#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3req n THR 17 N 0.00 0.25 -2.32 1.96 -1.04 -1.26 -4.92 114.28 106.96 3req n THR 17 Ca 0.00 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.05 61.20 3req n THR 17 Cb 0.00 -2.27 -0.02 0.00 -1.82 0.00 0.00 70.33 66.22 3req n THR 17 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3req s PRO 18 N 6.52 4.17 -0.03 -2.82 0.04 -1.26 -4.97 135.00 136.64 3req s PRO 18 Ca 1.04 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 63.83 3req s PRO 18 Cb -0.50 -2.77 -0.30 0.00 0.04 0.00 0.00 34.50 30.97 3req s PRO 18 CO 0.39 -0.22 0.73 1.79 0.04 0.00 0.00 177.00 179.73 3req h THR 19 N 2.48 1.00 -3.08 1.26 1.35 -2.09 -3.44 112.91 110.39 3req h THR 19 Ca -0.48 -2.59 -0.46 0.00 -0.55 0.00 0.00 66.41 62.32 3req h THR 19 Cb 1.23 2.77 -0.41 0.00 -1.73 0.00 0.00 68.15 70.01 3req h THR 19 CO 0.63 0.84 -0.75 0.42 -0.25 0.00 0.00 175.52 176.41 3req s THR 20 N -2.59 -0.01 0.08 6.82 -4.23 -1.26 -5.15 115.64 109.30 3req s THR 20 Ca -0.14 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3req s THR 20 Cb 0.06 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 3req s THR 20 CO 0.86 -0.26 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.37 3req s LEU 21 N 2.11 2.38 -0.09 4.79 0.20 -1.26 -5.15 118.68 121.65 3req s LEU 21 Ca 0.02 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.07 3req s LEU 21 Cb -0.16 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.34 3req s LEU 21 CO -0.09 -0.28 -0.08 -0.94 -0.29 0.00 0.00 176.35 174.68 3req s SER 22 N -2.29 4.53 -0.01 3.68 1.04 -1.26 -4.97 113.70 114.42 3req s SER 22 Ca 0.02 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.35 3req s SER 22 Cb -0.04 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.77 3req s SER 22 CO -0.01 0.30 -0.01 0.18 0.98 0.00 0.00 173.24 174.68 3req n LEU 23 N 2.64 2.21 -1.71 2.42 4.77 -1.26 -4.67 117.00 121.40 3req n LEU 23 Ca -0.18 -0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.87 3req n LEU 23 Cb 0.53 -0.03 0.36 0.00 -2.33 0.00 0.00 43.42 41.95 3req n LEU 23 CO 0.28 0.38 0.80 0.00 -1.33 0.00 0.00 177.39 177.53 3req n ALA 24 N -2.66 3.63 -0.06 -1.18 0.00 -1.26 -3.55 120.51 115.43 3req n ALA 24 Ca -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3req n ALA 24 Cb 0.51 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3req n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 25 N 0.65 -0.97 0.00 0.00 0.00 -1.26 -4.52 105.19 99.09 3req n GLY 25 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3req n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3req n ASP 26 N -0.05 0.79 -4.65 1.61 9.92 -1.23 -4.91 116.55 118.03 3req n ASP 26 Ca 0.00 -0.73 -0.26 0.00 -0.53 0.00 0.00 54.79 53.27 3req n ASP 26 Cb 0.04 1.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.46 3req n ASP 26 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3req s PHE 27 N -3.08 2.81 0.57 1.24 0.08 -1.26 -5.14 117.98 113.20 3req s PHE 27 Ca 0.06 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.75 3req s PHE 27 Cb 0.16 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3req s PHE 27 CO 0.85 0.53 1.34 -2.14 -0.10 0.00 0.00 175.22 175.70 3req s PRO 28 N -3.04 2.98 0.32 0.24 0.02 -1.26 -4.97 135.00 129.30 3req s PRO 28 Ca 0.28 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.21 3req s PRO 28 Cb -0.09 -2.15 -0.10 0.00 0.02 0.00 0.00 34.50 32.19 3req s PRO 28 CO 0.18 -1.30 1.20 -1.59 -0.33 0.00 0.00 177.00 175.16 3req s LYS 29 N -3.03 4.42 -0.10 5.54 0.00 -1.26 -5.01 119.74 120.30 3req s LYS 29 Ca 0.75 1.99 -0.04 0.00 0.00 0.00 0.00 55.97 58.67 3req s LYS 29 Cb -0.40 -3.06 -0.04 0.00 0.00 0.00 0.00 37.83 34.34 3req s LYS 29 CO 0.46 -0.05 0.07 0.00 0.00 0.00 0.00 175.35 175.83 3req s ALA 30 N -1.19 3.56 0.54 0.59 0.00 -1.26 -5.11 121.76 118.90 3req s ALA 30 Ca 0.48 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3req s ALA 30 Cb -0.35 -1.71 0.08 0.00 0.00 0.00 0.00 23.12 21.15 3req s ALA 30 CO 0.46 0.61 0.70 0.25 0.00 0.00 0.00 175.76 177.77 3req n THR 31 N 2.04 0.00 0.22 0.00 -2.24 -1.26 -5.02 114.28 108.01 3req n THR 31 Ca -0.19 -1.86 0.08 0.00 -2.27 0.00 0.00 64.05 59.80 3req n THR 31 Cb 0.54 -0.46 0.47 0.00 -2.10 0.00 0.00 70.33 68.79 3req n THR 31 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3req h GLU 32 N 0.00 0.00 -0.21 -0.78 4.81 -2.00 -3.10 114.58 113.30 3req h GLU 32 Ca -0.27 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 3req h GLU 32 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3req h GLU 32 CO 0.39 0.27 -0.42 0.93 -0.73 0.00 0.00 179.01 179.45 3req h GLU 33 N 0.00 0.51 0.00 1.92 3.07 -1.97 -1.14 114.58 116.97 3req h GLU 33 Ca -0.00 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 58.51 3req h GLU 33 Cb 0.67 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3req h GLU 33 CO 0.04 0.84 -0.42 1.96 -1.40 0.00 0.00 179.01 180.02 3req h GLN 34 N 0.41 0.00 0.12 2.33 4.20 -1.94 0.44 115.11 120.67 3req h GLN 34 Ca 0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.55 3req h GLN 34 Cb 0.91 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.72 3req h GLN 34 CO 0.08 0.42 -0.84 2.35 -0.67 0.00 0.00 178.83 180.17 3req h TRP 35 N 0.00 0.62 -0.43 2.96 7.01 -1.61 -2.24 115.95 122.25 3req h TRP 35 Ca -0.00 -0.42 0.09 0.00 2.11 0.00 0.00 58.89 60.66 3req h TRP 35 Cb 1.09 -0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 28.03 3req h TRP 35 CO 0.00 1.30 -0.15 0.93 -2.79 0.00 0.00 178.44 177.73 3req h GLU 36 N -0.24 -0.06 0.24 2.65 5.08 -0.81 0.18 114.58 121.62 3req h GLU 36 Ca -0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3req h GLU 36 Cb 1.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3req h GLU 36 CO 0.16 -0.04 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.87 3req h ARG 37 N -0.06 -0.39 -0.11 2.33 9.65 -0.25 -3.25 114.38 122.29 3req h ARG 37 Ca 0.21 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 3req h ARG 37 Cb 0.38 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3req h ARG 37 CO -0.47 -0.26 0.09 0.93 2.80 0.00 0.00 179.97 183.05 3req h GLU 38 N -0.41 0.00 -0.15 0.20 4.39 -0.33 -2.71 114.58 115.57 3req h GLU 38 Ca -0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3req h GLU 38 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3req h GLU 38 CO 0.00 0.00 -0.33 0.28 -1.16 0.00 0.00 179.01 177.80 3req h VAL 39 N 0.00 1.28 0.03 3.13 2.07 -1.47 -2.69 116.25 118.61 3req h VAL 39 Ca 0.05 -1.35 -0.25 0.00 0.82 0.00 0.00 66.70 65.98 3req h VAL 39 Cb 0.23 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3req h VAL 39 CO -0.00 0.41 -1.25 -0.33 0.02 0.00 0.00 177.57 176.42 3req h GLU 40 N 0.26 0.06 0.00 1.57 5.08 -1.54 -3.06 114.58 116.95 3req h GLU 40 Ca 0.03 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3req h GLU 40 Cb 0.71 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3req h GLU 40 CO 0.05 0.93 -0.52 -0.22 -1.00 0.00 0.00 179.01 178.25 3req h LYS 41 N 0.02 0.00 0.01 2.33 3.64 -1.32 -1.77 116.57 119.48 3req h LYS 41 Ca -0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3req h LYS 41 Cb 1.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 3req h LYS 41 CO 0.13 0.52 -0.00 0.28 -2.27 0.00 0.00 179.45 178.10 3req h VAL 42 N 0.00 1.53 0.00 2.00 2.07 -1.58 -3.15 116.25 117.12 3req h VAL 42 Ca -0.01 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 3req h VAL 42 Cb 1.17 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3req h VAL 42 CO 0.07 0.42 -0.33 -0.07 0.02 0.00 0.00 177.57 177.68 3req h LEU 43 N -0.72 0.00 -1.33 2.57 4.07 -1.52 -3.12 115.31 115.26 3req h LEU 43 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3req h LEU 43 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3req h LEU 43 CO 0.00 0.33 0.00 0.59 -1.08 0.00 0.00 178.44 178.28 3req n ASN 44 N -3.50 2.07 -4.68 -0.43 3.02 -0.67 -4.90 115.26 106.17 3req n ASN 44 Ca -0.00 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 3req n ASN 44 Cb 0.48 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3req n ASN 44 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3req s ARG 45 N -1.99 4.16 0.00 3.52 6.06 -1.18 -0.99 118.95 128.53 3req s ARG 45 Ca 0.34 2.48 0.00 0.00 -2.50 0.00 0.00 55.73 56.05 3req s ARG 45 Cb 0.21 -3.75 0.00 0.00 0.06 0.00 0.00 34.95 31.47 3req s ARG 45 CO 0.32 -0.83 0.00 0.41 -2.50 0.00 0.00 175.30 172.70 3req n GLY 46 N 4.21 0.61 3.04 8.12 0.00 -1.26 -5.06 105.19 114.85 3req n GLY 46 Ca 0.18 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3req n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3req s ARG 47 N -3.58 1.99 1.13 1.61 0.52 -0.16 -5.13 118.95 115.32 3req s ARG 47 Ca 0.00 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 3req s ARG 47 Cb 0.00 -1.68 0.26 0.00 0.52 0.00 0.00 34.95 34.04 3req s ARG 47 CO 0.00 -0.03 1.05 -2.14 0.02 0.00 0.00 175.30 174.20 3req s PRO 48 N 0.88 -0.61 0.30 3.54 0.02 -1.26 -4.96 135.00 132.93 3req s PRO 48 Ca -0.10 0.60 -0.00 0.00 0.02 0.00 0.00 61.00 61.52 3req s PRO 48 Cb -0.15 -1.61 0.51 0.00 0.02 0.00 0.00 34.50 33.27 3req s PRO 48 CO 0.01 -3.45 1.94 -1.00 -0.33 0.00 0.00 177.00 174.16 3req h PRO 49 N -2.42 1.02 0.00 5.54 0.13 -2.00 -3.32 132.00 130.95 3req h PRO 49 Ca -0.58 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3req h PRO 49 Cb 1.34 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3req h PRO 49 CO 0.52 0.67 0.00 -0.85 -0.23 0.00 0.00 178.00 178.11 3req n GLU 50 N -4.46 0.00 -3.01 0.86 0.00 -1.26 -4.20 120.64 108.57 3req n GLU 50 Ca 0.12 0.26 -0.44 0.00 0.00 0.00 0.00 57.16 57.09 3req n GLU 50 Cb 0.14 -1.03 -0.03 0.00 0.00 0.00 0.00 31.44 30.52 3req n GLU 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3req s LYS 51 N -1.12 3.51 -0.04 3.44 -0.14 -1.25 -4.99 119.74 119.15 3req s LYS 51 Ca 0.00 -1.78 0.06 0.00 -1.36 0.00 0.00 55.97 52.89 3req s LYS 51 Cb 0.00 -4.71 -0.02 0.00 -1.68 0.00 0.00 37.83 31.42 3req s LYS 51 CO 0.00 -1.66 -0.21 -0.65 -0.76 0.00 0.00 175.35 172.06 3req s GLN 52 N 2.32 2.41 0.13 1.68 -1.52 -1.26 -4.67 119.66 118.75 3req s GLN 52 Ca 0.27 -0.84 -0.06 0.00 -1.95 0.00 0.00 55.36 52.79 3req s GLN 52 Cb -0.09 -2.21 -0.06 0.00 -0.22 0.00 0.00 33.01 30.44 3req s GLN 52 CO -0.06 0.52 0.39 -0.51 -0.25 0.00 0.00 175.29 175.37 3req s LEU 53 N -0.49 4.27 0.00 2.90 1.43 -1.26 -5.10 118.68 120.44 3req s LEU 53 Ca 0.06 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3req s LEU 53 Cb -0.11 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3req s LEU 53 CO 0.01 0.07 0.00 0.35 0.23 0.00 0.00 176.35 177.01 3req n THR 54 N 0.23 0.00 0.08 5.49 -2.24 -1.26 -4.90 114.28 111.68 3req n THR 54 Ca -0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3req n THR 54 Cb 0.52 -0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 3req n THR 54 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3req h PHE 55 N 0.04 0.18 -0.12 4.78 3.57 -1.98 -1.04 116.94 122.37 3req h PHE 55 Ca 0.00 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 3req h PHE 55 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3req h PHE 55 CO 0.00 0.98 -0.24 0.00 -2.23 0.00 0.00 178.31 176.82 3req h ALA 56 N 0.98 0.19 -0.10 2.41 0.00 -1.98 0.37 119.26 121.13 3req h ALA 56 Ca -0.04 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3req h ALA 56 Cb 1.62 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3req h ALA 56 CO 0.14 0.17 -0.17 0.93 0.00 0.00 0.00 179.25 180.31 3req h GLU 57 N -0.04 -0.22 0.39 0.00 5.08 -1.95 -1.74 114.58 116.10 3req h GLU 57 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3req h GLU 57 Cb 0.83 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3req h GLU 57 CO 0.05 -0.15 -0.44 0.00 -1.00 0.00 0.00 179.01 177.48 3req h LEU 59 N -0.86 -0.67 -1.00 0.00 5.85 0.55 -2.36 115.31 116.82 3req h LEU 59 Ca -0.04 0.09 0.29 0.00 0.84 0.00 0.00 57.88 59.06 3req h LEU 59 Cb 0.77 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 3req h LEU 59 CO -0.09 -0.14 0.58 0.50 -0.34 0.00 0.00 178.44 178.95 3req h LYS 60 N -0.13 0.42 0.00 1.25 1.63 -1.40 -1.27 116.57 117.07 3req h LYS 60 Ca 0.03 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3req h LYS 60 Cb 0.21 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3req h LYS 60 CO -0.22 0.28 -0.16 0.00 -3.45 0.00 0.00 179.45 175.90 3req h ARG 61 N 0.43 0.00 -0.01 1.90 3.08 -1.20 -3.11 114.38 115.47 3req h ARG 61 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.74 3req h ARG 61 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.52 3req h ARG 61 CO -0.55 0.16 -0.32 1.28 -1.07 0.00 0.00 179.97 179.47 3req n LEU 62 N -3.80 1.74 -4.76 3.04 4.77 -0.54 -4.95 117.00 112.51 3req n LEU 62 Ca -0.02 -0.78 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 3req n LEU 62 Cb 0.27 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3req n LEU 62 CO 0.32 0.33 0.49 -0.89 -1.33 0.00 0.00 177.39 176.31 3req s THR 63 N -1.93 4.53 -0.14 -5.08 2.01 -0.84 -4.48 115.64 109.71 3req s THR 63 Ca 0.15 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.85 3req s THR 63 Cb 0.14 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 3req s THR 63 CO 0.41 0.44 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.94 3req s VAL 64 N -0.61 2.77 -0.17 3.82 1.01 -0.01 -4.94 120.40 122.27 3req s VAL 64 Ca 0.38 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3req s VAL 64 Cb -0.22 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3req s VAL 64 CO 0.25 0.52 0.07 -1.00 0.00 0.00 0.00 175.10 174.94 3req s HIS 65 N 0.53 3.28 0.23 5.22 3.76 -1.26 -0.58 115.29 126.46 3req s HIS 65 Ca -0.10 0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 54.91 3req s HIS 65 Cb -0.16 -2.04 0.05 0.00 1.11 0.00 0.00 32.58 31.54 3req s HIS 65 CO 0.04 0.24 0.25 0.25 -0.85 0.00 0.00 174.74 174.67 3req n THR 66 N 3.27 0.00 0.09 1.30 -2.24 0.40 -4.95 114.28 112.15 3req n THR 66 Ca -0.17 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 3req n THR 66 Cb 0.53 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3req n THR 66 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3req h VAL 67 N -1.45 1.57 -0.68 2.28 2.07 -1.98 -3.28 116.25 114.78 3req h VAL 67 Ca -0.09 -2.80 -0.39 0.00 0.82 0.00 0.00 66.70 64.24 3req h VAL 67 Cb 0.25 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 32.32 3req h VAL 67 CO 0.06 0.80 0.22 -0.90 0.02 0.00 0.00 177.57 177.77 3req n ASP 68 N -3.57 3.85 0.00 0.57 5.68 -1.26 -4.91 116.55 116.90 3req n ASP 68 Ca -0.01 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.54 3req n ASP 68 Cb 0.80 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3req n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3req n GLY 69 N -1.07 2.94 3.68 6.12 0.00 -1.24 -4.98 105.19 110.64 3req n GLY 69 Ca 0.47 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 46.00 3req n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3req n ILE 70 N -2.00 0.36 -3.54 -0.61 2.08 -1.26 -4.57 119.36 109.82 3req n ILE 70 Ca 0.00 -0.06 -0.37 0.00 0.56 0.00 0.00 62.75 62.88 3req n ILE 70 Cb 0.00 -1.65 -0.07 0.00 -0.75 0.00 0.00 39.64 37.18 3req n ILE 70 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3req s ASP 71 N 2.94 6.53 -0.27 4.38 1.01 -1.26 -0.46 116.67 129.55 3req s ASP 71 Ca 0.89 0.63 0.02 0.00 0.71 0.00 0.00 52.55 54.80 3req s ASP 71 Cb -0.75 -2.20 0.07 0.00 1.01 0.00 0.00 42.92 41.06 3req s ASP 71 CO 0.49 0.16 -0.06 -0.63 0.21 0.00 0.00 175.17 175.34 3req s ILE 72 N 0.03 1.97 0.45 0.77 1.01 0.25 -4.97 121.20 120.72 3req s ILE 72 Ca 0.19 -1.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 3req s ILE 72 Cb -0.14 -2.