.27 0.32 -0.22 -0.60 0.11 -2.00 0.40 132.00 130.28 2cg3 h PRO 68 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cg3 h PRO 68 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2cg3 h PRO 68 CO 0.61 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 2cg3 n ASP 69 N -5.09 0.22 0.00 -2.05 5.68 -1.26 -4.87 116.55 109.17 2cg3 n ASP 69 Ca 0.12 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2cg3 n ASP 69 Cb 0.40 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2cg3 n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cg3 n GLY 70 N 0.15 1.79 3.57 6.12 0.00 0.14 -5.03 105.19 111.92 2cg3 n GLY 70 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2cg3 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cg3 s SER 71 N -3.29 1.74 -0.20 1.61 1.04 -1.26 -4.73 113.70 108.62 2cg3 s SER 71 Ca 0.00 1.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.85 2cg3 s SER 71 Cb 0.00 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 2cg3 s SER 71 CO 0.00 -3.73 0.15 -0.69 0.98 0.00 0.00 173.24 169.95 2cg3 s VAL 72 N -2.63 5.39 -0.08 5.02 1.01 -1.26 -1.28 120.40 126.58 2cg3 s VAL 72 Ca 0.67 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 2cg3 s VAL 72 Cb -0.23 -3.49 -0.26 0.00 0.00 0.00 0.00 36.38 32.40 2cg3 s VAL 72 CO 0.62 0.42 0.52 0.00 0.00 0.00 0.00 175.10 176.66 2cg3 h ALA 73 N 6.77 0.45 -1.95 5.51 0.00 -0.26 -3.42 119.26 126.36 2cg3 h ALA 73 Ca -0.41 -1.34 -0.04 0.00 0.00 0.00 0.00 54.91 53.12 2cg3 h ALA 73 Cb 1.15 0.58 -0.20 0.00 0.00 0.00 0.00 17.79 19.33 2cg3 h ALA 73 CO 0.75 1.31 0.22 -0.46 0.00 0.00 0.00 179.25 181.07 2cg3 s TRP 74 N -2.58 -0.65 -0.29 0.00 -0.11 -1.16 -1.11 118.94 113.04 2cg3 s TRP 74 Ca -0.17 1.24 -0.23 0.00 1.22 0.00 0.00 56.10 58.17 2cg3 s TRP 74 Cb 0.07 0.39 0.14 0.00 -1.50 0.00 0.00 33.47 32.56 2cg3 s TRP 74 CO 0.80 -0.53 1.09 -1.14 -4.62 0.00 0.00 176.95 172.55 2cg3 s GLN 75 N -0.84 0.40 -0.01 5.86 0.74 -1.26 -1.00 119.66 123.54 2cg3 s GLN 75 Ca -0.08 0.52 0.19 0.00 0.05 0.00 0.00 55.36 56.04 2cg3 s GLN 75 Cb -0.01 0.17 -0.25 0.00 1.10 0.00 0.00 33.01 34.01 2cg3 s GLN 75 CO 0.07 -0.05 0.60 1.28 -0.55 0.00 0.00 175.29 176.63 2cg3 n LEU 76 N 2.45 0.42 -0.31 3.68 4.77 -1.10 -4.60 117.00 122.30 2cg3 n LEU 76 Ca -0.14 -0.24 0.31 0.00 -0.03 0.00 0.00 56.01 55.92 2cg3 n LEU 76 Cb 0.56 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.33 2cg3 n LEU 76 CO 0.02 0.10 1.28 1.23 -1.33 0.00 0.00 177.39 178.70 2cg3 h GLY 77 N 3.95 0.41 2.00 -0.72 0.00 -1.98 0.98 103.07 107.71 2cg3 h GLY 77 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2cg3 h GLY 77 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.10 2cg3 n GLY 78 N -1.67 -0.92 1.01 4.60 0.00 -1.26 -1.94 105.19 105.01 2cg3 n GLY 78 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 2cg3 n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cg3 n TYR 79 N -1.67 0.79 -0.20 1.61 4.01 0.34 -4.46 117.16 117.58 2cg3 n TYR 79 Ca 0.02 -0.36 0.09 0.00 -0.16 0.00 0.00 57.90 57.49 2cg3 n TYR 79 Cb 0.13 -0.06 0.38 0.00 -0.31 0.00 0.00 39.34 39.48 2cg3 n TYR 79 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2cg3 h ASP 80 N 2.91 0.63 -0.47 7.72 3.32 -1.55 -1.63 116.42 127.35 2cg3 h ASP 80 Ca 0.00 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.20 2cg3 h ASP 80 Cb 0.81 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2cg3 h ASP 80 CO 0.05 0.38 0.43 2.19 -1.72 0.00 0.00 179.24 180.57 2cg3 h PHE 81 N 0.70 0.00 0.00 4.55 -0.00 -1.86 0.14 116.94 120.47 2cg3 h PHE 81 Ca 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.22 2cg3 h PHE 81 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.38 2cg3 h PHE 81 CO -0.00 0.00 -0.63 -0.07 -0.00 0.00 0.00 178.31 177.61 2cg3 h LEU 82 N 0.00 0.00 -1.34 2.10 3.38 -1.65 -3.35 115.31 114.45 2cg3 h LEU 82 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2cg3 h LEU 82 Cb 1.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2cg3 h LEU 82 CO -0.00 0.44 0.26 -0.07 0.09 0.00 0.00 178.44 179.16 2cg3 h LEU 83 N 0.00 0.63 -0.02 1.67 3.38 -0.82 -2.16 115.31 118.00 2cg3 h LEU 83 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2cg3 h LEU 83 Cb 1.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2cg3 h LEU 83 CO 0.05 0.53 0.14 -0.90 0.09 0.00 0.00 178.44 178.36 2cg3 n ASP 84 N -4.39 0.01 0.00 -0.43 5.68 -1.25 -4.82 116.55 111.34 2cg3 n ASP 84 Ca 0.04 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 2cg3 n ASP 84 Cb 0.11 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2cg3 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cg3 n GLY 85 N -1.36 1.94 3.58 6.12 0.00 -0.81 -5.00 105.19 109.65 2cg3 n GLY 85 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2cg3 n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cg3 n LYS 86 N 0.00 1.19 -1.64 1.61 2.85 -1.26 -4.98 118.16 115.94 2cg3 n LYS 86 Ca 0.00 0.42 -0.44 0.00 -1.05 0.00 0.00 58.31 57.25 2cg3 n LYS 86 Cb 0.00 -1.92 -0.01 0.00 -0.65 0.00 0.00 35.03 32.45 2cg3 n LYS 86 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2cg3 n PRO 87 N 1.74 1.69 -3.68 -1.58 -0.02 -1.26 -5.02 135.00 126.86 2cg3 n PRO 87 Ca 0.15 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.94 2cg3 n PRO 87 Cb 0.25 -2.06 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 2cg3 n PRO 87 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2cg3 s ARG 88 N -1.72 0.46 0.00 -0.52 0.52 -1.26 -5.01 118.95 111.42 2cg3 s ARG 88 Ca 0.57 -0.45 0.12 0.00 -0.52 0.00 0.00 55.73 55.45 2cg3 s ARG 88 Cb -0.64 -1.89 0.63 0.00 0.52 0.00 0.00 34.95 33.57 2cg3 s ARG 88 CO 0.61 -0.75 1.23 -0.25 0.02 0.00 0.00 175.30 176.15 2cg3 n ASP 89 N 5.10 0.00 -0.62 0.23 8.00 -1.26 0.47 116.55 128.47 2cg3 n ASP 89 Ca -0.07 -0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.46 2cg3 n ASP 89 Cb 0.46 -0.18 0.27 0.00 -0.02 0.00 0.00 41.12 41.65 2cg3 n ASP 89 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2cg3 n SER 90 N -1.18 1.83 -4.17 -2.24 3.41 -1.26 -4.71 113.62 105.30 2cg3 n SER 90 Ca 0.07 -1.85 -0.26 0.00 -0.26 0.00 0.00 58.87 56.58 2cg3 n SER 90 Cb 0.07 -0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 2cg3 n SER 90 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2cg3 s ILE 91 N -1.66 1.44 0.21 -1.33 1.01 0.18 -4.29 121.20 116.76 2cg3 s ILE 91 Ca 0.29 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.87 2cg3 s ILE 91 Cb 0.15 -1.21 -0.10 0.00 0.01 0.00 0.00 42.46 41.32 2cg3 s ILE 91 CO 0.22 0.41 1.46 0.21 0.00 0.00 0.00 174.94 177.24 2cg3 s ASN 92 N -0.31 6.67 0.41 3.58 3.84 -1.04 -4.74 114.94 123.34 2cg3 s ASN 92 Ca 0.04 2.60 0.13 0.00 0.21 0.00 0.00 52.86 55.85 2cg3 s ASN 92 Cb -0.08 -2.61 0.85 0.00 -0.55 0.00 0.00 41.25 38.86 2cg3 s ASN 92 CO 0.00 -0.72 1.91 1.55 -2.79 0.00 0.00 177.10 177.05 2cg3 h PRO 93 N 5.74 0.02 -0.55 0.43 0.13 -1.89 0.82 132.00 136.70 2cg3 h PRO 93 Ca -0.45 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2cg3 h PRO 93 Cb 1.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2cg3 h PRO 93 CO 0.83 0.29 0.00 1.03 -0.23 0.00 0.00 178.00 179.92 2cg3 h SER 94 N 0.02 0.95 -0.01 1.44 0.87 -1.94 -1.16 113.55 113.73 2cg3 h SER 94 Ca 0.00 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 2cg3 h SER 94 Cb 0.48 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2cg3 h SER 94 CO 0.03 1.02 -0.21 0.25 -0.53 0.00 0.00 176.83 177.40 2cg3 h LEU 95 N 0.85 0.37 -0.54 2.23 5.85 -1.45 -2.02 115.31 120.61 2cg3 h LEU 95 Ca 0.16 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2cg3 h LEU 95 Cb 0.53 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2cg3 h LEU 95 CO 0.03 0.59 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.04 2cg3 h GLN 96 N 0.34 1.00 -0.26 1.25 4.15 -0.47 0.65 115.11 121.78 2cg3 h GLN 96 Ca 0.06 -0.36 0.05 0.00 0.77 0.00 0.00 58.65 59.17 2cg3 h GLN 96 Cb 0.56 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 2cg3 h GLN 96 CO 0.04 1.04 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.82 2cg3 h ARG 97 N 0.88 -0.01 -0.51 1.69 2.43 -0.83 -1.64 114.38 116.39 2cg3 h ARG 97 Ca 0.14 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2cg3 h ARG 97 Cb 0.63 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2cg3 h ARG 97 CO 0.04 -0.01 0.04 0.37 -1.51 0.00 0.00 179.97 178.91 2cg3 h GLN 98 N -0.01 0.83 -0.51 0.20 5.75 -1.05 -2.24 115.11 118.07 2cg3 h GLN 98 Ca 0.12 -0.21 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2cg3 h GLN 98 Cb 0.20 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2cg3 h GLN 98 CO -0.27 0.80 0.25 0.00 -2.65 0.00 0.00 178.83 176.96 2cg3 h ALA 99 N 1.26 0.66 -0.39 3.38 0.00 -0.52 -1.60 119.26 122.05 2cg3 h ALA 99 Ca 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2cg3 h ALA 99 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2cg3 h ALA 99 CO 0.01 -0.11 -0.09 -0.07 0.00 0.00 0.00 179.25 178.99 2cg3 h LEU 100 N 0.47 0.74 -0.43 0.00 3.38 -0.98 -3.09 115.31 115.40 2cg3 h LEU 100 Ca 0.23 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cg3 h LEU 100 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2cg3 h LEU 100 CO -0.18 0.93 0.27 -0.07 0.09 0.00 0.00 178.44 179.48 2cg3 h LEU 101 N 0.55 0.51 -2.82 1.67 3.38 -1.18 -0.81 115.31 116.60 2cg3 h LEU 101 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2cg3 h LEU 101 Cb 0.60 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cg3 h LEU 101 CO 0.04 0.40 0.06 0.78 0.09 0.00 0.00 178.44 179.81 2cg3 h ASN 102 N 0.57 0.00 0.00 -0.43 2.35 -1.30 0.23 115.58 117.00 2cg3 h ASN 102 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2cg3 h ASN 102 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2cg3 h ASN 102 CO -0.03 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.93 2cg3 n LEU 103 N -3.04 0.00 -4.15 1.61 4.77 -0.31 -4.45 117.00 111.43 2cg3 n LEU 103 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2cg3 n LEU 103 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2cg3 n LEU 103 CO 0.19 0.00 1.53 0.29 -1.33 0.00 0.00 177.39 178.06 2cg3 n LYS 104 N -0.87 3.64 -3.35 3.23 4.01 0.80 -4.98 118.16 120.64 2cg3 n LYS 104 Ca 0.16 -3.88 -0.22 0.00 -0.51 0.00 0.00 58.31 53.86 2cg3 n LYS 104 Cb 0.07 -2.87 -0.00 0.00 -0.51 0.00 0.00 35.03 31.72 2cg3 n LYS 104 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2cg3 s TYR 105 N 0.19 3.35 -4.03 2.13 1.13 -1.26 -4.84 117.35 114.02 2cg3 s TYR 105 Ca 0.39 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 2cg3 s TYR 105 Cb 0.03 -1.99 0.00 0.00 -1.10 0.00 0.00 41.96 38.90 2cg3 s TYR 105 CO 0.01 0.00 0.00 0.41 -2.51 0.00 0.00 175.55 173.46 2cg3 n GLY 106 N -1.80 0.74 3.69 5.49 0.00 -0.58 -4.57 105.19 108.17 2cg3 n GLY 106 Ca -0.03 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2cg3 n GLY 106 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cg3 s LEU 107 N 0.00 4.18 0.06 0.99 2.96 -0.27 -1.39 118.68 125.21 2cg3 s LEU 107 Ca 0.00 0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 2cg3 s LEU 107 Cb 0.00 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2cg3 s LEU 107 CO 0.00 0.04 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.55 2cg3 s PHE 108 N 0.87 1.38 0.05 5.38 0.08 0.12 -1.07 117.98 124.79 2cg3 s PHE 108 Ca 0.14 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 2cg3 s PHE 108 Cb -0.13 -0.79 -0.06 0.00 -0.57 0.00 0.00 43.02 41.46 2cg3 s PHE 108 CO 0.05 0.08 0.67 -2.00 -0.10 0.00 0.00 175.22 173.91 2cg3 s GLU 109 N -1.48 4.38 -0.25 0.44 2.12 0.15 -0.98 118.70 123.08 2cg3 s GLU 109 Ca 0.02 0.89 0.01 0.00 0.36 0.00 0.00 54.97 56.25 2cg3 s GLU 109 Cb -0.09 -3.32 -0.16 0.00 0.26 0.00 0.00 34.13 30.82 2cg3 s GLU 109 CO 0.02 0.42 -0.23 0.28 -0.54 0.00 0.00 175.26 175.21 2cg3 n VAL 110 N 2.41 1.44 -3.79 3.70 0.31 0.12 -4.31 118.33 118.21 2cg3 n VAL 110 Ca -0.06 -0.54 -0.03 0.00 -0.01 0.00 0.00 64.34 63.71 2cg3 n VAL 110 Cb 0.50 -1.43 -0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2cg3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cg3 s ALA 111 N -2.50 -1.70 -0.11 3.52 0.00 -1.15 -4.99 121.76 114.83 2cg3 s ALA 111 Ca -0.34 0.01 -0.36 0.00 0.00 0.00 0.00 51.96 51.26 2cg3 s ALA 111 Cb 0.09 0.66 -0.14 0.00 0.00 0.00 0.00 23.12 23.73 2cg3 s ALA 111 CO 0.57 -1.05 1.74 -1.91 0.00 0.00 0.00 175.76 175.11 2cg3 n GLU 112 N -0.56 1.72 -1.10 0.00 2.13 -1.26 0.13 120.64 121.69 2cg3 n GLU 112 Ca -0.05 0.63 -0.03 0.00 0.66 0.00 0.00 57.16 58.36 2cg3 n GLU 112 Cb 0.60 -2.39 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 2cg3 n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cg3 n GLY 113 N 4.02 0.46 3.09 8.31 0.00 -1.26 -4.90 105.19 114.91 2cg3 n GLY 113 Ca 0.23 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2cg3 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cg3 s ILE 114 N -1.58 2.24 0.20 -0.61 1.01 0.34 -1.58 121.20 121.22 2cg3 s ILE 114 Ca 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 60.65 59.22 2cg3 s ILE 114 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2cg3 s ILE 114 CO 0.00 0.04 -0.03 -0.31 0.00 0.00 0.00 174.94 174.64 2cg3 s TYR 115 N 1.14 2.74 0.01 3.97 2.02 -0.25 0.12 117.35 127.09 2cg3 s TYR 115 Ca -0.07 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 2cg3 s TYR 115 Cb -0.19 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2cg3 s TYR 115 CO -0.06 0.54 -0.15 -0.65 -1.57 0.00 0.00 175.55 173.66 2cg3 s GLN 116 N -3.08 1.14 -0.24 -0.62 -0.21 -0.15 -1.10 119.66 115.40 2cg3 s GLN 116 Ca 0.27 -0.62 -0.08 0.00 0.02 0.00 0.00 55.36 54.95 2cg3 s GLN 116 Cb -0.08 -1.13 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 2cg3 s GLN 116 CO 0.18 0.30 0.09 0.08 -2.12 0.00 0.00 175.29 173.81 2cg3 s VAL 117 N -0.51 4.56 0.04 1.09 1.01 -0.51 0.16 120.40 126.23 2cg3 s VAL 117 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2cg3 s VAL 117 Cb -0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2cg3 s VAL 117 CO 0.00 0.35 -0.06 -0.13 0.00 0.00 0.00 175.10 175.25 2cg3 s ARG 118 N 1.40 2.47 -0.16 2.72 0.52 -0.48 -1.91 118.95 123.50 2cg3 s ARG 118 Ca 0.06 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2cg3 s ARG 118 Cb -0.15 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2cg3 s ARG 118 CO 0.04 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.35 2cg3 n GLY 119 N 1.25 0.52 0.58 -3.53 0.00 -1.26 -1.52 105.19 101.23 2cg3 n GLY 119 Ca -0.14 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.41 2cg3 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cg3 n PHE 120 N -2.91 0.00 -1.94 1.61 3.72 -1.26 -4.89 117.46 111.79 2cg3 n PHE 120 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2cg3 n PHE 120 Cb 0.07 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2cg3 n PHE 120 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2cg3 n ASP 121 N 0.38 0.00 -0.25 4.37 -0.08 -1.26 -4.86 116.55 114.84 2cg3 n ASP 121 Ca 0.16 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.43 2cg3 n ASP 121 Cb 0.43 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.07 2cg3 n ASP 121 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2cg3 h LEU 122 N 0.00 0.96-10.02 -2.67 5.85 -1.87 -3.42 115.31 104.13 2cg3 h LEU 122 Ca 0.00 -0.06 -0.51 0.00 0.84 0.00 0.00 57.88 58.15 2cg3 h LEU 122 Cb 0.00 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2cg3 h LEU 122 CO 0.00 0.74 -0.45 0.00 -0.34 0.00 0.00 178.44 178.39 2cg3 s ALA 123 N -5.79 3.81 0.50 1.25 0.00 -1.26 -3.93 121.76 116.34 2cg3 s ALA 123 Ca -0.11 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 49.99 2cg3 s ALA 123 Cb 0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2cg3 s ALA 123 CO 0.80 -0.08 0.80 -0.80 0.00 0.00 0.00 175.76 176.49 2cg3 s ASN 124 N -4.00 6.13 -0.00 0.00 0.01 0.27 -4.43 114.94 112.93 2cg3 s ASN 124 Ca 0.42 0.87 0.07 0.00 -0.71 0.00 0.00 52.86 53.52 2cg3 s ASN 124 Cb -0.03 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 2cg3 s ASN 124 CO 0.26 -0.67 -0.23 -0.51 -1.51 0.00 0.00 177.10 174.44 2cg3 s ILE 125 N -2.78 1.84 -0.11 0.60 2.07 -0.80 -4.56 121.20 117.46 2cg3 s ILE 125 Ca 0.49 -1.07 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 2cg3 s ILE 125 Cb -0.10 -1.54 0.01 0.00 0.13 0.00 0.00 42.46 40.95 2cg3 s ILE 125 CO 0.45 0.45 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.83 2cg3 s THR 126 N -0.61 1.88 -0.30 4.00 2.01 -0.76 -1.42 115.64 120.43 2cg3 s THR 126 Ca 0.09 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2cg3 s THR 126 Cb -0.09 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2cg3 s THR 126 CO -0.00 0.52 0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 2cg3 s PHE 127 N 0.56 3.22 -0.22 4.92 0.08 -0.26 0.37 117.98 126.65 2cg3 s PHE 127 Ca -0.14 -1.67 -0.12 0.00 0.12 0.00 0.00 56.93 55.12 2cg3 s PHE 127 Cb -0.17 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 2cg3 s PHE 127 CO 0.05 -0.76 0.21 0.42 -0.10 0.00 0.00 175.22 175.03 2cg3 s ILE 128 N 1.31 5.34 -0.15 0.64 1.01 0.20 -1.09 121.20 128.46 2cg3 s ILE 128 Ca -0.03 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2cg3 s ILE 128 Cb -0.19 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 2cg3 s ILE 128 CO -0.01 0.36 2.00 -0.60 0.00 0.00 0.00 174.94 176.69 2cg3 s ARG 129 N 0.87 3.58 0.54 2.79 3.52 -0.61 0.12 118.95 129.75 2cg3 s ARG 129 Ca 0.10 2.11 0.06 0.00 -0.13 0.00 0.00 55.73 57.87 2cg3 s ARG 129 Cb -0.13 -4.23 0.06 0.00 -1.56 0.00 0.00 34.95 29.08 2cg3 s ARG 129 CO 0.03 -1.58 0.74 0.20 -0.81 0.00 0.00 175.30 173.89 2cg3 s GLY 130 N 6.21 1.83 0.39 8.12 0.00 0.82 -4.89 107.32 119.79 2cg3 s GLY 130 Ca 0.90 -1.77 0.10 0.00 0.00 0.00 0.00 44.72 43.95 2cg3 s GLY 130 CO 0.36 -1.42 1.91 -0.55 0.00 0.00 0.00 173.10 173.40 2cg3 h ASP 131 N 0.21 0.21 -0.00 1.64 3.32 0.00 -3.31 116.42 118.49 2cg3 h ASP 131 Ca -0.36 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2cg3 h ASP 131 Cb 1.28 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2cg3 h ASP 131 CO 0.44 0.38 -0.04 -1.54 -1.72 0.00 0.00 179.24 176.76 2cg3 n SER 132 N -4.27 0.19 -0.00 6.45 3.41 -1.26 -5.11 113.62 113.03 2cg3 n SER 132 Ca -0.01 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2cg3 n SER 132 Cb 0.27 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 2cg3 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cg3 n GLY 133 N 0.89 1.04 3.85 5.00 0.00 -1.25 -4.66 105.19 110.05 2cg3 n GLY 133 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2cg3 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cg3 s TRP 134 N -2.15 3.70 -0.23 1.61 0.52 0.21 -0.13 118.94 122.47 2cg3 s TRP 134 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 56.10 56.91 2cg3 s TRP 134 Cb 0.00 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 30.06 2cg3 s TRP 134 CO 0.00 0.66 0.16 0.42 0.02 0.00 0.00 176.95 178.21 2cg3 s ILE 135 N -1.06 5.37 -0.18 2.03 1.01 0.32 -1.65 121.20 127.03 2cg3 s ILE 135 Ca 0.22 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 2cg3 s ILE 135 Cb -0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2cg3 s ILE 135 CO 0.11 0.36 -0.00 -0.69 0.00 0.00 0.00 174.94 174.72 2cg3 s VAL 136 N 0.96 4.10 -0.25 2.92 1.01 0.10 0.60 120.40 129.84 2cg3 s VAL 136 Ca 0.08 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 2cg3 s VAL 136 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2cg3 s VAL 136 CO 0.04 0.46 0.28 -0.69 0.00 0.00 0.00 175.10 175.18 2cg3 s VAL 137 N 0.64 5.26 0.32 2.92 1.01 0.16 -0.05 120.40 130.66 2cg3 s VAL 137 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2cg3 s VAL 137 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2cg3 s VAL 137 CO 0.02 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.84 2cg3 n ASP 138 N 4.82 -4.38 -0.73 3.32 8.00 0.97 -1.83 116.55 126.72 2cg3 n ASP 138 Ca -0.12 0.73 0.01 0.00 0.71 0.00 0.00 54.79 56.13 2cg3 n ASP 138 Cb 0.51 -2.65 0.01 0.00 -0.02 0.00 0.00 41.12 38.97 2cg3 n ASP 138 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2cg3 n THR 139 N -3.33 0.08 -3.52 -3.53 -2.24 0.06 -4.53 114.28 97.27 2cg3 n THR 139 Ca -0.04 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2cg3 n THR 139 Cb 0.37 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2cg3 n THR 139 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cg3 n LEU 140 N 0.06 0.00 0.03 3.22 4.77 -1.26 -2.30 117.00 121.53 2cg3 n LEU 140 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2cg3 