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 3req s ILE 72 CO 0.06 -0.15 0.85 0.68 0.00 0.00 0.00 174.94 176.38 3req s VAL 73 N 1.17 4.71 0.32 2.92 -7.23 -1.26 -0.83 120.40 120.20 3req s VAL 73 Ca -0.05 0.79 0.11 0.00 -1.81 0.00 0.00 61.98 61.02 3req s VAL 73 Cb -0.19 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.04 3req s VAL 73 CO -0.06 -0.63 1.73 1.55 -0.31 0.00 0.00 175.10 177.38 3req h PRO 74 N 1.00 0.05 -4.20 4.82 0.14 -1.94 -3.44 132.00 128.44 3req h PRO 74 Ca -0.47 -0.03 -0.52 0.00 0.14 0.00 0.00 66.00 65.12 3req h PRO 74 Cb 1.19 0.00 -0.37 0.00 0.14 0.00 0.00 31.00 31.96 3req h PRO 74 CO 0.63 0.50 -0.80 -1.64 0.14 0.00 0.00 178.00 176.83 3req s MET 75 N -4.00 1.47 0.09 0.86 -1.94 -1.26 -5.14 119.30 109.38 3req s MET 75 Ca -0.03 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3req s MET 75 Cb 0.14 -1.54 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 3req s MET 75 CO 0.75 -0.26 0.24 0.71 -0.01 0.00 0.00 175.02 176.45 3req s TYR 76 N 1.68 3.51 0.29 -0.03 1.51 -1.26 -5.06 117.35 117.99 3req s TYR 76 Ca 0.04 0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.43 3req s TYR 76 Cb -0.13 -1.76 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 3req s TYR 76 CO -0.08 0.56 -0.11 1.03 -1.11 0.00 0.00 175.55 175.85 3req s ARG 77 N -2.70 1.63 0.47 -0.62 0.52 -1.26 -4.88 118.95 112.11 3req s ARG 77 Ca 0.35 -1.80 0.32 0.00 -0.52 0.00 0.00 55.73 54.08 3req s ARG 77 Cb -0.12 -1.43 1.42 0.00 0.52 0.00 0.00 34.95 35.34 3req s ARG 77 CO 0.28 0.14 1.70 -1.35 0.02 0.00 0.00 175.30 176.09 3req h PRO 78 N 2.24 0.13 0.00 3.54 0.11 -1.97 -0.86 132.00 135.18 3req h PRO 78 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3req h PRO 78 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3req h PRO 78 CO 0.66 0.08 0.00 0.36 -0.21 0.00 0.00 178.00 178.90 3req n LYS 79 N -4.44 0.62 -0.00 1.05 2.85 -1.26 -3.26 118.16 113.72 3req n LYS 79 Ca 0.32 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.58 3req n LYS 79 Cb 1.33 -1.11 -0.11 0.00 -0.65 0.00 0.00 35.03 34.49 3req n LYS 79 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3req n ASP 80 N -0.61 0.58 -4.93 -5.58 8.00 -0.33 -4.90 116.55 108.77 3req n ASP 80 Ca 0.03 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.53 3req n ASP 80 Cb 0.02 0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 3req n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3req s ALA 81 N -2.92 3.71 1.17 2.24 0.00 -1.20 -2.98 121.76 121.78 3req s ALA 81 Ca -0.05 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 3req s ALA 81 Cb 0.09 -2.13 0.21 0.00 0.00 0.00 0.00 23.12 21.29 3req s ALA 81 CO 0.83 0.16 0.50 -0.35 0.00 0.00 0.00 175.76 176.89 3req n PRO 82 N -1.29 -2.23 -0.05 0.00 -0.04 -1.26 -5.00 135.00 125.12 3req n PRO 82 Ca -0.04 -0.63 -0.02 0.00 -0.04 0.00 0.00 63.50 62.77 3req n PRO 82 Cb 0.55 -1.91 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 3req n PRO 82 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3req h LYS 83 N -2.46 0.00 -6.02 0.54 1.63 -1.99 -3.44 116.57 104.83 3req h LYS 83 Ca -0.58 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 58.64 3req h LYS 83 Cb 1.34 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.92 3req h LYS 83 CO 0.43 0.00 -0.09 0.15 -3.45 0.00 0.00 179.45 176.50 3req s LYS 84 N -1.76 4.21 0.10 1.90 1.02 -1.26 -5.00 119.74 118.96 3req s LYS 84 Ca -0.05 0.60 0.06 0.00 0.02 0.00 0.00 55.97 56.61 3req s LYS 84 Cb 0.01 -3.31 -0.22 0.00 -0.52 0.00 0.00 37.83 33.78 3req s LYS 84 CO 0.07 0.45 1.22 -0.07 -0.92 0.00 0.00 175.35 176.10 3req h LEU 85 N 5.43 0.04 0.00 3.17 3.38 -2.01 -3.50 115.31 121.83 3req h LEU 85 Ca -0.47 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3req h LEU 85 Cb 1.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3req h LEU 85 CO 0.68 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.86 3req n GLY 86 N 1.39 1.11 3.39 0.83 0.00 -1.26 -4.86 105.19 105.79 3req n GLY 86 Ca -0.02 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3req n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3req s TYR 87 N -2.76 2.39 0.57 1.61 1.51 -1.26 -4.99 117.35 114.43 3req s TYR 87 Ca 0.00 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 3req s TYR 87 Cb 0.00 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 3req s TYR 87 CO 0.00 0.21 1.11 -1.25 -1.11 0.00 0.00 175.55 174.52 3req s PRO 88 N -1.50 3.27 0.00 -1.71 0.04 -1.26 -3.98 135.00 129.86 3req s PRO 88 Ca 0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3req s PRO 88 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3req s PRO 88 CO 0.04 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3req n GLY 89 N -0.11 1.16 3.12 0.56 0.00 -0.74 -4.89 105.19 104.28 3req n GLY 89 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3req n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3req s VAL 90 N -2.42 0.38 0.41 1.61 -7.23 -1.26 -4.91 120.40 106.98 3req s VAL 90 Ca 0.00 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.09 3req s VAL 90 Cb 0.00 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.28 3req s VAL 90 CO 0.00 -0.95 0.97 0.00 -0.31 0.00 0.00 175.10 174.81 3req n ALA 91 N 0.09 -0.02 -0.20 1.32 0.00 -1.26 -1.89 120.51 118.55 3req n ALA 91 Ca -0.14 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 3req n ALA 91 Cb 0.61 -2.05 0.06 0.00 0.00 0.00 0.00 19.45 18.07 3req n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3req h PRO 92 N 1.50 1.03 0.00 0.00 0.13 -1.97 -3.45 132.00 129.24 3req h PRO 92 Ca -0.44 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 3req h PRO 92 Cb 1.34 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3req h PRO 92 CO 0.57 0.99 0.00 1.19 -0.23 0.00 0.00 178.00 180.51 3req n PHE 93 N -4.19 0.00 0.07 1.56 3.72 -0.79 -4.60 117.46 113.22 3req n PHE 93 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 3req n PHE 93 Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 3req n PHE 93 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3req h THR 94 N 0.00 1.43 0.00 4.37 2.02 -1.84 -3.17 112.91 115.72 3req h THR 94 Ca 0.00 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.74 3req h THR 94 Cb 0.00 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3req h THR 94 CO 0.00 0.72 -0.14 0.54 0.37 0.00 0.00 175.52 177.01 3req n ARG 95 N -3.73 0.15 0.00 6.66 1.74 -1.26 -4.67 116.66 115.54 3req n ARG 95 Ca -0.05 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3req n ARG 95 Cb 0.80 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3req n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3req n GLY 96 N 1.40 1.31 0.02 -0.13 0.00 -1.20 -4.15 105.19 102.44 3req n GLY 96 Ca 0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 3req n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3req n THR 97 N -1.18 0.27 -4.09 2.61 -1.04 -1.26 -1.79 114.28 107.80 3req n THR 97 Ca 0.00 -0.14 -0.32 0.00 -2.04 0.00 0.00 64.05 61.54 3req n THR 97 Cb 0.00 -0.81 -0.16 0.00 -1.82 0.00 0.00 70.33 67.54 3req n THR 97 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3req s THR 98 N -2.10 2.07 -0.15 12.58 2.01 -1.26 -4.40 115.64 124.39 3req s THR 98 Ca -0.04 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 3req s THR 98 Cb 0.01 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3req s THR 98 CO 0.14 0.28 1.69 -0.69 -0.69 0.00 0.00 174.62 175.35 3req s VAL 99 N 1.22 3.58 0.05 3.82 1.01 -1.26 -4.94 120.40 123.88 3req s VAL 99 Ca -0.01 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 3req s VAL 99 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3req s VAL 99 CO -0.09 -0.18 1.03 -0.13 0.00 0.00 0.00 175.10 175.72 3req s ARG 100 N 4.57 4.57 0.00 2.72 0.52 -1.26 -4.99 118.95 125.07 3req s ARG 100 Ca 0.75 1.52 0.30 0.00 -0.52 0.00 0.00 55.73 57.78 3req s ARG 100 Cb -0.29 -3.40 1.40 0.00 0.52 0.00 0.00 34.95 33.18 3req s ARG 100 CO 0.30 -0.02 1.94 0.27 0.02 0.00 0.00 175.30 177.82 3req n ASN 101 N 3.50 0.77 0.00 0.23 6.94 -1.26 -4.83 115.26 120.61 3req n ASN 101 Ca 0.05 -1.17 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 3req n ASN 101 Cb 0.49 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3req n ASN 101 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3req n GLY 102 N 1.12 0.70 3.92 4.83 0.00 -1.25 -5.07 105.19 109.45 3req n GLY 102 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3req n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3req s ASP 103 N -2.72 4.54 0.00 1.61 1.01 -1.26 -4.77 116.67 115.08 3req s ASP 103 Ca 0.00 0.56 0.22 0.00 0.71 0.00 0.00 52.55 54.04 3req s ASP 103 Cb 0.00 -1.09 -0.02 0.00 1.01 0.00 0.00 42.92 42.82 3req s ASP 103 CO 0.00 -1.82 1.05 1.15 0.21 0.00 0.00 175.17 175.75 3req n MET 104 N -3.15 1.26 0.06 8.23 0.00 -1.26 -4.29 117.12 117.96 3req n MET 104 Ca 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 57.70 56.83 3req n MET 104 Cb 0.61 -1.45 -0.06 0.00 0.00 0.00 0.00 33.22 32.32 3req n MET 104 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 3req h ASP 105 N 2.29 0.00 -2.44 3.17 3.04 -1.94 -3.43 116.42 117.10 3req h ASP 105 Ca 0.00 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.16 3req h ASP 105 Cb 0.72 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.87 3req h ASP 105 CO 0.00 0.64 0.74 0.00 -2.04 0.00 0.00 179.24 178.58 3req s ALA 106 N -2.88 3.10 -0.31 4.15 0.00 -1.26 -4.77 121.76 119.79 3req s ALA 106 Ca -0.01 -2.04 -0.01 0.00 0.00 0.00 0.00 51.96 49.90 3req s ALA 106 Cb 0.08 -4.00 0.19 0.00 0.00 0.00 0.00 23.12 19.40 3req s ALA 106 CO 0.79 -2.94 0.78 -0.46 0.00 0.00 0.00 175.76 173.94 3req s TRP 107 N 3.99 -1.26 -0.38 0.00 -0.11 -1.26 -4.90 118.94 115.01 3req s TRP 107 Ca 0.28 0.61 -0.29 0.00 1.22 0.00 0.00 56.10 57.92 3req s TRP 107 Cb -0.12 0.22 -0.00 0.00 -1.50 0.00 0.00 33.47 32.07 3req s TRP 107 CO 0.04 -0.76 1.57 0.34 -4.62 0.00 0.00 176.95 173.52 3req s ASP 108 N 2.64 6.16 -0.47 5.86 2.15 -1.25 -4.90 116.67 126.85 3req s ASP 108 Ca 0.17 1.03 -0.23 0.00 0.43 0.00 0.00 52.55 53.95 3req s ASP 108 Cb -0.05 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3req s ASP 108 CO -0.21 -1.54 0.79 -0.69 -0.17 0.00 0.00 175.17 173.35 3req s VAL 109 N 6.00 4.64 -0.66 1.11 1.01 -1.26 -1.94 120.40 129.29 3req s VAL 109 Ca 0.69 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.88 3req s VAL 109 Cb -0.17 -4.35 0.17 0.00 0.00 0.00 0.00 36.38 32.03 3req s VAL 109 CO 0.33 -0.79 0.54 -0.60 0.00 0.00 0.00 175.10 174.58 3req s ARG 110 N 3.31 2.92 0.49 2.72 3.52 -1.07 -1.19 118.95 129.64 3req s ARG 110 Ca 0.28 -2.33 -0.24 0.00 -0.13 0.00 0.00 55.73 53.32 3req s ARG 110 Cb -0.13 -4.03 -0.07 0.00 -1.56 0.00 0.00 34.95 29.16 3req s ARG 110 CO 0.21 -1.22 1.36 0.00 -0.81 0.00 0.00 175.30 174.84 3req s ALA 111 N 0.36 3.04 -0.28 6.12 0.00 -1.05 -4.17 121.76 125.78 3req s ALA 111 Ca 0.15 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 3req s ALA 111 Cb -0.18 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3req s ALA 111 CO -0.05 -1.18 0.19 -1.17 0.00 0.00 0.00 175.76 173.55 3req s LEU 112 N -3.06 4.03 -0.35 0.00 2.96 -1.25 0.74 118.68 121.75 3req s LEU 112 Ca 0.65 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 3req s LEU 112 Cb -0.40 -2.12 0.10 0.00 0.50 0.00 0.00 46.19 44.27 3req s LEU 112 CO 0.50 -0.05 0.09 -1.00 -1.32 0.00 0.00 176.35 174.56 3req s HIS 113 N 1.76 3.14 -0.05 5.38 3.76 0.81 -4.96 115.29 125.13 3req s HIS 113 Ca 0.07 -2.68 0.13 0.00 -0.15 0.00 0.00 55.06 52.42 3req s HIS 113 Cb -0.16 -2.58 -0.19 0.00 1.11 0.00 0.00 32.58 30.76 3req s HIS 113 CO 0.11 -0.91 0.22 0.39 -0.85 0.00 0.00 174.74 173.70 3req n GLU 114 N 4.28 0.87 -1.63 1.40 1.02 -1.26 -2.22 120.64 123.10 3req n GLU 114 Ca 0.03 -0.09 -0.49 0.00 -0.02 0.00 0.00 57.16 56.59 3req n GLU 114 Cb 0.41 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 3req n GLU 114 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3req n ASP 115 N -2.12 2.28 0.13 1.62 -0.08 -1.26 -2.34 116.55 114.79 3req n ASP 115 Ca -0.08 1.11 -0.01 0.00 -1.51 0.00 0.00 54.79 54.30 3req n ASP 115 Cb 0.52 -1.31 0.23 0.00 2.34 0.00 0.00 41.12 42.89 3req n ASP 115 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3req h PRO 116 N 4.89 0.09 -6.71 -0.67 0.13 -1.88 -3.33 132.00 124.52 3req h PRO 116 Ca -0.46 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 3req h PRO 116 Cb 1.30 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.52 3req h PRO 116 CO 0.81 0.57 0.75 -3.47 -0.23 0.00 0.00 178.00 176.43 3req n ASP 117 N -3.95 3.35 0.03 1.44 2.03 -1.26 -4.71 116.55 113.47 3req n ASP 117 Ca -0.02 1.15 0.11 0.00 0.52 0.00 0.00 54.79 56.55 3req n ASP 117 Cb 0.53 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 39.42 3req n ASP 117 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3req n GLU 118 N 2.03 0.28 -0.00 -0.67 0.00 -1.26 -3.17 120.64 117.85 3req n GLU 118 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 57.16 57.33 3req n GLU 118 Cb 0.34 -1.59 0.06 0.00 0.00 0.00 0.00 31.44 30.26 3req n GLU 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3req n LYS 119 N -1.95 1.12 -0.13 3.44 5.02 -1.26 -2.40 118.16 121.99 3req n LYS 119 Ca 0.02 -1.41 -0.27 0.00 -2.02 0.00 0.00 58.31 54.63 3req n LYS 119 Cb 0.43 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3req n LYS 119 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3req n PHE 120 N 0.85 0.12 0.27 2.13 7.35 -1.26 -4.24 117.46 122.69 3req n PHE 120 Ca 0.09 0.05 -0.13 0.00 -0.76 0.00 0.00 57.45 56.71 3req n PHE 120 Cb 0.38 -0.97 -0.06 0.00 0.35 0.00 0.00 39.48 39.18 3req n PHE 120 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3req h THR 121 N -1.00 0.00 -0.72 -2.13 2.02 -1.71 -0.44 112.91 108.94 3req h THR 121 Ca -0.61 0.00 0.16 0.00 0.77 0.00 0.00 66.41 66.73 3req h THR 121 Cb 1.53 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.82 3req h THR 121 CO -0.37 0.00 0.09 -0.09 0.37 0.00 0.00 175.52 175.52 3req h ARG 122 N -0.77 0.18 -0.20 6.66 2.43 -1.71 -0.39 114.38 120.58 3req h ARG 122 Ca -0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3req h ARG 122 Cb 0.62 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3req h ARG 122 CO 0.06 0.12 0.10 0.87 -1.51 0.00 0.00 179.97 179.61 3req h LYS 123 N 0.18 0.28 -0.27 0.20 1.57 -1.71 -2.68 116.57 114.14 3req h LYS 123 Ca 0.40 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.17 3req h LYS 123 Cb 0.69 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 3req h LYS 123 CO -0.56 0.30 -0.43 0.00 -0.57 0.00 0.00 179.45 178.18 3req h ALA 124 N 0.97 -0.71 -0.87 3.86 0.00 0.40 0.17 119.26 123.08 3req h ALA 124 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3req h ALA 124 Cb 0.10 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 3req h ALA 124 CO -0.01 -0.91 -0.49 0.82 0.00 0.00 0.00 179.25 178.66 3req h ILE 125 N -0.35 0.02 -0.42 0.00 2.04 -1.12 0.24 117.51 117.93 3req h ILE 125 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3req h ILE 125 Cb 0.48 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 3req h ILE 125 CO -0.44 0.00 0.07 0.25 0.00 0.00 0.00 178.15 178.04 3req h LEU 126 N -0.08 -0.01 -0.50 1.44 5.85 -1.01 0.49 115.31 121.49 3req h LEU 126 Ca 0.22 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 3req h LEU 126 Cb 0.51 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3req h LEU 126 CO -0.88 0.03 -0.12 -0.08 -0.34 0.00 0.00 178.44 177.06 3req h GLU 127 N 0.20 0.95 0.00 1.25 4.81 0.18 -0.04 114.58 121.93 3req h GLU 127 Ca 0.20 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3req h GLU 127 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3req h GLU 127 CO -0.28 1.03 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 3req n GLY 128 N -0.22 -2.86 0.37 1.92 0.00 0.78 -2.09 105.19 103.09 3req n GLY 128 Ca 0.01 0.31 0.31 0.00 0.00 0.00 0.00 46.02 46.65 3req n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3req h LEU 129 N 0.00 0.36 -0.92 0.99 3.38 -0.47 0.72 115.31 119.37 3req h LEU 129 Ca 0.00 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3req h LEU 129 Cb 0.00 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3req h LEU 129 CO 0.00 -0.25 -0.22 -0.33 0.09 0.00 0.00 178.44 177.73 3req h GLU 130 N 0.14 0.00 -0.84 1.13 5.08 -1.01 -3.37 114.58 115.71 3req h GLU 130 Ca 0.80 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.65 3req h GLU 130 Cb 2.16 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.99 3req h GLU 130 CO -0.59 0.22 -0.85 0.54 -1.00 0.00 0.00 179.01 177.32 3req n ARG 131 N -3.32 3.28 0.00 2.33 1.74 0.17 -4.95 116.66 115.91 3req n ARG 131 Ca 0.01 -4.11 0.00 0.00 -0.77 0.00 0.00 57.85 52.97 3req n ARG 131 Cb 0.46 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3req n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3req n GLY 132 N -0.64 0.55 3.68 -0.13 0.00 -1.18 -4.96 105.19 102.51 3req n GLY 132 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 3req n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3req s VAL 133 N -2.00 4.55 -0.85 1.61 1.01 -0.72 -4.77 120.40 119.22 3req s VAL 133 Ca 0.00 1.85 0.22 0.00 0.00 0.00 0.00 61.98 64.05 3req s VAL 133 Cb 0.00 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 3req s VAL 133 CO 0.00 -0.06 0.98 0.35 0.00 0.00 0.00 175.10 176.37 3req n THR 134 N 4.85 0.03 -3.59 3.92 -2.24 -0.34 -4.11 114.28 112.81 3req n THR 134 Ca 0.11 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 3req n THR 134 Cb 0.47 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 3req n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3req s SER 135 N -3.28 -0.50 0.10 3.42 1.04 -0.72 -4.38 113.70 109.38 3req s SER 135 Ca 0.06 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.03 3req s SER 135 Cb 0.16 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3req s SER 135 CO 0.83 -0.59 -0.14 -0.76 0.98 0.00 0.00 173.24 173.56 3req s LEU 136 N -1.38 2.87 -0.19 2.42 1.43 -1.12 -2.52 118.68 120.19 3req s LEU 136 Ca -0.10 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3req s LEU 136 Cb -0.01 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3req s LEU 136 CO 0.06 0.19 -0.14 -0.22 0.23 0.00 0.00 176.35 176.48 3req s LEU 137 N -2.06 2.20 -0.12 1.79 2.96 0.23 -1.28 118.68 122.39 3req s LEU 137 Ca 0.19 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3req s LEU 137 Cb -0.11 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.29 3req s LEU 137 CO 0.11 -0.09 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.12 3req s LEU 138 N 1.37 1.79 -0.37 -0.68 1.02 0.83 -0.14 118.68 122.50 3req s LEU 138 Ca 0.01 -0.48 -0.25 0.00 0.02 0.00 0.00 54.13 53.44 3req s LEU 138 Cb -0.15 -1.18 0.01 0.00 0.02 0.00 0.00 46.19 44.89 3req s LEU 138 CO -0.10 0.01 0.86 -0.60 0.02 0.00 0.00 176.35 176.55 3req s ARG 139 N 1.05 3.79 -0.83 1.70 3.52 -0.94 -1.71 118.95 125.53 3req s ARG 139 Ca -0.04 0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.89 3req s ARG 139 Cb -0.15 -3.81 0.22 0.00 -1.56 0.00 0.00 34.95 29.65 3req s ARG 139 CO -0.04 -0.92 0.75 0.08 -0.81 0.00 0.00 175.30 174.37 3req s VAL 140 N 3.32 5.24 0.36 7.11 1.01 0.36 -2.50 120.40 135.30 3req s VAL 140 Ca 0.35 -2.77 0.07 0.00 0.00 0.00 0.00 61.98 59.63 3req s VAL 140 Cb -0.12 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3req s VAL 140 CO 0.18 -1.02 0.26 0.47 0.00 0.00 0.00 175.10 174.98 3req n ASP 141 N 3.62 -0.26 -0.07 3.32 8.00 -1.18 -4.24 116.55 125.75 3req n ASP 141 Ca 0.14 -3.24 -0.15 0.00 0.71 0.00 0.00 54.79 52.26 3req n ASP 141 Cb 0.44 1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 43.04 3req n ASP 141 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3req h PRO 142 N 0.00 0.72 -0.06 -0.24 0.13 -1.95 -3.07 132.00 127.54 3req h PRO 142 Ca -0.26 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 3req h PRO 142 Cb 1.23 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3req h PRO 142 CO 0.39 1.09 0.00 -0.40 -0.23 0.00 0.00 178.00 178.85 3req n ASP 143 N -4.15 0.39 -1.01 1.44 5.75 -1.26 -4.76 116.55 112.94 3req n ASP 143 Ca -0.05 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3req n ASP 143 Cb 0.57 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3req n ASP 143 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3req n ALA 144 N -0.41 0.00 -1.37 2.12 0.00 -1.16 -4.69 120.51 115.00 3req n ALA 144 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.99 3req n ALA 144 Cb 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3req n ALA 144 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3req n ILE 145 N 0.00 0.07 -2.16 0.00 5.41 -0.99 -4.32 119.36 117.37 3req n ILE 145 Ca 0.00 -0.13 -0.34 0.00 1.00 0.00 0.00 62.75 63.27 3req n ILE 145 Cb 0.00 -1.04 0.01 0.00 -0.71 0.00 0.00 39.64 37.90 3req n ILE 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3req s ALA 146 N 7.16 2.66 0.21 -1.39 0.00 -1.25 -3.07 121.76 126.07 3req s ALA 146 Ca 1.17 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 53.77 3req s ALA 146 Cb -1.17 -3.33 0.32 0.00 0.00 0.00 0.00 23.12 18.94 3req s ALA 146 CO 0.56 -0.85 1.22 -2.30 0.00 0.00 0.00 175.76 174.39 3req n PRO 147 N -1.56 -0.09 0.17 0.00 -0.02 -1.26 -1.14 135.00 131.09 3req n PRO 147 Ca 0.11 1.21 0.13 0.00 -2.02 0.00 0.00 63.50 62.94 3req n PRO 147 Cb 0.51 -1.81 0.55 0.00 -0.02 0.00 0.00 33.50 32.74 3req n PRO 147 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3req h GLU 148 N 0.00 0.00 -0.68 -0.52 3.07 -1.93 -3.25 114.58 111.26 3req h GLU 148 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3req h GLU 148 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3req h GLU 148 CO -0.80 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 177.53 3req n HIS 149 N -2.47 0.92 0.05 4.33 8.25 -0.30 -4.54 115.22 121.47 3req n HIS 149 Ca 0.02 -0.50 -0.12 0.00 -0.26 0.00 0.00 57.72 56.85 3req n HIS 149 Cb 0.24 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 3req n HIS 149 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3req h LEU 150 N 3.98 0.54 -0.14 2.41 5.85 -1.68 -1.95 115.31 124.32 3req h LEU 150 Ca 0.00 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3req h LEU 150 Cb 0.97 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3req h LEU 150 CO 0.01 1.17 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.45 3req h ASP 151 N 0.27 0.29 -0.18 1.25 1.82 -1.85 -2.95 116.42 115.08 3req h ASP 151 Ca -0.06 -0.38 0.03 0.00 -0.39 0.00 0.00 57.03 56.23 3req h ASP 151 Cb 1.45 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 41.36 3req h ASP 151 CO 0.15 0.61 0.01 -0.08 -1.61 0.00 0.00 179.24 178.31 3req h GLU 152 N -0.03 0.07 -0.03 0.28 4.57 -1.81 -2.91 114.58 114.71 3req h GLU 152 Ca 0.03 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3req h GLU 152 Cb 0.49 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3req h GLU 152 CO 0.02 0.05 0.00 1.33 -1.18 0.00 0.00 179.01 179.22 3req n VAL 153 N -5.12 0.04 0.30 0.32 0.24 -0.74 -3.70 118.33 109.68 3req n VAL 153 Ca -0.03 -0.05 0.03 0.00 -2.04 0.00 0.00 64.34 62.25 3req n VAL 153 Cb 0.10 -0.10 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 3req n VAL 153 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3req n LEU 154 N -0.52 1.28 -0.02 1.34 4.77 -1.10 -4.55 117.00 118.19 3req n LEU 154 Ca 0.09 -0.87 -0.09 0.00 -0.03 0.00 0.00 56.01 55.11 3req n LEU 154 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3req n LEU 154 CO 0.07 0.26 0.79 0.28 -1.33 0.00 0.00 177.39 177.46 3req h SER 155 N 1.07 -0.34 0.23 -1.43 0.02 -1.62 -2.12 113.55 109.36 3req h SER 155 Ca 0.00 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3req h SER 155 Cb 0.27 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3req h SER 155 CO 0.00 -0.14 -0.26 0.44 -1.14 0.00 0.00 176.83 175.73 3req h ASP 156 N -0.10 0.05 -2.91 3.07 3.32 -1.88 -3.44 116.42 114.54 3req h ASP 156 Ca 0.10 -0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.61 3req h ASP 156 Cb 0.25 -0.01 0.05 0.00 0.22 0.00 0.00 39.33 39.84 3req h ASP 156 CO -0.24 0.32 0.91 -0.69 -1.72 0.00 0.00 179.24 177.82 3req s VAL 157 N -4.45 2.37 -0.49 -1.35 1.01 -0.80 -4.98 120.40 111.71 3req s VAL 157 Ca -0.04 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 3req s VAL 157 Cb 0.15 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.40 3req s VAL 157 CO 0.72 0.03 0.70 -0.76 0.00 0.00 0.00 175.10 175.78 3req s LEU 158 N 0.75 4.63 0.53 3.92 1.43 -1.26 -4.96 118.68 123.72 3req s LEU 158 Ca 0.69 -0.60 0.27 0.00 -1.03 0.00 0.00 54.13 53.46 3req s LEU 158 Cb -0.46 -2.62 1.40 0.00 0.03 0.00 0.00 46.19 44.55 3req s LEU 158 CO 0.35 -0.92 1.96 -0.07 0.23 0.00 0.00 176.35 177.89 3req h LEU 159 N 9.96 0.03 -0.29 1.79 3.38 -1.91 -2.39 115.31 125.88 3req h LEU 159 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3req h LEU 159 Cb 1.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3req h LEU 159 CO 0.97 0.01 -0.06 1.05 0.09 0.00 0.00 178.44 180.49 3req h GLU 160 N 0.03 0.56 -0.06 1.13 9.09 -1.93 -3.33 114.58 120.07 3req h GLU 160 Ca 0.32 -0.21 -0.23 0.00 0.05 0.00 0.00 59.36 59.29 3req h GLU 160 Cb 1.24 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 28.31 3req h GLU 160 CO -0.01 0.75 -0.90 0.52 0.05 0.00 0.00 179.01 179.42 3req h MET 161 N 0.32 0.61 -5.26 1.06 2.86 -1.82 -3.45 114.93 109.25 3req h MET 161 Ca 0.07 -0.59 -0.66 0.00 -2.06 0.00 0.00 59.70 56.47 3req h MET 161 Cb 0.54 0.15 -0.28 0.00 0.06 0.00 0.00 31.60 32.07 3req h MET 161 CO 0.03 1.20 -0.78 0.99 1.06 0.00 0.00 176.91 179.41 3req s THR 162 N -3.47 2.93 -0.33 2.22 2.01 -0.93 -5.02 115.64 113.05 3req s THR 162 Ca -0.08 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 3req s THR 162 Cb 0.08 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3req s THR 162 CO 0.89 0.52 0.90 -0.75 -0.69 0.00 0.00 174.62 175.49 3req s LYS 163 N 0.55 3.96 -0.18 4.92 2.47 -1.26 -4.67 119.74 125.52 3req s LYS 163 Ca -0.09 0.72 -0.09 0.00 -1.56 0.00 0.00 55.97 54.95 3req s LYS 163 Cb -0.16 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.42 3req s LYS 163 CO 0.04 -0.81 0.12 0.08 0.16 0.00 0.00 175.35 174.93 3req s VAL 164 N 3.28 5.29 -0.07 4.02 1.01 -1.24 -2.80 120.40 129.89 3req s VAL 164 Ca 0.37 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3req s VAL 164 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3req s VAL 164 CO 0.15 0.47 -0.08 -0.70 0.00 0.00 0.00 175.10 174.94 3req s GLU 165 N 0.14 1.29 0.20 2.72 2.12 -0.40 -1.86 118.70 122.89 3req s GLU 165 Ca 0.08 -0.23 0.07 0.00 0.36 0.00 0.00 54.97 55.25 3req s GLU 165 Cb -0.11 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 3req s GLU 165 CO -0.01 -0.11 0.09 0.14 -0.54 0.00 0.00 175.26 174.84 3req s VAL 166 N 1.11 4.12 0.20 3.70 -7.23 -1.19 -0.12 120.40 120.99 3req s VAL 166 Ca -0.07 -1.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.57 3req s VAL 166 Cb -0.14 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.70 3req s VAL 166 CO -0.01 -0.19 0.56 0.72 -0.31 0.00 0.00 175.10 175.87 3req s PHE 167 N -1.88 -0.18 -0.22 2.82 -0.71 -0.69 -4.22 117.98 112.89 3req s PHE 167 Ca 0.30 -0.16 -0.18 0.00 -1.04 0.00 0.00 56.93 55.85 3req s PHE 167 Cb -0.09 0.45 0.06 0.00 -1.21 0.00 0.00 43.02 42.23 3req s PHE 167 CO 0.22 -0.94 0.58 0.45 -1.34 0.00 0.00 175.22 174.18 3req s SER 168 N -2.86 -0.65 -0.05 1.98 0.15 -1.26 -0.49 113.70 110.51 3req s SER 168 Ca 0.08 1.20 0.21 0.00 0.70 0.00 0.00 55.95 58.14 3req s SER 168 Cb -0.02 1.17 -0.29 0.00 -1.71 0.00 0.00 66.02 65.18 3req s SER 168 CO -0.03 -0.21 0.43 0.54 1.20 0.00 0.00 173.24 175.18 3req n ARG 169 N 3.19 0.66 -0.09 5.44 1.74 -1.26 -4.61 116.66 121.73 3req n ARG 169 Ca -0.16 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.71 3req n ARG 169 Cb 0.56 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3req n ARG 169 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3req n TYR 170 N -2.44 0.23 -3.88 -1.55 4.01 -1.26 -4.83 117.16 107.45 3req n TYR 170 Ca -0.11 0.10 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 3req n TYR 170 Cb 0.72 -0.62 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 3req n TYR 170 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3req s ASP 171 N -6.05 3.07 0.00 7.72 -1.08 -1.26 -5.03 116.67 114.05 3req s ASP 171 Ca -0.27 -0.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.21 3req s ASP 171 Cb 0.05 -0.93 0.42 0.00 -1.46 0.00 0.00 42.92 41.00 3req s ASP 171 CO 0.39 -0.21 1.39 0.00 0.52 0.00 0.00 175.17 177.26 3req n GLN 172 N 4.85 1.98 0.11 4.34 6.02 -1.26 -4.23 117.38 129.19 3req n GLN 172 Ca -0.12 -1.52 0.06 0.00 -0.01 0.00 0.00 57.00 55.41 3req n GLN 172 Cb 0.47 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.27 3req n GLN 172 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3req h GLY 173 N 4.77 0.00 1.05 1.08 0.00 -1.97 -3.34 103.07 104.67 3req h GLY 173 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3req h GLY 173 CO 0.00 0.00 -1.14 0.00 0.00 0.00 0.00 176.54 175.40 3req h ALA 174 N 1.69 0.58 0.47 3.60 0.00 -1.98 -3.26 119.26 120.36 3req h ALA 174 Ca -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3req h ALA 174 Cb 1.28 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3req h ALA 174 CO 0.03 0.41 -0.22 0.00 0.00 0.00 0.00 179.25 179.47 3req h ALA 175 N 1.74 -0.63 0.00 0.00 0.00 -1.74 -2.52 119.26 116.11 3req h ALA 175 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3req h ALA 175 Cb 1.26 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3req h ALA 175 CO 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.53 3req n ALA 176 N -2.49 2.04 -0.01 0.00 0.00 -1.25 -1.55 120.51 117.24 3req n ALA 176 Ca -0.11 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.35 3req n ALA 176 Cb 0.30 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 18.23 3req n ALA 176 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3req n GLU 177 N -1.44 0.66 -0.00 0.00 4.07 -1.23 -3.52 120.64 119.17 3req n GLU 177 Ca 0.07 -0.19 -0.17 0.00 -0.06 0.00 0.00 57.16 56.81 3req n GLU 177 Cb 0.23 -1.52 -0.14 0.00 -0.06 0.00 0.00 31.44 29.95 3req n GLU 177 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3req n ALA 178 N -2.28 1.09 -0.08 4.31 0.00 -0.95 -3.62 120.51 118.99 3req n ALA 178 Ca -0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 3req n ALA 178 Cb 0.60 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 3req n ALA 178 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3req h LEU 179 N 0.05 0.67 -0.58 0.00 5.85 -1.44 -3.08 115.31 116.77 3req h LEU 179 Ca -0.38 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 57.85 3req h LEU 179 Cb 2.