n LEU 140 Cb 0.81 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.77 2cg3 n LEU 140 CO -0.01 -0.71 -0.18 0.74 -1.33 0.00 0.00 177.39 175.90 2cg3 h THR 141 N 0.00 1.31 -2.53 -5.08 2.02 -1.75 -1.11 112.91 105.77 2cg3 h THR 141 Ca 0.00 -3.05 -0.09 0.00 0.77 0.00 0.00 66.41 64.04 2cg3 h THR 141 Cb 0.00 2.69 -0.20 0.00 -1.74 0.00 0.00 68.15 68.90 2cg3 h THR 141 CO 0.00 0.78 -0.05 0.28 0.37 0.00 0.00 175.52 176.90 2cg3 s THR 142 N -2.65 0.03 0.24 3.16 -1.32 -1.25 -3.18 115.64 110.68 2cg3 s THR 142 Ca -0.03 -0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 2cg3 s THR 142 Cb 0.09 -0.80 0.21 0.00 -1.51 0.00 0.00 72.50 70.49 2cg3 s THR 142 CO 0.83 -0.13 1.75 -0.65 -2.21 0.00 0.00 174.62 174.21 2cg3 h PRO 143 N 3.49 0.52 -0.31 7.08 0.11 -1.72 -1.65 132.00 139.52 2cg3 h PRO 143 Ca -0.28 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.85 2cg3 h PRO 143 Cb 1.16 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2cg3 h PRO 143 CO 0.39 0.34 0.21 0.00 -0.21 0.00 0.00 178.00 178.74 2cg3 h ALA 144 N 1.52 2.09 0.03 -0.75 0.00 -1.89 -0.17 119.26 120.09 2cg3 h ALA 144 Ca 0.41 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 2cg3 h ALA 144 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2cg3 h ALA 144 CO -0.35 -0.16 -1.19 1.79 0.00 0.00 0.00 179.25 179.34 2cg3 h THR 145 N 0.16 1.50 0.38 0.00 1.35 -1.63 -2.23 112.91 112.43 2cg3 h THR 145 Ca 0.14 -3.21 -0.02 0.00 -0.55 0.00 0.00 66.41 62.77 2cg3 h THR 145 Cb 0.35 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2cg3 h THR 145 CO -0.02 0.88 -0.18 0.00 -0.25 0.00 0.00 175.52 175.95 2cg3 h ALA 146 N 0.88 -0.51 -0.95 6.62 0.00 -1.20 0.79 119.26 124.90 2cg3 h ALA 146 Ca -0.09 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.83 2cg3 h ALA 146 Cb 1.86 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 2cg3 h ALA 146 CO 0.14 -0.78 0.57 -0.09 0.00 0.00 0.00 179.25 179.09 2cg3 h ARG 147 N -0.53 0.84 -0.18 0.00 9.65 -1.02 0.65 114.38 123.79 2cg3 h ARG 147 Ca -0.05 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.59 2cg3 h ARG 147 Cb 0.40 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2cg3 h ARG 147 CO 0.09 0.55 -0.60 0.00 2.80 0.00 0.00 179.97 182.81 2cg3 h ALA 148 N 1.54 0.31 -0.59 2.80 0.00 -1.14 0.15 119.26 122.33 2cg3 h ALA 148 Ca 0.49 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2cg3 h ALA 148 Cb 0.56 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2cg3 h ALA 148 CO -0.30 0.56 0.24 0.00 0.00 0.00 0.00 179.25 179.76 2cg3 h ALA 149 N 0.56 0.76 -0.51 0.00 0.00 0.17 -2.41 119.26 117.84 2cg3 h ALA 149 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2cg3 h ALA 149 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2cg3 h ALA 149 CO 0.13 -0.16 0.16 -0.92 0.00 0.00 0.00 179.25 178.46 2cg3 h TYR 150 N 0.44 0.81 -0.97 0.00 3.20 -0.40 -1.21 116.97 118.84 2cg3 h TYR 150 Ca 0.29 -0.08 0.13 0.00 3.14 0.00 0.00 58.73 62.21 2cg3 h TYR 150 Cb 0.32 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 2cg3 h TYR 150 CO -0.15 0.70 0.59 0.93 -1.64 0.00 0.00 178.16 178.59 2cg3 h GLU 151 N 0.68 0.89 -0.05 1.82 5.08 -0.44 0.11 114.58 122.68 2cg3 h GLU 151 Ca 0.16 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2cg3 h GLU 151 Cb 0.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2cg3 h GLU 151 CO -0.01 0.59 -0.08 1.25 -1.00 0.00 0.00 179.01 179.76 2cg3 h LEU 152 N 0.91 0.15 -0.69 1.33 5.85 -1.08 -1.08 115.31 120.70 2cg3 h LEU 152 Ca 0.49 -0.55 0.13 0.00 0.84 0.00 0.00 57.88 58.79 2cg3 h LEU 152 Cb 0.53 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 2cg3 h LEU 152 CO -0.28 0.67 0.21 0.58 -0.34 0.00 0.00 178.44 179.28 2cg3 h VAL 153 N -0.37 0.62 0.00 1.05 2.07 -0.59 -2.08 116.25 116.95 2cg3 h VAL 153 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2cg3 h VAL 153 Cb 0.65 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2cg3 h VAL 153 CO 0.02 0.06 -0.25 0.28 0.02 0.00 0.00 177.57 177.70 2cg3 h SER 154 N 0.34 0.00 0.92 0.57 0.02 -0.23 0.85 113.55 116.02 2cg3 h SER 154 Ca 0.38 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.10 2cg3 h SER 154 Cb 0.58 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2cg3 h SER 154 CO -0.42 0.25 -1.12 0.03 -1.14 0.00 0.00 176.83 174.43 2cg3 h ARG 155 N 0.00 0.00 0.00 3.45 3.08 -0.54 -3.08 114.38 117.29 2cg3 h ARG 155 Ca -0.00 -0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2cg3 h ARG 155 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2cg3 h ARG 155 CO 0.03 0.92 -2.05 0.39 -1.07 0.00 0.00 179.97 178.19 2cg3 n GLU 156 N -3.30 0.66 0.00 0.04 -0.58 -0.91 -4.53 120.64 112.02 2cg3 n GLU 156 Ca -0.03 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2cg3 n GLU 156 Cb 0.96 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 30.18 2cg3 n GLU 156 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2cg3 n LEU 157 N -2.86 0.50 0.00 -4.62 4.77 0.25 -5.10 117.00 109.93 2cg3 n LEU 157 Ca -0.24 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2cg3 n LEU 157 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2cg3 n LEU 157 CO 0.44 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2cg3 n GLY 158 N 0.57 1.91 3.69 -0.72 0.00 -1.17 -4.97 105.19 104.50 2cg3 n GLY 158 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2cg3 n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cg3 s GLU 159 N -5.05 4.22 0.09 1.61 2.12 -1.18 -4.50 118.70 116.01 2cg3 s GLU 159 Ca 0.00 2.23 0.05 0.00 0.36 0.00 0.00 54.97 57.62 2cg3 s GLU 159 Cb 0.00 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 2cg3 s GLU 159 CO 0.00 -0.68 -0.14 1.03 -0.54 0.00 0.00 175.26 174.92 2cg3 s ARG 160 N 2.51 0.88 0.69 4.30 0.52 -1.26 -5.10 118.95 121.50 2cg3 s ARG 160 Ca 0.71 -1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 2cg3 s ARG 160 Cb -0.38 -0.87 0.01 0.00 0.52 0.00 0.00 34.95 34.24 2cg3 s ARG 160 CO 0.31 0.19 1.08 -1.25 0.02 0.00 0.00 175.30 175.64 2cg3 s PRO 161 N -2.00 2.78 -0.22 3.54 0.04 -1.26 -4.81 135.00 133.07 2cg3 s PRO 161 Ca 0.01 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2cg3 s PRO 161 Cb -0.09 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2cg3 s PRO 161 CO 0.02 -1.24 0.32 0.42 0.04 0.00 0.00 177.00 176.57 2cg3 s ILE 162 N -2.77 5.25 -0.20 0.56 1.01 -1.26 -0.62 121.20 123.16 2cg3 s ILE 162 Ca 0.61 0.53 0.10 0.00 0.00 0.00 0.00 60.65 61.90 2cg3 s ILE 162 Cb -0.16 -3.66 -0.19 0.00 0.01 0.00 0.00 42.46 38.46 2cg3 s ILE 162 CO 0.50 0.27 -0.06 0.54 0.00 0.00 0.00 174.94 176.19 2cg3 n ARG 163 N 4.49 0.84 -4.09 2.79 5.12 -0.66 -4.76 116.66 120.39 2cg3 n ARG 163 Ca -0.10 0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 55.64 2cg3 n ARG 163 Cb 0.51 -1.46 -0.17 0.00 -1.16 0.00 0.00 32.46 30.18 2cg3 n ARG 163 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2cg3 s THR 164 N -2.45 0.72 -0.12 0.55 2.01 -1.18 -1.87 115.64 113.30 2cg3 s THR 164 Ca -0.19 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2cg3 s THR 164 Cb 0.07 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 2cg3 s THR 164 CO 0.65 0.29 0.11 -0.69 -0.69 0.00 0.00 174.62 174.28 2cg3 s VAL 165 N 1.29 5.22 -0.11 3.82 1.01 -0.30 0.01 120.40 131.33 2cg3 s VAL 165 Ca -0.04 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2cg3 s VAL 165 Cb -0.14 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2cg3 s VAL 165 CO -0.02 0.60 -0.21 -0.63 0.00 0.00 0.00 175.10 174.84 2cg3 s ILE 166 N -0.87 1.87 -0.31 2.22 1.01 0.92 -0.64 121.20 125.40 2cg3 s ILE 166 Ca 0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 2cg3 s ILE 166 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2cg3 s ILE 166 CO 0.03 0.52 0.33 -0.31 0.00 0.00 0.00 174.94 175.51 2cg3 s TYR 167 N 0.61 3.22 -0.21 3.97 2.02 0.11 -0.02 117.35 127.04 2cg3 s TYR 167 Ca -0.13 0.13 0.28 0.00 -0.37 0.00 0.00 57.07 56.97 2cg3 s TYR 167 Cb -0.17 -2.59 0.80 0.00 -0.40 0.00 0.00 41.96 39.61 2cg3 s TYR 167 CO 0.04 -0.32 1.78 0.66 -1.57 0.00 0.00 175.55 176.13 2cg3 h SER 168 N 8.36 0.00 -4.25 2.29 4.64 -1.91 -3.38 113.55 119.31 2cg3 h SER 168 Ca -0.31 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.24 2cg3 h SER 168 Cb 1.16 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 2cg3 h SER 168 CO 0.65 0.00 0.77 -1.38 -0.87 0.00 0.00 176.83 176.00 2cg3 s HIS 169 N -3.41 -0.16 -0.05 4.77 -3.43 -1.26 -4.33 115.29 107.42 2cg3 s HIS 169 Ca 0.05 0.11 -0.05 0.00 -0.80 0.00 0.00 55.06 54.37 2cg3 s HIS 169 Cb 0.07 0.51 -0.23 0.00 -1.43 0.00 0.00 32.58 31.51 2cg3 s HIS 169 CO 0.61 -0.25 3.16 0.00 -2.00 0.00 0.00 174.74 176.27 2cg3 n ALA 170 N -0.06 5.65 -2.35 -1.38 0.00 -0.54 -4.67 120.51 117.15 2cg3 n ALA 170 Ca -0.01 -1.62 -0.30 0.00 0.00 0.00 0.00 53.44 51.51 2cg3 n ALA 170 Cb 0.59 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 2cg3 n ALA 170 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2cg3 s HIS 171 N 1.33 2.19 0.40 0.00 3.76 -1.26 -4.28 115.29 117.43 2cg3 s HIS 171 Ca 0.57 -0.41 0.27 0.00 -0.15 0.00 0.00 55.06 55.34 2cg3 s HIS 171 Cb 0.27 -1.38 1.39 0.00 1.11 0.00 0.00 32.58 33.98 2cg3 s HIS 171 CO -0.00 0.01 1.53 0.00 -0.85 0.00 0.00 174.74 175.43 2cg3 n ALA 172 N 2.26 1.19 1.48 -1.40 0.00 -1.26 0.79 120.51 123.56 2cg3 n ALA 172 Ca -0.16 0.92 0.04 0.00 0.00 0.00 0.00 53.44 54.24 2cg3 n ALA 172 Cb 0.52 -1.02 0.17 0.00 0.00 0.00 0.00 19.45 19.12 2cg3 n ALA 172 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2cg3 n ASP 173 N -4.91 0.91 -0.03 0.00 5.75 -1.26 -0.61 116.55 116.41 2cg3 n ASP 173 Ca 0.38 -1.90 -0.03 0.00 -0.01 0.00 0.00 54.79 53.23 2cg3 n ASP 173 Cb 1.41 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 41.36 2cg3 n ASP 173 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2cg3 n HIS 174 N -0.04 0.00 0.79 2.11 8.25 0.24 -4.00 115.22 122.57 2cg3 n HIS 174 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 2cg3 n HIS 174 Cb 0.16 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 30.96 2cg3 n HIS 174 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2cg3 n PHE 175 N -2.37 0.00 -0.16 4.41 -1.74 -0.88 -0.76 117.46 115.97 2cg3 n PHE 175 Ca -0.09 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.82 2cg3 n PHE 175 Cb 0.64 0.00 0.30 0.00 1.52 0.00 0.00 39.48 41.94 2cg3 n PHE 175 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2cg3 h GLY 176 N 3.93 0.93 -3.51 4.97 0.00 -0.33 -2.58 103.07 106.48 2cg3 h GLY 176 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2cg3 h GLY 176 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.49 2cg3 n GLY 177 N -1.44 2.97 0.28 4.60 0.00 -0.47 -1.41 105.19 109.73 2cg3 n GLY 177 Ca 0.07 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.24 2cg3 n GLY 177 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2cg3 h VAL 178 N 4.04 0.45 0.00 1.61 3.04 -1.58 -0.40 116.25 123.41 2cg3 h VAL 178 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2cg3 h VAL 178 Cb 1.93 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2cg3 h VAL 178 CO 0.47 0.05 0.00 0.03 -1.01 0.00 0.00 177.57 177.10 2cg3 h ARG 179 N 0.25 0.00 0.00 4.17 3.08 -1.83 0.33 114.38 120.38 2cg3 h ARG 179 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2cg3 h ARG 179 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2cg3 h ARG 179 CO -0.56 0.00 0.00 0.78 -1.07 0.00 0.00 179.97 179.12 2cg3 h GLY 180 N 0.49 0.00 0.00 0.04 0.00 -1.26 -3.37 103.07 98.98 2cg3 h GLY 180 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2cg3 h GLY 180 CO 0.00 0.00 -1.80 1.04 0.00 0.00 0.00 176.54 175.78 2cg3 n LEU 181 N -2.51 2.96 -4.07 3.11 4.77 0.11 -3.71 117.00 117.66 2cg3 n LEU 181 Ca 0.02 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2cg3 n LEU 181 Cb 0.30 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2cg3 n LEU 181 CO 0.24 0.73 -0.37 0.68 -1.33 0.00 0.00 177.39 177.34 2cg3 s VAL 182 N -2.28 0.29 0.06 4.08 -7.23 -0.77 -4.93 120.40 109.63 2cg3 s VAL 182 Ca -0.19 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2cg3 s VAL 182 Cb 0.05 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2cg3 s VAL 182 CO 0.32 -0.76 0.02 -1.83 -0.31 0.00 0.00 175.10 172.54 2cg3 s GLU 183 N -2.91 2.71 0.30 4.82 -1.05 -1.26 -4.27 118.70 117.04 2cg3 s GLU 183 Ca -0.01 -0.73 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 2cg3 s GLU 183 Cb 0.00 -2.63 0.78 0.00 -0.44 0.00 0.00 34.13 31.84 2cg3 s GLU 183 CO -0.05 0.57 1.62 -1.35 0.95 0.00 0.00 175.26 177.00 2cg3 h PRO 184 N 3.67 0.13 -0.88 -4.83 0.11 -1.99 0.11 132.00 128.32 2cg3 h PRO 184 Ca -0.48 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.86 2cg3 h PRO 184 Cb 1.17 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2cg3 h PRO 184 CO 0.61 0.09 0.61 0.37 -0.21 0.00 0.00 178.00 179.46 2cg3 h GLN 185 N 0.13 0.15 0.12 1.05 -0.00 -1.98 0.35 115.11 114.93 2cg3 h GLN 185 Ca 0.59 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.65 58.96 2cg3 h GLN 185 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 27.48 28.71 2cg3 h GLN 185 CO -0.74 0.10 -1.22 1.96 0.00 0.00 0.00 178.83 178.93 2cg3 h GLN 186 N 0.15 0.37 -0.27 1.69 4.20 -1.19 -1.65 115.11 118.42 2cg3 h GLN 186 Ca 0.44 -0.56 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 2cg3 h GLN 186 Cb 1.47 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 2cg3 h GLN 186 CO -0.08 1.25 -0.06 0.28 -0.67 0.00 0.00 178.83 179.55 2cg3 h VAL 187 N 0.13 1.28 -0.23 -0.54 2.07 -0.86 -1.95 116.25 116.16 2cg3 h VAL 187 Ca -0.15 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2cg3 h VAL 187 Cb 1.92 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2cg3 h VAL 187 CO 0.21 0.34 0.14 0.00 0.02 0.00 0.00 177.57 178.28 2cg3 h ALA 188 N 0.77 0.29 0.00 1.67 0.00 -0.31 -1.64 119.26 120.04 2cg3 h ALA 188 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cg3 h ALA 188 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cg3 h ALA 188 CO 0.03 -0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.72 2cg3 h SER 189 N 0.29 0.00 0.00 0.00 4.64 -1.40 -3.46 113.55 113.62 2cg3 h SER 189 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2cg3 h SER 189 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2cg3 h SER 189 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 2cg3 n GLY 190 N -0.95 0.70 0.24 -0.77 0.00 -0.62 -4.94 105.19 98.85 2cg3 n GLY 190 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2cg3 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cg3 h ALA 191 N 0.00 1.74 -3.46 4.61 0.00 -1.60 -3.41 119.26 117.14 2cg3 h ALA 191 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 54.91 54.36 2cg3 h ALA 191 Cb 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.43 2cg3 h ALA 191 CO 0.00 0.17 -0.78 0.08 0.00 0.00 0.00 179.25 178.72 2cg3 s VAL 192 N -4.71 0.63 -0.04 0.00 1.01 -0.93 -4.68 120.40 111.69 2cg3 s VAL 192 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2cg3 s VAL 192 Cb 0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2cg3 s VAL 192 CO 0.68 0.24 0.16 -1.10 0.00 0.00 0.00 175.10 175.09 2cg3 s GLN 193 N 0.86 3.41 -0.15 2.72 -0.21 -0.78 -4.35 119.66 121.15 2cg3 s GLN 193 Ca -0.12 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2cg3 s GLN 193 Cb -0.15 -3.10 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 2cg3 s GLN 193 CO 0.01 0.70 -0.15 0.42 -2.12 0.00 0.00 175.29 174.15 2cg3 s ILE 194 N -1.24 2.70 -0.13 1.08 1.01 -1.26 -1.15 121.20 122.21 2cg3 s ILE 194 Ca 0.24 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2cg3 s ILE 194 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2cg3 s ILE 194 CO 0.14 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.87 2cg3 s ILE 195 N 0.74 3.32 0.16 2.92 1.01 0.18 -0.24 121.20 129.31 2cg3 s ILE 195 Ca -0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 2cg3 s ILE 195 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2cg3 s ILE 195 CO 0.01 0.52 0.24 0.00 0.00 0.00 0.00 174.94 175.71 2cg3 s ALA 196 N 0.29 0.22 0.45 9.38 0.00 -1.03 0.04 121.76 131.10 2cg3 s ALA 196 Ca -0.08 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2cg3 s ALA 196 Cb -0.15 0.90 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2cg3 s ALA 196 CO 0.05 -0.62 1.28 -1.25 0.00 0.00 0.00 175.76 175.22 2cg3 s PRO 197 N -4.00 3.72 0.37 0.00 0.04 -1.26 -0.87 135.00 133.01 2cg3 s PRO 197 Ca 0.20 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 2cg3 s PRO 197 Cb 0.04 -2.55 -0.13 0.00 0.04 0.00 0.00 34.50 31.90 2cg3 s PRO 197 CO 0.02 -0.67 0.75 0.00 0.04 0.00 0.00 177.00 177.13 2cg3 n ALA 198 N -0.29 -1.00 -0.97 8.56 0.00 0.67 -0.40 120.51 127.09 2cg3 n ALA 198 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2cg3 n ALA 198 Cb 0.45 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2cg3 n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cg3 n GLY 199 N 1.55 0.59 0.27 0.00 0.00 -1.26 -2.72 105.19 103.62 2cg3 n GLY 199 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2cg3 n GLY 199 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2cg3 n PHE 200 N -2.50 0.00 0.00 1.61 7.35 0.47 -2.74 117.46 121.65 2cg3 n PHE 200 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2cg3 n PHE 200 Cb 0.05 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.88 2cg3 n PHE 200 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2cg3 n GLU 202 N 0.02 0.00 -0.00 -4.13 4.71 -1.26 -0.98 120.64 119.00 2cg3 n GLU 202 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 2cg3 n GLU 202 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 2cg3 n GLU 202 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cg3 n ALA 203 N 0.00 3.55 -0.28 0.62 0.00 -1.11 -4.48 120.51 118.81 2cg3 n ALA 203 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 2cg3 n ALA 203 Cb 0.00 -0.61 0.14 0.00 0.00 0.00 0.00 19.45 18.98 2cg3 n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cg3 h ALA 204 N 2.06 1.23 -3.15 0.00 0.00 -1.24 -3.46 119.26 114.70 2cg3 h ALA 204 Ca 0.00 -0.13 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 2cg3 h ALA 204 Cb 0.57 -0.33 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2cg3 h ALA 204 CO 0.00 0.62 -0.59 0.42 0.00 0.00 0.00 179.25 179.70 2cg3 s ILE 205 N -5.75 4.62 0.00 0.00 1.09 -1.26 -4.82 121.20 115.08 2cg3 s ILE 205 Ca -0.12 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 2cg3 s ILE 205 Cb 0.17 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 2cg3 s ILE 205 CO 0.82 0.30 0.00 0.52 -0.10 0.00 0.00 174.94 176.48 2cg3 n VAL 209 N 1.04 0.00 0.32 2.92 0.31 -1.26 -4.99 118.33 116.67 2cg3 n VAL 209 Ca -0.12 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.36 2cg3 n VAL 209 Cb 0.52 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 34.00 2cg3 n VAL 209 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2cg3 h LEU 210 N 0.00 0.00 -3.26 7.52 3.38 -1.99 -0.74 115.31 120.23 2cg3 h LEU 210 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2cg3 h LEU 210 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2cg3 h LEU 210 CO 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.10 2cg3 n ALA 211 N -2.00 4.17 -0.38 1.53 0.00 -1.26 -4.87 120.51 117.70 2cg3 n ALA 211 Ca 0.02 -3.37 -0.01 0.00 0.00 0.00 0.00 53.44 50.08 2cg3 n ALA 211 Cb 0.33 -0.47 0.13 0.00 0.00 0.00 0.00 19.45 19.44 2cg3 n ALA 211 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2cg3 h GLY 212 N 1.26 1.45 1.31 0.00 0.00 -1.59 -1.74 103.07 103.75 2cg3 h GLY 212 Ca 0.14 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2cg3 h GLY 212 CO 0.28 0.47 0.09 -0.57 0.00 0.00 0.00 176.54 176.81 2cg3 h ASN 213 N 1.32 0.81 -0.11 0.19 -1.24 -1.89 -3.43 115.58 111.23 2cg3 h ASN 213 Ca 0.39 -0.17 -0.53 0.00 0.71 0.00 0.00 56.30 56.70 2cg3 h ASN 213 Cb -0.07 -0.21 0.04 0.00 0.73 0.00 0.00 38.32 38.81 2cg3 h ASN 213 CO -0.10 0.82 1.74 0.00 -1.29 0.00 0.00 177.43 178.60 2cg3 n ALA 214 N -2.47 2.39 0.00 1.57 0.00 -0.66 -4.58 120.51 116.77 2cg3 n ALA 214 Ca 0.04 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.39 2cg3 n ALA 214 Cb 0.26 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.10 2cg3 n ALA 214 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cg3 n ARG 217 N 7.52 0.00 0.07 0.00 3.00 -1.26 -4.53 116.66 121.46 2cg3 n ARG 217 Ca 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.37 2cg3 n ARG 217 Cb 0.42 