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 3req h LEU 179 CO 0.08 1.02 0.38 -0.37 -0.34 0.00 0.00 178.44 179.22 3req h VAL 180 N 0.32 1.15 -0.43 1.05 -1.51 -1.76 -3.03 116.25 112.04 3req h VAL 180 Ca 0.03 -0.27 0.05 0.00 -1.23 0.00 0.00 66.70 65.28 3req h VAL 180 Cb 0.85 0.30 -0.08 0.00 -2.13 0.00 0.00 31.29 30.23 3req h VAL 180 CO 0.07 0.14 -0.52 0.28 -1.23 0.00 0.00 177.57 176.31 3req h SER 181 N 0.78 -1.75 -0.53 4.19 0.02 -1.60 0.55 113.55 115.22 3req h SER 181 Ca 0.21 0.23 0.10 0.00 -0.84 0.00 0.00 61.79 61.49 3req h SER 181 Cb -0.09 0.72 -0.11 0.00 0.14 0.00 0.00 62.40 63.07 3req h SER 181 CO -0.05 -0.36 -0.34 0.58 -1.14 0.00 0.00 176.83 175.53 3req h VAL 182 N -0.33 0.18 -0.25 2.27 2.07 -1.57 0.18 116.25 118.79 3req h VAL 182 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3req h VAL 182 Cb 0.53 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3req h VAL 182 CO -0.58 0.00 0.16 1.88 0.02 0.00 0.00 177.57 179.04 3req h TYR 183 N -0.20 0.33 0.00 1.57 -1.99 -1.15 -1.90 116.97 113.64 3req h TYR 183 Ca 0.21 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 3req h TYR 183 Cb 0.55 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 3req h TYR 183 CO -0.61 0.24 -0.35 0.93 -0.00 0.00 0.00 178.16 178.37 3req h GLU 184 N 0.32 0.00 -0.53 4.88 5.08 0.55 -2.99 114.58 121.89 3req h GLU 184 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3req h GLU 184 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3req h GLU 184 CO -0.02 0.35 0.06 0.54 -1.00 0.00 0.00 179.01 178.95 3req n ARG 185 N -3.95 4.06 -2.69 2.33 1.74 0.58 -4.99 116.66 113.75 3req n ARG 185 Ca -0.02 -3.08 -0.21 0.00 -0.77 0.00 0.00 57.85 53.78 3req n ARG 185 Cb 0.41 -2.15 0.04 0.00 -1.02 0.00 0.00 32.46 29.74 3req n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3req s SER 186 N -1.18 5.26 -0.08 0.55 1.04 -0.72 -4.94 113.70 113.62 3req s SER 186 Ca 0.52 -0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 3req s SER 186 Cb 0.41 -0.77 -0.13 0.00 0.10 0.00 0.00 66.02 65.62 3req s SER 186 CO 0.13 -1.14 0.59 -2.24 0.98 0.00 0.00 173.24 171.56 3req h ASP 187 N 0.11 -0.12 -3.23 7.02 3.04 -1.89 -3.47 116.42 117.87 3req h ASP 187 Ca -0.41 -0.36 -0.51 0.00 -3.24 0.00 0.00 57.03 52.51 3req h ASP 187 Cb 1.29 0.03 0.22 0.00 -1.04 0.00 0.00 39.33 39.83 3req h ASP 187 CO 0.50 0.50 -0.61 2.29 -2.04 0.00 0.00 179.24 179.89 3req n LYS 188 N -4.84 -0.67 -0.99 4.15 2.85 -1.26 -4.90 118.16 112.49 3req n LYS 188 Ca -0.06 -0.16 -0.35 0.00 -1.05 0.00 0.00 58.31 56.69 3req n LYS 188 Cb 0.23 -1.87 0.08 0.00 -0.65 0.00 0.00 35.03 32.82 3req n LYS 188 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3req n PRO 189 N -2.09 -0.05 0.08 -1.58 -0.02 -1.26 -4.94 135.00 125.14 3req n PRO 189 Ca 0.06 0.02 -0.14 0.00 -2.02 0.00 0.00 63.50 61.41 3req n PRO 189 Cb 0.55 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 3req n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3req h ALA 190 N -1.03 0.28 0.00 3.55 0.00 -1.90 -3.34 119.26 116.82 3req h ALA 190 Ca -0.44 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3req h ALA 190 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3req h ALA 190 CO 0.34 0.86 -0.94 1.17 0.00 0.00 0.00 179.25 180.68 3req n LYS 191 N -3.68 0.32 0.13 0.00 0.00 -1.23 -3.83 118.16 109.87 3req n LYS 191 Ca -0.07 0.03 0.13 0.00 0.00 0.00 0.00 58.31 58.39 3req n LYS 191 Cb 0.89 -1.63 0.44 0.00 0.00 0.00 0.00 35.03 34.73 3req n LYS 191 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3req h ASP 192 N 0.00 0.00 -2.57 3.14 3.32 -1.89 -1.93 116.42 116.49 3req h ASP 192 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3req h ASP 192 Cb 0.76 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 3req h ASP 192 CO 0.00 0.00 -0.49 -0.76 -1.72 0.00 0.00 179.24 176.27 3req s LEU 193 N -4.73 4.19 0.01 1.55 2.01 -1.26 -4.66 118.68 115.78 3req s LEU 193 Ca 0.07 0.08 0.02 0.00 0.01 0.00 0.00 54.13 54.32 3req s LEU 193 Cb 0.10 -2.77 -0.01 0.00 0.01 0.00 0.00 46.19 43.53 3req s LEU 193 CO 0.52 0.05 -0.08 0.00 1.01 0.00 0.00 176.35 177.85 3req s ALA 194 N -1.76 0.65 0.27 4.21 0.00 -1.26 -2.31 121.76 121.56 3req s ALA 194 Ca 0.34 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 3req s ALA 194 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3req s ALA 194 CO 0.27 0.12 0.58 -0.48 0.00 0.00 0.00 175.76 176.26 3req s LEU 195 N -0.52 0.10 -0.05 0.00 2.34 -1.26 -3.64 118.68 115.66 3req s LEU 195 Ca 0.00 -0.82 0.02 0.00 0.06 0.00 0.00 54.13 53.39 3req s LEU 195 Cb -0.05 2.16 0.01 0.00 -0.56 0.00 0.00 46.19 47.76 3req s LEU 195 CO 0.00 -1.24 -0.09 0.20 -1.06 0.00 0.00 176.35 174.15 3req s ASN 196 N -2.99 1.40 -0.01 1.48 -0.87 -0.78 -1.39 114.94 111.78 3req s ASN 196 Ca 0.18 -0.22 -0.00 0.00 -1.57 0.00 0.00 52.86 51.24 3req s ASN 196 Cb -0.03 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.25 40.64 3req s ASN 196 CO 0.09 0.03 -0.01 -0.07 -2.57 0.00 0.00 177.10 174.56 3req h LEU 197 N 6.81 0.00 0.00 0.60 3.38 -1.44 -3.14 115.31 121.52 3req h LEU 197 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3req h LEU 197 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3req h LEU 197 CO 0.48 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.68 3req n GLY 198 N 1.85 1.28 3.76 0.83 0.00 -1.04 -4.20 105.19 107.67 3req n GLY 198 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3req n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3req s LEU 199 N 0.00 4.40 -0.41 0.99 2.01 -1.12 -4.45 118.68 120.09 3req s LEU 199 Ca 0.00 2.69 0.02 0.00 0.01 0.00 0.00 54.13 56.85 3req s LEU 199 Cb 0.00 -3.64 0.26 0.00 0.01 0.00 0.00 46.19 42.82 3req s LEU 199 CO 0.00 -0.65 1.07 -0.67 1.01 0.00 0.00 176.35 177.11 3req n ASP 200 N 1.67 -2.08 -0.26 2.29 2.03 -1.26 -1.21 116.55 117.73 3req n ASP 200 Ca 0.04 -2.51 0.15 0.00 0.52 0.00 0.00 54.79 52.99 3req n ASP 200 Cb 0.41 1.25 0.44 0.00 -0.72 0.00 0.00 41.12 42.50 3req n ASP 200 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3req h PRO 201 N 3.57 0.54 -0.24 -0.67 0.11 -1.91 0.89 132.00 134.29 3req h PRO 201 Ca -0.19 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.74 3req h PRO 201 Cb 1.12 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3req h PRO 201 CO 0.06 0.35 -0.47 0.82 -0.21 0.00 0.00 178.00 178.55 3req h ILE 202 N 0.55 1.30 -0.11 4.15 2.04 -1.96 -2.56 117.51 120.92 3req h ILE 202 Ca 0.46 -1.67 -0.21 0.00 1.00 0.00 0.00 64.86 64.44 3req h ILE 202 Cb 0.94 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3req h ILE 202 CO -0.20 0.53 -0.78 1.23 0.00 0.00 0.00 178.15 178.93 3req h GLY 203 N 1.01 0.70 0.65 5.37 0.00 -1.51 -2.11 103.07 107.17 3req h GLY 203 Ca 0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.35 3req h GLY 203 CO 0.09 0.89 -0.39 -2.75 0.00 0.00 0.00 176.54 174.38 3req h PHE 204 N 0.43 -1.05 -0.01 5.60 3.57 -0.87 -1.61 116.94 122.99 3req h PHE 204 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3req h PHE 204 Cb 1.38 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 40.53 3req h PHE 204 CO 0.07 -0.55 0.01 0.00 -2.23 0.00 0.00 178.31 175.61 3req h ALA 205 N -0.46 1.98 -0.07 2.41 0.00 -1.53 -1.51 119.26 120.08 3req h ALA 205 Ca -0.04 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3req h ALA 205 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3req h ALA 205 CO -0.04 -0.02 -0.76 0.00 0.00 0.00 0.00 179.25 178.44 3req h ALA 206 N 1.99 0.55 0.08 0.00 0.00 -1.10 0.16 119.26 120.95 3req h ALA 206 Ca 0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3req h ALA 206 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3req h ALA 206 CO -0.00 0.77 -0.04 -0.07 0.00 0.00 0.00 179.25 179.91 3req h LEU 207 N 0.28 -0.10 0.31 0.00 3.38 -0.84 -2.79 115.31 115.56 3req h LEU 207 Ca -0.04 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3req h LEU 207 Cb 1.35 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3req h LEU 207 CO 0.13 0.33 -0.15 1.56 0.09 0.00 0.00 178.44 180.40 3req h GLN 208 N -0.54 -0.41 0.00 1.13 1.08 -1.40 -2.81 115.11 112.17 3req h GLN 208 Ca -0.01 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3req h GLN 208 Cb 0.46 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3req h GLN 208 CO 0.02 -0.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.22 3req n GLY 209 N 0.23 0.41 0.00 3.46 0.00 0.53 -0.04 105.19 109.79 3req n GLY 209 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3req n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3req n THR 210 N 0.00 0.00 -3.93 2.61 -2.24 -0.94 -4.95 114.28 104.83 3req n THR 210 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3req n THR 210 Cb 0.00 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.25 3req n THR 210 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3req s GLU 211 N 0.00 1.66 0.04 -0.78 2.12 -1.26 -4.65 118.70 115.83 3req s GLU 211 Ca 0.00 -0.50 -0.38 0.00 0.36 0.00 0.00 54.97 54.45 3req s GLU 211 Cb 0.00 -1.97 -0.19 0.00 0.26 0.00 0.00 34.13 32.23 3req s GLU 211 CO 0.00 -0.36 1.04 -2.30 -0.54 0.00 0.00 175.26 173.09 3req n PRO 212 N 4.85 0.18 -3.91 4.30 -0.02 -1.26 -4.91 135.00 134.22 3req n PRO 212 Ca -0.13 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 3req n PRO 212 Cb 0.48 -1.52 -0.13 0.00 -0.02 0.00 0.00 33.50 32.32 3req n PRO 212 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3req s ASP 213 N -0.07 4.50 -0.64 2.55 -1.08 -1.26 -4.99 116.67 115.67 3req s ASP 213 Ca 0.86 -3.09 -0.02 0.00 -0.52 0.00 0.00 52.55 49.78 3req s ASP 213 Cb -1.17 -1.67 0.40 0.00 -1.46 0.00 0.00 42.92 39.02 3req s ASP 213 CO 0.56 -0.23 2.05 0.18 0.52 0.00 0.00 175.17 178.24 3req n LEU 214 N 3.02 7.52 -0.27 -1.34 4.32 -1.26 -4.20 117.00 124.78 3req n LEU 214 Ca 0.07 -4.20 0.06 0.00 -0.02 0.00 0.00 56.01 51.92 3req n LEU 214 Cb 0.33 -1.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.12 3req n LEU 214 CO 0.33 1.47 0.22 0.35 -1.22 0.00 0.00 177.39 178.54 3req n THR 215 N -0.68 0.00 0.07 -5.08 -2.24 -1.26 -4.45 114.28 100.63 3req n THR 215 Ca 0.58 -0.36 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 3req n THR 215 Cb 0.61 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 3req n THR 215 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3req h VAL 216 N 1.35 0.24 -0.40 2.28 3.04 -2.04 -3.39 116.25 117.33 3req h VAL 216 Ca 0.00 -1.48 0.07 0.00 -1.01 0.00 0.00 66.70 64.28 3req h VAL 216 Cb 0.43 1.76 -0.07 0.00 -2.01 0.00 0.00 31.29 31.40 3req h VAL 216 CO 0.00 0.14 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.62 3req h LEU 217 N 0.00 -0.19 -0.08 3.16 3.38 -1.88 -3.18 115.31 116.52 3req h LEU 217 Ca -0.08 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3req h LEU 217 Cb 1.28 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3req h LEU 217 CO 0.02 -0.06 -0.19 1.23 0.09 0.00 0.00 178.44 179.54 3req h GLY 218 N 0.09 -1.49 0.23 0.83 0.00 -1.88 -3.07 103.07 97.79 3req h GLY 218 Ca 0.19 0.72 0.21 0.00 0.00 0.00 0.00 47.33 48.45 3req h GLY 218 CO -0.34 -0.49 0.61 -0.55 0.00 0.00 0.00 176.54 175.78 3req h ASP 219 N -0.18 0.48 -0.16 0.19 5.19 -1.83 -0.73 116.42 119.38 3req h ASP 219 Ca 0.02 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3req h ASP 219 Cb 0.22 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3req h ASP 219 CO -0.17 0.18 0.03 -0.50 -3.12 0.00 0.00 179.24 175.66 3req h TRP 220 N 0.47 0.28 -0.22 4.55 -0.00 -1.52 0.19 115.95 119.70 3req h TRP 220 Ca 0.50 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.89 59.28 3req h TRP 220 Cb 1.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.23 3req h TRP 220 CO -0.00 0.43 -0.19 0.28 -0.00 0.00 0.00 178.44 178.96 3req h VAL 221 N 0.06 1.24 0.00 1.49 2.07 -1.42 -0.31 116.25 119.37 3req h VAL 221 Ca 0.05 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3req h VAL 221 Cb 0.30 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3req h VAL 221 CO 0.00 0.34 0.00 -0.09 0.02 0.00 0.00 177.57 177.84 3req h ARG 222 N 0.36 0.00 0.19 1.57 2.43 -1.09 -3.21 114.38 114.63 3req h ARG 222 Ca 0.06 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.88 3req h ARG 222 Cb 0.54 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3req h ARG 222 CO 0.04 0.00 -1.74 -0.09 -1.51 0.00 0.00 179.97 176.67 3req h ARG 223 N 0.00 0.40 -1.07 0.20 9.65 -0.06 -3.39 114.38 120.11 3req h ARG 223 Ca 0.00 -0.69 -0.68 0.00 -1.10 0.00 0.00 59.98 57.51 3req h ARG 223 Cb 0.85 0.26 -0.30 0.00 -1.39 0.00 0.00 29.97 29.39 3req h ARG 223 CO 0.00 1.33 0.79 -0.11 2.80 0.00 0.00 179.97 184.78 3req n LEU 224 N -3.60 7.53 -0.05 3.80 7.94 -0.18 -4.45 117.00 128.00 3req n LEU 224 Ca -0.24 -4.37 0.07 0.00 -1.11 0.00 0.00 56.01 50.36 3req n LEU 224 Cb 1.08 -0.95 0.10 0.00 0.53 0.00 0.00 43.42 44.18 3req n LEU 224 CO 0.52 1.53 0.55 0.00 -1.11 0.00 0.00 177.39 178.88 3req n ALA 225 N -0.87 2.18 -0.03 1.96 0.00 -1.21 -4.39 120.51 118.15 3req n ALA 225 Ca 0.61 -2.16 0.04 0.00 0.00 0.00 0.00 53.44 51.93 3req n ALA 225 Cb 0.64 -0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 3req n ALA 225 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3req n LYS 226 N -1.17 0.66 -0.26 0.00 2.85 -1.26 -4.93 118.16 114.05 3req n LYS 226 Ca 0.11 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3req n LYS 226 Cb 0.53 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 3req n LYS 226 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3req n PHE 227 N -2.48 -3.09 -0.79 5.58 3.72 -1.25 -3.58 117.46 115.57 3req n PHE 227 Ca -0.13 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.97 3req n PHE 227 Cb 0.76 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.40 3req n PHE 227 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3req n SER 228 N -2.52 -2.68 0.08 4.37 3.41 -0.73 -4.81 113.62 110.75 3req n SER 228 Ca 0.00 -0.11 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 3req n SER 228 Cb 0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 3req n SER 228 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3req h PRO 229 N -1.73 0.00 0.00 4.33 0.13 -1.91 -3.22 132.00 129.60 3req h PRO 229 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3req h PRO 229 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3req h PRO 229 CO 0.26 0.87 -0.41 -0.25 -0.23 0.00 0.00 178.00 178.23 3req n ASP 230 N -3.33 0.54 -4.57 1.44 8.00 -1.26 -4.86 116.55 112.52 3req n ASP 230 Ca 0.00 0.12 -0.46 0.00 0.71 0.00 0.00 54.79 55.17 3req n ASP 230 Cb 0.88 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.91 3req n ASP 230 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3req n SER 231 N -1.85 3.06 -4.87 -2.24 7.64 -1.22 -4.86 113.62 109.28 3req n SER 231 Ca 0.05 0.42 -0.37 0.00 1.01 0.00 0.00 58.87 59.98 3req n SER 231 Cb 0.39 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 3req n SER 231 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3req s ARG 232 N 5.86 3.48 -0.23 1.43 1.81 -0.49 -4.90 118.95 125.91 3req s ARG 232 Ca 1.01 -0.12 -0.02 0.00 -1.72 0.00 0.00 55.73 54.88 3req s ARG 232 Cb -0.53 -3.20 -0.14 0.00 -0.45 0.00 0.00 34.95 30.63 3req s ARG 232 CO 0.42 0.76 -0.22 0.00 -0.68 0.00 0.00 175.30 175.58 3req n ALA 233 N 2.03 1.51 -2.61 2.13 0.00 -0.75 -1.68 120.51 121.14 3req n ALA 233 Ca -0.20 -0.95 -0.38 0.00 0.00 0.00 0.00 53.44 51.91 3req n ALA 233 Cb 0.55 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 3req n ALA 233 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3req s VAL 234 N -2.44 5.06 -0.31 0.00 1.01 -0.06 -2.50 120.40 121.15 3req s VAL 234 Ca -0.31 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 3req s VAL 234 Cb 0.09 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.71 3req s VAL 234 CO 0.49 0.39 0.09 -0.89 0.00 0.00 0.00 175.10 175.18 3req s THR 235 N 0.11 1.04 -0.51 3.92 2.01 -0.35 -1.07 115.64 120.79 3req s THR 235 Ca 0.28 -1.50 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 3req s THR 235 Cb -0.17 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.58 3req s THR 235 CO 0.14 -0.66 1.42 -0.63 -0.69 0.00 0.00 174.62 174.19 3req s ILE 236 N 1.54 3.83 -0.60 1.82 1.01 -0.80 -4.43 121.20 123.57 3req s ILE 236 Ca 0.10 0.76 -0.25 0.00 0.00 0.00 0.00 60.65 61.26 3req s ILE 236 Cb -0.17 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 37.99 3req s ILE 236 CO -0.23 -1.01 1.05 -0.62 0.00 0.00 0.00 174.94 174.14 3req s ASP 237 N 4.30 6.33 0.28 3.58 -1.08 -1.26 -1.41 116.67 127.41 3req s ASP 237 Ca 0.56 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.50 3req s ASP 237 Cb -0.12 -2.48 0.20 0.00 -1.46 0.00 0.00 42.92 39.06 3req s ASP 237 CO 0.28 -1.40 1.32 0.00 0.52 0.00 0.00 175.17 175.89 3req h ALA 238 N 9.49 0.72 -0.64 3.66 0.00 -1.67 -3.34 119.26 127.48 3req h ALA 238 Ca -0.26 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3req h ALA 238 Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3req h ALA 238 CO 1.15 0.00 0.31 -0.97 0.00 0.00 0.00 179.25 179.74 3req h ASN 239 N 0.00 0.41 -0.26 0.00 -0.00 -1.88 -3.20 115.58 110.65 3req h ASN 239 Ca 0.00 0.05 0.02 0.00 -0.00 0.00 0.00 56.30 56.37 