0.00 0.47 0.00 0.00 0.00 0.00 32.46 33.36 2cg3 n ARG 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cg3 h ARG 218 N 0.00 0.39 0.00 -0.14 3.08 -1.86 -0.86 114.38 114.99 2cg3 h ARG 218 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2cg3 h ARG 218 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2cg3 h ARG 218 CO 0.00 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 2cg3 h ALA 219 N 1.80 1.00 0.00 0.04 0.00 -1.84 -2.16 119.26 118.09 2cg3 h ALA 219 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cg3 h ALA 219 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2cg3 h ALA 219 CO -0.02 0.00 -0.09 1.79 0.00 0.00 0.00 179.25 180.93 2cg3 h THR 220 N 0.00 0.60 0.09 0.00 1.35 -1.55 -0.68 112.91 112.73 2cg3 h THR 220 Ca 0.00 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2cg3 h THR 220 Cb 0.36 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2cg3 h THR 220 CO 0.00 0.08 -0.04 1.88 -0.25 0.00 0.00 175.52 177.19 2cg3 h TYR 221 N 0.00 -0.12 -0.31 4.73 0.99 -1.54 -1.23 116.97 119.49 2cg3 h TYR 221 Ca -0.00 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 2cg3 h TYR 221 Cb 0.23 0.04 -0.07 0.00 1.00 0.00 0.00 36.73 37.92 2cg3 h TYR 221 CO 0.00 0.28 -0.18 1.96 -0.00 0.00 0.00 178.16 180.22 2cg3 h GLN 222 N -0.97 -0.13 0.00 4.88 1.08 -1.53 -1.78 115.11 116.66 2cg3 h GLN 222 Ca -0.01 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2cg3 h GLN 222 Cb 0.44 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2cg3 h GLN 222 CO 0.02 -0.09 -0.09 1.88 -0.95 0.00 0.00 178.83 179.61 2cg3 h TYR 223 N -0.14 0.00 -3.82 2.96 0.05 -1.28 -3.40 116.97 111.34 2cg3 h TYR 223 Ca 0.16 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.73 2cg3 h TYR 223 Cb 0.38 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.21 2cg3 h TYR 223 CO -0.38 0.00 -0.40 0.41 -1.05 0.00 0.00 178.16 176.75 2cg3 n GLY 224 N 1.20 0.07 0.29 3.88 0.00 -0.55 -4.87 105.19 105.22 2cg3 n GLY 224 Ca 0.04 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.10 2cg3 n GLY 224 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2cg3 h THR 225 N -1.35 0.00 -0.42 2.61 1.35 -1.61 -0.97 112.91 112.51 2cg3 h THR 225 Ca -0.32 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2cg3 h THR 225 Cb 1.20 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2cg3 h THR 225 CO 0.30 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 2cg3 n GLN 226 N -3.00 2.48 -3.38 4.72 6.02 -1.26 -4.99 117.38 117.97 2cg3 n GLN 226 Ca -0.01 -2.16 -0.32 0.00 -0.01 0.00 0.00 57.00 54.50 2cg3 n GLN 226 Cb 0.20 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 2cg3 n GLN 226 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2cg3 s LEU 227 N -1.10 4.17 0.68 1.08 1.43 -0.37 -5.07 118.68 119.50 2cg3 s LEU 227 Ca 0.32 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.26 2cg3 s LEU 227 Cb 0.18 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2cg3 s LEU 227 CO 0.24 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 2cg3 s PRO 228 N -2.77 2.76 0.02 1.29 0.04 -1.26 -4.62 135.00 130.45 2cg3 s PRO 228 Ca 0.47 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2cg3 s PRO 228 Cb -0.11 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2cg3 s PRO 228 CO 0.21 -1.26 1.19 0.15 0.04 0.00 0.00 177.00 177.32 2cg3 s LYS 229 N -4.38 4.41 0.00 4.56 1.02 -1.26 -1.47 119.74 122.62 2cg3 s LYS 229 Ca 0.64 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2cg3 s LYS 229 Cb -0.18 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2cg3 s LYS 229 CO 0.46 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2cg3 n GLY 230 N 3.25 1.99 0.00 -3.33 0.00 -0.65 -4.88 105.19 101.57 2cg3 n GLY 230 Ca 0.09 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 45.14 2cg3 n GLY 230 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cg3 n PRO 231 N -0.88 0.19 -0.06 1.61 -0.04 -1.26 -0.93 135.00 133.62 2cg3 n PRO 231 Ca 0.00 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2cg3 n PRO 231 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2cg3 n PRO 231 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2cg3 n GLN 232 N -1.29 2.41 0.00 0.54 6.02 -1.26 -4.55 117.38 119.24 2cg3 n GLN 232 Ca 0.07 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 2cg3 n GLN 232 Cb 0.12 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2cg3 n GLN 232 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cg3 n GLY 233 N -0.73 5.55 3.75 1.08 0.00 -0.11 -4.95 105.19 109.79 2cg3 n GLY 233 Ca 0.08 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2cg3 n GLY 233 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cg3 s GLN 234 N 4.15 4.14 0.00 1.61 -0.44 -0.54 -4.64 119.66 123.93 2cg3 s GLN 234 Ca 0.00 2.54 0.00 0.00 -2.50 0.00 0.00 55.36 55.40 2cg3 s GLN 234 Cb 0.00 -3.02 0.00 0.00 -1.64 0.00 0.00 33.01 28.35 2cg3 s GLN 234 CO 0.00 -0.59 0.00 1.33 0.50 0.00 0.00 175.29 176.53 2cg3 n VAL 235 N 1.88 0.00 -1.60 1.34 0.24 -1.26 -1.64 118.33 117.28 2cg3 n VAL 235 Ca 0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2cg3 n VAL 235 Cb 0.38 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 2cg3 n VAL 235 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2cg3 n ASP 236 N -0.61 0.09 0.04 -1.34 2.03 -1.26 -4.85 116.55 110.65 2cg3 n ASP 236 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2cg3 n ASP 236 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2cg3 n ASP 236 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cg3 n ALA 238 N -3.00 3.00 1.25 -1.67 0.00 -1.26 -4.83 120.51 114.00 2cg3 n ALA 238 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2cg3 n ALA 238 Cb 0.00 0.06 0.41 0.00 0.00 0.00 0.00 19.45 19.92 2cg3 n ALA 238 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2cg3 n ILE 239 N -2.96 0.00 -3.89 0.00 -5.35 -1.26 -4.93 119.36 100.97 2cg3 n ILE 239 Ca 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2cg3 n ILE 239 Cb 0.00 0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.21 2cg3 n ILE 239 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cg3 n GLY 240 N 1.34 0.51 0.17 3.28 0.00 -1.25 -4.09 105.19 105.14 2cg3 n GLY 240 Ca 0.12 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.15 2cg3 n GLY 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cg3 h LYS 241 N 0.00 0.00 0.00 1.61 1.79 -1.83 -3.46 116.57 114.68 2cg3 h LYS 241 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2cg3 h LYS 241 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2cg3 h LYS 241 CO 0.24 0.44 0.00 0.41 -1.08 0.00 0.00 179.45 179.46 2cg3 n GLY 242 N 0.26 -0.38 3.81 3.86 0.00 -1.26 -4.24 105.19 107.25 2cg3 n GLY 242 Ca -0.00 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 2cg3 n GLY 242 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cg3 s LEU 243 N 0.00 4.28 0.33 0.99 2.96 -1.26 -2.60 118.68 123.37 2cg3 s LEU 243 Ca 0.00 0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 54.00 2cg3 s LEU 243 Cb 0.00 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 2cg3 s LEU 243 CO 0.00 0.32 1.05 0.00 -1.32 0.00 0.00 176.35 176.40 2cg3 s ALA 244 N -0.50 3.26 -0.25 5.97 0.00 -1.26 -4.95 121.76 124.02 2cg3 s ALA 244 Ca 0.12 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2cg3 s ALA 244 Cb -0.12 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2cg3 s ALA 244 CO 0.02 -0.11 0.20 1.03 0.00 0.00 0.00 175.76 176.89 2cg3 s ARG 245 N -1.88 4.04 0.00 0.00 3.00 -0.27 -4.87 118.95 118.97 2cg3 s ARG 245 Ca 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 55.73 55.99 2cg3 s ARG 245 Cb -0.26 -3.58 0.00 0.00 0.00 0.00 0.00 34.95 31.10 2cg3 s ARG 245 CO 0.33 -0.04 0.00 0.41 0.00 0.00 0.00 175.30 176.00 2cg3 n GLY 246 N 4.53 0.40 3.70 -3.53 0.00 -1.26 -4.04 105.19 104.99 2cg3 n GLY 246 Ca -0.14 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 2cg3 n GLY 246 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2cg3 s PRO 247 N -2.00 1.75 -0.25 1.61 0.02 -1.26 -4.93 135.00 129.93 2cg3 s PRO 247 Ca 0.00 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.68 2cg3 s PRO 247 Cb 0.00 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 2cg3 s PRO 247 CO 0.00 -2.14 0.20 -1.17 -0.33 0.00 0.00 177.00 173.56 2cg3 s LEU 248 N -5.57 4.08 0.29 -5.54 2.96 -1.26 -4.36 118.68 109.27 2cg3 s LEU 248 Ca 0.74 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 2cg3 s LEU 248 Cb -0.29 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 2cg3 s LEU 248 CO 0.49 0.00 0.03 -0.94 -1.32 0.00 0.00 176.35 174.62 2cg3 s SER 249 N 1.34 4.57 -0.29 3.68 1.04 -0.50 -4.47 113.70 119.06 2cg3 s SER 249 Ca 0.08 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 2cg3 s SER 249 Cb -0.15 -0.81 0.12 0.00 0.10 0.00 0.00 66.02 65.28 2cg3 s SER 249 CO 0.07 -0.08 0.76 -0.22 0.98 0.00 0.00 173.24 174.75 2cg3 s LEU 250 N -3.72 -0.89 -0.10 2.42 0.20 -1.26 -3.86 118.68 111.47 2cg3 s LEU 250 Ca 0.33 1.33 0.04 0.00 0.69 0.00 0.00 54.13 56.52 2cg3 s LEU 250 Cb -0.05 2.17 0.00 0.00 -0.43 0.00 0.00 46.19 47.88 2cg3 s LEU 250 CO 0.21 -0.20 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.09 2cg3 s LEU 251 N 2.08 2.00 0.24 -0.68 1.43 -1.26 -4.89 118.68 117.59 2cg3 s LEU 251 Ca -0.08 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2cg3 s LEU 251 Cb -0.07 -1.30 -0.15 0.00 0.03 0.00 0.00 46.19 44.71 2cg3 s LEU 251 CO -0.19 0.13 1.13 0.00 0.23 0.00 0.00 176.35 177.66 2cg3 n ALA 252 N 3.62 -0.22 -0.92 4.21 0.00 -1.26 -4.97 120.51 120.97 2cg3 n ALA 252 Ca -0.20 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 2cg3 n ALA 252 Cb 0.53 -2.06 0.15 0.00 0.00 0.00 0.00 19.45 18.07 2cg3 n ALA 252 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2cg3 s PRO 253 N -0.93 1.14 -0.05 0.00 0.02 -1.26 -4.86 135.00 129.06 2cg3 s PRO 253 Ca 0.66 1.22 0.17 0.00 0.02 0.00 0.00 61.00 63.06 2cg3 s PRO 253 Cb -0.75 -1.76 -0.25 0.00 0.02 0.00 0.00 34.50 31.75 2cg3 s PRO 253 CO 0.55 -2.44 0.31 0.25 -0.33 0.00 0.00 177.00 175.34 2cg3 n THR 254 N -4.07 0.25 -3.84 0.99 -2.24 0.67 -4.95 114.28 101.09 2cg3 n THR 254 Ca 0.09 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.22 2cg3 n THR 254 Cb 0.53 -0.05 -0.17 0.00 -2.10 0.00 0.00 70.33 68.54 2cg3 n THR 254 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2cg3 s ARG 255 N -3.02 0.32 -0.00 -0.78 3.52 -0.99 -4.98 118.95 113.01 2cg3 s ARG 255 Ca -0.07 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.67 2cg3 s ARG 255 Cb 0.10 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 2cg3 s ARG 255 CO 0.71 -0.22 0.10 -0.51 -0.81 0.00 0.00 175.30 174.57 2cg3 s LEU 256 N 1.49 3.98 -0.29 -0.88 1.43 -1.26 -2.48 118.68 120.67 2cg3 s LEU 256 Ca -0.03 0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 2cg3 s LEU 256 Cb -0.13 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2cg3 s LEU 256 CO -0.03 0.27 0.54 -0.63 0.23 0.00 0.00 176.35 176.73 2cg3 s ILE 257 N -1.22 5.03 0.21 -0.59 -1.09 -0.05 -4.80 121.20 118.69 2cg3 s ILE 257 Ca 0.24 0.76 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 2cg3 s ILE 257 Cb -0.12 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2cg3 s ILE 257 CO 0.15 -0.03 0.34 -1.61 -1.23 0.00 0.00 174.94 172.56 2cg3 s GLU 258 N 2.40 3.45 6.03 2.79 0.41 -1.26 -0.24 118.70 132.27 2cg3 s GLU 258 Ca 0.22 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 2cg3 s GLU 258 Cb -0.15 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 2cg3 s GLU 258 CO 0.11 0.45 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 2cg3 n GLY 259 N -1.08 2.48 0.20 -1.39 0.00 -1.26 -2.32 105.19 101.81 2cg3 n GLY 259 Ca -0.08 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.63 2cg3 n GLY 259 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cg3 h GLU 260 N 0.00 0.00 0.00 1.61 4.39 -1.91 -3.43 114.58 115.24 2cg3 h GLU 260 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cg3 h GLU 260 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2cg3 h GLU 260 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2cg3 n GLY 261 N 1.14 -0.43 3.39 -3.84 0.00 -0.98 -0.54 105.19 103.93 2cg3 n GLY 261 Ca 0.04 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2cg3 n GLY 261 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cg3 s GLU 262 N -2.00 1.13 -0.28 1.61 2.12 -1.12 -4.69 118.70 115.47 2cg3 s GLU 262 Ca 0.00 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 2cg3 s GLU 262 Cb 0.00 0.51 0.01 0.00 0.26 0.00 0.00 34.13 34.92 2cg3 s GLU 262 CO 0.00 -0.45 0.03 -0.51 -0.54 0.00 0.00 175.26 173.79 2cg3 s ASP 263 N -2.41 4.84 0.36 -1.70 1.01 -1.26 -2.12 116.67 115.39 2cg3 s ASP 263 Ca -0.01 -0.75 0.09 0.00 0.71 0.00 0.00 52.55 52.58 2cg3 s ASP 263 Cb -0.00 -1.80 -0.06 0.00 1.01 0.00 0.00 42.92 42.06 2cg3 s ASP 263 CO -0.08 -0.16 -0.02 -0.76 0.21 0.00 0.00 175.17 174.36 2cg3 s LEU 264 N 1.44 2.87 -0.05 1.23 1.43 -0.28 -5.00 118.68 120.32 2cg3 s LEU 264 Ca 0.02 -1.17 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 2cg3 s LEU 264 Cb -0.17 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2cg3 s LEU 264 CO 0.00 -0.30 -0.19 -0.69 0.23 0.00 0.00 176.35 175.40 2cg3 s VAL 265 N -2.61 1.59 -0.09 -1.59 1.01 -1.26 -1.23 120.40 116.21 2cg3 s VAL 265 Ca 0.34 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2cg3 s VAL 265 Cb 0.04 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2cg3 s VAL 265 CO 0.18 0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 174.92 2cg3 s LEU 266 N 0.07 1.05 -1.62 3.92 1.43 0.52 -4.78 118.68 119.27 2cg3 s LEU 266 Ca -0.06 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 2cg3 s LEU 266 Cb -0.13 -0.69 0.11 0.00 0.03 0.00 0.00 46.19 45.52 2cg3 s LEU 266 CO 0.03 -0.13 0.72 -0.67 0.23 0.00 0.00 176.35 176.53 2cg3 n ASP 267 N 4.86 -2.74 0.00 2.29 2.03 -1.26 -0.61 116.55 121.11 2cg3 n ASP 267 Ca -0.13 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2cg3 n ASP 267 Cb 0.50 -2.93 0.00 0.00 -0.72 0.00 0.00 41.12 37.97 2cg3 n ASP 267 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cg3 n GLY 268 N -1.58 1.26 3.47 0.27 0.00 -1.26 0.74 105.19 108.10 2cg3 n GLY 268 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2cg3 n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cg3 s VAL 269 N -2.78 3.83 0.15 1.61 1.01 0.21 -4.94 120.40 119.49 2cg3 s VAL 269 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2cg3 s VAL 269 Cb 0.00 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 2cg3 s VAL 269 CO 0.00 0.48 1.10 -2.16 0.00 0.00 0.00 175.10 174.52 2cg3 s PRO 270 N 0.57 4.57 -0.02 2.72 0.04 -1.26 -0.36 135.00 141.26 2cg3 s PRO 270 Ca -0.03 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.78 2cg3 s PRO 270 Cb -0.14 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2cg3 s PRO 270 CO 0.03 0.02 -0.20 -0.06 0.04 0.00 0.00 177.00 176.83 2cg3 s PHE 271 N 0.02 1.78 -0.16 0.56 0.08 -0.37 -4.15 117.98 115.74 2cg3 s PHE 271 Ca 0.51 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.20 2cg3 s PHE 271 Cb -0.29 -1.15 -0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2cg3 s PHE 271 CO 0.34 -0.05 -0.15 0.99 -0.10 0.00 0.00 175.22 176.25 2cg3 s THR 272 N -0.40 2.69 -0.21 0.64 2.01 0.56 -1.12 115.64 119.81 2cg3 s THR 272 Ca 0.06 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 2cg3 s THR 272 Cb -0.08 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2cg3 s THR 272 CO -0.00 0.51 0.26 -0.36 -0.69 0.00 0.00 174.62 174.34 2cg3 s PHE 273 N 0.85 3.37 -0.26 4.92 0.08 -0.90 -0.05 117.98 125.99 2cg3 s PHE 273 Ca -0.04 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 2cg3 s PHE 273 Cb -0.15 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2cg3 s PHE 273 CO -0.01 0.09 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.02 2cg3 s GLN 274 N 0.99 2.68 0.18 0.44 0.74 0.17 -2.80 119.66 122.05 2cg3 s GLN 274 Ca 0.13 -1.08 -0.28 0.00 0.05 0.00 0.00 55.36 54.18 2cg3 s GLN 274 Cb -0.14 -3.04 -0.08 0.00 1.10 0.00 0.00 33.01 30.86 2cg3 s GLN 274 CO 0.05 -0.47 0.87 -0.80 -0.55 0.00 0.00 175.29 174.38 2cg3 s ASN 275 N 1.29 7.49 -0.24 6.67 0.01 0.30 -0.41 114.94 130.06 2cg3 s ASN 275 Ca -0.02 1.77 -0.21 0.00 -0.71 0.00 0.00 52.86 53.69 2cg3 s ASN 275 Cb -0.18 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.84 2cg3 s ASN 275 CO -0.03 0.13 0.92 0.41 -1.51 0.00 0.00 177.10 177.01 2cg3 n THR 276 N 1.85 0.00 -2.08 1.60 -1.04 -0.40 -4.89 114.28 109.32 2cg3 n THR 276 Ca -0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.70 2cg3 n THR 276 Cb 0.48 -0.24 0.06 0.00 -1.82 0.00 0.00 70.33 68.81 2cg3 n THR 276 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2cg3 s PRO 277 N 2.30 2.57 -0.35 -2.82 0.02 -1.26 -4.26 135.00 131.20 2cg3 s PRO 277 Ca 0.54 0.13 0.07 0.00 0.02 0.00 0.00 61.00 61.77 2cg3 s PRO 277 Cb -0.71 -2.10 0.58 0.00 0.02 0.00 0.00 34.50 32.29 2cg3 s PRO 277 CO 0.34 -1.10 1.66 0.41 -0.33 0.00 0.00 177.00 177.98 2cg3 n GLY 278 N -2.94 4.67 3.56 0.52 0.00 -1.26 -5.03 105.19 104.71 2cg3 n GLY 278 Ca 0.07 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2cg3 n GLY 278 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2cg3 n THR 279 N -1.07 2.76 0.15 2.61 5.66 -1.26 -4.94 114.28 118.19 2cg3 n THR 279 Ca 0.44 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.95 2cg3 n THR 279 Cb 1.30 -0.98 0.17 0.00 -1.55 0.00 0.00 70.33 69.27 2cg3 n THR 279 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2cg3 h GLU 280 N 0.78 0.00 -1.77 1.09 3.07 -1.94 -3.38 114.58 112.43 2cg3 h GLU 280 Ca -0.46 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 57.80 2cg3 h GLU 280 Cb 1.37 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.87 2cg3 h GLU 280 CO 0.52 0.55 -0.57 0.43 -1.40 0.00 0.00 179.01 178.54 2cg3 n SER 281 N -3.52 4.86 -4.66 1.42 7.64 -1.26 -4.74 113.62 113.35 2cg3 n SER 281 Ca -0.00 -3.72 -0.45 0.00 1.01 0.00 0.00 58.87 55.71 2cg3 n SER 281 Cb 0.64 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2cg3 n SER 281 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2cg3 n PRO 282 N -0.41 2.00 -0.21 1.43 -0.04 -1.10 -4.71 135.00 131.95 2cg3 n PRO 282 Ca 0.38 0.71 0.09 0.00 -0.04 0.00 0.00 63.50 64.64 2cg3 n PRO 282 Cb 0.55 -2.39 0.20 0.00 -0.04 0.00 0.00 33.50 31.83 2cg3 n PRO 282 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cg3 n ALA 283 N 2.25 2.34 -3.83 0.55 0.00 -1.26 -3.80 120.51 116.75 2cg3 n ALA 283 Ca 0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 2cg3 n ALA 283 Cb 0.30 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 19.08 2cg3 n ALA 283 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cg3 s GLU 284 N -1.14 1.34 0.21 0.00 2.12 -1.26 -1.47 118.70 118.50 2cg3 s GLU 284 Ca 0.33 -0.83 0.07 0.00 0.36 0.00 0.00 54.97 54.90 2cg3 s GLU 284 Cb 0.18 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.93 2cg3 s GLU 284 CO 0.25 -0.63 0.11 -0.80 -0.54 0.00 0.00 175.26 173.66 2cg3 s ASN 286 N -3.22 5.27 -0.11 -1.70 0.01 0.46 -1.27 114.94 114.36 2cg3 s ASN 286 Ca 0.18 -0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 52.04 2cg3 s ASN 286 Cb -0.02 -1.28 0.04 0.00 0.41 0.00 0.00 41.25 40.39 2cg3 s ASN 286 CO 0.05 0.03 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.03 2cg3 s ILE 287 N -1.93 0.60 -0.14 0.60 1.01 -0.46 -0.66 121.20 120.21 2cg3 s ILE 287 Ca 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 2cg3 s ILE 287 Cb -0.09 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2cg3 s ILE 287 CO 0.23 0.17 -0.08 0.86 0.00 0.00 0.00 174.94 176.11 2cg3 s TRP 288 N 1.87 2.92 -0.40 3.97 -0.11 0.93 0.20 118.94 128.31 2cg3 s TRP 288 Ca 0.03 -0.47 -0.01 0.00 1.22 0.00 0.00 56.10 56.87 2cg3 s TRP 288 Cb -0.14 -1.90 0.11 0.00 -1.50 0.00 0.00 33.47 30.04 2cg3 s TRP 288 CO -0.07 -0.12 0.17 -0.51 -4.62 0.00 0.00 176.95 171.80 2cg3 s LEU 289 N 0.35 5.11 0.40 5.86 1.43 0.39 -0.32 118.68 131.91 2cg3 s LEU 289 Ca -0.08 -2.12 0.14 0.00 -1.03 0.00 0.00 54.13 51.05 2cg3 s LEU 289 Cb -0.15 -1.77 0.85 0.00 0.03 0.00 0.00 46.19 45.14 2cg3 s LEU 289 CO 0.04 -0.49 1.89 -0.65 0.23 0.00 0.00 176.35 177.37 2cg3 h PRO 290 N 7.86 0.00 -0.23 1.29 0.11 -1.84 0.72 132.00 139.92 2cg3 h PRO 290 Ca -0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2cg3 h PRO 290 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2cg3 h PRO 290 CO 0.65 0.30 0.01 -0.09 -0.21 0.00 0.00 178.00 