3req h ASN 239 Cb 0.96 -0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 39.23 3req h ASN 239 CO 0.00 0.26 -0.15 -0.38 -0.00 0.00 0.00 177.43 177.16 3req n ILE 240 N -4.88 -0.18 -0.24 2.57 5.41 -1.25 0.22 119.36 121.02 3req n ILE 240 Ca 0.08 1.11 0.08 0.00 1.00 0.00 0.00 62.75 65.02 3req n ILE 240 Cb 0.22 -1.42 0.34 0.00 -0.71 0.00 0.00 39.64 38.07 3req n ILE 240 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3req h TYR 241 N 0.00 0.84 0.33 1.39 0.05 -1.83 -2.49 116.97 115.25 3req h TYR 241 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3req h TYR 241 Cb 0.11 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3req h TYR 241 CO -0.57 0.40 -0.42 1.25 -1.05 0.00 0.00 178.16 177.77 3req h HIS 242 N 0.79 -1.16 -1.01 4.88 2.76 -0.24 0.03 115.15 121.20 3req h HIS 242 Ca 0.38 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.62 3req h HIS 242 Cb 0.41 0.47 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 3req h HIS 242 CO -0.00 -0.56 0.65 -0.91 -1.30 0.00 0.00 177.93 175.81 3req h ASN 243 N -0.79 1.06 0.00 3.26 2.35 -1.04 -2.44 115.58 117.98 3req h ASN 243 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3req h ASN 243 Cb 0.74 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3req h ASN 243 CO -0.12 0.69 0.00 0.00 -1.65 0.00 0.00 177.43 176.35 3req n ALA 244 N -2.37 -0.11 0.00 -0.83 0.00 -0.97 -2.97 120.51 113.26 3req n ALA 244 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3req n ALA 244 Cb 0.16 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3req n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 245 N -0.92 0.00 3.77 0.00 0.00 -0.92 -4.13 105.19 102.99 3req n GLY 245 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3req n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req s ALA 246 N 0.00 3.48 0.98 4.61 0.00 -0.02 -4.50 121.76 126.32 3req s ALA 246 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3req s ALA 246 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3req s ALA 246 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3req n GLY 247 N 0.96 -0.32 0.13 0.00 0.00 -1.26 -4.38 105.19 100.31 3req n GLY 247 Ca 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 3req n GLY 247 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3req h ASP 248 N 0.00 0.39 0.74 1.61 3.32 -1.99 0.23 116.42 120.72 3req h ASP 248 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.32 3req h ASP 248 Cb 0.00 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.44 3req h ASP 248 CO 0.00 1.03 -0.36 0.58 -1.72 0.00 0.00 179.24 178.77 3req h VAL 249 N -0.21 0.16 -0.59 -1.35 2.07 -1.94 -2.43 116.25 111.96 3req h VAL 249 Ca -0.03 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3req h VAL 249 Cb 1.05 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 3req h VAL 249 CO 0.07 0.01 0.16 0.00 0.02 0.00 0.00 177.57 177.84 3req h ALA 250 N -1.00 0.72 -0.53 1.67 0.00 -1.92 0.13 119.26 118.33 3req h ALA 250 Ca -0.10 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3req h ALA 250 Cb 0.78 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3req h ALA 250 CO 0.17 -0.27 0.01 1.49 0.00 0.00 0.00 179.25 180.65 3req h GLU 251 N 0.30 0.93 -0.54 0.00 4.81 -0.56 -3.15 114.58 116.37 3req h GLU 251 Ca 0.30 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3req h GLU 251 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3req h GLU 251 CO -0.36 0.94 -0.11 1.25 -0.73 0.00 0.00 179.01 180.00 3req h LEU 252 N 0.80 1.03 -0.49 1.64 5.85 -1.25 -3.04 115.31 119.86 3req h LEU 252 Ca 0.15 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3req h LEU 252 Cb 0.52 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3req h LEU 252 CO 0.03 1.14 0.17 0.00 -0.34 0.00 0.00 178.44 179.43 3req h ALA 253 N 0.95 0.64 0.00 1.25 0.00 -1.01 -3.03 119.26 118.06 3req h ALA 253 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3req h ALA 253 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3req h ALA 253 CO 0.05 0.28 0.00 -1.49 0.00 0.00 0.00 179.25 178.09 3req h TRP 254 N 0.66 0.00 -0.06 0.00 6.55 -1.58 -1.38 115.95 120.14 3req h TRP 254 Ca 0.16 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 3req h TRP 254 Cb 0.25 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3req h TRP 254 CO 0.01 0.00 -0.03 0.00 -1.05 0.00 0.00 178.44 177.37 3req h ALA 255 N 2.25 0.08 -0.02 1.49 0.00 -1.42 0.34 119.26 121.98 3req h ALA 255 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3req h ALA 255 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3req h ALA 255 CO 0.00 -0.17 -0.15 -0.07 0.00 0.00 0.00 179.25 178.86 3req h LEU 256 N -0.27 -0.44 -0.16 0.00 3.38 -1.42 0.18 115.31 116.58 3req h LEU 256 Ca 0.01 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3req h LEU 256 Cb 0.48 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3req h LEU 256 CO 0.01 -0.21 -0.42 0.00 0.09 0.00 0.00 178.44 177.92 3req h ALA 257 N 0.72 -0.75 0.14 1.53 0.00 -1.21 -2.35 119.26 117.33 3req h ALA 257 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3req h ALA 257 Cb 0.31 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3req h ALA 257 CO -0.16 -0.91 -0.43 1.15 0.00 0.00 0.00 179.25 178.90 3req h THR 258 N -0.40 0.14 0.00 0.00 2.02 -0.11 -3.23 112.91 111.34 3req h THR 258 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3req h THR 258 Cb 0.50 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3req h THR 258 CO -0.37 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.13 3req n GLY 259 N -1.47 -1.30 0.03 2.16 0.00 0.62 -1.79 105.19 103.45 3req n GLY 259 Ca -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3req n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req n ALA 260 N -1.93 -0.05 -0.33 4.61 0.00 -0.92 -2.13 120.51 119.75 3req n ALA 260 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3req n ALA 260 Cb 0.00 0.11 0.34 0.00 0.00 0.00 0.00 19.45 19.90 3req n ALA 260 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3req h GLU 261 N 0.00 0.74 0.10 0.00 4.39 -1.43 0.44 114.58 118.83 3req h GLU 261 Ca 0.01 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 3req h GLU 261 Cb 0.03 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3req h GLU 261 CO -0.08 0.49 -1.19 1.88 -1.16 0.00 0.00 179.01 178.96 3req h TYR 262 N 0.77 0.44 0.07 4.33 0.05 -1.38 -0.76 116.97 120.50 3req h TYR 262 Ca 0.52 -0.31 0.01 0.00 0.05 0.00 0.00 58.73 58.99 3req h TYR 262 Cb 0.80 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 3req h TYR 262 CO -0.00 1.23 -0.26 0.28 -1.05 0.00 0.00 178.16 178.36 3req h VAL 263 N 0.08 0.00 -0.19 -2.88 2.07 -0.72 0.32 116.25 114.92 3req h VAL 263 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3req h VAL 263 Cb 1.91 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3req h VAL 263 CO 0.19 0.00 -0.13 -0.09 0.02 0.00 0.00 177.57 177.57 3req h ARG 264 N -0.38 -0.02 -0.87 1.57 2.43 -1.05 -2.44 114.38 113.62 3req h ARG 264 Ca -0.01 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 3req h ARG 264 Cb 0.37 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.78 3req h ARG 264 CO -0.13 -0.01 -0.39 0.00 -1.51 0.00 0.00 179.97 177.93 3req h ALA 265 N -0.75 0.05 0.00 2.80 0.00 -0.82 -2.07 119.26 118.47 3req h ALA 265 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3req h ALA 265 Cb 0.10 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3req h ALA 265 CO -0.19 -0.66 0.00 1.28 0.00 0.00 0.00 179.25 179.68 3req n LEU 266 N -5.45 0.60 0.06 0.00 4.77 0.11 -2.40 117.00 114.70 3req n LEU 266 Ca 0.08 0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 56.51 3req n LEU 266 Cb 0.38 -0.60 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3req n LEU 266 CO -0.09 -0.59 0.03 0.58 -1.33 0.00 0.00 177.39 175.98 3req h VAL 267 N 0.00 1.30 -0.19 4.08 2.07 -1.05 -2.22 116.25 120.23 3req h VAL 267 Ca 0.00 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.13 3req h VAL 267 Cb 0.31 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3req h VAL 267 CO 0.00 0.71 -0.14 -0.33 0.02 0.00 0.00 177.57 177.83 3req h GLU 268 N 0.27 0.31 -0.96 1.57 5.08 -1.32 -3.24 114.58 116.29 3req h GLU 268 Ca -0.15 -0.08 -0.64 0.00 -1.00 0.00 0.00 59.36 57.49 3req h GLU 268 Cb 1.76 -0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.67 3req h GLU 268 CO 0.21 0.45 0.67 1.04 -1.00 0.00 0.00 179.01 180.38 3req n GLN 269 N -4.24 2.72 0.00 2.33 6.02 -1.02 -4.95 117.38 118.23 3req n GLN 269 Ca -0.00 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.64 3req n GLN 269 Cb 0.29 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.28 3req n GLN 269 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3req n GLY 270 N -0.93 2.37 2.93 1.08 0.00 -1.22 -4.82 105.19 104.59 3req n GLY 270 Ca 0.60 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3req n GLY 270 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3req n PHE 271 N 0.00 -3.67 -4.54 1.61 3.72 -0.84 -4.93 117.46 108.81 3req n PHE 271 Ca 0.00 -0.77 -0.24 0.00 -0.05 0.00 0.00 57.45 56.39 3req n PHE 271 Cb 0.00 -1.11 -0.05 0.00 -0.94 0.00 0.00 39.48 37.38 3req n PHE 271 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3req n THR 272 N -5.37 0.00 0.32 4.37 -2.24 -1.26 -4.13 114.28 105.98 3req n THR 272 Ca 0.13 -1.84 -0.17 0.00 -2.27 0.00 0.00 64.05 59.90 3req n THR 272 Cb 0.54 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 3req n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3req h ALA 273 N 1.27 -0.79 -0.49 6.98 0.00 -1.93 -2.94 119.26 121.37 3req h ALA 273 Ca -0.31 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.47 3req h ALA 273 Cb 0.97 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3req h ALA 273 CO 0.50 -0.92 -0.43 1.15 0.00 0.00 0.00 179.25 179.56 3req h THR 274 N -0.85 0.00 -0.94 0.00 2.02 -1.93 -1.93 112.91 109.29 3req h THR 274 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 3req h THR 274 Cb 0.63 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.89 3req h THR 274 CO 0.13 0.00 -0.37 -0.62 0.37 0.00 0.00 175.52 175.04 3req n GLU 275 N -4.68 -0.22 -0.28 6.66 1.02 -1.23 -2.22 120.64 119.68 3req n GLU 275 Ca -0.01 1.45 -0.10 0.00 -0.02 0.00 0.00 57.16 58.48 3req n GLU 275 Cb 0.23 -2.15 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 3req n GLU 275 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3req h ALA 276 N 1.30 -0.54 0.00 0.62 0.00 -1.15 -2.61 119.26 116.87 3req h ALA 276 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3req h ALA 276 Cb 0.56 1.24 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3req h ALA 276 CO -0.93 -0.85 0.00 1.19 0.00 0.00 0.00 179.25 178.65 3req n PHE 277 N -4.91 0.00 -0.39 0.00 3.01 -0.94 -2.94 117.46 111.29 3req n PHE 277 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 3req n PHE 277 Cb 0.24 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 39.71 3req n PHE 277 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3req n ASP 278 N -1.05 2.10 0.00 4.37 8.00 -1.01 -4.55 116.55 124.41 3req n ASP 278 Ca 0.14 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.26 3req n ASP 278 Cb 0.08 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3req n ASP 278 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3req n THR 279 N -0.82 0.00 -3.14 -3.53 5.66 -1.06 -4.81 114.28 106.57 3req n THR 279 Ca 0.06 -0.04 -0.43 0.00 -3.05 0.00 0.00 64.05 60.58 3req n THR 279 Cb 0.39 0.52 -0.06 0.00 -1.55 0.00 0.00 70.33 69.63 3req n THR 279 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3req s ILE 280 N -1.85 4.86 0.21 1.09 1.01 -1.16 -0.88 121.20 124.47 3req s ILE 280 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3req s ILE 280 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3req s ILE 280 CO 0.00 -0.74 0.32 0.20 0.00 0.00 0.00 174.94 174.72 3req s ASN 281 N 2.45 6.26 -0.03 3.58 -0.87 -0.23 -4.70 114.94 121.41 3req s ASN 281 Ca 0.17 0.08 0.06 0.00 -1.57 0.00 0.00 52.86 51.61 3req s ASN 281 Cb -0.17 -1.84 -0.01 0.00 -0.02 0.00 0.00 41.25 39.20 3req s ASN 281 CO 0.14 -0.02 -0.22 -0.36 -2.57 0.00 0.00 177.10 174.07 3req s PHE 282 N -1.90 1.98 -0.21 2.20 0.40 -0.51 -1.90 117.98 118.03 3req s PHE 282 Ca 0.34 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.20 3req s PHE 282 Cb -0.10 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 3req s PHE 282 CO 0.28 -0.07 -0.04 0.50 0.70 0.00 0.00 175.22 176.60 3req s ARG 283 N -0.40 3.42 0.26 0.44 3.52 -0.50 -0.61 118.95 125.08 3req s ARG 283 Ca 0.05 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3req s ARG 283 Cb -0.09 -3.02 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 3req s ARG 283 CO 0.00 -0.15 -0.01 0.14 -0.81 0.00 0.00 175.30 174.47 3req s VAL 284 N 1.37 1.24 0.16 7.11 -7.23 -1.01 -1.61 120.40 120.43 3req s VAL 284 Ca 0.04 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 3req s VAL 284 Cb -0.14 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 3req s VAL 284 CO -0.02 -0.26 0.43 -0.89 -0.31 0.00 0.00 175.10 174.05 3req s THR 285 N -3.28 5.09 -0.28 5.32 2.01 -1.26 -1.24 115.64 122.01 3req s THR 285 Ca 0.30 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.54 3req s THR 285 Cb 0.06 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 69.01 3req s THR 285 CO 0.11 0.03 -0.06 0.00 -0.69 0.00 0.00 174.62 174.01 3req s ALA 286 N -1.67 2.62 0.61 7.40 0.00 -0.48 -4.83 121.76 125.41 3req s ALA 286 Ca 0.42 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3req s ALA 286 Cb -0.12 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.33 3req s ALA 286 CO 0.23 -1.34 0.12 0.25 0.00 0.00 0.00 175.76 175.02 3req n THR 287 N 4.40 0.00 0.91 0.00 -2.24 -1.26 -1.55 114.28 114.53 3req n THR 287 Ca -0.09 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 3req n THR 287 Cb 0.42 -1.53 0.31 0.00 -2.10 0.00 0.00 70.33 67.43 3req n THR 287 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3req n HIS 288 N -1.76 0.12 -2.89 4.78 1.44 -1.26 -4.09 115.22 111.57 3req n HIS 288 Ca 0.02 0.04 -0.43 0.00 -2.01 0.00 0.00 57.72 55.33 3req n HIS 288 Cb 0.06 -0.39 -0.04 0.00 0.12 0.00 0.00 29.99 29.75 3req n HIS 288 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3req s ASP 289 N -3.26 6.28 0.13 4.39 -1.08 -1.26 -4.90 116.67 116.97 3req s ASP 289 Ca 0.11 -1.28 -0.32 0.00 -0.52 0.00 0.00 52.55 50.54 3req s ASP 289 Cb 0.17 -2.40 -0.09 0.00 -1.46 0.00 0.00 42.92 39.13 3req s ASP 289 CO 0.67 -1.33 1.56 -0.61 0.52 0.00 0.00 175.17 175.99 3req h GLN 290 N 9.37 -0.51 0.00 4.34 4.15 -1.88 -0.01 115.11 130.57 3req h GLN 290 Ca -0.18 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3req h GLN 290 Cb 1.06 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3req h GLN 290 CO 1.16 -0.34 -0.05 1.19 -1.93 0.00 0.00 178.83 178.86 3req n PHE 291 N -5.43 0.86 -0.02 3.99 3.72 -1.26 -0.90 117.46 118.41 3req n PHE 291 Ca -0.05 0.25 -0.17 0.00 -0.05 0.00 0.00 57.45 57.43 3req n PHE 291 Cb 0.37 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 37.93 3req n PHE 291 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3req h LEU 292 N 0.00 0.81 0.53 4.37 3.38 -1.91 -2.41 115.31 120.07 3req h LEU 292 Ca 0.00 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 3req h LEU 292 Cb 0.73 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3req h LEU 292 CO 0.00 1.32 -0.25 0.74 0.09 0.00 0.00 178.44 180.34 3req h THR 293 N 0.35 0.47 -0.18 0.22 2.02 -0.74 -2.44 112.91 112.61 3req h THR 293 Ca -0.05 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3req h THR 293 Cb 1.31 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 3req h THR 293 CO 0.14 0.02 -0.54 0.40 0.37 0.00 0.00 175.52 175.91 3req h ILE 294 N -0.79 0.01 -0.71 3.11 2.04 -1.01 -2.28 117.51 117.88 3req h ILE 294 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3req h ILE 294 Cb 0.58 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 3req h ILE 294 CO 0.12 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.59 3req h ALA 295 N -0.21 0.99 0.03 1.87 0.00 -1.47 -1.90 119.26 118.57 3req h ALA 295 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3req h ALA 295 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3req h ALA 295 CO -0.46 -0.11 -0.02 -0.09 0.00 0.00 0.00 179.25 178.57 3req h ARG 296 N 0.53 -0.04 -0.15 0.00 2.43 -1.24 0.15 114.38 116.07 3req h ARG 296 Ca 0.37 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3req h ARG 296 Cb 0.45 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3req h ARG 296 CO -0.32 0.02 -0.26 -0.07 -1.51 0.00 0.00 179.97 177.84 3req h LEU 297 N -0.10 -0.80 0.33 3.80 3.38 -0.92 -1.98 115.31 119.02 3req h LEU 297 Ca -0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3req h LEU 297 Cb 0.08 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3req h LEU 297 CO 0.01 -0.30 -0.44 0.03 0.09 0.00 0.00 178.44 177.82 3req h ARG 298 N -0.32 -0.78 -0.77 1.13 3.08 -1.18 -3.21 114.38 112.33 3req h ARG 298 Ca 0.11 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.33 3req h ARG 298 Cb 0.48 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.57 3req h ARG 298 CO -0.33 -0.52 -0.39 0.00 -1.07 0.00 0.00 179.97 177.66 3req h ALA 299 N -0.47 -0.04 -0.58 0.04 0.00 -0.11 -3.18 119.26 114.91 3req h ALA 299 Ca -0.02 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3req h ALA 299 Cb 0.75 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 3req h ALA 299 CO -0.13 -0.70 -0.35 1.25 0.00 0.00 0.00 179.25 179.32 3req h LEU 300 N -0.10 -1.28 -0.46 0.00 6.46 -1.38 -1.19 115.31 117.36 3req h LEU 300 Ca 0.26 0.19 0.09 0.00 -0.12 0.00 0.00 57.88 58.31 3req h LEU 300 Cb 0.56 0.56 -0.10 0.00 -0.73 0.00 0.00 40.66 40.96 3req h LEU 300 CO -0.82 -0.14 -0.23 0.03 -0.62 0.00 0.00 178.44 176.67 3req h ARG 301 N -0.01 -0.13 -0.90 1.25 3.08 -1.72 -1.94 114.38 114.02 3req h ARG 301 Ca 0.09 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.23 3req h ARG 301 Cb 0.24 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.21 3req h ARG 301 CO -0.55 -0.08 -0.55 1.49 -1.07 0.00 0.00 179.97 179.20 3req h GLU 302 N -0.13 -0.03 0.00 0.04 4.81 -1.20 -1.32 114.58 116.75 3req h GLU 302 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3req h GLU 302 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3req h GLU 302 CO -0.55 -0.02 0.00 0.00 -0.73 0.00 0.00 179.01 177.72 3req n ALA 303 N -3.22 2.40 0.05 2.92 0.00 -1.13 -2.75 120.51 118.78 3req n ALA 303 Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3req n ALA 303 Cb 0.25 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 3req n ALA 303 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3req n TRP 304 N -1.16 0.82 0.08 0.00 -0.00 -0.65 -3.84 117.44 112.69 3req n TRP 304 Ca 0.16 0.26 -0.13 0.00 -0.00 0.00 0.00 57.50 57.79 3req n TRP 304 Cb 0.16 -0.97 -0.08 0.00 -0.00 0.00 0.00 31.31 30.41 3req n TRP 304 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3req h ALA 305 N 1.68 -0.20 -0.40 5.87 0.00 -1.09 -3.09 119.26 122.03 3req h ALA 305 Ca -0.11 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.70 3req h ALA 305 Cb 1.34 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 3req h ALA 305 CO 0.02 -0.45 0.02 -0.09 0.00 0.00 0.00 179.25 178.75 3req h ARG 306 N -0.53 0.12 -0.63 0.00 9.65 -1.70 -1.24 114.38 120.05 3req h ARG 306 Ca -0.02 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3req h ARG 306 Cb 0.41 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3req h ARG 306 CO 0.03 0.08 0.42 0.82 2.80 0.00 0.00 179.97 184.13 3req h ILE 307 N 0.13 1.16 0.32 1.20 2.04 -1.66 -1.81 117.51 118.89 3req h ILE 307 Ca 0.20 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3req h ILE 307 Cb 0.27 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3req h ILE 307 CO -0.31 0.16 -0.42 1.23 0.00 0.00 0.00 178.15 178.81 3req h GLY 308 N 0.86 -0.95 -0.09 5.37 0.00 -1.18 -1.06 103.07 106.03 3req h GLY 308 Ca 0.23 0.49 0.01 0.00 0.00 0.00 0.00 47.33 48.06 3req h GLY 308 CO -0.05 -0.31 -0.05 -2.21 0.00 0.00 0.00 176.54 173.92 3req n GLU 309 N -5.49 -0.04 -0.10 4.80 2.13 -0.60 -0.24 120.64 121.10 3req n GLU 309 Ca -0.10 0.97 -0.07 0.00 0.66 0.00 0.00 57.16 58.63 3req n GLU 309 Cb 0.40 -1.45 -0.00 0.00 0.27 0.00 0.00 31.44 30.65 3req n GLU 309 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3req h VAL 310 N 0.00 0.35 -0.37 6.31 2.07 -1.33 -2.85 116.25 120.42 3req h VAL 310 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 3req h VAL 310 Cb 0.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3req h VAL 310 CO -0.08 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.21 3req h PHE 311 N -0.20 0.76 0.00 1.57 0.04 -0.87 -3.48 116.94 114.75 3req h PHE 311 Ca 0.18 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3req h PHE 311 Cb 0.48 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3req h PHE 311 CO -0.46 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 3req n GLY 312 N -0.28 0.76 3.61 -1.45 0.00 0.67 -4.84 105.19 103.66 3req n GLY 312 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 3req n GLY 312 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3req n VAL 313 N 0.00 0.19 -1.65 1.61 0.31 -1.07 -4.78 118.33 112.94 3req n VAL 313 Ca 0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 3req n VAL 313 Cb 0.00 -0.99 0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3req n VAL 313 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3req n ASP 314 N 2.59 1.63 0.32 4.52 8.00 -1.26 -4.53 116.55 127.82 3req n ASP 314 Ca 0.17 0.98 0.20 0.00 0.71 0.00 0.00 54.79 56.85 3req n ASP 314 Cb 0.22 -1.43 1.08 0.00 -0.02 0.00 0.00 41.12 40.98 3req n ASP 314 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3req h GLU 315 N 1.37 0.00 0.10 -1.24 5.08 -1.97 -2.10 114.58 115.82 3req h GLU 315 Ca -0.47 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.61 3req h GLU 315 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3req h GLU 315 CO 0.56 0.01 -1.30 0.38 -1.00 0.00 0.00 179.01 177.65 3req h ASP 316 N 0.00 0.33 -0.06 1.42 3.04 -1.91 -3.37 116.42 115.87 3req h ASP 316 Ca -0.00 -0.38 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3req h ASP 316 Cb 0.05 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 3req h ASP 316 CO 0.00 1.31 0.00 0.29 -2.04 0.00 0.00 179.24 178.80 3req n LYS 317 N -3.46 1.36 -0.46 4.15 4.76 -0.79 -4.49 118.16 119.22 3req n LYS 317 Ca -0.10 -0.53 0.09 0.00 -2.87 0.00 0.00 58.31 54.90 3req n LYS 317 Cb 1.02 -1.39 0.31 0.00 -1.84 0.00 0.00 35.03 33.12 3req n LYS 317 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3req n ARG 318 N -0.28 3.06 -2.98 1.97 1.74 -1.21 -4.74 116.66 114.22 3req n ARG 318 Ca 0.17 -2.45 -0.40 0.00 -0.77 0.00 0.00 57.85 54.40 3req n ARG 318 Cb 0.21 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 3req n ARG 318 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3req s GLY 319 N -0.90 2.68 0.09 -0.13 0.00 -1.26 -3.87 107.32 103.92 3req s GLY 319 Ca 0.45 0.21 -0.31 0.00 0.00 0.00 0.00 44.72 45.07 3req s GLY 319 CO 0.25 1.28 1.62 0.00 0.00 0.00 0.00 173.10 176.25 3req s ALA 320 N 0.84 3.70 -0.59 3.20 0.00 -1.26 -4.97 121.76 122.68 3req s ALA 320 Ca 0.40 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 3req s ALA 320 Cb -0.18 -3.67 0.14 0.00 0.00 0.00 0.00 23.12 19.40 3req s ALA 320 CO 0.20 -1.02 0.56 1.03 0.00 0.00 0.00 175.76 176.53 3req s ARG 321 N 2.27 3.08 -0.21 0.00 0.52 -1.26 -4.71 118.95 118.64 3req s ARG 321 Ca 0.73 -1.78 -0.08 0.00 -0.52 0.00 0.00 55.73 54.08 3req s ARG 321 Cb -0.40 -4.32 -0.04 0.00 0.52 0.00 0.00 34.95 30.71 3req s ARG 321 CO 0.32 -1.35 0.08 -0.65 0.02 0.00 0.00 175.30 173.72 3req s GLN 322 N 1.51 3.86 -0.48 3.54 -0.21 -1.26 -1.42 119.66 125.19 3req s GLN 322 Ca 0.06 -0.39 -0.13 0.00 0.02 0.00 0.00 55.36 54.92 3req s GLN 322 Cb -0.27 -3.29 0.10 0.00 1.00 0.00 0.00 33.01 30.56 3req s GLN 322 CO 0.02 0.07 0.39 -0.80 -2.12 0.00 0.00 175.29 172.84 3req s ASN 323 N 0.93 5.93 0.07 5.90 0.01 0.22 0.71 114.94 128.70 3req s ASN 323 Ca 0.04 -1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 50.24 3req s ASN 323 Cb -0.14 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 3req s ASN 323 CO 0.03 -0.70 0.93 0.00 -1.51 0.00 0.00 177.10 175.84 3req s ALA 324 N 1.51 3.25 -0.09 0.60 0.00 0.02 -2.40 121.76 124.65 3req s ALA 324 Ca 0.04 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3req s ALA 324 Cb -0.26 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3req s ALA 324 CO 0.03 -0.06 -0.14 -1.50 0.00 0.00 0.00 175.76 174.09 3req s ILE 325 N 0.22 1.40 0.69 0.00 2.07 -0.37 0.48 121.20 125.69 3req s ILE 325 Ca 0.46 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.94 3req s ILE 325 Cb -0.22 -1.28 0.02 0.00 0.13 0.00 0.00 42.46 41.11 3req s ILE 325 CO 0.28 0.42 1.27 0.42 -1.91 0.00 0.00 174.94 175.42 3req s THR 326 N 0.87 2.04 0.06 4.00 -4.23 -0.64 -1.39 115.64 116.35 3req s THR 326 Ca -0.09 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 3req s THR 326 Cb -0.15 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 3req s THR 326 CO 0.01 -0.01 1.02 -0.55 -0.54 0.00 0.00 174.62 174.55 3req s SER 327 N -1.61 7.34 0.14 3.99 0.15 -0.60 -4.67 113.70 118.44 3req s SER 327 Ca 0.80 1.80 -0.07 0.00 0.70 0.00 0.00 55.95 59.18 3req s SER 327 Cb -0.35 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.32 3req s SER 327 CO 0.43 -0.24 1.35 -0.25 1.20 0.00 0.00 173.24 175.73 3req h TRP 328 N 6.32 0.78 -0.80 3.44 7.01 -1.93 -3.28 115.95 127.49 3req h TRP 328 Ca -0.42 -0.36 -0.04 0.00 2.11 0.00 0.00 58.89 60.18 3req h TRP 328 Cb 1.22 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 3req h TRP 328 CO 0.66 1.16 0.35 -0.09 -2.79 0.00 0.00 178.44 177.74 3req h ARG 329 N 0.37 1.17 0.00 2.65 2.43 -1.92 -1.56 114.38 117.53 3req h ARG 329 Ca -0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3req h ARG 329 Cb 1.42 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3req h ARG 329 CO 0.15 0.92 0.00 0.93 -1.51 0.00 0.00 179.97 180.46 3req h GLU 330 N 1.15 0.00 -6.84 0.20 5.08 -1.97 0.12 114.58 112.33 3req h GLU 330 Ca 0.27 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.10 3req h GLU 330 Cb 0.16 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.48 3req h GLU 330 CO -0.03 0.00 0.71 -0.51 -1.00 0.00 0.00 179.01 178.18 3req s LEU 331 N -6.11 4.39 0.23 1.33 1.43 -0.59 -4.94 118.68 114.43 3req s LEU 331 Ca 0.02 2.75 0.11 0.00 -1.03 0.00 0.00 54.13 55.98 3req s LEU 331 Cb 0.09 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3req s LEU 331 CO 0.54 -0.66 -0.19 0.42 0.23 0.00 0.00 176.35 176.69 3req s THR 332 N -0.71 2.58 -0.17 5.49 -4.23 -1.26 -4.71 115.64 112.64 3req s THR 332 Ca 0.54 -2.13 -0.21 0.00 -1.18 0.00 0.00 61.69 58.70 3req s THR 332 Cb -0.42 -2.30 -0.18 0.00 1.34 0.00 0.00 72.50 70.93 3req s THR 332 CO 0.51 -0.25 0.37 -0.09 -0.54 0.00 0.00 174.62 174.62 3req h ARG 333 N 2.70 0.00 -6.69 3.99 2.43 -1.93 -3.42 114.38 111.46 3req h ARG 333 Ca -0.44 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.22 3req h ARG 333 Cb 1.23 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3req h ARG 333 CO 0.54 0.82 0.47 -1.21 -1.51 0.00 0.00 179.97 179.08 3req s GLU 334 N -2.23 4.61 -0.71 0.20 8.01 -1.26 -3.69 118.70 123.63 3req s GLU 334 Ca -0.21 1.73 -0.06 0.00 0.01 0.00 0.00 54.97 56.44 3req s GLU 334 Cb 0.02 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.59 3req s GLU 334 CO 0.54 0.12 0.65 -3.47 0.01 0.00 0.00 175.26 173.10 3req n ASP 335 N 2.07 -6.30 0.27 -0.19 -0.08 -1.26 -4.88 116.55 106.17 3req n ASP 335 Ca 0.02 -0.40 0.15 0.00 -1.51 0.00 0.00 54.79 53.04 3req n ASP 335 Cb 0.46 -3.36 0.69 0.00 2.34 0.00 0.00 41.12 41.25 3req n ASP 335 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3req h PRO 336 N 0.48 0.00 -0.86 -0.67 0.13 -1.72 -3.15 132.00 126.20 3req h PRO 336 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3req h PRO 336 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3req h PRO 336 CO 0.31 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 178.83 3req n TYR 337 N -3.30 0.10 0.78 1.56 4.02 -1.26 -2.67 117.16 116.38 3req n TYR 337 Ca -0.01 -0.03 0.09 0.00 -0.01 0.00 0.00 57.90 57.94 3req n TYR 337 Cb 0.30 -0.11 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 3req n TYR 337 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3req n VAL 338 N -0.02 0.00 0.55 -0.72 0.31 -1.19 -3.97 118.33 113.29 3req n VAL 338 Ca 0.01 -0.10 0.13 0.00 -0.01 0.00 0.00 64.34 64.37 3req n VAL 338 Cb 0.27 0.91 0.37 0.00 -0.91 0.00 0.00 33.84 34.47 3req n VAL 338 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3req h ASN 339 N 0.00 0.00 -0.42 4.52 2.35 -1.74 -2.48 115.58 117.81 3req h ASN 339 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 3req h ASN 339 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3req h ASN 339 CO 0.00 0.00 -0.33 0.40 -1.65 0.00 0.00 177.43 175.85 3req h ILE 340 N 0.00 1.27 -0.56 2.81 2.04 -1.78 -0.78 117.51 120.50 3req h ILE 340 Ca 0.00 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 3req h ILE 340 Cb 0.77 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3req h ILE 340 CO 0.00 0.51 0.25 -0.07 0.00 0.00 0.00 178.15 178.84 3req h LEU 341 N 0.79 0.75 -0.41 1.44 3.38 -1.69 0.25 115.31 119.81 3req h LEU 341 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3req h LEU 341 Cb 0.92 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3req h LEU 341 CO 0.09 0.68 0.26 0.03 0.09 0.00 0.00 178.44 179.59 3req h ARG 342 N 0.76 0.55 -0.14 1.13 3.08 -1.24 -1.56 114.38 116.97 3req h ARG 342 Ca 0.19 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 3req h ARG 342 Cb 0.15 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3req h ARG 342 CO -0.02 0.39 -0.67 0.78 -1.07 0.00 0.00 179.97 179.38 3req h GLY 343 N 0.55 0.63 0.63 0.04 0.00 -0.99 -1.70 103.07 102.23 3req h GLY 343 Ca 0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 3req h GLY 343 CO -0.03 0.74 -0.40 1.76 0.00 0.00 0.00 176.54 178.61 3req h SER 344 N 0.41 -1.07 0.36 0.19 0.02 -0.22 -1.05 113.55 112.19 3req h SER 344 Ca -0.02 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3req h SER 344 Cb 1.25 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 3req h SER 344 CO 0.13 -0.56 -0.30 -0.29 -1.14 0.00 0.00 176.83 174.66 3req h ILE 345 N -0.85 1.13 0.00 3.27 2.10 -1.35 -2.55 117.51 119.25 3req h ILE 345 Ca -0.04 -1.07 -0.17 0.00 1.08 0.00 0.00 64.86 64.66 3req h ILE 345 Cb 0.74 1.59 -0.03 0.00 -1.09 0.00 0.00 36.82 38.03 3req h ILE 345 CO -0.04 0.30 -0.95 0.00 -1.08 0.00 0.00 178.15 176.37 3req h ALA 346 N 1.70 0.56 -0.05 0.18 0.00 -1.24 -2.59 119.26 117.81 3req h ALA 346 Ca -0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 54.91 53.89 3req h ALA 346 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3req h ALA 346 CO 0.04 1.01 -0.88 1.15 0.00 0.00 0.00 179.25 180.57 3req h THR 347 N 0.00 1.35 0.43 0.00 2.02 -1.09 -1.63 112.91 113.99 3req h THR 347 Ca -0.06 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.86 3req h THR 347 Cb 1.63 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 70.28 3req h THR 347 CO 0.09 0.68 -0.41 0.15 0.37 0.00 0.00 175.52 176.41 3req h PHE 348 N 0.33 -1.12 -0.99 3.16 3.57 -1.52 -2.61 116.94 117.75 3req h PHE 348 Ca -0.07 0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.72 3req h PHE 348 Cb 1.50 0.43 -0.14 0.00 2.79 0.00 0.00 35.95 40.53 3req h PHE 348 CO 0.07 -0.55 0.56 0.77 -2.23 0.00 0.00 178.31 176.93 3req h SER 349 N -0.83 0.54 1.25 0.41 0.02 -1.42 -1.66 113.55 111.86 3req h SER 349 Ca -0.06 0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3req h SER 349 Cb 0.71 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3req h SER 349 CO -0.03 -0.05 -0.41 0.00 -1.14 0.00 0.00 176.83 175.20 3req h ALA 350 N 1.80 0.82 -0.04 3.77 0.00 -0.98 -3.10 119.26 121.53 3req h ALA 350 Ca 0.69 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3req h ALA 350 Cb 1.