178.66 2cg3 h ARG 291 N 0.00 0.40 -0.07 1.05 2.43 -1.94 -2.88 114.38 113.37 2cg3 h ARG 291 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2cg3 h ARG 291 Cb 0.55 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2cg3 h ARG 291 CO 0.04 0.57 0.00 1.04 -1.51 0.00 0.00 179.97 180.11 2cg3 n GLN 292 N -4.67 1.63 -3.90 0.20 3.00 -1.00 -4.92 117.38 107.72 2cg3 n GLN 292 Ca -0.04 -0.92 -0.28 0.00 -0.01 0.00 0.00 57.00 55.75 2cg3 n GLN 292 Cb 0.23 -1.45 -0.00 0.00 0.00 0.00 0.00 30.24 29.02 2cg3 n GLN 292 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2cg3 n LYS 293 N 0.12 -2.51 -4.61 -1.09 4.76 0.12 -4.73 118.16 110.23 2cg3 n LYS 293 Ca 0.18 0.39 -0.30 0.00 -2.87 0.00 0.00 58.31 55.71 2cg3 n LYS 293 Cb 0.32 -4.27 -0.17 0.00 -1.84 0.00 0.00 35.03 29.07 2cg3 n LYS 293 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cg3 s ALA 294 N -3.81 1.91 -0.36 7.82 0.00 -0.47 -0.81 121.76 126.04 2cg3 s ALA 294 Ca 0.16 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2cg3 s ALA 294 Cb -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.21 2cg3 s ALA 294 CO 0.89 -0.02 0.17 -1.17 0.00 0.00 0.00 175.76 175.63 2cg3 s LEU 295 N 0.85 4.56 0.00 0.00 2.96 -0.12 -0.46 118.68 126.48 2cg3 s LEU 295 Ca -0.08 -1.01 0.03 0.00 -0.22 0.00 0.00 54.13 52.84 2cg3 s LEU 295 Cb -0.15 -1.97 0.08 0.00 0.50 0.00 0.00 46.19 44.64 2cg3 s LEU 295 CO -0.00 -0.36 0.62 -0.11 -1.32 0.00 0.00 176.35 175.18 2cg3 n LEU 296 N 4.94 0.00 -4.48 -0.68 0.00 0.13 -0.14 117.00 116.77 2cg3 n LEU 296 Ca -0.12 -1.57 -0.23 0.00 0.00 0.00 0.00 56.01 54.09 2cg3 n LEU 296 Cb 0.46 -0.37 -0.11 0.00 0.00 0.00 0.00 43.42 43.40 2cg3 n LEU 296 CO 0.35 -0.74 -0.28 0.00 0.00 0.00 0.00 177.39 176.71 2cg3 s ALA 298 N -2.77 2.50 -0.08 1.96 0.00 -1.26 -1.36 121.76 120.75 2cg3 s ALA 298 Ca 0.44 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2cg3 s ALA 298 Cb -0.03 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2cg3 s ALA 298 CO 0.28 -0.25 0.00 -1.91 0.00 0.00 0.00 175.76 173.88 2cg3 n GLU 299 N -0.73 0.00 0.04 0.00 2.13 -1.26 -1.72 120.64 119.11 2cg3 n GLU 299 Ca -0.03 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.90 2cg3 n GLU 299 Cb 0.66 -0.78 -0.07 0.00 0.27 0.00 0.00 31.44 31.53 2cg3 n GLU 299 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2cg3 n ASN 300 N 0.53 0.46 -3.84 4.31 3.02 -1.26 -4.84 115.26 113.64 2cg3 n ASN 300 Ca 0.00 0.05 -0.24 0.00 -0.03 0.00 0.00 54.58 54.36 2cg3 n ASN 300 Cb 0.00 1.15 -0.17 0.00 -0.61 0.00 0.00 39.78 40.15 2cg3 n ASN 300 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2cg3 s VAL 301 N -3.38 0.61 0.27 2.41 1.01 -0.70 -5.00 120.40 115.62 2cg3 s VAL 301 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2cg3 s VAL 301 Cb 0.13 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2cg3 s VAL 301 CO 0.84 0.29 0.34 0.68 0.00 0.00 0.00 175.10 177.25 2cg3 s VAL 302 N 1.67 0.00 -0.90 2.92 -7.23 -1.26 -4.81 120.40 110.79 2cg3 s VAL 302 Ca 0.02 -1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2cg3 s VAL 302 Cb -0.13 -2.46 -0.14 0.00 0.56 0.00 0.00 36.38 34.22 2cg3 s VAL 302 CO -0.05 0.00 2.90 0.61 -0.31 0.00 0.00 175.10 178.25 2cg3 n GLY 303 N -0.43 3.48 0.00 2.32 0.00 -1.26 -4.71 105.19 104.59 2cg3 n GLY 303 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2cg3 n GLY 303 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2cg3 n THR 304 N 3.33 0.00 -1.79 2.61 5.66 -0.71 -4.71 114.28 118.68 2cg3 n THR 304 Ca 0.57 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.15 2cg3 n THR 304 Cb 0.42 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 2cg3 n THR 304 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2cg3 s LEU 305 N 0.00 4.38 0.71 1.09 2.96 -0.60 -4.79 118.68 122.43 2cg3 s LEU 305 Ca 0.00 2.76 -0.07 0.00 -0.22 0.00 0.00 54.13 56.60 2cg3 s LEU 305 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 2cg3 s LEU 305 CO 0.00 -0.94 1.02 -2.28 -1.32 0.00 0.00 176.35 172.83 2cg3 s HIS 306 N 1.66 2.78 0.06 5.38 5.65 -1.26 -1.10 115.29 128.46 2cg3 s HIS 306 Ca 0.75 0.39 -0.28 0.00 0.25 0.00 0.00 55.06 56.17 2cg3 s HIS 306 Cb -0.47 -3.22 -0.05 0.00 -1.18 0.00 0.00 32.58 27.66 2cg3 s HIS 306 CO 0.33 -1.48 0.90 -0.80 -0.65 0.00 0.00 174.74 173.04 2cg3 s ASN 307 N -4.54 7.37 0.15 9.88 0.01 -1.26 -3.71 114.94 122.82 2cg3 s ASN 307 Ca 0.61 1.64 0.24 0.00 -0.71 0.00 0.00 52.86 54.64 2cg3 s ASN 307 Cb -0.10 -2.54 0.26 0.00 0.41 0.00 0.00 41.25 39.27 2cg3 s ASN 307 CO 0.45 -0.10 1.26 -0.07 -1.51 0.00 0.00 177.10 177.13 2cg3 h LEU 308 N 5.97 0.00 -6.86 0.60 3.38 -1.94 -3.45 115.31 113.02 2cg3 h LEU 308 Ca -0.43 -0.17 -0.22 0.00 0.09 0.00 0.00 57.88 57.16 2cg3 h LEU 308 Cb 1.21 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.64 2cg3 h LEU 308 CO 0.73 0.08 -0.53 -0.47 0.09 0.00 0.00 178.44 178.34 2cg3 s TYR 309 N -3.21 -0.53 0.17 1.13 5.04 -1.26 0.06 117.35 118.75 2cg3 s TYR 309 Ca 0.05 0.76 -0.30 0.00 -2.44 0.00 0.00 57.07 55.14 2cg3 s TYR 309 Cb 0.12 -0.08 -0.08 0.00 0.35 0.00 0.00 41.96 42.27 2cg3 s TYR 309 CO 0.74 -0.54 1.20 0.95 -1.34 0.00 0.00 175.55 176.55 2cg3 s THR 310 N 2.45 3.61 0.60 4.34 -4.23 -1.26 -4.92 115.64 116.23 2cg3 s THR 310 Ca 0.06 1.34 0.30 0.00 -1.18 0.00 0.00 61.69 62.20 2cg3 s THR 310 Cb -0.14 -3.85 0.36 0.00 1.34 0.00 0.00 72.50 70.21 2cg3 s THR 310 CO -0.12 0.20 2.08 -0.07 -0.54 0.00 0.00 174.62 176.18 2cg3 h LEU 311 N 5.40 0.00 -0.36 4.79 4.07 -1.99 -0.44 115.31 126.78 2cg3 h LEU 311 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2cg3 h LEU 311 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2cg3 h LEU 311 CO 0.75 0.00 0.00 -2.11 -1.08 0.00 0.00 178.44 176.00 2cg3 n ARG 312 N -3.70 0.18 -0.02 1.13 1.85 -1.26 -4.94 116.66 109.90 2cg3 n ARG 312 Ca 0.02 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 2cg3 n ARG 312 Cb 0.35 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 2cg3 n ARG 312 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cg3 n GLY 313 N 0.51 1.10 3.84 2.89 0.00 -0.17 -4.71 105.19 108.64 2cg3 n GLY 313 Ca 0.04 -1.28 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 2cg3 n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cg3 s ALA 314 N -0.07 -1.24 0.13 4.61 0.00 -1.26 -4.92 121.76 119.00 2cg3 s ALA 314 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 51.96 51.17 2cg3 s ALA 314 Cb 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 23.12 23.67 2cg3 s ALA 314 CO 0.00 -1.03 0.94 0.39 0.00 0.00 0.00 175.76 176.06 2cg3 n GLU 315 N -0.60 0.45 -2.00 0.00 4.71 -1.26 -4.85 120.64 117.09 2cg3 n GLU 315 Ca -0.05 0.16 -0.42 0.00 -0.01 0.00 0.00 57.16 56.84 2cg3 n GLU 315 Cb 0.60 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 29.49 2cg3 n GLU 315 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2cg3 s VAL 316 N -0.38 2.67 1.05 2.62 1.01 -1.26 -4.72 120.40 121.39 2cg3 s VAL 316 Ca 0.76 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 2cg3 s VAL 316 Cb -1.01 -3.34 0.23 0.00 0.00 0.00 0.00 36.38 32.26 2cg3 s VAL 316 CO 0.55 0.07 1.22 -0.13 0.00 0.00 0.00 175.10 176.81 2cg3 s ARG 317 N 0.07 -0.04 -0.63 2.72 0.52 0.11 -5.03 118.95 116.67 2cg3 s ARG 317 Ca 0.62 -0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 55.57 2cg3 s ARG 317 Cb -0.42 -1.75 0.16 0.00 0.52 0.00 0.00 34.95 33.46 2cg3 s ARG 317 CO 0.40 -2.90 0.47 0.34 0.02 0.00 0.00 175.30 173.63 2cg3 s ASP 318 N -4.42 5.56 0.29 0.23 2.15 -1.26 -4.92 116.67 114.30 2cg3 s ASP 318 Ca 0.72 -2.67 0.01 0.00 0.43 0.00 0.00 52.55 51.03 2cg3 s ASP 318 Cb -0.07 -1.93 0.45 0.00 -0.30 0.00 0.00 42.92 41.06 2cg3 s ASP 318 CO 0.54 -0.45 1.82 0.00 -0.17 0.00 0.00 175.17 176.91 2cg3 h ALA 319 N 7.38 1.23 0.82 3.66 0.00 -1.96 0.11 119.26 130.49 2cg3 h ALA 319 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2cg3 h ALA 319 Cb 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cg3 h ALA 319 CO 0.73 0.52 -0.46 1.25 0.00 0.00 0.00 179.25 181.29 2cg3 h LEU 320 N 0.67 -1.14 -0.79 0.00 5.85 -1.91 0.13 115.31 118.12 2cg3 h LEU 320 Ca 0.14 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.03 2cg3 h LEU 320 Cb 0.37 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 2cg3 h LEU 320 CO 0.01 -0.74 0.40 1.23 -0.34 0.00 0.00 178.44 179.01 2cg3 h GLY 321 N -1.19 1.23 0.27 3.75 0.00 -1.95 -1.53 103.07 103.66 2cg3 h GLY 321 Ca -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2cg3 h GLY 321 CO 0.14 0.03 -0.46 -0.25 0.00 0.00 0.00 176.54 176.00 2cg3 h TRP 322 N 0.63 -1.30 -0.74 5.60 2.91 -0.42 0.30 115.95 122.93 2cg3 h TRP 322 Ca 0.41 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.56 2cg3 h TRP 322 Cb 0.49 0.54 -0.08 0.00 -0.51 0.00 0.00 29.16 29.61 2cg3 h TRP 322 CO -0.10 -0.56 0.36 1.03 -1.03 0.00 0.00 178.44 178.15 2cg3 h SER 323 N -0.73 0.45 -0.23 2.65 0.87 -0.42 -1.74 113.55 114.40 2cg3 h SER 323 Ca 0.00 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2cg3 h SER 323 Cb 0.73 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2cg3 h SER 323 CO -0.23 0.24 -0.12 0.11 -0.53 0.00 0.00 176.83 176.30 2cg3 h LYS 324 N 0.59 0.63 -0.45 2.24 1.57 -0.86 -2.71 116.57 117.57 2cg3 h LYS 324 Ca 0.38 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2cg3 h LYS 324 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2cg3 h LYS 324 CO -0.30 0.73 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.34 2cg3 h TYR 325 N 0.57 0.83 -0.45 -1.35 3.20 -0.11 -0.44 116.97 119.24 2cg3 h TYR 325 Ca 0.10 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 2cg3 h TYR 325 Cb 0.54 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2cg3 h TYR 325 CO 0.02 0.80 -0.23 0.82 -1.64 0.00 0.00 178.16 177.93 2cg3 h ILE 326 N 0.71 1.27 -0.74 1.81 2.04 -1.20 -2.24 117.51 119.17 2cg3 h ILE 326 Ca 0.13 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2cg3 h ILE 326 Cb 0.51 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2cg3 h ILE 326 CO 0.03 0.47 0.47 -1.13 0.00 0.00 0.00 178.15 177.99 2cg3 h ASN 327 N 0.80 0.87 -0.47 1.72 -1.24 -1.16 0.16 115.58 116.26 2cg3 h ASN 327 Ca 0.10 -0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.15 2cg3 h ASN 327 Cb 0.80 -0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.55 2cg3 h ASN 327 CO 0.07 0.66 0.03 -0.61 -1.29 0.00 0.00 177.43 176.28 2cg3 h GLN 328 N 1.01 0.14 -0.57 6.67 4.15 -0.73 -0.90 115.11 124.88 2cg3 h GLN 328 Ca 0.27 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.58 2cg3 h GLN 328 Cb -0.07 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2cg3 h GLN 328 CO -0.05 0.09 -0.05 0.00 -1.93 0.00 0.00 178.83 176.89 2cg3 h ALA 329 N 1.40 0.83 0.39 3.38 0.00 -0.63 0.35 119.26 124.97 2cg3 h ALA 329 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2cg3 h ALA 329 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2cg3 h ALA 329 CO -0.36 0.67 -0.27 1.25 0.00 0.00 0.00 179.25 180.54 2cg3 h LEU 330 N 0.94 -0.68 -1.30 0.00 5.85 0.16 0.26 115.31 120.54 2cg3 h LEU 330 Ca 0.16 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2cg3 h LEU 330 Cb 0.60 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2cg3 h LEU 330 CO 0.04 -0.41 -0.25 0.45 -0.34 0.00 0.00 178.44 177.92 2cg3 h HIS 331 N -0.64 0.16 0.21 1.25 3.86 -0.99 -1.27 115.15 117.73 2cg3 h HIS 331 Ca -0.04 -0.03 -0.35 0.00 -1.16 0.00 0.00 60.37 58.80 2cg3 h HIS 331 Cb 0.54 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.99 2cg3 h HIS 331 CO -0.12 0.40 -1.66 0.00 0.86 0.00 0.00 177.93 177.41 2cg3 h ARG 332 N 0.14 0.44 0.00 2.45 3.08 -0.62 -3.44 114.38 116.43 2cg3 h ARG 332 Ca 0.02 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.32 2cg3 h ARG 332 Cb 0.53 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2cg3 h ARG 332 CO 0.04 1.36 -0.63 1.19 -1.07 0.00 0.00 179.97 180.85 2cg3 n PHE 333 N -3.63 0.00 -0.35 3.04 3.01 0.74 -4.78 117.46 115.49 2cg3 n PHE 333 Ca -0.22 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.34 2cg3 n PHE 333 Cb 1.09 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.85 2cg3 n PHE 333 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2cg3 h GLY 334 N 0.00 1.62 1.51 1.37 0.00 0.10 -0.69 103.07 106.98 2cg3 h GLY 334 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2cg3 h GLY 334 CO 0.00 0.08 -0.01 0.54 0.00 0.00 0.00 176.54 177.15 2cg3 n ARG 335 N -4.65 0.46 -0.00 4.80 5.12 -1.01 -3.03 116.66 118.35 2cg3 n ARG 335 Ca 0.20 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2cg3 n ARG 335 Cb 0.45 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 2cg3 n ARG 335 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cg3 n GLN 336 N -1.26 -0.46 -2.34 5.56 10.64 -0.62 -5.06 117.38 123.84 2cg3 n GLN 336 Ca 0.15 -0.65 -0.39 0.00 -1.83 0.00 0.00 57.00 54.27 2cg3 n GLN 336 Cb 0.24 -1.01 -0.03 0.00 -0.86 0.00 0.00 30.24 28.58 2cg3 n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2cg3 s ALA 337 N -0.16 3.30 -0.40 2.61 0.00 -0.36 -4.91 121.76 121.84 2cg3 s ALA 337 Ca 0.01 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.99 2cg3 s ALA 337 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2cg3 s ALA 337 CO 0.01 -0.40 0.41 0.39 0.00 0.00 0.00 175.76 176.17 2cg3 n GLU 338 N 0.58 2.71 -1.41 0.00 -0.58 0.01 -3.97 120.64 117.99 2cg3 n GLU 338 Ca 0.02 -0.38 -0.01 0.00 -0.42 0.00 0.00 57.16 56.37 2cg3 n GLU 338 Cb 0.45 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 2cg3 n GLU 338 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2cg3 n VAL 339 N -0.43 0.00 0.00 2.62 3.14 -1.13 -2.29 118.33 120.23 2cg3 n VAL 339 Ca 0.02 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2cg3 n VAL 339 Cb 0.09 0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 2cg3 n VAL 339 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 2cg3 n PHE 341 N -0.04 0.00 -3.84 1.45 1.16 0.81 -0.94 117.46 116.06 2cg3 n PHE 341 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2cg3 n PHE 341 Cb 0.04 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.86 2cg3 n PHE 341 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2cg3 s ALA 342 N -2.00 -0.50 -1.82 1.98 0.00 -1.26 -4.27 121.76 113.89 2cg3 s ALA 342 Ca 0.00 -0.52 0.29 0.00 0.00 0.00 0.00 51.96 51.73 2cg3 s ALA 342 Cb 0.00 0.84 1.20 0.00 0.00 0.00 0.00 23.12 25.16 2cg3 s ALA 342 CO 0.00 -0.72 1.84 1.33 0.00 0.00 0.00 175.76 178.21 2cg3 n VAL 343 N -0.27 0.00 -3.87 0.00 0.24 -1.26 -4.73 118.33 108.43 2cg3 n VAL 343 Ca -0.09 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.00 2cg3 n VAL 343 Cb 0.63 0.02 -0.12 0.00 -1.47 0.00 0.00 33.84 32.89 2cg3 n VAL 343 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2cg3 s HIS 344 N -2.36 -0.00 0.00 6.34 3.76 -1.26 -0.56 115.29 121.20 2cg3 s HIS 344 Ca 0.31 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2cg3 s HIS 344 Cb 0.20 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2cg3 s HIS 344 CO 0.45 -0.12 0.00 0.09 -0.85 0.00 0.00 174.74 174.32 2cg3 n ASN 345 N 2.48 -1.43 -4.57 1.40 4.13 -1.26 -4.56 115.26 111.44 2cg3 n ASN 345 Ca -0.16 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 55.85 2cg3 n ASN 345 Cb 0.58 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.72 2cg3 n ASN 345 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 2cg3 s TRP 346 N 0.00 2.46 0.68 3.10 -2.14 -1.26 -4.69 118.94 117.09 2cg3 s TRP 346 Ca 0.00 -0.45 -0.10 0.00 2.66 0.00 0.00 56.10 58.22 2cg3 s TRP 346 Cb 0.00 -1.37 0.02 0.00 -3.10 0.00 0.00 33.47 29.02 2cg3 s TRP 346 CO 0.00 0.56 1.04 -2.14 -2.66 0.00 0.00 176.95 173.76 2cg3 s PRO 347 N -3.64 2.79 -0.03 3.25 0.02 -1.26 -4.74 135.00 131.39 2cg3 s PRO 347 Ca 0.33 0.28 0.08 0.00 0.02 0.00 0.00 61.00 61.70 2cg3 s PRO 347 Cb 0.00 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 2cg3 s PRO 347 CO 0.18 -0.98 -0.26 1.03 -0.33 0.00 0.00 177.00 176.63 2cg3 s ARG 348 N -5.26 2.21 0.04 5.54 3.00 -1.26 -4.82 118.95 118.40 2cg3 s ARG 348 Ca 0.57 -0.92 0.09 0.00 0.00 0.00 0.00 55.73 55.47 2cg3 s ARG 348 Cb -0.11 -2.07 -0.03 0.00 0.00 0.00 0.00 34.95 32.75 2cg3 s ARG 348 CO 0.49 0.52 -0.25 -1.58 0.00 0.00 0.00 175.30 174.48 2cg3 s TRP 349 N -0.50 2.20 0.00 -0.53 0.51 -1.26 -4.47 118.94 114.89 2cg3 s TRP 349 Ca 0.07 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.64 2cg3 s TRP 349 Cb -0.11 -1.32 0.00 0.00 -0.81 0.00 0.00 33.47 31.23 2cg3 s TRP 349 CO 0.00 0.11 0.00 0.41 -0.51 0.00 0.00 176.95 176.96 2cg3 n GLY 350 N 1.82 0.58 0.19 0.98 0.00 -0.97 -4.71 105.19 103.09 2cg3 n GLY 350 Ca -0.17 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 2cg3 n GLY 350 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2cg3 h ASN 351 N 0.00 0.56 -0.52 1.61 -0.73 -1.84 -1.27 115.58 113.38 2cg3 h ASN 351 Ca 0.00 -0.21 0.02 0.00 1.87 0.00 0.00 56.30 57.98 2cg3 h ASN 351 Cb 0.00 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.41 2cg3 h ASN 351 CO 0.00 0.62 0.31 0.00 -0.37 0.00 0.00 177.43 177.99 2cg3 h ALA 352 N 0.96 0.67 0.19 1.57 0.00 -1.92 0.92 119.26 121.65 2cg3 h ALA 352 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2cg3 h ALA 352 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2cg3 h ALA 352 CO -0.00 0.03 -0.09 1.49 0.00 0.00 0.00 179.25 180.67 2cg3 h GLU 353 N 0.63 -0.25 -0.01 0.00 4.57 -1.80 -1.04 114.58 116.67 2cg3 h GLU 353 Ca 0.21 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2cg3 h GLU 353 Cb 0.01 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2cg3 h GLU 353 CO -0.09 -0.06 -0.10 0.82 -1.18 0.00 0.00 179.01 178.40 2cg3 h ILE 354 N -0.40 0.75 -0.88 2.32 2.04 -0.78 -1.85 117.51 118.72 2cg3 h ILE 354 Ca -0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.03 2cg3 h ILE 354 Cb 0.30 0.75 -0.11 0.00 -0.74 0.00 0.00 36.82 37.02 2cg3 h ILE 354 CO 0.04 0.00 0.41 0.58 0.00 0.00 0.00 178.15 179.19 2cg3 h VAL 355 N -0.16 0.57 -0.02 1.67 2.07 0.11 -1.96 116.25 118.53 2cg3 h VAL 355 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2cg3 h VAL 355 Cb 0.22 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2cg3 h VAL 355 CO -0.11 0.09 -0.05 -0.08 0.02 0.00 0.00 177.57 177.44 2cg3 h GLU 356 N 0.48 0.06 -0.18 1.57 4.81 -0.39 -1.58 114.58 119.36 2cg3 h GLU 356 Ca 0.53 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 2cg3 h GLU 356 Cb 0.92 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 2cg3 h GLU 356 CO -0.47 0.66 -0.44 0.28 -0.73 0.00 0.00 179.01 178.32 2cg3 h VAL 357 N -0.52 0.12 -0.53 0.32 2.07 -1.35 0.51 116.25 116.86 2cg3 h VAL 357 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2cg3 h VAL 357 Cb 0.67 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 2cg3 h VAL 357 CO 0.01 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.40 2cg3 h LEU 358 N -0.48 -0.49 -0.80 2.57 3.38 -1.29 0.51 115.31 118.72 2cg3 h LEU 358 Ca 0.08 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2cg3 h LEU 358 Cb 0.63 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2cg3 h LEU 358 CO -0.43 -0.17 0.45 -0.33 0.09 0.00 0.00 178.44 178.04 2cg3 h GLU 359 N 0.00 0.73 0.05 1.13 5.08 -0.55 -0.02 114.58 121.01 2cg3 h GLU 359 Ca 0.26 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.34 2cg3 h GLU 359 Cb 0.39 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2cg3 h GLU 359 CO -0.54 0.49 -1.05 0.87 -1.00 0.00 0.00 179.01 177.77 2cg3 h LYS 360 N 0.76 0.25 -0.39 2.33 1.57 0.21 -1.37 116.57 119.92 2cg3 h LYS 360 Ca 0.39 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2cg3 h LYS 360 Cb 0.36 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2cg3 h LYS 360 CO -0.25 1.09 -0.31 1.96 -0.57 0.00 0.00 179.45 181.37 2cg3 h GLN 361 N 0.11 0.90 -0.58 3.15 1.08 0.23 0.47 115.11 120.46 2cg3 h GLN 361 Ca -0.08 -0.45 0.09 0.00 -1.45 0.00 0.00 58.65 56.76 2cg3 h GLN 361 Cb 1.73 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.09 2cg3 h GLN 361 CO 0.17 1.10 0.19 -0.09 -0.95 0.00 0.00 178.83 179.24 2cg3 h ARG 362 N 0.71 0.34 0.00 1.46 2.43 -0.92 -2.32 114.38 116.09 2cg3 h ARG 362 Ca 0.07 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 2cg3 h ARG 362 Cb 0.90 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2cg3 h ARG 362 CO 0.08 0.23 -0.87 -0.44 -1.51 0.00 0.00 179.97 177.46 2cg3 h ASP 363 N 0.35 0.00 0.38 -3.80 3.32 -0.68 -1.19 116.42 114.80 2cg3 h ASP 363 Ca 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2cg3 h ASP 363 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2cg3 h ASP 363 CO -0.32 0.72 -0.18 0.25 -1.72 0.00 0.00 179.24 177.99 2cg3 h LEU 364 N 0.00 -0.43 -1.01 1.55 5.85 0.20 0.42 115.31 121.89 2cg3 h LEU 364 Ca -0.05 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2cg3 h LEU 364 Cb 1.58 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 2cg3 h LEU 364 CO 0.09 -0.11 0.40 1.88 -0.34 0.00 0.00 178.44 180.35 2cg3 h TYR 365 N -0.77 1.09 -0.74 1.25 -1.99 -1.44 -0.65 116.97 113.72 2cg3 h TYR 365 Ca -0.05 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 2cg3 h TYR 365 Cb 0.52 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.87 2cg3 h TYR 365 CO 0.01 0.77 0.32 0.78 -0.00 0.00 0.00 178.16 180.04 2cg3 h GLY 366 N 1.13 1.16 1.26 3.88 0.00 -1.14 -1.58 103.07 107.78 2cg3 h GLY 366 Ca 0.27 -0.59 -0.30 0.00 0.00 0.00 0.00 47.33 46.71 2cg3 h GLY 366 CO -0.04 0.56 -1.25 -1.82 0.00 0.00 0.00 176.54 173.99 2cg3 h TYR 367 N 1.06 0.99 -0.60 5.60 3.20 0.23 0.46 116.97 127.92 2cg3 h TYR 367 Ca 0.25 -0.62 0.12 0.00 3.14 0.00 0.00 58.73 61.62 2cg3 h TYR 367 Cb 0.16 -0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.24 2cg3 h TYR 367 CO 0.02 1.47 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.83 2cg3 h LEU 368 N 0.27 -0.48 0.28 2.82 3.38 -1.11 -0.06 115.31 120.41 2cg3 h LEU 368 Ca -0.19 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2cg3 h LEU 368 Cb 1.92 0.34 0.00 0.00 0.09 0.00 0.00 40.66 43.02 2cg3 h LEU 368 CO 0.24 -0.18 -0.14 -0.74 0.09 0.00 0.00 178.44 177.72 2cg3 h HIS 369 N 0.03 -0.35 -0.11 1.13 2.76 -1.04 -2.59 115.15 114.98 2cg3 h HIS 369 Ca 0.30 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2cg3 h HIS 369 Cb 0.46 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2cg3 h HIS 369 CO -0.45 -0.00 -0.47 -0.44 -1.30 0.00 0.00 177.93 175.26 2cg3 h ASP 370 N -0.77 0.31 0.97 3.26 5.19 -0.88 -2.89 116.42 121.60 2cg3 h ASP 370 Ca -0.04 -0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.14 2cg3 h ASP 370 Cb 0.50 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 2cg3 h ASP 370 CO 0.06 0.74 -1.08 1.56 -3.12 0.00 0.00 179.24 177.40 2cg3 h GLN 371 N 0.23 0.00 0.12 3.56 1.08 -1.11 -0.92 115.11 118.07 2cg3 h GLN 371 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2cg3 h GLN 371 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2cg3 h GLN 371 CO 0.08 0.17 -0.06 1.15 -0.95 0.00 0.00 178.83 179.22 2cg3 h THR 372 N 0.00 0.88 -0.08 -0.54 2.02 -1.40 -2.07 112.91 111.72 2cg3 h THR 372 Ca -0.07 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2cg3 h THR 372 Cb 1.30 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2cg3 h THR 372 CO 0.03 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 175.45 2cg3 h LEU 373 N -0.17 0.17 -0.78 2.58 4.07 -1.54 0.25 115.31 119.88 2cg3 h LEU 373 Ca -0.02 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 57.89 2cg3 h LEU 373 Cb 0.13 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 2cg3 h LEU 373 CO 0.03 0.56 0.51 -0.74 -1.08 0.00 0.00 178.44 177.72 2cg3 h HIS 374 N 0.14 0.96 -0.07 1.13 2.76 -1.08 0.28 115.15 119.27 2cg3 h HIS 374 Ca 0.01 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2cg3 h HIS 374 Cb 0.78 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2cg3 h HIS 374 CO 0.01 0.59 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.79 2cg3 h LEU 375 N 1.03 0.45 -0.57 0.26 3.38 -0.61 -2.98 115.31 116.26 2cg3 h LEU 375 Ca 0.30 -0.65 0.08 0.00 0.09 0.00 0.00 57.88 57.70 2cg3 h LEU 375 Cb -0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2cg3 h LEU 375 CO -0.08 1.02 0.22 0.00 0.09 0.00 0.00 178.44 179.69 2cg3 h ALA 376 N 0.43 0.73 0.00 1.53 0.00 -0.40 0.11 119.26 121.66 2cg3 h ALA 376 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cg3 h ALA 376 Cb 1.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2cg3 h ALA 376 CO 0.07 -0.18 0.00 -0.91 0.00 0.00 0.00 179.25 178.24 2cg3 h ASN 377 N 0.41 0.00 -0.63 0.00 2.35 -0.44 0.59 115.58 117.87 2cg3 h ASN 377 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2cg3 h ASN 377 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2cg3 h ASN 377 CO -0.27 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.51 2cg3 n GLN 378 N -2.60 3.91 0.00 0.81 6.02 0.29 -4.94 117.38 120.87 2cg3 n GLN 378 Ca -0.02 -2.86 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 2cg3 n GLN 378 Cb 0.07 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.37 2cg3 n GLN 378 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cg3 n GLY 379 N 1.04 1.41 3.74 1.08 0.00 0.20 -5.04 105.19 107.61 2cg3 n GLY 379 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2cg3 n GLY 379 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cg3 s VAL 380 N -2.36 2.16 0.53 1.61 1.01 -0.69 -4.96 120.40 117.70 2cg3 s VAL 380 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2cg3 s VAL 380 Cb 0.00 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.35 2cg3 s VAL 380 CO 0.00 0.02 0.59 0.42 0.00 0.00 0.00 175.10 176.12 2cg3 s THR 381 N 0.40 2.15 0.42 3.92 -4.23 -1.26 -4.11 115.64 112.93 2cg3 s THR 381 Ca 0.66 -1.21 0.22 0.00 -1.18 0.00 0.00 61.69 60.19 2cg3 s THR 381 Cb -0.47 -2.35 0.24 0.00 1.34 0.00 0.00 72.50 71.26 2cg3 s THR 381 CO 0.42 0.00 2.03 -0.29 -0.54 0.00 0.00 174.62 176.24 2cg3 h ILE 382 N 0.53 0.79 0.00 2.99 2.10 -1.91 0.55 117.51 122.56 2cg3 h ILE 382 Ca -0.35 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 64.99 2cg3 h ILE 382 Cb 1.29 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.38 2cg3 h ILE 382 CO 0.49 0.15 0.00 0.61 -1.08 0.00 0.00 178.15 178.32 2cg3 n GLY 383 N -0.78 -1.19 0.00 8.18 0.00 -1.26 -4.27 105.19 105.86 2cg3 n GLY 383 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2cg3 n GLY 383 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cg3 n GLN 384 N -1.22 2.05 -0.22 1.61 6.02 0.95 -4.87 117.38 121.70 2cg3 n GLN 384 Ca 0.16 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.32 2cg3 n GLN 384 Cb 0.20 -0.78 0.48 0.00 1.02 0.00 0.00 30.24 31.17 2cg3 n GLN 384 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2cg3 h VAL 385 N 0.00 0.74 0.00 5.09 3.04 -0.30 -1.02 116.25 123.80 2cg3 h VAL 385 Ca 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.47 2cg3 h VAL 385 Cb 0.55 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 2cg3 h VAL 385 CO 0.00 0.08 -0.28 1.12 -1.01 0.00 0.00 177.57 177.48 2cg3 h HIS 386 N 0.46 0.00 -0.01 3.17 2.07 -1.85 -1.18 115.15 117.82 2cg3 h HIS 386 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 2cg3 h HIS 386 Cb 0.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.96 2cg3 h HIS 386 CO -0.00 0.28 -0.08 0.09 -3.07 0.00 0.00 177.93 175.15 2cg3 n ASN 387 N -3.70 0.76 -0.04 3.10 3.02 -0.40 -4.23 115.26 113.76 2cg3 n ASN 387 Ca -0.01 -0.96 -0.05 0.00 -0.03 0.00 0.00 54.58 53.53 2cg3 n ASN 387 Cb 0.39 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 2cg3 n ASN 387 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cg3 n ARG 388 N -0.59 2.00 -2.79 3.52 5.12 -0.61 -5.03 116.66 118.28 2cg3 n ARG 388 Ca 0.17 0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.69 2cg3 n ARG 388 Cb 0.28 -1.20 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 2cg3 n ARG 388 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2cg3 s LEU 389 N -4.87 4.30 -0.04 0.55 2.96 -0.55 -5.05 118.68 115.99 2cg3 s LEU 389 Ca -0.07 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 2cg3 s LEU 389 Cb 0.03 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.29 2cg3 s LEU 389 CO 0.29 -0.30 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.77 2cg3 s ARG 390 N 1.37 1.39 0.59 1.98 1.81 -1.26 -4.97 118.95 119.86 2cg3 s ARG 390 Ca 0.47 -0.42 -0.19 0.00 -1.72 0.00 0.00 55.73 53.86 2cg3 s ARG 390 Cb -0.19 -1.22 -0.03 0.00 -0.45 0.00 0.00 34.95 33.05 2cg3 s ARG 390 CO 0.22 0.13 1.24 -0.51 -0.68 0.00 0.00 175.30 175.70 2cg3 s LEU 391 N 0.26 3.69 0.70 2.53 1.43 -1.26 -5.02 118.68 121.01 2cg3 s LEU 391 Ca -0.06 2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 2cg3 s LEU 391 Cb -0.11 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2cg3 s LEU 391 CO 0.02 -1.63 1.06 -2.16 0.23 0.00 0.00 176.35 173.87 2cg3 s PRO 392 N -3.25 2.91 0.45 1.29 0.04 -1.26 -4.68 135.00 130.49 2cg3 s PRO 392 Ca 0.77 0.90 0.20 0.00 0.04 0.00 0.00 61.00 62.91 2cg3 s PRO 392 Cb -0.33 -1.99 1.17 0.00 0.04 0.00 0.00 34.50 33.39 2cg3 s PRO 392 CO 0.36 -1.11 1.88 -1.35 0.04 0.00 0.00 177.00 176.82 2cg3 h PRO 393 N -0.72 0.30 0.00 0.56 0.11 -1.98 -0.82 132.00 129.45 2cg3 h PRO 393 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2cg3 h PRO 393 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2cg3 h PRO 393 CO 0.58 0.20 -0.23 0.66 -0.21 0.00 0.00 178.00 178.99 2cg3 h SER 394 N 0.31 0.00 0.20 -2.05 4.64 -1.97 -1.46 113.55 113.21 2cg3 h SER 394 Ca 0.44 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.42 2cg3 h SER 394 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 2cg3 h SER 394 CO -0.13 0.23 -2.10 0.18 -0.87 0.00 0.00 176.83 174.14 2cg3 n LEU 395 N -3.47 1.01 0.06 5.97 4.77 -0.80 -4.46 117.00 120.08 2cg3 n LEU 395 Ca -0.00 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2cg3 n LEU 395 Cb 0.40 0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.70 2cg3 n LEU 395 CO 0.33 0.56 0.65 -0.78 -1.33 0.00 0.00 177.39 176.82 2cg3 h ASP 396 N 0.01 0.35 -0.69 -1.43 3.58 -0.76 -3.27 116.42 114.21 2cg3 h ASP 396 Ca -0.44 -0.14 -0.33 0.00 0.42 0.00 0.00 57.03 56.54 2cg3 h ASP 396 Cb 2.09 -0.10 -0.20 0.00 1.72 0.00 0.00 39.33 42.85 2cg3 h ASP 396 CO 0.04 0.70 0.42 0.00 -2.88 0.00 0.00 179.24 177.53 2cg3 n GLN 397 N -4.04 2.11 -5.20 0.28 1.13 -0.59 -4.84 117.38 106.23 2cg3 n GLN 397 Ca -0.01 -2.18 -0.32 0.00 -1.94 0.00 0.00 57.00 52.55 2cg3 n GLN 397 Cb 0.47 -1.87 -0.17 0.00 0.11 0.00 0.00 30.24 28.78 2cg3 n GLN 397 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2cg3 s GLU 398 N -2.36 2.87 0.47 -1.09 0.41 -1.23 -4.84 118.70 112.93 2cg3 s GLU 398 Ca 0.41 -0.86 0.16 0.00 -0.41 0.00 0.00 54.97 54.27 2cg3 s GLU 398 Cb 0.34 -2.22 1.15 0.00 -1.78 0.00 0.00 34.13 31.62 2cg3 s GLU 398 CO 0.08 0.22 2.03 -1.49 -0.49 0.00 0.00 175.26 175.61 2cg3 h TRP 399 N 6.57 0.24 -0.00 1.61 4.06 -1.92 -1.24 115.95 125.26 2cg3 h TRP 399 Ca -0.22 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.73 2cg3 h TRP 399 Cb 1.22 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2cg3 h TRP 399 CO 0.46 0.12 -0.00 2.48 -3.56 0.00 0.00 178.44 177.94 2cg3 n TYR 400 N -4.46 0.00 1.01 0.49 4.11 -1.26 -2.16 117.16 114.89 2cg3 n TYR 400 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.07 2cg3 n TYR 400 Cb 0.33 -0.02 0.01 0.00 -0.00 0.00 0.00 39.34 39.66 2cg3 n TYR 400 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2cg3 n ASP 401 N -0.96 0.92 -4.76 9.48 8.00 -0.47 -1.74 116.55 127.02 2cg3 n ASP 401 Ca 0.23 -0.81 -0.38 0.00 0.71 0.00 0.00 54.79 54.54 2cg3 n ASP 401 Cb 0.13 0.72 0.01 0.00 -0.02 0.00 0.00 41.12 41.96 2cg3 n ASP 401 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2cg3 s ARG 402 N -2.95 3.67 -0.96 -1.24 1.81 -0.92 -4.01 118.95 114.35 2cg3 s ARG 402 Ca 0.10 2.07 -0.20 0.00 -1.72 0.00 0.00 55.73 55.98 2cg3 s ARG 402 Cb 0.17 -2.51 -0.10 0.00 -0.45 0.00 0.00 34.95 32.05 2cg3 s ARG 402 CO 0.79 -0.71 1.99 0.41 -0.68 0.00 0.00 175.30 177.10 2cg3 n GLY 403 N 0.61 2.90 0.07 -3.53 0.00 -1.26 -1.57 105.19 102.41 2cg3 n GLY 403 Ca 0.07 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2cg3 n GLY 403 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2cg3 h TYR 404 N 7.57 0.02 0.00 1.61 0.99 -1.82 -3.29 116.97 122.05 2cg3 h TYR 404 Ca 0.44 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.16 2cg3 h TYR 404 Cb 0.68 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.41 2cg3 h TYR 404 CO 1.29 1.02 0.00 1.58 -0.00 0.00 0.00 178.16 182.05 2cg3 n HIS 405 N -3.24 0.00 -2.10 4.88 -0.00 -1.24 -0.91 115.22 112.61 2cg3 n HIS 405 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.36 2cg3 n HIS 405 Cb 0.99 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 31.01 2cg3 n HIS 405 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2cg3 s GLY 406 N -2.95 1.62 0.09 1.57 0.00 -0.26 -4.64 107.32 102.74 2cg3 s GLY 406 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.33 2cg3 s GLY 406 CO 0.00 -0.14 -0.17 -1.35 0.00 0.00 0.00 173.10 171.44 2cg3 s SER 407 N -4.32 2.10 0.20 1.64 1.04 -1.26 -4.19 113.70 108.92 2cg3 s SER 407 Ca 0.56 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 2cg3 s SER 407 Cb -0.11 -0.09 0.26 0.00 0.10 0.00 0.00 66.02 66.18 2cg3 s SER 407 CO 0.49 -0.02 1.76 0.58 0.98 0.00 0.00 173.24 177.03 2cg3 h VAL 408 N 4.12 0.82 0.12 5.02 2.07 -1.94 -0.57 116.25 125.89 2cg3 h VAL 408 Ca -0.43 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2cg3 h VAL 408 Cb 1.19 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2cg3 h VAL 408 CO 0.41 0.08 -0.24 -1.28 0.02 0.00 0.00 177.57 176.56 2cg3 h SER 409 N 0.45 -0.67 1.49 0.57 0.87 -1.93 -0.96 113.55 113.37 2cg3 h SER 409 Ca 0.30 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2cg3 h SER 409 Cb 0.33 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2cg3 h SER 409 CO -0.27 -0.33 -0.43 1.12 -0.53 0.00 0.00 176.83 176.39 2cg3 h HIS 410 N -0.44 0.00 -0.12 2.24 2.07 -1.92 -2.97 115.15 114.01 2cg3 h HIS 410 Ca 0.03 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.35 2cg3 h HIS 410 Cb 0.46 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.45 2cg3 h HIS 410 CO -0.22 0.00 -0.70 -0.91 -3.07 0.00 0.00 177.93 173.03 2cg3 h ASN 411 N 0.00 0.82 -0.37 3.10 2.35 -1.06 -1.24 115.58 119.18 2cg3 h ASN 411 Ca 0.00 -0.65 0.01 0.00 -0.55 0.00 0.00 56.30 55.11 2cg3 h ASN 411 Cb 0.96 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2cg3 h ASN 411 CO 0.00 1.34 0.23 0.00 -1.65 0.00 0.00 177.43 177.34 2cg3 h ALA 412 N 0.50 0.47 -0.73 -0.83 0.00 -1.22 0.16 119.26 117.60 2cg3 h ALA 412 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2cg3 h ALA 412 Cb 1.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2cg3 h ALA 412 CO 0.14 -0.11 0.48 0.00 0.00 0.00 0.00 179.25 179.77 2cg3 h ARG 413 N 0.46 0.83 -0.33 0.00 3.08 -1.51 -1.79 114.38 115.12 2cg3 h ARG 413 Ca 0.14 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2cg3 h ARG 413 Cb -0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 2cg3 h ARG 413 CO -0.05 0.55 -0.44 0.00 -1.07 0.00 0.00 179.97 178.96 2cg3 h ALA 414 N 1.58 0.50 -0.17 0.04 0.00 0.03 0.84 119.26 122.08 2cg3 h ALA 414 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2cg3 h ALA 414 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cg3 h ALA 414 CO -0.09 0.64 0.08 0.28 0.00 0.00 0.00 179.25 180.16 2cg3 h VAL 415 N 0.67 1.00 -0.98 0.00 2.07 -0.43 0.62 116.25 119.21 2cg3 h VAL 415 Ca 0.04 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2cg3 h VAL 415 Cb 1.04 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2cg3 h VAL 415 CO 0.10 0.03 0.62 0.25 0.02 0.00 0.00 177.57 178.60 2cg3 h LEU 416 N 0.18 1.15 -1.02 2.57 6.46 -0.87 -1.51 115.31 122.26 2cg3 h LEU 416 Ca 0.07 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 2cg3 h LEU 416 Cb 0.01 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 2cg3 h LEU 416 CO -0.05 0.86 -0.38 -1.13 -0.62 0.00 0.00 178.44 177.12 2cg3 h ASN 417 N 1.34 0.22 -0.70 1.25 -1.24 -0.22 0.32 115.58 116.55 2cg3 h ASN 417 Ca 0.35 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.20 2cg3 h ASN 417 Cb -0.11 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 2cg3 h ASN 417 CO -0.07 0.58 0.14 -0.09 -1.29 0.00 0.00 177.43 176.70 2cg3 h ARG 418 N 0.18 1.13 0.13 6.67 2.43 0.05 0.16 114.38 125.15 2cg3 h ARG 418 Ca 0.02 -0.29 -0.34 0.00 -0.81 0.00 0.00 59.98 58.56 2cg3 h ARG 418 Cb 0.75 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2cg3 h ARG 418 CO 0.06 1.02 -1.78 1.88 -1.51 0.00 0.00 179.97 179.63 2cg3 h TYR 419 N 1.07 0.50 -0.00 2.20 0.05 -0.37 -3.41 116.97 117.01 2cg3 h TYR 419 Ca 0.21 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.63 2cg3 h TYR 419 Cb 0.41 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2cg3 h TYR 419 CO 0.03 1.58 -0.21 1.28 -1.05 0.00 0.00 178.16 179.79 2cg3 n LEU 420 N -3.47 0.31 0.00 3.88 4.77 0.10 -5.11 117.00 117.48 2cg3 n LEU 420 Ca -0.24 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2cg3 n LEU 420 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 2cg3 n LEU 420 CO 0.48 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2cg3 n GLY 421 N 1.06 -2.18 0.15 -0.72 0.00 0.57 -4.57 105.19 99.51 2cg3 n GLY 421 Ca 0.01 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2cg3 n GLY 421 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2cg3 h TYR 422 N 0.00 0.00 -3.47 1.61 -0.00 -1.93 -3.40 116.97 109.79 2cg3 h TYR 422 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 58.20 2cg3 h TYR 422 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.70 2cg3 h TYR 422 CO 0.00 0.00 0.30 -0.47 -0.00 0.00 0.00 178.16 177.99 2cg3 s TYR 423 N -3.25 3.72 -2.17 0.10 5.04 -1.26 -4.95 117.35 114.58 2cg3 s TYR 423 Ca 0.04 1.66 0.25 0.00 -2.44 0.00 0.00 57.07 56.58 2cg3 s TYR 423 Cb 0.08 -3.02 1.26 0.00 0.35 0.00 0.00 41.96 40.63 2cg3 s TYR 423 CO 0.71 0.13 1.84 -0.40 -1.34 0.00 0.00 175.55 176.49 2cg3 n ASP 424 N 3.30 0.69 0.00 4.32 5.75 -1.26 -4.91 116.55 124.44 2cg3 n ASP 424 Ca 0.03 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2cg3 n ASP 424 Cb 0.50 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2cg3 n ASP 424 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cg3 n GLY 425 N 1.01 2.27 3.56 6.12 0.00 -1.26 -4.89 105.19 112.00 2cg3 n GLY 425 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2cg3 n GLY 425 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cg3 s ASN 426 N -3.55 6.47 0.00 1.61 3.84 -1.26 -4.93 114.94 117.12 2cg3 s ASN 426 Ca 0.00 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.13 2cg3 s ASN 426 Cb 0.00 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 2cg3 s ASN 426 CO 0.00 -0.89 0.86 -2.65 -2.79 0.00 0.00 177.10 171.63 2cg3 n PRO 427 N 6.72 0.00 0.24 0.43 -0.02 -1.26 0.25 135.00 141.36 2cg3 n PRO 427 Ca 0.03 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 62.04 2cg3 n PRO 427 Cb 0.48 -1.51 0.85 0.00 -0.02 0.00 0.00 33.50 33.31 2cg3 n PRO 427 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cg3 h ALA 428 N 1.97 1.00 -0.02 3.55 0.00 -2.02 -2.20 119.26 121.55 2cg3 h ALA 428 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cg3 h ALA 428 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cg3 h ALA 428 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2cg3 n THR 429 N -2.61 1.02 -0.12 0.00 -2.24 0.14 -4.71 114.28 105.76 2cg3 n THR 429 Ca -0.02 -1.03 -0.12 0.00 -2.27 0.00 0.00 64.05 60.62 2cg3 n THR 429 Cb 0.06 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2cg3 n THR 429 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2cg3 h LEU 430 N 0.10 0.74 -6.05 3.22 5.85 -1.44 -3.37 115.31 114.36 2cg3 h LEU 430 Ca 0.00 -0.40 -0.59 0.00 0.84 0.00 0.00 57.88 57.73 2cg3 h LEU 430 Cb 0.52 -0.20 -0.42 0.00 0.37 0.00 0.00 40.66 40.93 2cg3 h LEU 430 CO 0.00 0.98 -0.68 -0.67 -0.34 0.00 0.00 178.44 177.73 2cg3 n ASP 431 N -4.33 3.35 -4.80 1.25 2.03 -1.26 -5.08 116.55 107.70 2cg3 n ASP 431 Ca -0.02 -3.37 -0.38 0.00 0.52 0.00 0.00 54.79 51.54 2cg3 n ASP 431 Cb 0.39 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.08 2cg3 n ASP 431 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2cg3 s PRO 432 N -2.45 4.35 0.49 -0.67 0.04 -1.26 -5.00 135.00 130.50 2cg3 s PRO 432 Ca 0.41 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 2cg3 s PRO 432 Cb 0.17 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.58 2cg3 s PRO 432 CO -0.04 0.49 1.37 1.28 0.04 0.00 0.00 177.00 180.14 2cg3 n LEU 433 N 1.16 5.08 -4.72 -3.56 4.77 -1.26 -4.97 117.00 113.51 2cg3 n LEU 433 Ca -0.05 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.61 2cg3 n LEU 433 Cb 0.50 -1.