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3req h ALA 350 CO -0.56 0.51 0.00 1.03 0.00 0.00 0.00 179.25 180.23 3req h SER 351 N 0.00 0.06 1.11 0.00 0.87 -0.95 0.12 113.55 114.77 3req h SER 351 Ca -0.00 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3req h SER 351 Cb 1.15 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3req h SER 351 CO 0.05 0.35 -0.01 0.58 -0.53 0.00 0.00 176.83 177.27 3req h VAL 352 N -0.23 0.04 0.00 2.23 2.07 -1.51 -2.15 116.25 116.70 3req h VAL 352 Ca 0.01 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3req h VAL 352 Cb 0.32 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3req h VAL 352 CO 0.00 0.01 -1.08 1.23 0.02 0.00 0.00 177.57 177.75 3req h GLY 353 N 2.24 0.00 0.00 2.17 0.00 -1.63 -3.42 103.07 102.43 3req h GLY 353 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3req h GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3req n GLY 354 N 1.24 1.13 3.60 4.60 0.00 -0.81 -3.94 105.19 111.00 3req n GLY 354 Ca -0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3req n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req n ALA 355 N -1.11 -0.01 0.07 4.61 0.00 0.02 -4.83 120.51 119.27 3req n ALA 355 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 3req n ALA 355 Cb 0.06 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.30 3req n ALA 355 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3req h GLU 356 N 0.37 0.60 -3.75 0.00 3.07 -0.04 -3.46 114.58 111.36 3req h GLU 356 Ca -0.48 -0.77 -0.18 0.00 -0.50 0.00 0.00 59.36 57.43 3req h GLU 356 Cb 1.37 0.25 -0.23 0.00 -0.84 0.00 0.00 28.75 29.29 3req h GLU 356 CO 0.50 1.34 -0.65 -1.54 -1.40 0.00 0.00 179.01 177.26 3req s SER 357 N -7.31 0.09 -0.20 1.42 1.04 -1.23 -3.92 113.70 103.58 3req s SER 357 Ca -0.10 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 3req s SER 357 Cb 0.05 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3req s SER 357 CO 0.91 -0.20 -0.15 -0.63 0.98 0.00 0.00 173.24 174.15 3req s ILE 358 N -0.87 2.40 -0.52 -1.02 1.01 -0.82 -0.80 121.20 120.57 3req s ILE 358 Ca -0.10 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 3req s ILE 358 Cb -0.06 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.46 3req s ILE 358 CO -0.00 0.46 0.48 -0.89 0.00 0.00 0.00 174.94 174.99 3req s THR 359 N 1.32 5.20 -0.63 2.92 2.01 0.18 -2.61 115.64 124.02 3req s THR 359 Ca 0.04 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.49 3req s THR 359 Cb -0.14 -4.29 0.12 0.00 0.01 0.00 0.00 72.50 68.20 3req s THR 359 CO -0.10 -0.80 0.73 -0.89 -0.69 0.00 0.00 174.62 172.87 3req s THR 360 N 1.65 4.91 0.09 -0.82 2.01 -1.26 -1.63 115.64 120.59 3req s THR 360 Ca 0.04 -1.20 -0.36 0.00 0.31 0.00 0.00 61.69 60.47 3req s THR 360 Cb -0.28 -4.50 -0.16 0.00 0.01 0.00 0.00 72.50 67.57 3req s THR 360 CO 0.04 -1.13 1.42 0.18 -0.69 0.00 0.00 174.62 174.44 3req n LEU 361 N 6.07 2.02 -4.50 4.42 4.77 -1.26 -4.66 117.00 123.87 3req n LEU 361 Ca -0.05 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.73 3req n LEU 361 Cb 0.43 -1.24 0.19 0.00 -2.33 0.00 0.00 43.42 40.47 3req n LEU 361 CO 0.55 -0.84 0.29 -0.81 -1.33 0.00 0.00 177.39 175.26 3req n PRO 362 N 2.89 -1.28 0.00 3.23 -0.04 -1.26 -4.86 135.00 133.67 3req n PRO 362 Ca 0.18 -0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 3req n PRO 362 Cb 0.21 -2.11 0.46 0.00 -0.04 0.00 0.00 33.50 32.03 3req n PRO 362 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3req n PHE 363 N -4.41 0.00 -0.74 0.54 -1.74 -1.26 -3.57 117.46 106.28 3req n PHE 363 Ca 0.06 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.03 3req n PHE 363 Cb 0.54 -0.25 0.22 0.00 1.52 0.00 0.00 39.48 41.52 3req n PHE 363 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 3req n THR 364 N -1.25 1.88 0.58 1.97 -2.24 -1.26 -4.73 114.28 109.23 3req n THR 364 Ca 0.09 -1.61 0.11 0.00 -2.27 0.00 0.00 64.05 60.37 3req n THR 364 Cb 0.13 -0.02 0.43 0.00 -2.10 0.00 0.00 70.33 68.78 3req n THR 364 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3req n GLN 365 N -0.21 0.09 0.06 -0.78 -0.06 -1.23 -1.46 117.38 113.78 3req n GLN 365 Ca 0.18 0.25 -0.15 0.00 -2.00 0.00 0.00 57.00 55.28 3req n GLN 365 Cb 0.74 -1.65 -0.14 0.00 -4.06 0.00 0.00 30.24 25.13 3req n GLN 365 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3req h ALA 366 N 2.53 0.31 0.15 1.69 0.00 -1.85 -3.40 119.26 118.69 3req h ALA 366 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 3req h ALA 366 Cb 0.40 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3req h ALA 366 CO 0.00 1.18 -0.07 -0.07 0.00 0.00 0.00 179.25 180.28 3req h LEU 367 N 0.06 -0.17 0.00 0.00 3.38 -1.72 -3.48 115.31 113.38 3req h LEU 367 Ca -0.22 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3req h LEU 367 Cb 1.99 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3req h LEU 367 CO 0.15 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.70 3req n GLY 368 N 0.76 -1.31 3.77 0.83 0.00 -0.54 -4.63 105.19 104.08 3req n GLY 368 Ca -0.07 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 3req n GLY 368 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3req s LEU 369 N 0.00 4.08 0.24 0.99 1.43 -0.20 -4.24 118.68 120.97 3req s LEU 369 Ca 0.00 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.15 3req s LEU 369 Cb 0.00 -4.14 -0.13 0.00 0.03 0.00 0.00 46.19 41.95 3req s LEU 369 CO 0.00 -0.86 1.47 -2.65 0.23 0.00 0.00 176.35 174.54 3req n PRO 370 N -0.28 2.17 0.00 1.29 -0.02 -1.26 -0.99 135.00 135.91 3req n PRO 370 Ca 0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3req n PRO 370 Cb 0.47 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3req n PRO 370 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3req n GLU 371 N 2.30 0.00 0.00 -0.52 2.13 -1.26 -4.70 120.64 118.59 3req n GLU 371 Ca 0.12 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3req n GLU 371 Cb 0.32 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3req n GLU 371 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3req n ASP 372 N -1.27 0.00 0.12 4.31 5.68 -1.26 -4.99 116.55 119.15 3req n ASP 372 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 3req n ASP 372 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 3req n ASP 372 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3req h ASP 373 N 0.00 0.10 0.00 -1.12 3.58 -2.00 -3.40 116.42 113.57 3req h ASP 373 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3req h ASP 373 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3req h ASP 373 CO 0.00 0.66 0.00 0.33 -2.88 0.00 0.00 179.24 177.35 3req n PHE 374 N -3.86 0.00 -0.09 0.28 7.35 -1.26 -0.65 117.46 119.23 3req n PHE 374 Ca -0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.59 3req n PHE 374 Cb 0.59 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 3req n PHE 374 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3req h PRO 375 N 0.00 -0.28 -0.31 -7.13 0.11 -1.99 -1.57 132.00 120.84 3req h PRO 375 Ca 0.00 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.16 3req h PRO 375 Cb 0.00 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3req h PRO 375 CO 0.00 -0.18 0.21 -0.07 -0.21 0.00 0.00 178.00 177.74 3req h LEU 376 N -0.29 0.26 0.05 2.35 3.38 -1.72 0.20 115.31 119.54 3req h LEU 376 Ca 0.15 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 3req h LEU 376 Cb 0.54 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3req h LEU 376 CO -0.50 0.18 -1.18 -0.09 0.09 0.00 0.00 178.44 176.95 3req h ARG 377 N 0.30 0.33 -0.32 1.13 2.43 -0.15 -2.67 114.38 115.42 3req h ARG 377 Ca 0.13 -0.49 -0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3req h ARG 377 Cb 0.13 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3req h ARG 377 CO -0.03 1.20 -0.00 0.82 -1.51 0.00 0.00 179.97 180.46 3req h ILE 378 N 0.12 1.26 0.48 1.20 1.08 -1.19 -0.69 117.51 119.77 3req h ILE 378 Ca -0.13 -0.96 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 3req h ILE 378 Cb 1.88 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 3req h ILE 378 CO 0.20 0.31 -0.39 0.00 -0.69 0.00 0.00 178.15 177.58 3req h ALA 379 N 0.85 -1.12 -0.77 1.87 0.00 -0.64 -2.94 119.26 116.51 3req h ALA 379 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3req h ALA 379 Cb 0.45 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3req h ALA 379 CO 0.02 -1.12 0.51 0.07 0.00 0.00 0.00 179.25 178.73 3req h ARG 380 N -0.85 0.99 0.00 0.00 0.11 -1.51 -2.55 114.38 110.56 3req h ARG 380 Ca -0.06 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.96 3req h ARG 380 Cb 0.72 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3req h ARG 380 CO 0.00 0.65 0.00 0.09 0.10 0.00 0.00 179.97 180.81 3req n ASN 381 N -4.43 0.00 0.05 0.08 4.13 -0.27 -2.98 115.26 111.84 3req n ASN 381 Ca 0.09 0.10 -0.13 0.00 1.68 0.00 0.00 54.58 56.32 3req n ASN 381 Cb 0.06 -0.34 -0.09 0.00 -1.54 0.00 0.00 39.78 37.87 3req n ASN 381 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3req h THR 382 N 0.00 1.10 -0.25 3.41 2.02 -1.27 0.68 112.91 118.60 3req h THR 382 Ca 0.00 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 3req h THR 382 Cb 0.26 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3req h THR 382 CO 0.00 0.16 -0.21 1.23 0.37 0.00 0.00 175.52 177.06 3req h GLY 383 N -0.39 0.63 0.87 2.16 0.00 -1.72 -2.84 103.07 101.77 3req h GLY 383 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3req h GLY 383 CO 0.02 0.57 -0.06 -2.22 0.00 0.00 0.00 176.54 174.84 3req h ILE 384 N 0.29 0.95 0.24 2.60 2.04 -1.57 0.20 117.51 122.25 3req h ILE 384 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3req h ILE 384 Cb 0.76 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3req h ILE 384 CO 0.05 0.07 -0.23 0.58 0.00 0.00 0.00 178.15 178.62 3req h VAL 385 N -0.31 0.50 -0.62 1.67 2.07 -0.93 -2.15 116.25 116.48 3req h VAL 385 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 3req h VAL 385 Cb 0.25 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 3req h VAL 385 CO 0.03 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.53 3req h LEU 386 N -0.50 -0.32 0.46 2.57 3.38 -1.37 0.28 115.31 119.81 3req h LEU 386 Ca -0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3req h LEU 386 Cb 0.46 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3req h LEU 386 CO -0.05 -0.13 -0.29 0.00 0.09 0.00 0.00 178.44 178.06 3req h ALA 387 N 1.58 -0.73 0.00 1.53 0.00 -0.51 0.59 119.26 121.72 3req h ALA 387 Ca 0.32 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3req h ALA 387 Cb 0.52 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3req h ALA 387 CO -0.55 -0.92 -1.65 0.39 0.00 0.00 0.00 179.25 176.52 3req n GLU 388 N -5.43 0.64 -0.04 0.00 1.02 -0.82 -3.29 120.64 112.72 3req n GLU 388 Ca -0.11 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 56.96 3req n GLU 388 Cb 0.32 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 3req n GLU 388 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3req n GLU 389 N -2.52 2.52 -0.02 3.49 1.02 0.95 -4.60 120.64 121.48 3req n GLU 389 Ca -0.06 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 3req n GLU 389 Cb 0.66 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 30.71 3req n GLU 389 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3req n VAL 390 N -2.33 1.67 -2.37 2.62 0.31 -1.13 -4.99 118.33 112.10 3req n VAL 390 Ca -0.14 -0.72 -0.08 0.00 -0.01 0.00 0.00 64.34 63.38 3req n VAL 390 Cb 0.79 -1.35 0.01 0.00 -0.91 0.00 0.00 33.84 32.37 3req n VAL 390 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3req n ASN 391 N -3.24 -3.11 0.14 4.52 4.13 0.19 -4.95 115.26 112.94 3req n ASN 391 Ca -0.27 -0.06 0.13 0.00 1.68 0.00 0.00 54.58 56.06 3req n ASN 391 Cb 1.05 -2.21 0.39 0.00 -1.54 0.00 0.00 39.78 37.48 3req n ASN 391 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 3req h ILE 392 N -0.29 0.00 -0.53 2.41 3.07 -1.72 -3.24 117.51 117.22 3req h ILE 392 Ca -0.20 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.67 3req h ILE 392 Cb 1.14 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 3req h ILE 392 CO 0.22 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.93 3req n GLY 393 N 0.96 1.71 0.09 0.16 0.00 -1.26 -4.34 105.19 102.52 3req n GLY 393 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3req n GLY 393 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3req h ARG 394 N 3.69 0.20 -5.73 1.61 3.08 -1.76 -3.44 114.38 112.04 3req h ARG 394 Ca 0.00 -0.34 -0.67 0.00 0.07 0.00 0.00 59.98 59.04 3req h ARG 394 Cb 0.83 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 3req h ARG 394 CO 0.00 1.16 -0.51 0.08 -1.07 0.00 0.00 179.97 179.63 3req s VAL 395 N -2.69 5.28 0.41 2.04 1.01 -1.26 -3.80 120.40 121.39 3req s VAL 395 Ca -0.03 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 3req s VAL 395 Cb 0.08 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3req s VAL 395 CO 0.87 0.57 1.02 0.20 0.00 0.00 0.00 175.10 177.76 3req s ASN 396 N -1.15 6.80 0.00 3.32 0.01 -1.26 -4.50 114.94 118.15 3req s ASN 396 Ca 0.17 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 3req s ASN 396 Cb -0.12 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3req s ASN 396 CO 0.06 -0.46 0.00 -0.67 -1.51 0.00 0.00 177.10 174.52 3req n ASP 397 N -0.20 0.00 0.22 -1.22 2.03 -1.26 -4.87 116.55 111.26 3req n ASP 397 Ca 0.05 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.44 3req n ASP 397 Cb 0.51 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.42 3req n ASP 397 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3req h PRO 398 N 0.30 0.00 -0.00 -0.67 0.14 -1.81 -3.03 132.00 126.94 3req h PRO 398 Ca 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.14 3req h PRO 398 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.14 3req h PRO 398 CO 0.00 0.25 -0.00 0.00 0.14 0.00 0.00 178.00 178.39 3req h ALA 399 N 1.75 0.00 0.00 -0.56 0.00 -1.89 -3.48 119.26 115.08 3req h ALA 399 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3req h ALA 399 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3req h ALA 399 CO 0.03 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.41 3req n GLY 400 N 0.07 0.00 0.73 0.00 0.00 -1.15 -1.11 105.19 103.73 3req n GLY 400 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3req n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3req n GLY 401 N 0.00 0.80 3.63 -0.02 0.00 -1.26 -5.04 105.19 103.30 3req n GLY 401 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3req n GLY 401 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3req s SER 402 N -2.13 6.66 0.16 1.61 0.15 -0.27 -4.97 113.70 114.91 3req s SER 402 Ca 0.00 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.16 3req s SER 402 Cb 0.00 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3req s SER 402 CO 0.00 -0.41 1.52 -1.22 1.20 0.00 0.00 173.24 174.33 3req n TYR 403 N 5.79 -0.41 0.06 3.44 4.01 -1.26 -0.72 117.16 128.07 3req n TYR 403 Ca 0.01 1.23 -0.11 0.00 -0.16 0.00 0.00 57.90 58.88 3req n TYR 403 Cb 0.48 -0.60 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 3req n TYR 403 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3req h TYR 404 N 0.00 -1.04 0.30 -0.72 3.20 -1.90 0.31 116.97 117.11 3req h TYR 404 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3req h TYR 404 Cb 0.42 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3req h TYR 404 CO -1.01 -0.39 -0.31 0.28 -1.64 0.00 0.00 178.16 175.09 3req h VAL 405 N -0.48 0.34 -0.55 1.81 2.07 -1.81 0.14 116.25 117.77 3req h VAL 405 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3req