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.06 2cg3 n LEU 433 CO 0.44 -0.42 0.91 -1.20 -1.33 0.00 0.00 177.39 175.79 2cg3 n SER 434 N -0.44 2.37 -0.20 -1.43 7.64 -1.26 -4.75 113.62 115.55 2cg3 n SER 434 Ca 0.07 0.96 0.13 0.00 1.01 0.00 0.00 58.87 61.04 2cg3 n SER 434 Cb 0.42 -1.54 0.43 0.00 -1.01 0.00 0.00 64.21 62.52 2cg3 n SER 434 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cg3 h PRO 435 N 1.31 0.55 0.00 1.43 0.13 -1.99 0.18 132.00 133.62 2cg3 h PRO 435 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2cg3 h PRO 435 Cb 1.31 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cg3 h PRO 435 CO 0.56 0.37 0.00 1.05 -0.23 0.00 0.00 178.00 179.75 2cg3 h GLU 436 N 0.57 0.00 0.00 0.86 9.09 -1.89 -0.73 114.58 122.48 2cg3 h GLU 436 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 2cg3 h GLU 436 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 2cg3 h GLU 436 CO -0.15 0.00 -0.96 -0.25 0.05 0.00 0.00 179.01 177.70 2cg3 n ASP 437 N -2.45 0.66 0.02 3.06 8.00 0.56 -3.98 116.55 122.43 2cg3 n ASP 437 Ca 0.04 0.04 0.11 0.00 0.71 0.00 0.00 54.79 55.69 2cg3 n ASP 437 Cb 0.37 0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 41.98 2cg3 n ASP 437 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2cg3 n SER 438 N -2.21 0.47 -0.24 -2.24 3.41 -0.72 -4.61 113.62 107.49 2cg3 n SER 438 Ca 0.01 -0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.36 2cg3 n SER 438 Cb 0.47 1.26 0.08 0.00 -0.26 0.00 0.00 64.21 65.76 2cg3 n SER 438 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cg3 h ALA 439 N 2.37 0.90 -0.42 7.33 0.00 -1.27 -2.21 119.26 125.97 2cg3 h ALA 439 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2cg3 h ALA 439 Cb 0.82 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2cg3 h ALA 439 CO 0.00 0.20 -0.08 0.78 0.00 0.00 0.00 179.25 180.15 2cg3 h GLY 440 N 0.84 0.33 1.17 0.00 0.00 -1.81 -1.30 103.07 102.30 2cg3 h GLY 440 Ca 0.28 0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.61 2cg3 h GLY 440 CO -0.11 -0.15 -0.13 3.21 0.00 0.00 0.00 176.54 179.37 2cg3 h ARG 441 N 0.02 0.96 -0.73 4.80 3.08 -1.71 0.55 114.38 121.35 2cg3 h ARG 441 Ca 0.20 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.92 2cg3 h ARG 441 Cb 0.31 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2cg3 h ARG 441 CO -0.41 1.03 0.47 1.88 -1.07 0.00 0.00 179.97 181.87 2cg3 h TYR 442 N 0.85 0.89 -0.23 3.04 -1.99 -1.02 0.14 116.97 118.66 2cg3 h TYR 442 Ca 0.13 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 2cg3 h TYR 442 Cb 0.68 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 2cg3 h TYR 442 CO 0.04 0.53 -0.15 0.28 -0.00 0.00 0.00 178.16 178.87 2cg3 h VAL 443 N 0.94 1.31 -0.17 -2.88 2.07 -0.51 -2.98 116.25 114.03 2cg3 h VAL 443 Ca 0.28 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.58 2cg3 h VAL 443 Cb -0.04 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2cg3 h VAL 443 CO -0.09 0.39 -0.42 -0.33 0.02 0.00 0.00 177.57 177.14 2cg3 h GLU 444 N 0.22 -0.39 -2.24 1.57 5.08 0.56 -1.67 114.58 117.71 2cg3 h GLU 444 Ca 0.05 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2cg3 h GLU 444 Cb 0.67 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2cg3 h GLU 444 CO 0.04 -0.26 0.12 0.66 -1.00 0.00 0.00 179.01 178.57 2cg3 n TYR 445 N -4.77 0.00 -0.27 4.33 0.53 0.45 -3.53 117.16 113.90 2cg3 n TYR 445 Ca -0.04 -0.02 0.00 0.00 -1.02 0.00 0.00 57.90 56.82 2cg3 n TYR 445 Cb 0.28 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.30 2cg3 n TYR 445 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2cg3 n GLY 447 N 2.23 0.24 0.00 2.72 0.00 -1.14 -5.08 105.19 104.16 2cg3 n GLY 447 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cg3 n GLY 447 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cg3 n GLY 448 N -0.18 1.32 0.25 -0.02 0.00 -0.64 -4.31 105.19 101.60 2cg3 n GLY 448 Ca 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 2cg3 n GLY 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cg3 h ALA 449 N 0.00 0.36 -0.25 4.61 0.00 -1.96 -0.42 119.26 121.59 2cg3 h ALA 449 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2cg3 h ALA 449 Cb 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2cg3 h ALA 449 CO 0.00 -0.45 -0.51 0.93 0.00 0.00 0.00 179.25 179.22 2cg3 h GLU 450 N -0.02 0.70 -0.10 0.00 4.39 -1.98 0.97 114.58 118.55 2cg3 h GLU 450 Ca 0.29 -0.42 -0.21 0.00 0.34 0.00 0.00 59.36 59.35 2cg3 h GLU 450 Cb 0.46 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2cg3 h GLU 450 CO -0.63 1.04 -0.80 -0.09 -1.16 0.00 0.00 179.01 177.37 2cg3 h ARG 451 N 0.55 0.60 0.06 2.33 9.65 -1.66 -1.82 114.38 124.09 2cg3 h ARG 451 Ca 0.02 -0.52 -0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2cg3 h ARG 451 Cb 1.07 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2cg3 h ARG 451 CO 0.10 1.14 -0.03 1.25 2.80 0.00 0.00 179.97 185.23 2cg3 h LEU 452 N 0.40 -0.07 -1.74 3.80 6.46 -0.92 -1.33 115.31 121.90 2cg3 h LEU 452 Ca -0.05 -0.07 0.14 0.00 -0.12 0.00 0.00 57.88 57.78 2cg3 h LEU 452 Cb 1.41 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.32 2cg3 h LEU 452 CO 0.15 0.02 0.45 -0.07 -0.62 0.00 0.00 178.44 178.36 2cg3 h LEU 453 N -0.16 0.24 0.01 2.25 3.38 -0.73 -1.47 115.31 118.83 2cg3 h LEU 453 Ca -0.01 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2cg3 h LEU 453 Cb 0.13 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2cg3 h LEU 453 CO 0.01 0.13 -1.13 -0.08 0.09 0.00 0.00 178.44 177.46 2cg3 h GLU 454 N 0.26 0.37 -0.19 1.13 4.81 -0.71 0.38 114.58 120.62 2cg3 h GLU 454 Ca 0.31 -0.51 -0.18 0.00 -0.13 0.00 0.00 59.36 58.85 2cg3 h GLU 454 Cb 0.87 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2cg3 h GLU 454 CO -0.07 1.20 -0.61 1.96 -0.73 0.00 0.00 179.01 180.76 2cg3 h GLN 455 N 0.16 0.65 -0.68 1.92 4.20 -0.81 -2.84 115.11 117.72 2cg3 h GLN 455 Ca -0.12 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 2cg3 h GLN 455 Cb 1.82 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.63 2cg3 h GLN 455 CO 0.19 1.06 0.22 0.00 -0.67 0.00 0.00 178.83 179.63 2cg3 h ALA 456 N 0.83 0.89 -0.47 3.87 0.00 -1.12 -0.95 119.26 122.30 2cg3 h ALA 456 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2cg3 h ALA 456 Cb 1.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2cg3 h ALA 456 CO 0.12 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.16 2cg3 h ARG 457 N 0.99 0.45 -0.86 0.00 3.08 -0.87 0.46 114.38 117.62 2cg3 h ARG 457 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2cg3 h ARG 457 Cb 0.29 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2cg3 h ARG 457 CO -0.01 0.30 0.51 0.00 -1.07 0.00 0.00 179.97 179.70 2cg3 h ALA 458 N 1.26 1.27 -0.23 0.04 0.00 -1.19 0.54 119.26 120.95 2cg3 h ALA 458 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cg3 h ALA 458 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2cg3 h ALA 458 CO -0.15 0.61 0.08 0.77 0.00 0.00 0.00 179.25 180.57 2cg3 h SER 459 N 1.19 0.32 -0.69 0.00 0.02 0.11 -2.36 113.55 112.15 2cg3 h SER 459 Ca 0.31 -0.18 0.14 0.00 -0.84 0.00 0.00 61.79 61.22 2cg3 h SER 459 Cb -0.03 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.32 2cg3 h SER 459 CO -0.06 0.41 0.17 0.22 -1.14 0.00 0.00 176.83 176.44 2cg3 h TYR 460 N 0.21 0.27 0.00 3.45 3.20 0.45 -1.19 116.97 123.36 2cg3 h TYR 460 Ca 0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2cg3 h TYR 460 Cb 0.20 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2cg3 h TYR 460 CO -0.00 -0.05 0.00 0.00 -1.64 0.00 0.00 178.16 176.47 2cg3 n ALA 461 N -2.62 1.67 0.70 1.82 0.00 0.13 0.88 120.51 123.08 2cg3 n ALA 461 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.73 2cg3 n ALA 461 Cb 0.40 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.76 2cg3 n ALA 461 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cg3 n ARG 462 N -2.13 2.18 -0.62 0.00 1.74 -0.47 -4.98 116.66 112.39 2cg3 n ARG 462 Ca 0.02 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 2cg3 n ARG 462 Cb 0.22 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2cg3 n ARG 462 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cg3 n GLY 463 N 1.34 0.68 2.58 -0.13 0.00 0.25 -4.95 105.19 104.98 2cg3 n GLY 463 Ca 0.18 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2cg3 n GLY 463 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cg3 n GLU 464 N -2.62 5.06 0.04 1.61 1.02 -1.11 -4.73 120.64 119.91 2cg3 n GLU 464 Ca 0.00 -4.16 -0.03 0.00 -0.02 0.00 0.00 57.16 52.95 2cg3 n GLU 464 Cb 0.00 -2.53 0.23 0.00 -0.02 0.00 0.00 31.44 29.12 2cg3 n GLU 464 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2cg3 h TYR 465 N 4.33 0.46 0.00 -0.32 0.05 -1.90 -1.11 116.97 118.48 2cg3 h TYR 465 Ca 0.60 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 59.21 2cg3 h TYR 465 Cb 0.31 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2cg3 h TYR 465 CO 1.44 0.64 -0.37 0.00 -1.05 0.00 0.00 178.16 178.83 2cg3 h ARG 466 N 0.36 0.00 0.03 4.88 3.08 -1.94 -0.61 114.38 120.19 2cg3 h ARG 466 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2cg3 h ARG 466 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2cg3 h ARG 466 CO 0.05 0.37 -0.02 2.35 -1.07 0.00 0.00 179.97 181.65 2cg3 h TRP 467 N 0.00 -0.04 -0.53 3.04 2.91 -1.87 -3.31 115.95 116.15 2cg3 h TRP 467 Ca -0.00 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.07 2cg3 h TRP 467 Cb 0.88 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.49 2cg3 h TRP 467 CO 0.00 0.57 0.26 0.28 -1.03 0.00 0.00 178.44 178.53 2cg3 h VAL 468 N -0.70 0.94 0.00 2.65 2.07 -0.97 0.30 116.25 120.54 2cg3 h VAL 468 Ca -0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2cg3 h VAL 468 Cb 0.63 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2cg3 h VAL 468 CO 0.01 0.09 -0.04 -0.37 0.02 0.00 0.00 177.57 177.28 2cg3 h VAL 469 N 0.51 0.16 0.01 2.57 -1.51 -1.27 -0.51 116.25 116.20 2cg3 h VAL 469 Ca 0.24 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2cg3 h VAL 469 Cb 0.16 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2cg3 h VAL 469 CO -0.17 0.04 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.05 2cg3 h GLU 470 N 0.00 0.04 0.02 5.19 4.81 -1.15 -3.18 114.58 120.32 2cg3 h GLU 470 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2cg3 h GLU 470 Cb 0.36 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.77 2cg3 h GLU 470 CO 0.01 0.91 -0.61 -0.24 -0.73 0.00 0.00 179.01 178.35 2cg3 h VAL 471 N -0.80 1.45 0.00 0.32 3.04 -0.53 -3.22 116.25 116.51 2cg3 h VAL 471 Ca -0.01 -2.13 -0.03 0.00 -1.01 0.00 0.00 66.70 63.52 2cg3 h VAL 471 Cb 0.95 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 32.91 2cg3 h VAL 471 CO 0.02 0.61 -0.13 0.58 -1.01 0.00 0.00 177.57 177.64 2cg3 h VAL 472 N -0.16 0.43 -0.49 1.51 2.07 -1.29 -1.60 116.25 116.71 2cg3 h VAL 472 Ca -0.08 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 2cg3 h VAL 472 Cb 1.34 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2cg3 h VAL 472 CO 0.12 0.13 0.09 -1.13 0.02 0.00 0.00 177.57 176.80 2cg3 h ASN 473 N 0.00 0.71 -0.95 0.57 -1.24 -1.59 0.17 115.58 113.25 2cg3 h ASN 473 Ca -0.00 -0.13 0.12 0.00 0.71 0.00 0.00 56.30 57.00 2cg3 h ASN 473 Cb 0.50 -0.19 -0.08 0.00 0.73 0.00 0.00 38.32 39.28 2cg3 h ASN 473 CO 0.02 0.72 0.58 0.03 -1.29 0.00 0.00 177.43 177.49 2cg3 h ARG 474 N 0.73 0.88 -0.17 6.67 2.47 -1.30 -0.99 114.38 122.67 2cg3 h ARG 474 Ca 0.16 -0.05 -0.19 0.00 -1.26 0.00 0.00 59.98 58.64 2cg3 h ARG 474 Cb 0.31 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2cg3 h ARG 474 CO 0.00 0.58 -0.63 1.25 0.56 0.00 0.00 179.97 181.74 2cg3 h LEU 475 N 0.91 0.85 -1.80 3.04 5.85 -1.25 -2.26 115.31 120.66 2cg3 h LEU 475 Ca 0.48 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2cg3 h LEU 475 Cb 0.50 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2cg3 h LEU 475 CO -0.28 1.31 -0.05 0.58 -0.34 0.00 0.00 178.44 179.66 2cg3 h VAL 476 N 0.44 1.07 0.00 1.05 2.07 -0.36 0.43 116.25 120.95 2cg3 h VAL 476 Ca -0.03 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2cg3 h VAL 476 Cb 1.25 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2cg3 h VAL 476 CO 0.13 0.09 -0.45 -0.26 0.02 0.00 0.00 177.57 177.10 2cg3 h PHE 477 N 0.06 0.00 0.21 1.57 0.04 -0.98 -2.11 116.94 115.73 2cg3 h PHE 477 Ca 0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.46 2cg3 h PHE 477 Cb 0.13 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.32 2cg3 h PHE 477 CO 0.00 0.31 -1.41 0.00 -0.60 0.00 0.00 178.31 176.61 2cg3 h ALA 478 N 1.69 -0.11 -2.00 2.45 0.00 -0.69 -3.42 119.26 117.18 2cg3 h ALA 478 Ca -0.02 -0.83 -0.55 0.00 0.00 0.00 0.00 54.91 53.51 2cg3 h ALA 478 Cb 1.25 0.16 -0.38 0.00 0.00 0.00 0.00 17.79 18.82 2cg3 h ALA 478 CO 0.04 0.69 -1.06 0.39 0.00 0.00 0.00 179.25 179.31 2cg3 n GLU 479 N -3.74 0.60 0.27 0.00 1.02 0.14 -4.86 120.64 114.07 2cg3 n GLU 479 Ca -0.16 -3.15 0.18 0.00 -0.02 0.00 0.00 57.16 54.02 2cg3 n GLU 479 Cb 1.07 -1.32 0.87 0.00 -0.02 0.00 0.00 31.44 32.04 2cg3 n GLU 479 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2cg3 h PRO 480 N 4.34 0.00 0.00 3.49 0.13 -1.59 0.17 132.00 138.54 2cg3 h PRO 480 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2cg3 h PRO 480 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2cg3 h PRO 480 CO 0.43 0.00 -0.08 0.38 -0.23 0.00 0.00 178.00 178.50 2cg3 h ASP 481 N 0.00 0.00 -1.11 1.44 -0.00 -1.93 -3.45 116.42 111.37 2cg3 h ASP 481 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.68 2cg3 h ASP 481 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.53 2cg3 h ASP 481 CO 0.00 0.08 0.91 0.21 -0.00 0.00 0.00 179.24 180.45 2cg3 s ASN 482 N -6.20 5.11 0.32 4.15 3.84 0.58 -4.86 114.94 117.89 2cg3 s ASN 482 Ca 0.06 -0.30 0.10 0.00 0.21 0.00 0.00 52.86 52.93 2cg3 s ASN 482 Cb 0.06 -2.55 0.88 0.00 -0.55 0.00 0.00 41.25 39.09 2cg3 s ASN 482 CO 0.67 -2.68 1.74 -0.09 -2.79 0.00 0.00 177.10 173.94 2cg3 h ARG 483 N 12.66 0.58 -0.07 0.43 2.43 -1.87 -2.18 114.38 126.35 2cg3 h ARG 483 Ca -0.02 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 2cg3 h ARG 483 Cb 1.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2cg3 h ARG 483 CO 1.20 0.38 -0.60 0.00 -1.51 0.00 0.00 179.97 179.44 2cg3 h ALA 484 N 1.72 0.84 0.36 2.80 0.00 -1.97 -1.73 119.26 121.27 2cg3 h ALA 484 Ca 0.64 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2cg3 h ALA 484 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2cg3 h ALA 484 CO -0.46 0.73 -0.17 0.00 0.00 0.00 0.00 179.25 179.35 2cg3 h ALA 485 N 1.18 -0.48 -0.63 0.00 0.00 -1.79 -1.88 119.26 115.66 2cg3 h ALA 485 Ca -0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2cg3 h ALA 485 Cb 1.11 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 2cg3 h ALA 485 CO 0.09 -0.65 0.13 0.00 0.00 0.00 0.00 179.25 178.82 2cg3 h ARG 486 N -0.71 0.25 -0.42 0.00 3.08 -1.35 -0.04 114.38 115.19 2cg3 h ARG 486 Ca -0.05 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2cg3 h ARG 486 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2cg3 h ARG 486 CO 0.08 0.16 -0.24 0.93 -1.07 0.00 0.00 179.97 179.83 2cg3 h GLU 487 N 0.26 0.87 -0.39 0.04 4.39 -1.29 -0.22 114.58 118.23 2cg3 h GLU 487 Ca 0.34 -0.37 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 2cg3 h GLU 487 Cb 0.52 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2cg3 h GLU 487 CO -0.43 1.01 -0.37 1.25 -1.16 0.00 0.00 179.01 179.31 2cg3 h LEU 488 N 0.75 1.00 -0.31 1.33 5.85 -0.78 -0.98 115.31 122.18 2cg3 h LEU 488 Ca 0.10 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2cg3 h LEU 488 Cb 0.79 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2cg3 h LEU 488 CO 0.07 1.25 0.16 -0.61 -0.34 0.00 0.00 178.44 178.97 2cg3 h GLN 489 N 0.77 0.43 -0.71 1.25 5.75 -0.80 -1.32 115.11 120.49 2cg3 h GLN 489 Ca 0.07 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2cg3 h GLN 489 Cb 0.96 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 2cg3 h GLN 489 CO 0.09 0.38 0.36 0.00 -2.65 0.00 0.00 178.83 177.01 2cg3 h ALA 490 N 1.03 1.30 -0.63 3.38 0.00 -0.80 -1.18 119.26 122.35 2cg3 h ALA 490 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2cg3 h ALA 490 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2cg3 h ALA 490 CO -0.02 0.55 0.11 -0.44 0.00 0.00 0.00 179.25 179.46 2cg3 h ASP 491 N 1.00 0.98 -0.16 0.00 3.32 -0.40 -0.46 116.42 120.71 2cg3 h ASP 491 Ca 0.25 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2cg3 h ASP 491 Cb 0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2cg3 h ASP 491 CO -0.04 0.97 -0.32 0.00 -1.72 0.00 0.00 179.24 178.14 2cg3 h ALA 492 N 1.14 0.25 -0.85 3.45 0.00 -0.55 -1.79 119.26 120.91 2cg3 h ALA 492 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2cg3 h ALA 492 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2cg3 h ALA 492 CO 0.01 0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.90 2cg3 h LEU 493 N 0.12 1.09 -0.55 0.00 3.38 -1.08 -1.58 115.31 116.69 2cg3 h LEU 493 Ca 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2cg3 h LEU 493 Cb 0.91 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2cg3 h LEU 493 CO 0.07 0.91 0.34 -0.08 0.09 0.00 0.00 178.44 179.77 2cg3 h GLU 494 N 1.20 0.74 -0.43 1.13 4.81 -0.87 -1.06 114.58 120.11 2cg3 h GLU 494 Ca 0.29 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2cg3 h GLU 494 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2cg3 h GLU 494 CO -0.04 0.53 0.27 1.96 -0.73 0.00 0.00 179.01 181.00 2cg3 h GLN 495 N 0.74 0.57 -0.99 1.92 1.08 -0.55 0.52 115.11 118.40 2cg3 h GLN 495 Ca 0.20 -0.04 0.23 0.00 -1.45 0.00 0.00 58.65 57.58 2cg3 h GLN 495 Cb -0.03 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.19 2cg3 h GLN 495 CO -0.04 0.40 0.63 -0.07 -0.95 0.00 0.00 178.83 178.81 2cg3 h LEU 496 N 0.57 0.51 0.01 1.46 3.38 -1.02 0.74 115.31 120.96 2cg3 h LEU 496 Ca 0.15 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 2cg3 h LEU 496 Cb -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2cg3 h LEU 496 CO -0.03 0.15 -0.63 1.23 0.09 0.00 0.00 178.44 179.25 2cg3 h GLY 497 N 0.48 0.46 0.56 0.83 0.00 0.09 -1.88 103.07 103.61 2cg3 h GLY 497 Ca 0.55 -0.83 0.14 0.00 0.00 0.00 0.00 47.33 47.20 2cg3 h GLY 497 CO -0.28 0.73 0.56 -0.97 0.00 0.00 0.00 176.54 176.58 2cg3 h TYR 498 N -0.11 0.74 0.00 5.60 0.05 -0.50 -2.37 116.97 120.38 2cg3 h TYR 498 Ca -0.08 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2cg3 h TYR 498 Cb 1.35 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2cg3 h TYR 498 CO 0.15 0.27 0.00 1.04 -1.05 0.00 0.00 178.16 178.57 2cg3 n GLN 499 N -4.54 0.26 -2.20 4.88 6.02 0.21 -2.50 117.38 119.51 2cg3 n GLN 499 Ca 0.17 0.26 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 2cg3 n GLN 499 Cb 0.48 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 2cg3 n GLN 499 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cg3 s ALA 500 N -3.15 3.58 0.36 -1.58 0.00 -0.74 -4.72 121.76 115.51 2cg3 s ALA 500 Ca 0.09 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.09 2cg3 s ALA 500 Cb 0.12 -3.58 0.69 0.00 0.00 0.00 0.00 23.12 20.35 2cg3 s ALA 500 CO 0.56 -0.82 1.89 1.49 0.00 0.00 0.00 175.76 178.88 2cg3 h GLU 501 N 7.54 0.36 -5.90 0.00 4.81 -1.89 -3.39 114.58 116.11 2cg3 h GLU 501 Ca -0.39 -0.08 -0.58 0.00 -0.13 0.00 0.00 59.36 58.18 2cg3 h GLU 501 Cb 1.19 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 2cg3 h GLU 501 CO 0.89 0.46 0.19 1.21 -0.73 0.00 0.00 179.01 181.04 2cg3 s ASN 502 N -6.82 6.89 0.21 1.04 3.84 -1.24 -4.47 114.94 114.39 2cg3 s ASN 502 Ca -0.06 1.09 -0.06 0.00 0.21 0.00 0.00 52.86 54.03 2cg3 s ASN 502 Cb 0.15 -2.41 0.17 0.00 -0.55 0.00 0.00 41.25 38.62 2cg3 s ASN 502 CO 0.75 -0.25 1.66 0.00 -2.79 0.00 0.00 177.10 176.47 2cg3 h ALA 503 N 7.14 0.91 -0.13 1.71 0.00 -1.28 0.18 119.26 127.79 2cg3 h ALA 503 Ca -0.35 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2cg3 h ALA 503 Cb 1.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2cg3 h ALA 503 CO 0.79 0.63 -0.43 0.78 0.00 0.00 0.00 179.25 181.02 2cg3 h GLY 504 N 0.97 0.32 0.63 0.00 0.00 -1.77 0.10 103.07 103.33 2cg3 h GLY 504 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2cg3 h GLY 504 CO 0.04 0.29 -0.08 1.49 0.00 0.00 0.00 176.54 178.28 2cg3 h TRP 505 N 0.24 0.22 0.43 5.60 4.06 -1.69 -1.26 115.95 123.56 2cg3 h TRP 505 Ca 0.02 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2cg3 h TRP 505 Cb 0.87 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.96 2cg3 h TRP 505 CO 0.02 0.63 -0.40 -0.09 -3.56 0.00 0.00 178.44 175.04 2cg3 h ARG 506 N -0.25 -0.81 -0.78 0.49 2.43 -0.40 -1.04 114.38 114.01 2cg3 h ARG 506 Ca 0.01 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.43 2cg3 h ARG 506 Cb 0.60 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 2cg3 h ARG 506 CO 0.02 -0.54 0.54 -0.91 -1.51 0.00 0.00 179.97 177.57 2cg3 h ASN 507 N -0.84 0.19 0.08 -3.80 2.35 -1.03 -1.32 115.58 111.21 2cg3 h ASN 507 Ca -0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2cg3 h ASN 507 Cb 0.74 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2cg3 h ASN 507 CO -0.05 0.09 -0.04 0.28 -1.65 0.00 0.00 177.43 176.06 2cg3 h SER 508 N 0.20 -0.09 -0.68 5.81 0.02 -0.04 -1.02 113.55 117.75 2cg3 h SER 508 Ca 0.39 -0.48 0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2cg3 h SER 508 Cb 1.22 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.66 2cg3 h SER 508 CO -0.08 0.47 -0.10 1.88 -1.14 0.00 0.00 176.83 177.87 2cg3 h TYR 509 N -0.69 -0.23 0.05 3.45 0.05 -0.82 0.13 116.97 118.91 2cg3 h TYR 509 Ca -0.01 0.06 -0.26 0.00 0.05 0.00 0.00 58.73 58.57 2cg3 h TYR 509 Cb 0.56 0.21 0.01 0.00 1.01 0.00 0.00 36.73 38.52 2cg3 h TYR 509 CO 0.11 -0.26 -1.08 -0.07 -1.05 0.00 0.00 178.16 175.81 2cg3 h LEU 510 N 0.04 0.66 -0.92 3.88 3.38 -1.28 -1.32 115.31 119.75 2cg3 h LEU 510 Ca 0.34 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2cg3 h LEU 510 Cb 0.55 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2cg3 h LEU 510 CO -0.65 1.39 0.59 0.28 0.09 0.00 0.00 178.44 180.13 2cg3 h SER 511 N 0.24 1.08 -0.40 -0.43 0.02 -1.01 0.55 113.55 113.60 2cg3 h SER 511 Ca -0.12 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 2cg3 h SER 511 Cb 1.75 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2cg3 h SER 511 CO 0.20 0.80 -0.01 0.00 -1.14 0.00 0.00 176.83 176.68 2cg3 h ALA 512 N 1.32 0.54 -0.88 3.77 0.00 -0.59 0.16 119.26 123.59 2cg3 h ALA 512 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2cg3 h ALA 512 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2cg3 h ALA 512 CO -0.07 0.33 0.56 0.00 0.00 0.00 0.00 179.25 180.08 2cg3 h ALA 513 N 0.88 1.33 -0.48 0.00 0.00 -1.09 0.95 119.26 120.85 2cg3 h ALA 513 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2cg3 h ALA 513 Cb 0.49 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2cg3 h ALA 513 CO 0.02 0.60 0.02 -0.92 0.00 0.00 0.00 179.25 178.97 2cg3 h TYR 514 N 1.21 0.91 -0.11 0.00 3.20 0.01 -1.26 116.97 120.92 2cg3 h TYR 514 Ca 0.32 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 2cg3 h TYR 514 Cb -0.10 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2cg3 h TYR 514 CO 0.00 0.86 -0.47 0.93 -1.64 0.00 0.00 178.16 177.83 2cg3 h GLU 515 N 0.70 0.28 -0.12 1.82 5.08 -0.03 -1.11 114.58 121.21 2cg3 h GLU 515 Ca 0.14 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 2cg3 h GLU 515 Cb 0.48 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2cg3 h GLU 515 CO 0.02 0.70 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.93 2cg3 h LEU 516 N 0.23 0.84 -0.78 1.33 3.38 -0.61 0.43 115.31 120.12 2cg3 h LEU 516 Ca 0.01 -0.65 -0.12 0.00 0.09 0.00 0.00 57.88 57.22 2cg3 h LEU 516 Cb 0.92 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2cg3 h LEU 516 CO 0.08 1.36 -0.33 0.03 0.09 0.00 0.00 178.44 179.67 2cg3 h ARG 517 N 0.38 0.55 0.00 1.13 3.08 -1.18 -3.40 114.38 114.94 2cg3 h ARG 517 Ca -0.06 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 2cg3 h ARG 517 Cb 1.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2cg3 h ARG 517 CO 0.15 0.81 -1.25 0.72 -1.07 0.00 0.00 179.97 179.33 2cg3 n HIS 518 N -4.07 0.00 0.00 3.04 8.25 -0.43 -5.02 115.22 116.99 2cg3 n HIS 518 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2cg3 n HIS 518 Cb 0.47 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2cg3 n HIS 518 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cg3 n GLY 519 N 2.53 0.98 3.88 -1.41 0.00 0.14 -4.99 105.19 106.32 2cg3 n GLY 519 Ca -0.04 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 2cg3 n GLY 519 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cg3 s VAL 520 N -1.77 5.16 -0.40 1.61 -7.23 -1.26 -4.61 120.40 111.90 2cg3 s VAL 520 Ca 0.00 0.21 -0.36 0.00 -1.81 0.00 0.00 61.98 60.02 2cg3 s VAL 520 Cb 0.00 -3.62 -0.16 0.00 0.56 0.00 0.00 36.38 33.16 2cg3 s VAL 520 CO 0.00 0.18 1.62 -2.65 -0.31 0.00 0.00 175.10 173.95 2cg3 n PRO 521 N 0.56 0.00 0.20 4.82 -0.02 -1.26 -4.87 135.00 134.43 2cg3 n PRO 521 Ca -0.06 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2cg3 n PRO 521 Cb 0.52 -1.21 0.32 0.00 -0.02 0.00 0.00 33.50 33.11 2cg3 n PRO 521 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cg3 h ARG 522 N 6.50 0.00 0.00 -0.52 3.08 -1.98 -3.41 114.38 118.05 2cg3 h ARG 522 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2cg3 h ARG 522 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2cg3 h ARG 522 CO 0.86 0.25 -0.03 0.38 -1.07 0.00 0.00 179.97 180.36 2cg3 h ASP 523 N 0.00 0.00 0.00 7.04 2.03 -2.04 -3.54 116.42 119.91 2cg3 h ASP 523 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2cg3 h ASP 523 Cb 0.94 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 2cg3 h ASP 523 CO 0.03 0.11 0.00 0.00 -1.03 0.00 0.00 179.24 178.35 2cg3 n GLN 524 N -2.59 0.00 -4.86 4.15 10.64 -1.26 -5.16 117.38 118.30 2cg3 n GLN 524 Ca -0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 2cg3 n GLN 524 Cb 0.02 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.26 2cg3 n GLN 524 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2cg3 s GLY 530 N 0.00 1.52 0.16 2.61 0.00 -1.26 -5.08 107.32 105.26 2cg3 s GLY 530 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 44.72 43.45 2cg3 s GLY 530 CO 0.00 -0.45 1.61 -1.26 0.00 0.00 0.00 173.10 173.00 2cg3 n SER 531 N 3.00 3.24 -0.10 1.64 2.88 -1.26 -4.90 113.62 118.12 2cg3 n SER 531 Ca -0.18 1.07 0.01 0.00 -1.33 0.00 0.00 58.87 58.44 2cg3 n SER 531 Cb 0.52 -1.45 0.29 0.00 -0.75 0.00 0.00 64.21 62.83 2cg3 n SER 531 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cg3 h ALA 532 N 6.21 1.46 -0.49 -1.46 0.00 -2.00 -2.38 119.26 120.61 2cg3 h ALA 532 Ca -0.45 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2cg3 h ALA 532 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2cg3 h ALA 532 CO 0.90 0.43 -0.14 -0.44 0.00 0.00 0.00 179.25 180.00 2cg3 h ASP 533 N 0.75 0.94 0.08 0.00 3.32 -1.91 -1.29 116.42 118.32 2cg3 h ASP 533 Ca 0.19 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 2cg3 h ASP 533 Cb 0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2cg3 h ASP 533 CO -0.03 1.08 -0.63 0.00 -1.72 0.00 0.00 179.24 177.94 2cg3 h ALA 534 N 1.00 0.62 -0.45 3.45 0.00 -1.79 -1.41 119.26 120.69 2cg3 h ALA 534 Ca 0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2cg3 h ALA 534 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2cg3 h ALA 534 CO 0.05 0.71 -0.15 1.25 0.00 0.00 0.00 179.25 181.11 2cg3 h LEU 535 N 0.39 0.85 -1.60 0.00 5.85 -1.32 -2.62 115.31 116.87 2cg3 h LEU 535 Ca -0.01 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 2cg3 h LEU 535 Cb 1.19 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2cg3 h LEU 535 CO 0.12 1.00 -0.20 0.00 -0.34 0.00 0.00 178.44 179.01 2cg3 h ALA 536 N 1.07 1.66 -0.23 1.25 0.00 -0.82 -3.45 119.26 118.74 2cg3 h ALA 536 Ca 0.12 -0.18 -0.70 0.00 0.00 0.00 0.00 54.91 54.14 2cg3 h ALA 536 Cb 0.67 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2cg3 h ALA 536 CO 0.05 0.25 2.89 0.00 0.00 0.00 0.00 179.25 182.44 2cg3 n ALA 537 N -2.50 5.06 -2.41 0.00 0.00 -0.57 -5.06 120.51 115.04 2cg3 n ALA 537 Ca -0.02 -3.88 -0.28 0.00 0.00 0.00 0.00 53.44 49.26 2cg3 n ALA 537 Cb 0.26 -3.54 -0.15 0.00 0.00 0.00 0.00 19.45 16.02 2cg3 n ALA 537 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cg3 s ASP 539 N 3.40 2.73 0.28 0.00 2.15 -1.26 -4.90 116.67 119.07 2cg3 s ASP 539 Ca 0.49 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.94 2cg3 s ASP 539 Cb 0.11 -0.26 0.39 0.00 -0.30 0.00 0.00 42.92 42.87 2cg3 s ASP 539 CO -0.05 0.23 1.88 0.74 -0.17 0.00 0.00 175.17 177.80 2cg3 h THR 540 N 4.39 1.22 0.07 1.71 2.02 -1.97 -1.05 112.91 119.31 2cg3 h THR 540 Ca -0.43 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 2cg3 h THR 540 Cb 1.15 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2cg3 h THR 540 CO 0.45 0.27 -0.05 1.23 0.37 0.00 0.00 175.52 177.79 2cg3 h GLY 541 N 1.03 -0.12 1.23 2.16 0.00 -1.99 -1.19 103.07 104.19 2cg3 h GLY 541 Ca 0.23 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2cg3 h GLY 541 CO -0.03 -0.06 0.39 -2.00 0.00 0.00 0.00 176.54 174.85 2cg3 h LEU 542 N -0.13 0.53 -0.14 3.11 5.85 -1.86 0.44 115.31 123.11 2cg3 h LEU 542 Ca -0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2cg3 h LEU 542 Cb 0.11 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2cg3 h LEU 542 CO -0.00 0.35 -0.04 0.25 -0.34 0.00 0.00 178.44 178.66 2cg3 h LEU 543 N 0.61 0.27 -1.13 2.25 5.85 -0.78 0.37 115.31 122.74 2cg3 h LEU 543 Ca 0.25 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2cg3 h LEU 543 Cb 0.22 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2cg3 h LEU 543 CO -0.07 0.58 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.23 2cg3 h PHE 544 N -0.04 0.49 -0.47 1.25 0.04 0.01 0.02 116.94 118.25 2cg3 h PHE 544 Ca 0.04 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.74 2cg3 h PHE 544 Cb 0.46 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2cg3 h PHE 544 CO 0.05 0.57 0.30 -0.44 -0.60 0.00 0.00 178.31 178.20 2cg3 h ASP 545 N 0.43 0.51 -0.21 2.17 3.32 0.05 -0.22 116.42 122.47 2cg3 h ASP 545 Ca 0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2cg3 h ASP 545 Cb 0.48 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2cg3 h ASP 545 CO 0.03 0.37 -0.00 0.22 -1.72 0.00 0.00 179.24 178.14 2cg3 h TYR 546 N 0.62 0.41 -0.98 4.55 3.20 0.27 -1.52 116.97 123.51 2cg3 h TYR 546 Ca 0.18 -0.07 0.16 0.00 3.14 0.00 0.00 58.73 62.13 2cg3 h TYR 546 Cb -0.04 -0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.03 2cg3 h TYR 546 CO -0.05 0.56 0.61 -0.07 -1.64 0.00 0.00 178.16 177.58 2cg3 h LEU 547 N 0.14 0.80 -1.12 2.82 3.38 -0.94 0.88 115.31 121.27 2cg3 h LEU 547 Ca 0.06 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2cg3 h LEU 547 Cb 0.40 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 2cg3 h LEU 547 CO 0.01 0.37 0.61 1.23 0.09 0.00 0.00 178.44 180.74 2cg3 h GLY 548 N 0.82 1.46 1.82 0.83 0.00 -0.03 -0.83 103.07 107.14 2cg3 h GLY 548 Ca 0.52 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 2cg3 h GLY 548 CO -0.29 0.15 -0.57 -2.08 0.00 0.00 0.00 176.54 173.75 2cg3 h VAL 549 N 0.89 1.38 0.00 4.60 2.07 -0.35 -2.94 116.25 121.89 2cg3 h VAL 549 Ca 0.47 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2cg3 h VAL 549 Cb 0.55 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2cg3 h VAL 549 CO -0.23 0.56 0.00 0.03 0.02 0.00 0.00 177.57 177.95 2cg3 h ARG 550 N 0.14 0.00 -6.88 1.57 3.08 0.50 -3.47 114.38 109.33 2cg3 h ARG 550 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2cg3 h ARG 550 Cb 1.04 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.19 2cg3 h ARG 550 CO 0.08 0.00 0.83 -0.11 -1.07 0.00 0.00 179.97 179.70 2cg3 n LEU 551 N -2.69 4.62 -4.39 3.04 7.94 -0.99 -0.95 117.00 123.58 2cg3 n LEU 551 Ca 0.01 1.19 -0.44 0.00 -1.11 0.00 0.00 56.01 55.66 2cg3 n LEU 551 Cb 0.27 -1.61 -0.07 0.00 0.53 0.00 0.00 43.42 42.54 2cg3 n LEU 551 CO 0.24 0.17 0.11 -0.62 -1.11 0.00 0.00 177.39 176.18 2cg3 s ASP 552 N 0.15 6.17 0.32 1.96 3.68 -1.26 -4.78 116.67 122.90 2cg3 s ASP 552 Ca 0.58 -1.30 0.01 0.00 2.13 0.00 0.00 52.55 53.97 2cg3 s ASP 552 Cb -0.48 -2.21 0.53 0.00 -1.45 0.00 0.00 42.92 39.31 2cg3 s ASP 552 CO 0.57 -0.73 1.94 0.00 0.13 0.00 0.00 175.17 177.08 2cg3 h ALA 553 N 8.83 1.41 0.15 3.66 0.00 -1.92 -1.37 119.26 130.02 2cg3 h ALA 553 Ca -0.28 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2cg3 h ALA 553 Cb 1.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2cg3 h ALA 553 CO 0.92 0.48 -0.43 0.78 0.00 0.00 0.00 179.25 181.00 2cg3 h GLY 554 N 0.93 -0.89 1.92 0.00 0.00 -1.98 -1.13 103.07 101.91 2cg3 h GLY 554 Ca 0.22 0.51 0.01 0.00 0.00 0.00 0.00 47.33 48.07 2cg3 h GLY 554 CO -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 176.54 176.26 2cg3 h ALA 555 N -0.25 1.57 0.00 3.60 0.00 -1.75 -3.06 119.26 119.38 2cg3 h ALA 555 Ca 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2cg3 h ALA 555 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2cg3 h ALA 555 CO -0.23 -0.05 -1.55 0.00 0.00 0.00 0.00 179.25 177.43 2cg3 n ALA 556 N -2.32 2.02 -1.62 0.00 0.00 -0.60 -4.92 120.51 113.07 2cg3 n ALA 556 Ca -0.02 -0.60 -0.63 0.00 0.00 0.00 0.00 53.44 52.18 2cg3 n ALA 556 Cb 0.12 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 2cg3 n ALA 556 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cg3 n GLU 557 N -2.79 0.00 -0.73 0.00 2.13 -0.47 -1.43 120.64 117.34 2cg3 n GLU 557 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2cg3 n GLU 557 Cb 0.82 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.03 2cg3 n GLU 557 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cg3 n GLY 558 N 2.71 0.80 3.91 8.31 0.00 -1.26 -5.03 105.19 114.64 2cg3 n GLY 558 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2cg3 n GLY 558 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cg3 s LYS 559 N -0.27 3.45 -0.15 1.61 -0.14 -0.52 -5.05 119.74 118.68 2cg3 s LYS 559 Ca 0.00 -0.38 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 2cg3 s LYS 559 Cb 0.00 -3.05 0.07 0.00 -1.68 0.00 0.00 37.83 33.17 2cg3 s LYS 559 CO 0.00 0.62 0.31 0.00 -0.76 0.00 0.00 175.35 175.52 2cg3 s ALA 560 N -1.46 -0.75 0.05 5.17 0.00 -1.26 -4.27 121.76 119.25 2cg3 s ALA 560 Ca 0.33 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 2cg3 s ALA 560 Cb -0.13 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.98 2cg3 s ALA 560 CO 0.25 -0.59 0.40 -0.48 0.00 0.00 0.00 175.76 175.34 2cg3 s LEU 561 N 2.26 0.46 -0.03 0.00 0.05 -0.88 -5.00 118.68 115.54 2cg3 s LEU 561 Ca -0.02 -0.06 -0.11 0.00 0.05 0.00 0.00 54.13 54.00 2cg3 s LEU 561 Cb -0.12 1.70 0.02 0.00 -2.05 0.00 0.00 46.19 45.75 2cg3 s LEU 561 CO -0.10 -0.68 0.25 -0.94 -0.55 0.00 0.00 176.35 174.33 2cg3 s SER 562 N -2.09 -0.15 -0.10 1.48 1.04 -1.26 -0.89 113.70 111.73 2cg3 s SER 562 Ca -0.04 0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 2cg3 s SER 562 Cb -0.01 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.50 2cg3 s SER 562 CO -0.03 -0.34 0.23 -0.63 0.98 0.00 0.00 173.24 173.44 2cg3 s ILE 563 N -0.98 -0.12 -0.07 -1.02 1.01 0.80 -0.24 121.20 120.57 2cg3 s ILE 563 Ca -0.11 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 2cg3 s ILE 563 Cb -0.05 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 2cg3 s ILE 563 CO 0.02 0.08 0.95 0.20 0.00 0.00 0.00 174.94 176.19 2cg3 s ASN 564 N 1.53 7.24 -0.15 3.58 0.01 -0.92 -1.04 114.94 125.18 2cg3 s ASN 564 Ca -0.07 1.51 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 2cg3 s ASN 564 Cb -0.11 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2cg3 s ASN 564 CO -0.08 -0.33 -0.11 -0.22 -1.51 0.00 0.00 177.10 174.84 2cg3 s LEU 565 N 1.50 2.74 -0.14 0.60 2.96 0.18 -0.79 118.68 125.72 2cg3 s LEU 565 Ca 0.48 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2cg3 s LEU 565 Cb -0.19 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2cg3 s LEU 565 CO 0.21 0.12 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.06 2cg3 s ARG 566 N 0.64 2.53 -0.62 1.98 0.52 -0.09 -0.91 118.95 123.00 2cg3 s ARG 566 Ca -0.06 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2cg3 s ARG 566 Cb -0.15 -2.18 0.16 0.00 0.52 0.00 0.00 34.95 33.30 2cg3 s ARG 566 CO 0.03 -0.14 0.46 -0.51 0.02 0.00 0.00 175.30 175.16 2cg3 s LEU 567 N 1.17 5.58 0.16 2.53 1.02 0.10 -1.00 118.68 128.26 2cg3 s LEU 567 Ca -0.01 -2.61 0.02 0.00 0.02 0.00 0.00 54.13 51.55 2cg3 s LEU 567 Cb -0.14 -1.94 -0.00 0.00 0.02 0.00 0.00 46.19 44.13 2cg3 s LEU 567 CO -0.07 -0.47 1.38 1.55 0.02 0.00 0.00 176.35 178.76 2cg3 h PRO 568 N 7.47 0.21 -0.99 1.29 0.14 -1.82 0.16 132.00 138.46 2cg3 h PRO 568 Ca -0.03 -0.23 0.19 0.00 0.14 0.00 0.00 66.00 66.07 2cg3 h PRO 568 Cb 0.99 0.06 -0.10 0.00 0.14 0.00 0.00 31.00 32.10 2cg3 h PRO 568 CO 0.74 0.95 0.61 0.38 0.14 0.00 0.00 178.00 180.83 2cg3 h ASP 569 N 0.12 0.72 -0.08 1.44 2.03 -1.94 -2.32 116.42 116.39 2cg3 h ASP 569 Ca -0.04 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2cg3 h ASP 569 Cb 1.49 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.94 2cg3 h ASP 569 CO 0.13 0.27 0.00 2.30 -1.03 0.00 0.00 179.24 180.91 2cg3 n ILE 570 N -4.70 0.13 -3.01 4.15 -5.35 -1.13 -5.00 119.36 104.45 2cg3 n ILE 570 Ca 0.22 -0.57 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 2cg3 n ILE 570 Cb 0.59 1.20 0.04 0.00 -1.74 0.00 0.00 39.64 39.73 2cg3 n ILE 570 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cg3 n GLY 571 N 0.84 0.08 3.19 3.28 0.00 0.46 -5.01 105.19 108.02 2cg3 n GLY 571 Ca 0.10 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2cg3 n GLY 571 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cg3 s GLU 572 N -5.60 1.46 -0.10 1.61 2.02 -0.65 -5.01 118.70 112.43 2cg3 s GLU 572 Ca 0.29 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.62 2cg3 s GLU 572 Cb -0.13 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.66 2cg3 s GLU 572 CO 0.36 0.39 -0.23 -0.80 0.02 0.00 0.00 175.26 175.00 2cg3 s ASN 573 N -0.55 3.20 0.15 -0.19 0.01 -1.26 -0.72 114.94 115.58 2cg3 s ASN 573 Ca 0.07 -0.53 0.10 0.00 -0.71 0.00 0.00 52.86 51.80 2cg3 s ASN 573 Cb -0.07 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 2cg3 s ASN 573 CO -0.00 0.17 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.21 2cg3 s TYR 574 N 0.29 2.14 -0.22 2.20 2.02 -0.09 0.17 117.35 123.87 2cg3 s TYR 574 Ca -0.17 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 2cg3 s TYR 574 Cb -0.17 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2cg3 s TYR 574 CO 0.08 0.36 0.01 -1.17 -1.57 0.00 0.00 175.55 173.26 2cg3 s LEU 575 N -2.27 3.23 -0.20 -1.29 2.96 -0.49 -0.65 118.68 119.98 2cg3 s LEU 575 Ca 0.15 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2cg3 s LEU 575 Cb -0.09 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2cg3 s LEU 575 CO 0.07 0.01 0.00 -0.76 -1.32 0.00 0.00 176.35 174.35 2cg3 s LEU 576 N 1.31 3.29 -0.13 -0.68 1.43 -0.20 -1.12 118.68 122.57 2cg3 s LEU 576 Ca 0.04 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2cg3 s LEU 576 Cb -0.15 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2cg3 s LEU 576 CO 0.01 0.08 0.00 -1.61 0.23 0.00 0.00 176.35 175.07 2cg3 s GLU 577 N 0.91 0.77 -0.34 1.70 2.02 -0.97 -0.14 118.70 122.64 2cg3 s GLU 577 Ca 0.01 -0.19 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 2cg3 s GLU 577 Cb -0.14 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 2cg3 s GLU 577 CO 0.02 -0.45 0.27 -1.17 0.02 0.00 0.00 175.26 173.95 2cg3 s LEU 578 N 1.88 4.52 0.06 1.80 2.96 -0.07 -0.98 118.68 128.85 2cg3 s LEU 578 Ca 0.02 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 2cg3 s LEU 578 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.38 2cg3 s LEU 578 CO -0.07 -0.27 0.31 -0.75 -1.32 0.00 0.00 176.35 174.26 2cg3 s LYS 579 N 1.80 0.86 -1.57 1.98 2.20 -0.75 -2.08 119.74 122.18 2cg3 s LYS 579 Ca 0.07 -0.58 -0.17 0.00 -0.36 0.00 0.00 55.97 54.94 2cg3 s LYS 579 Cb -0.17 0.37 0.15 0.00 -1.51 0.00 0.00 37.83 36.67 2cg3 s LYS 579 CO 0.11 -0.29 0.66 0.09 -0.36 0.00 0.00 175.35 175.56 2cg3 n ASN 580 N 0.38 -3.01 -1.98 1.43 3.02 -1.26 -0.39 115.26 113.45 2cg3 n ASN 580 Ca -0.18 -0.85 -0.18 0.00 -0.03 0.00 0.00 54.58 53.33 2cg3 n ASN 580 Cb 0.60 -2.50 -0.02 0.00 -0.61 0.00 0.00 39.78 37.25 2cg3 n ASN 580 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2cg3 n SER 581 N -2.48 -5.34 -3.97 6.41 7.64 -1.26 -4.97 113.62 109.64 2cg3 n SER 581 Ca 0.07 0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 2cg3 n SER 581 Cb 0.49 -4.41 -0.16 0.00 -1.01 0.00 0.00 64.21 59.12 2cg3 n SER 581 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2cg3 s HIS 582 N -2.88 1.16 -0.25 1.43 5.04 0.48 -4.91 115.29 115.37 2cg3 s HIS 582 Ca 0.00 -0.39 -0.18 0.00 -1.54 0.00 0.00 55.06 52.95 2cg3 s HIS 582 Cb 0.00 -0.89 -0.03 0.00 0.04 0.00 0.00 32.58 31.70 2cg3 s HIS 582 CO 0.00 -0.23 0.50 -1.17 -2.34 0.00 0.00 174.74 171.50 2cg3 s LEU 583 N 0.72 4.08 0.06 8.88 2.96 -1.26 -1.80 118.68 132.31 2cg3 s LEU 583 Ca -0.13 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 2cg3 s LEU 583 Cb -0.15 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2cg3 s LEU 583 CO 0.02 -0.25 0.27 0.20 -1.32 0.00 0.00 176.35 175.28 2cg3 s ASN 584 N 1.44 6.44 -0.01 3.68 0.01 -0.15 -4.81 114.94 121.54 2cg3 s ASN 584 Ca 0.21 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.82 2cg3 s ASN 584 Cb -0.16 -2.04 -0.00 0.00 0.41 0.00 0.00 41.25 39.47 2cg3 s ASN 584 CO 0.09 0.17 -0.03 0.54 -1.51 0.00 0.00 177.10 176.36 2cg3 s ASN 585 N -2.19 0.44 -0.22 -1.22 2.20 -1.26 -2.30 114.94 110.39 2cg3 s ASN 585 Ca 0.34 -0.06 -0.00 0.00 -0.94 0.00 0.00 52.86 52.19 2cg3 s ASN 585 Cb -0.13 -0.07 0.06 0.00 -2.00 0.00 0.00 41.25 39.11 2cg3 s ASN 585 CO 0.23 0.03 -0.03 -0.22 -2.94 0.00 0.00 177.10 174.17 2cg3 s LEU 586 N 0.01 2.10 0.34 3.54 2.96 -0.28 -4.95 118.68 122.40 2cg3 s LEU 586 Ca 0.00 -1.05 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 2cg3 s LEU 586 Cb -0.03 -0.99 -0.10 0.00 0.50 0.00 0.00 46.19 45.58 2cg3 s LEU 586 CO -0.00 -0.26 1.31 -0.60 -1.32 0.00 0.00 176.35 175.48 2cg3 s ARG 587 N 1.55 4.33 -0.12 1.98 3.52 -1.26 -1.39 118.95 127.55 2cg3 s ARG 587 Ca -0.04 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 2cg3 s ARG 587 Cb -0.18 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2cg3 s ARG 587 CO -0.07 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2cg3 n GLY 588 N 0.78 0.48 3.25 8.12 0.00 0.13 -4.93 105.19 113.01 2cg3 n GLY 588 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2cg3 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cg3 s VAL 589 N -1.90 1.62 0.13 1.61 1.01 -1.24 -5.00 120.40 116.63 2cg3 s VAL 589 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.74 2cg3 s VAL 589 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2cg3 s VAL 589 CO 0.00 0.10 -0.11 -1.10 0.00 0.00 0.00 175.10 173.99 2cg3 s GLN 590 N -1.41 0.98 0.03 2.72 -1.52 -1.26 -2.97 119.66 116.24 2cg3 s GLN 590 Ca 0.06 -1.32 0.05 0.00 -1.95 0.00 0.00 55.36 52.20 2cg3 s GLN 590 Cb -0.09 -0.64 -0.02 0.00 -0.22 0.00 0.00 33.01 32.04 2cg3 s GLN 590 CO 0.02 0.09 -0.15 0.45 -0.25 0.00 0.00 175.29 175.46 2cg3 s SER 591 N -2.82 1.80 0.46 5.90 0.15 -1.26 -5.00 113.70 112.93 2cg3 s SER 591 Ca 0.12 -0.42 0.19 0.00 0.70 0.00 0.00 55.95 56.54 2cg3 s SER 591 Cb -0.00 -0.14 1.11 0.00 -1.71 0.00 0.00 66.02 65.27 2cg3 s SER 591 CO 0.01 0.09 1.98 -0.33 1.20 0.00 0.00 173.24 176.18 2cg3 h GLU 592 N 5.12 0.00 -0.18 5.44 3.07 -2.03 -3.20 114.58 122.80 2cg3 h GLU 592 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2cg3 h GLU 592 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2cg3 h GLU 592 CO 0.45 0.20 0.00 -0.25 -1.40 0.00 0.00 179.01 178.02 2cg3 n ASP 593 N -3.96 1.96 -4.75 1.42 8.00 -1.26 -4.99 116.55 112.97 2cg3 n ASP 593 Ca -0.02 -1.74 -0.36 0.00 0.71 0.00 0.00 54.79 53.38 2cg3 n ASP 593 Cb 0.29 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2cg3 n ASP 593 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cg3 s ALA 594 N -1.78 2.52 -0.58 2.24 0.00 -1.21 -4.93 121.76 118.02 2cg3 s ALA 594 Ca 0.34 1.06 0.25 0.00 0.00 0.00 0.00 51.96 53.60 2cg3 s ALA 594 Cb 0.19 -3.48 0.54 0.00 0.00 0.00 0.00 23.12 20.37 2cg3 s ALA 594 CO 0.28 -1.26 1.64 0.78 0.00 0.00 0.00 175.76 177.20 2cg3 h GLY 595 N 0.83 0.00 -4.69 0.00 0.00 -1.00 -3.47 103.07 94.75 2cg3 h GLY 595 Ca -0.51 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 2cg3 h GLY 595 CO 0.55 0.00 -0.16 1.62 0.00 0.00 0.00 176.54 178.55 2cg3 s GLN 596 N -3.16 0.68 -0.11 4.80 0.74 -1.24 0.13 119.66 121.50 2cg3 s GLN 596 Ca 0.08 0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.71 2cg3 s GLN 596 Cb 0.09 0.32 0.02 0.00 1.10 0.00 0.00 33.01 34.54 2cg3 s GLN 596 CO 0.65 -0.16 -0.14 0.99 -0.55 0.00 0.00 175.29 176.08 2cg3 s THR 597 N -0.70 1.39 -0.10 -0.34 2.01 0.16 -2.17 115.64 115.89 2cg3 s THR 597 Ca -0.08 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2cg3 s THR 597 Cb -0.03 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 2cg3 s THR 597 CO 0.04 0.42 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.46 2cg3 s VAL 598 N 1.13 2.04 -0.04 3.82 1.01 0.03 -0.04 120.40 128.34 2cg3 s VAL 598 Ca -0.04 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.00 2cg3 s VAL 598 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2cg3 s VAL 598 CO -0.03 0.56 -0.25 -0.55 0.00 0.00 0.00 175.10 174.82 2cg3 s SER 599 N 0.30 3.08 -0.29 3.32 0.15 -0.48 -0.91 113.70 118.87 2cg3 s SER 599 Ca -0.18 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 55.82 2cg3 s SER 599 Cb -0.18 -0.60 0.18 0.00 -1.71 0.00 0.00 66.02 63.72 2cg3 s SER 599 CO 0.08 0.28 1.15 -0.51 1.20 0.00 0.00 173.24 175.45 2cg3 s ILE 600 N -0.39 0.00 0.44 6.45 2.07 -0.17 -2.70 121.20 126.90 2cg3 s ILE 600 Ca 0.03 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.03 2cg3 s ILE 600 Cb -0.12 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.38 2cg3 s ILE 600 CO 0.01 0.00 1.16 0.47 -1.91 0.00 0.00 174.94 174.67 2cg3 n ASP 601 N 3.24 1.97 -0.19 4.50 8.00 -1.26 -3.93 116.55 128.88 2cg3 n ASP 601 Ca -0.17 1.05 -0.05 0.00 0.71 0.00 0.00 54.79 56.33 2cg3 n ASP 601 Cb 0.57 -1.44 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 2cg3 n ASP 601 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2cg3 h ARG 602 N 1.73 0.62 -0.90 -1.24 9.65 -1.93 0.17 114.38 122.48 2cg3 h ARG 602 Ca -0.47 -0.04 0.18 0.00 -1.10 0.00 0.00 59.98 58.55 2cg3 h ARG 602 Cb 1.32 -0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 29.65 2cg3 h ARG 602 CO 0.58 0.41 0.46 0.00 2.80 0.00 0.00 179.97 184.22 2cg3 h ALA 603 N 1.26 1.42 0.00 2.80 0.00 -2.00 0.16 119.26 122.89 2cg3 h ALA 603 Ca 0.23 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2cg3 h ALA 603 Cb 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2cg3 h ALA 603 CO -0.11 -0.16 -0.99 -0.44 0.00 0.00 0.00 179.25 177.55 2cg3 h ASP 604 N 0.58 0.00 -0.74 0.00 3.32 -1.58 -2.79 116.42 115.21 2cg3 h ASP 604 Ca 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.54 2cg3 h ASP 604 Cb 0.84 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2cg3 h ASP 604 CO -0.42 0.76 0.34 0.25 -1.72 0.00 0.00 179.24 178.46 2cg3 h LEU 605 N 0.00 0.98 0.27 1.55 5.85 0.50 0.90 115.31 125.36 2cg3 h LEU 605 Ca -0.07 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2cg3 h LEU 605 Cb 1.64 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 2cg3 h LEU 605 CO 0.09 0.85 -0.23 0.78 -0.34 0.00 0.00 178.44 179.59 2cg3 h ASN 606 N 1.05 -0.62 -0.45 1.25 2.35 -0.68 -0.43 115.58 118.05 2cg3 h ASN 606 Ca 0.25 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.14 2cg3 h ASN 606 Cb 0.14 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 2cg3 h ASN 606 CO -0.03 -0.35 -0.03 0.03 -1.65 0.00 0.00 177.43 175.40 2cg3 h ARG 607 N -0.52 0.07 -0.84 0.81 3.08 -1.34 -1.12 114.38 114.52 2cg3 h ARG 607 Ca -0.01 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.19 2cg3 h ARG 607 Cb 0.47 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.40 2cg3 h ARG 607 CO -0.03 0.05 0.40 1.25 -1.07 0.00 0.00 179.97 180.57 2cg3 h LEU 608 N 0.08 0.44 -0.69 3.04 6.46 -0.43 -2.23 115.31 121.97 2cg3 h LEU 608 Ca 0.22 0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.99 2cg3 h LEU 608 Cb 0.34 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2cg3 h LEU 608 CO -0.40 0.16 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.00 2cg3 h LEU 609 N 0.54 0.00 -1.75 2.25 3.38 -0.08 -2.85 115.31 116.80 2cg3 h LEU 609 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2cg3 h LEU 609 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2cg3 h LEU 609 CO -0.40 0.50 0.00 0.18 0.09 0.00 0.00 178.44 178.81 2cg3 n LEU 610 N -3.54 2.56 -1.89 1.67 4.77 -0.52 -4.94 117.00 115.10 2cg3 n LEU 610 Ca -0.00 -1.28 -0.18 0.00 -0.03 0.00 0.00 56.01 54.52 2cg3 n LEU 610 Cb 0.60 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2cg3 n LEU 610 CO 0.39 0.62 -0.20 0.29 -1.33 0.00 0.00 177.39 177.16 2cg3 n LYS 611 N 0.85 -1.58 0.00 3.23 4.76 -0.89 -4.84 118.16 119.69 2cg3 n LYS 611 Ca 0.16 1.00 0.13 0.00 -2.87 0.00 0.00 58.31 56.73 2cg3 n LYS 611 Cb 0.41 -5.47 0.46 0.00 -1.84 0.00 0.00 35.03 28.59 2cg3 n LYS 611 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cg3 n GLU 612 N -2.51 0.02 -3.62 1.97 1.02 -0.89 -4.90 120.64 111.72 2cg3 n GLU 612 Ca -0.20 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 56.85 2cg3 n GLU 612 Cb 0.63 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 2cg3 n GLU 612 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cg3 s VAL 613 N -3.01 0.03 0.30 2.62 0.11 -1.25 -5.00 120.40 114.21 2cg3 s VAL 613 Ca 0.13 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 2cg3 s VAL 613 Cb 0.18 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2cg3 s VAL 613 CO 0.60 -0.15 0.12 -0.94 -3.33 0.00 0.00 175.10 171.41 2cg3 s SER 614 N -2.82 4.86 0.26 3.54 1.04 -1.26 -4.49 113.70 114.84 2cg3 s SER 614 Ca 0.05 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 2cg3 s SER 614 Cb -0.00 -0.92 0.39 0.00 0.10 0.00 0.00 66.02 65.59 2cg3 s SER 614 CO -0.08 -0.16 1.88 0.00 0.98 0.00 0.00 173.24 175.85 2cg3 h ALA 615 N 1.61 1.34 0.13 5.32 0.00 -1.99 -2.10 119.26 123.58 2cg3 h ALA 615 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2cg3 h ALA 615 Cb 1.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2cg3 h ALA 615 CO 0.61 0.41 -0.06 -0.24 0.00 0.00 0.00 179.25 179.97 2cg3 h VAL 616 N 1.13 0.96 -0.97 0.00 3.04 -2.00 0.26 116.25 118.67 2cg3 h VAL 616 Ca 0.42 -0.35 0.07 0.00 -1.01 0.00 0.00 66.70 65.82 2cg3 h VAL 616 Cb 0.17 1.18 -0.07 0.00 -2.01 0.00 0.00 31.29 30.56 2cg3 h VAL 616 CO -0.17 0.09 0.63 -0.09 -1.01 0.00 0.00 177.57 177.01 2cg3 h ARG 617 N -0.34 1.08 -0.08 4.17 2.43 -1.93 -0.59 114.38 119.11 2cg3 h ARG 617 Ca -0.02 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2cg3 h ARG 617 Cb 0.27 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2cg3 h ARG 617 CO 0.03 0.71 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.67 2cg3 h LEU 618 N 1.11 0.21 0.41 3.80 3.38 -0.77 0.13 115.31 123.59 2cg3 h LEU 618 Ca 0.42 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2cg3 h LEU 618 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2cg3 h LEU 618 CO -0.17 0.65 -0.20 0.58 0.09 0.00 0.00 178.44 179.40 2cg3 h VAL 619 N 0.16 0.53 -1.10 1.22 2.07 0.35 0.12 116.25 119.59 2cg3 h VAL 619 Ca 0.01 -0.48 0.34 0.00 0.82 0.00 0.00 66.70 67.39 2cg3 h VAL 619 Cb 0.89 0.73 -0.13 0.00 -1.52 0.00 0.00 31.29 31.26 2cg3 h VAL 619 CO 0.07 0.08 0.68 -0.26 0.02 0.00 0.00 177.57 178.16 2cg3 h PHE 620 N -0.85 0.75 0.00 1.57 0.05 -0.82 1.21 116.94 118.84 2cg3 h PHE 620 Ca -0.06 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.76 2cg3 h PHE 620 Cb 0.55 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 38.30 2cg3 h PHE 620 CO 0.01 -0.11 0.00 0.39 -0.18 0.00 0.00 178.31 178.42 2cg3 n GLU 621 N -4.83 0.34 -3.06 1.51 1.02 0.00 -4.91 120.64 110.71 2cg3 n GLU 621 Ca 0.31 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2cg3 n GLU 621 Cb 1.07 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 31.05 2cg3 n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cg3 n GLY 622 N 1.07 -0.07 0.00 0.62 0.00 0.41 -4.96 105.19 102.26 2cg3 n GLY 622 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2cg3 n GLY 622 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cg3 n LYS 623 N -3.25 5.14 -3.70 1.61 5.02 0.34 -4.80 118.16 118.50 2cg3 n LYS 623 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 2cg3 n LYS 623 Cb 0.58 -0.38 -0.13 0.00 -0.02 0.00 0.00 35.03 35.09 2cg3 n LYS 623 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2cg3 s LEU 624 N -1.50 2.82 0.37 -0.35 2.96 -0.73 -4.28 118.68 117.96 2cg3 s LEU 624 Ca 0.00 -2.80 -0.24 0.00 -0.22 0.00 0.00 54.13 50.87 2cg3 s LEU 624 Cb 0.00 -1.05 -0.10 0.00 0.50 0.00 0.00 46.19 45.54 2cg3 s LEU 624 CO 0.00 -0.24 0.97 -0.54 -1.32 0.00 0.00 176.35 175.22 2cg3 s LYS 625 N 0.13 4.39 0.05 1.98 3.01 -1.10 -4.27 119.74 123.94 2cg3 s LYS 625 Ca 0.20 1.29 0.01 0.00 -1.01 0.00 0.00 55.97 56.47 2cg3 s LYS 625 Cb -0.20 -2.55 -0.03 0.00 -1.01 0.00 0.00 37.83 34.05 2cg3 s LYS 625 CO -0.03 0.10 -0.06 0.45 0.51 0.00 0.00 175.35 176.31 2cg3 s SER 626 N -1.79 0.81 0.16 2.83 0.15 -1.26 -1.38 113.70 113.21 2cg3 s SER 626 Ca 0.55 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 2cg3 s SER 626 Cb -0.16 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2cg3 s SER 626 CO 0.21 -0.33 0.10 -0.94 1.20 0.00 0.00 173.24 173.48 2cg3 s SER 627 N -2.10 0.24 0.00 5.45 1.04 0.94 -4.95 113.70 114.31 2cg3 s SER 627 Ca -0.03 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2cg3 s SER 627 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2cg3 s SER 627 CO -0.02 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2cg3 n GLY 628 N -0.16 -0.29 3.64 7.32 0.00 -1.26 0.37 105.19 114.80 2cg3 n GLY 628 Ca -0.03 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 2cg3 n GLY 628 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cg3 s ASN 629 N -4.00 6.64 0.00 1.61 3.84 0.34 -4.88 114.94 118.49 2cg3 s ASN 629 Ca 0.00 1.66 0.24 0.00 0.21 0.00 0.00 52.86 54.98 2cg3 s ASN 629 Cb 0.00 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.26 2cg3 s ASN 629 CO 0.00 -1.03 1.79 -0.81 -2.79 0.00 0.00 177.10 174.26 2cg3 n PRO 630 N 7.21 0.09 0.06 0.43 -0.04 -1.26 -3.56 135.00 137.94 2cg3 n PRO 630 Ca 0.16 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 2cg3 n PRO 630 Cb 0.45 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.71 2cg3 n PRO 630 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cg3 n LEU 631 N -1.44 0.65 -0.05 1.53 4.77 -1.26 -4.55 117.00 116.65 2cg3 n LEU 631 Ca 0.07 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2cg3 n LEU 631 Cb 0.26 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2cg3 n LEU 631 CO 0.22 -0.08 0.77 -0.07 -1.33 0.00 0.00 177.39 176.90 2cg3 h LEU 632 N 0.00 0.28 -0.61 2.23 3.38 -1.93 -1.39 115.31 117.27 2cg3 h LEU 632 Ca 0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2cg3 h LEU 632 Cb 0.70 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2cg3 h LEU 632 CO 0.00 0.50 0.36 0.25 0.09 0.00 0.00 178.44 179.64 2cg3 h LEU 633 N 0.06 0.58 -0.44 1.67 5.85 -1.87 0.10 115.31 121.26 2cg3 h LEU 633 Ca 0.05 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2cg3 h LEU 633 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2cg3 h LEU 633 CO 0.01 0.40 0.14 1.23 -0.34 0.00 0.00 178.44 179.88 2cg3 h GLY 634 N 0.71 0.73 0.86 3.75 0.00 -1.79 0.05 103.07 107.36 2cg3 h GLY 634 Ca 0.25 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.22 2cg3 h GLY 634 CO -0.12 0.40 0.60 1.46 0.00 0.00 0.00 176.54 178.88 2cg3 h GLN 635 N 0.57 1.05 0.21 4.80 4.20 0.03 -0.02 115.11 125.95 2cg3 h GLN 635 Ca 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2cg3 h GLN 635 Cb 0.25 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2cg3 h GLN 635 CO -0.01 0.69 -0.10 1.25 -0.67 0.00 0.00 178.83 180.00 2cg3 h LEU 636 N 1.08 -0.24 -1.39 1.46 5.85 -0.49 -2.88 115.31 118.71 2cg3 h LEU 636 Ca 0.39 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 59.05 2cg3 h LEU 636 Cb 0.16 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2cg3 h LEU 636 CO -0.14 0.09 0.55 -0.26 -0.34 0.00 0.00 178.44 178.34 2cg3 h PHE 637 N -0.59 0.70 0.00 1.25 0.04 -0.75 -3.25 116.94 114.34 2cg3 h PHE 637 Ca -0.03 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 2cg3 h PHE 637 Cb 0.43 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2cg3 h PHE 637 CO 0.02 0.26 -0.11 0.41 -0.60 0.00 0.00 178.31 178.29 2cg3 n GLY 638 N -1.46 2.32 2.25 -1.45 0.00 -0.04 -4.85 105.19 101.95 2cg3 n GLY 638 Ca 0.17 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 2cg3 n GLY 638 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cg3 n LEU 640 N 2.43 -3.61 -4.88 0.99 4.32 -1.23 -5.07 117.00 109.95 2cg3 n LEU 640 Ca 0.24 1.94 -0.30 0.00 -0.02 0.00 0.00 56.01 57.88 2cg3 n LEU 640 Cb 0.59 -2.41 0.16 0.00 -1.62 0.00 0.00 43.42 40.14 2cg3 n LEU 640 CO 0.12 -2.37 0.82 -0.83 -1.22 0.00 0.00 177.39 173.92 2cg3 s GLY 641 N -0.31 1.70 0.30 -0.72 0.00 -0.13 -4.93 107.32 103.22 2cg3 s GLY 641 Ca -0.01 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.80 2cg3 s GLY 641 CO 0.04 -0.29 -0.05 0.51 0.00 0.00 0.00 173.10 173.32 2cg3 s ASP 642 N -4.65 2.91 -0.06 1.64 3.84 -1.26 -4.80 116.67 114.29 2cg3 s ASP 642 Ca 0.70 -1.22 0.02 0.00 -0.00 0.00 0.00 52.55 52.05 2cg3 s ASP 642 Cb -0.07 -0.20 -0.03 0.00 -1.38 0.00 0.00 42.92 41.24 2cg3 s ASP 642 CO 0.52 -0.36 -0.12 -0.36 -0.00 0.00 0.00 175.17 174.86 2cg3 s PHE 643 N -2.97 2.79 0.13 2.11 0.40 -1.26 -5.10 117.98 114.08 2cg3 s PHE 643 Ca 0.31 -0.12 -0.31 0.00 -0.60 0.00 0.00 56.93 56.21 2cg3 s PHE 643 Cb 0.04 -1.67 -0.10 0.00 0.51 0.00 0.00 43.02 41.80 2cg3 s PHE 643 CO 0.13 0.22 1.79 0.34 0.70 0.00 0.00 175.22 178.40 2cg3 s ASP 644 N -0.69 6.44 0.02 1.36 2.15 -1.26 -4.97 116.67 119.72 2cg3 s ASP 644 Ca 0.11 2.74 -0.26 0.00 0.43 0.00 0.00 52.55 55.57 2cg3 s ASP 644 Cb -0.11 -2.57 -0.17 0.00 -0.30 0.00 0.00 42.92 39.77 2cg3 s ASP 644 CO 0.01 -0.98 1.34 0.15 -0.17 0.00 0.00 175.17 175.52 2cg3 h PHE 645 N 8.28 -0.38 -0.11 -5.34 3.57 -1.99 -3.36 116.94 117.60 2cg3 h PHE 645 Ca -0.45 -0.01 -0.36 0.00 3.53 0.00 0.00 57.97 60.68 2cg3 h PHE 645 Cb 1.21 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 2cg3 h PHE 645 CO 0.77 -0.08 0.88 0.91 -2.23 0.00 0.00 178.31 178.56 2cg3 n TRP 646 N -5.16 0.84 -1.24 0.41 7.02 -1.26 -4.58 117.44 113.47 2cg3 n TRP 646 Ca -0.10 -2.00 -0.33 0.00 -1.02 0.00 0.00 57.50 54.06 2cg3 n TRP 646 Cb 0.25 -1.83 0.11 0.00 -2.42 0.00 0.00 31.31 27.42 2cg3 n TRP 646 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2cg3 s PHE 647 N 1.04 2.04 0.38 -5.99 -0.71 -1.26 -4.97 117.98 108.51 2cg3 s PHE 647 Ca 0.67 1.64 -0.27 0.00 -1.04 0.00 0.00 56.93 57.93 2cg3 s PHE 647 Cb 0.28 -3.36 -0.09 0.00 -1.21 0.00 0.00 43.02 38.64 2cg3 s PHE 647 CO -0.04 -2.49 1.27 -0.51 -1.34 0.00 0.00 175.22 172.11 2cg3 s ASP 648 N -2.41 6.54 0.00 1.98 1.01 -1.26 -4.96 116.67 117.56 2cg3 s ASP 648 Ca 0.70 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.54 2cg3 s ASP 648 Cb -0.25 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.04 2cg3 s ASP 648 CO 0.50 -0.69 0.00 -0.38 0.21 0.00 0.00 175.17 174.81 2cg3 n ILE 649 N 0.37 0.00 0.88 0.77 5.41 -1.26 -4.81 119.36 120.71 2cg3 n ILE 649 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.88 2cg3 n ILE 649 Cb 0.44 -1.24 0.30 0.00 -0.71 0.00 0.00 39.64 38.43 2cg3 n ILE 649 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2cg3 n VAL 650 N -2.86 0.31 -4.04 1.39 0.24 -1.26 -4.81 118.33 107.30 2cg3 n VAL 650 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.72 2cg3 n VAL 650 Cb 0.43 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.35 2cg3 n VAL 650 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2cg3 s THR 651 N -1.69 0.19 0.73 3.34 -4.23 -1.26 -4.87 115.64 107.86 2cg3 s THR 651 Ca 0.34 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 2cg3 s THR 651 Cb 0.19 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.55 2cg3 s THR 651 CO 0.28 -0.87 1.17 -2.16 -0.54 0.00 0.00 174.62 172.50 2cg3 s PRO 652 N -3.92 2.19 0.20 3.99 0.04 -1.26 -4.83 135.00 131.42 2cg3 s PRO 652 Ca 0.08 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2cg3 s PRO 652 Cb 0.07 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.59 2cg3 s PRO 652 CO -0.09 -1.77 0.64 0.00 0.04 0.00 0.00 177.00 175.83 2cg3 n ALA 653 N -2.85 -2.42 -1.34 8.56 0.00 -1.26 -4.96 120.51 116.23 2cg3 n ALA 653 Ca 0.12 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 2cg3 n ALA 653 Cb 0.51 -1.70 0.12 0.00 0.00 0.00 0.00 19.45 18.38 2cg3 n ALA 653 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cg3 s ALA 654 N -0.94 1.87 0.00 0.00 0.00 -1.26 -5.10 121.76 116.32 2cg3 s ALA 654 Ca 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2cg3 s ALA 654 Cb -0.91 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2cg3 s ALA 654 CO 0.57 -2.07 0.00 1.17 0.00 0.00 0.00 175.76 175.43