h VAL 405 Cb 0.50 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 3req h VAL 405 CO -0.22 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.65 3req h GLU 406 N -0.65 -0.08 0.00 1.57 4.39 -0.93 -1.69 114.58 117.19 3req h GLU 406 Ca -0.01 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.72 3req h GLU 406 Cb 0.60 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3req h GLU 406 CO -0.07 -0.05 -0.22 1.03 -1.16 0.00 0.00 179.01 178.53 3req h SER 407 N -0.09 -0.66 -0.86 1.42 0.87 0.42 -2.74 113.55 111.92 3req h SER 407 Ca 0.09 0.09 0.22 0.00 -1.23 0.00 0.00 61.79 60.96 3req h SER 407 Cb 0.32 0.27 -0.15 0.00 -0.44 0.00 0.00 62.40 62.40 3req h SER 407 CO -0.56 -0.29 0.09 0.25 -0.53 0.00 0.00 176.83 175.78 3req h LEU 408 N -0.36 -0.27 -0.25 2.23 5.85 -0.26 0.23 115.31 122.48 3req h LEU 408 Ca 0.06 0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3req h LEU 408 Cb 0.43 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 3req h LEU 408 CO -0.20 -0.22 -0.35 0.74 -0.34 0.00 0.00 178.44 178.07 3req h THR 409 N 0.11 0.22 0.48 1.05 2.02 -1.16 0.42 112.91 116.05 3req h THR 409 Ca 0.51 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.67 3req h THR 409 Cb 0.99 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3req h THR 409 CO -0.74 0.00 -0.30 -0.09 0.37 0.00 0.00 175.52 174.77 3req h ARG 410 N -0.36 -0.71 -0.30 6.66 9.65 -0.40 -1.77 114.38 127.15 3req h ARG 410 Ca 0.12 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.12 3req h ARG 410 Cb 0.56 0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.23 3req h ARG 410 CO -0.45 -0.48 -0.28 0.77 2.80 0.00 0.00 179.97 182.34 3req h SER 411 N -0.74 -0.90 -0.58 -3.80 0.02 -0.50 -1.26 113.55 105.79 3req h SER 411 Ca -0.05 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3req h SER 411 Cb 0.61 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 3req h SER 411 CO 0.05 -0.30 0.38 -0.07 -1.14 0.00 0.00 176.83 175.75 3req h LEU 412 N -0.26 0.65 0.61 5.07 3.38 -0.12 -1.85 115.31 122.78 3req h LEU 412 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3req h LEU 412 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3req h LEU 412 CO -0.45 0.47 -0.48 0.00 0.09 0.00 0.00 178.44 178.07 3req h ALA 413 N 1.22 -1.15 -0.43 1.53 0.00 -1.24 -0.36 119.26 118.83 3req h ALA 413 Ca 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3req h ALA 413 Cb -0.07 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3req h ALA 413 CO -0.06 -1.18 -0.37 -0.44 0.00 0.00 0.00 179.25 177.21 3req h ASP 414 N -1.06 -1.29 -0.69 0.00 5.19 -0.91 0.95 116.42 118.61 3req h ASP 414 Ca -0.08 0.18 0.15 0.00 -0.62 0.00 0.00 57.03 56.67 3req h ASP 414 Cb 0.89 0.55 -0.12 0.00 0.18 0.00 0.00 39.33 40.83 3req h ASP 414 CO 0.01 -0.21 0.02 0.00 -3.12 0.00 0.00 179.24 175.94 3req h ALA 415 N -0.29 0.72 -0.20 3.45 0.00 -1.36 -1.03 119.26 120.54 3req h ALA 415 Ca 0.07 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3req h ALA 415 Cb 0.33 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3req h ALA 415 CO -0.48 -0.40 -0.15 0.00 0.00 0.00 0.00 179.25 178.22 3req h ALA 416 N 1.64 0.29 0.37 0.00 0.00 -0.22 -1.85 119.26 119.50 3req h ALA 416 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3req h ALA 416 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3req h ALA 416 CO -0.59 0.18 -0.52 2.35 0.00 0.00 0.00 179.25 180.67 3req h TRP 417 N 0.15 -1.46 -0.92 0.00 2.91 -0.40 0.11 115.95 116.34 3req h TRP 417 Ca 0.04 0.02 0.23 0.00 1.13 0.00 0.00 58.89 60.31 3req h TRP 417 Cb 0.66 0.59 -0.17 0.00 -0.51 0.00 0.00 29.16 29.73 3req h TRP 417 CO 0.07 -0.65 -0.03 -0.22 -1.03 0.00 0.00 178.44 176.58 3req h LYS 418 N -0.93 0.03 0.00 2.65 1.63 -1.27 0.91 116.57 119.60 3req h LYS 418 Ca -0.04 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 3req h LYS 418 Cb 0.84 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 3req h LYS 418 CO -0.14 0.02 -0.19 1.49 -3.45 0.00 0.00 179.45 177.18 3req h GLU 419 N 0.04 0.00 0.00 1.90 4.57 -0.73 -2.68 114.58 117.68 3req h GLU 419 Ca 0.52 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.56 3req h GLU 419 Cb 0.97 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3req h GLU 419 CO -0.86 0.19 -0.91 0.27 -1.18 0.00 0.00 179.01 176.52 3req h PHE 420 N 0.00 0.00 0.34 0.92 -5.15 0.55 -2.90 116.94 110.70 3req h PHE 420 Ca -0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3req h PHE 420 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.07 3req h PHE 420 CO 0.00 0.56 -0.16 1.96 -2.00 0.00 0.00 178.31 178.67 3req h GLN 421 N 0.00 -0.44 -0.86 6.09 4.20 -0.72 -1.29 115.11 122.09 3req h GLN 421 Ca -0.07 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.75 3req h GLN 421 Cb 1.49 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 29.27 3req h GLN 421 CO 0.06 -0.29 -0.51 0.39 -0.67 0.00 0.00 178.83 177.81 3req n GLU 422 N -3.24 -0.38 -0.29 1.46 -0.58 -1.02 -0.85 120.64 115.74 3req n GLU 422 Ca -0.06 1.43 0.06 0.00 -0.42 0.00 0.00 57.16 58.18 3req n GLU 422 Cb 0.18 -2.11 0.16 0.00 -0.57 0.00 0.00 31.44 29.10 3req n GLU 422 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3req h VAL 423 N 0.00 0.19 -0.00 2.62 2.07 -1.57 -2.19 116.25 117.36 3req h VAL 423 Ca 0.14 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3req h VAL 423 Cb 0.35 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3req h VAL 423 CO -0.81 0.01 -0.19 1.21 0.02 0.00 0.00 177.57 177.81 3req n GLU 424 N -5.47 0.62 0.01 1.57 2.13 -0.03 -0.55 120.64 118.93 3req n GLU 424 Ca 0.15 -0.27 0.12 0.00 0.66 0.00 0.00 57.16 57.82 3req n GLU 424 Cb 0.51 -1.49 0.30 0.00 0.27 0.00 0.00 31.44 31.03 3req n GLU 424 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3req n LYS 425 N -0.95 0.04 -2.94 5.31 5.02 -0.37 -3.81 118.16 120.45 3req n LYS 425 Ca 0.12 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 3req n LYS 425 Cb 0.31 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3req n LYS 425 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3req n LEU 426 N -1.58 2.47 0.00 -0.35 -0.00 -1.09 -4.99 117.00 111.47 3req n LEU 426 Ca 0.05 -5.01 0.00 0.00 -0.00 0.00 0.00 56.01 51.06 3req n LEU 426 Cb 0.35 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 3req n LEU 426 CO 0.34 2.18 0.00 0.61 -0.00 0.00 0.00 177.39 180.52 3req n GLY 427 N -0.03 1.90 0.00 1.47 0.00 -1.24 -4.28 105.19 103.01 3req n GLY 427 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3req n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3req n GLY 428 N 0.00 0.44 0.13 -0.02 0.00 0.29 -4.70 105.19 101.34 3req n GLY 428 Ca 0.00 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 3req n GLY 428 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3req h MET 429 N 0.00 0.38 0.57 1.61 4.05 -1.81 -2.55 114.93 117.18 3req h MET 429 Ca 0.00 -0.64 -0.03 0.00 -0.28 0.00 0.00 59.70 58.75 3req h MET 429 Cb 0.00 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3req h MET 429 CO 0.00 1.28 -0.31 0.77 0.23 0.00 0.00 176.91 178.88 3req h SER 430 N 0.10 -0.75 -0.32 1.39 0.02 -1.95 -0.48 113.55 111.56 3req h SER 430 Ca -0.29 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3req h SER 430 Cb 2.09 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 64.78 3req h SER 430 CO 0.19 -0.49 -0.27 0.11 -1.14 0.00 0.00 176.83 175.23 3req h LYS 431 N -0.80 -0.10 -0.73 3.45 1.57 -1.84 -1.51 116.57 116.60 3req h LYS 431 Ca -0.08 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3req h LYS 431 Cb 0.63 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.87 3req h LYS 431 CO 0.11 -0.06 -0.43 0.00 -0.57 0.00 0.00 179.45 178.49 3req n ALA 432 N -2.99 -0.47 -0.05 3.86 0.00 -0.96 -1.30 120.51 118.60 3req n ALA 432 Ca -0.00 0.62 -0.06 0.00 0.00 0.00 0.00 53.44 54.00 3req n ALA 432 Cb 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 3req n ALA 432 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3req h VAL 433 N 0.00 0.00 -1.00 0.00 2.07 -0.59 -2.99 116.25 113.73 3req h VAL 433 Ca 0.12 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.87 3req h VAL 433 Cb 0.30 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 3req h VAL 433 CO -0.69 0.00 0.63 0.24 0.02 0.00 0.00 177.57 177.78 3req h MET 434 N -0.18 0.50 0.00 1.57 2.86 -0.22 -3.41 114.93 116.05 3req h MET 434 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3req h MET 434 Cb 0.25 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3req h MET 434 CO -0.23 0.33 0.00 -2.37 1.06 0.00 0.00 176.91 175.70 3req n THR 435 N -4.67 0.00 -2.43 2.22 5.66 -0.42 -5.02 114.28 109.62 3req n THR 435 Ca 0.24 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.98 3req n THR 435 Cb 0.75 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 3req n THR 435 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3req n GLU 436 N 0.00 3.36 -0.04 1.09 -0.00 -1.26 -4.74 120.64 119.06 3req n GLU 436 Ca 0.00 -4.42 -0.22 0.00 -0.00 0.00 0.00 57.16 52.52 3req n GLU 436 Cb 0.00 -2.22 -0.13 0.00 -0.00 0.00 0.00 31.44 29.10 3req n GLU 436 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3req n HIS 437 N -0.49 1.16 0.43 -1.84 -0.00 -1.15 -3.00 115.22 110.33 3req n HIS 437 Ca 0.38 0.34 -0.19 0.00 -0.00 0.00 0.00 57.72 58.25 3req n HIS 437 Cb 0.70 -1.14 -0.10 0.00 -0.00 0.00 0.00 29.99 29.46 3req n HIS 437 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3req h VAL 438 N -0.37 0.08 -0.61 3.57 2.07 -1.79 -2.75 116.25 116.44 3req h VAL 438 Ca -0.40 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.21 3req h VAL 438 Cb 1.74 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 31.48 3req h VAL 438 CO -0.04 0.00 -0.44 0.74 0.02 0.00 0.00 177.57 177.85 3req h THR 439 N -1.15 0.08 -0.54 2.57 2.02 -1.86 -1.70 112.91 112.33 3req h THR 439 Ca -0.10 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.18 3req h THR 439 Cb 0.92 0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 67.30 3req h THR 439 CO 0.12 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 176.22 3req h LYS 440 N -0.21 -0.15 0.11 6.66 3.64 -1.47 -1.77 116.57 123.38 3req h LYS 440 Ca 0.18 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3req h LYS 440 Cb 0.56 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3req h LYS 440 CO -0.71 -0.10 -0.05 0.28 -2.27 0.00 0.00 179.45 176.60 3req h VAL 441 N -0.15 0.92 0.00 2.00 2.07 -1.20 -3.10 116.25 116.79 3req h VAL 441 Ca 0.23 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3req h VAL 441 Cb 0.53 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3req h VAL 441 CO -0.63 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 176.92 3req h LEU 442 N -0.20 0.00 0.00 2.57 3.38 -0.99 -3.00 115.31 117.07 3req h LEU 442 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3req h LEU 442 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3req h LEU 442 CO 0.02 0.00 -0.72 0.44 0.09 0.00 0.00 178.44 178.28 3req h ASP 443 N 0.00 0.00 -0.22 -0.43 3.32 -1.35 -3.03 116.42 114.71 3req h ASP 443 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3req h ASP 443 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3req h ASP 443 CO 0.00 0.25 -0.21 0.00 -1.72 0.00 0.00 179.24 177.57 3req h ALA 444 N 1.75 0.32 0.00 3.45 0.00 -1.45 -2.72 119.26 120.61 3req h ALA 444 Ca -0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3req h ALA 444 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3req h ALA 444 CO 0.03 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 179.19 3req n ASN 446 N -3.11 0.65 0.10 0.00 3.02 -1.14 -1.19 115.26 113.57 3req n ASN 446 Ca 0.02 0.46 -0.22 0.00 -0.03 0.00 0.00 54.58 54.82 3req n ASN 446 Cb 0.63 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 3req n ASN 446 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3req h ALA 447 N 2.62 0.07 -0.17 5.41 0.00 -1.51 -2.34 119.26 123.34 3req h ALA 447 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 54.91 53.72 3req h ALA 447 Cb 0.69 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3req h ALA 447 CO 0.00 0.94 -0.56 1.49 0.00 0.00 0.00 179.25 181.12 3req h GLU 448 N 0.11 0.69 -0.40 0.00 4.57 -1.41 -2.99 114.58 115.16 3req h GLU 448 Ca -0.27 -0.51 -0.13 0.00 -1.18 0.00 0.00 59.36 57.26 3req h GLU 448 Cb 2.09 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.76 3req h GLU 448 CO 0.21 1.13 -0.29 -0.09 -1.18 0.00 0.00 179.01 178.79 3req h ARG 449 N 0.38 0.85 -0.29 1.92 2.43 -1.20 -2.23 114.38 116.25 3req h ARG 449 Ca -0.02 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3req h ARG 449 Cb 1.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3req h ARG 449 CO 0.12 1.03 0.19 0.00 -1.51 0.00 0.00 179.97 179.80 3req h ALA 450 N 0.95 0.37 -0.81 2.80 0.00 -1.50 0.28 119.26 121.33 3req h ALA 450 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3req h ALA 450 Cb 0.84 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3req h ALA 450 CO 0.07 -0.16 0.51 -0.22 0.00 0.00 0.00 179.25 179.45 3req h LYS 451 N 0.39 1.09 0.00 0.00 3.64 -1.48 0.26 116.57 120.47 3req h LYS 451 Ca 0.11 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3req h LYS 451 Cb -0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 3req h LYS 451 CO -0.02 0.74 -0.37 0.00 -2.27 0.00 0.00 179.45 177.53 3req h ARG 452 N 1.11 0.00 0.00 1.90 3.08 -0.73 -2.59 114.38 117.15 3req h ARG 452 Ca 0.29 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.19 3req h ARG 452 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3req h ARG 452 CO -0.06 0.37 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.41 3req h LEU 453 N 0.00 0.00 0.00 3.04 3.38 -0.17 -0.62 115.31 120.94 3req h LEU 453 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3req h LEU 453 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3req h LEU 453 CO 0.05 0.73 -1.11 0.00 0.09 0.00 0.00 178.44 178.20 3req h ALA 454 N 1.27 0.55 -0.01 1.53 0.00 -0.20 -3.33 119.26 119.07 3req h ALA 454 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3req h ALA 454 Cb 1.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3req h ALA 454 CO 0.10 1.16 -0.57 0.27 0.00 0.00 0.00 179.25 180.20 3req n ASN 455 N -3.20 1.82 -0.42 0.00 0.23 -1.00 -1.08 115.26 111.61 3req n ASN 455 Ca -0.05 -1.41 -0.00 0.00 -0.53 0.00 0.00 54.58 52.59 3req n ASN 455 Cb 0.91 0.58 0.00 0.00 -2.08 0.00 0.00 39.78 39.19 3req n ASN 455 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3req n ARG 456 N -0.30 -0.03 0.00 -3.83 1.74 -0.75 -4.57 116.66 108.92 3req n ARG 456 Ca 0.08 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.28 3req n ARG 456 Cb 0.44 -2.70 0.04 0.00 -1.02 0.00 0.00 32.46 29.22 3req n ARG 456 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3req n LYS 457 N -0.61 0.91 -3.60 5.56 4.01 -0.32 -3.67 118.16 120.44 3req n LYS 457 Ca -0.00 -0.72 -0.28 0.00 -0.51 0.00 0.00 58.31 56.80 3req n LYS 457 Cb 0.50 -1.49 -0.11 0.00 -0.51 0.00 0.00 35.03 33.42 3req n LYS 457 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 3req s GLN 458 N -2.59 1.44 1.12 1.97 0.74 -1.13 -5.00 119.66 116.22 3req s GLN 458 Ca 0.17 -2.46 -0.16 0.00 0.05 0.00 0.00 55.36 52.96 3req s GLN 458 Cb 0.18 -2.18 0.25 0.00 1.10 0.00 0.00 33.01 32.36 3req s GLN 458 CO 0.62 -1.32 1.09 -1.25 -0.55 0.00 0.00 175.29 173.88 3req s PRO 459 N -0.35 -0.59 -0.16 1.67 0.04 -1.24 -4.22 135.00 130.15 3req s PRO 459 Ca 0.28 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 3req s PRO 459 Cb -0.04 -1.64 0.07 0.00 0.04 0.00 0.00 34.50 32.93 3req s PRO 459 CO -0.15 -3.35 0.17 -1.50 0.04 0.00 0.00 177.00 172.20 3req s ILE 460 N -2.93 -0.25 0.00 0.56 -1.16 -1.26 -5.03 121.20 111.13 3req s ILE 460 Ca 0.68 0.02 -0.34 0.00 -0.51 0.00 0.00 60.65 60.51 3req s ILE 460 Cb -0.15 -0.53 -0.12 0.00 0.61 0.00 0.00 42.46 42.27 3req s ILE 460 CO 0.57 -0.11 1.78 0.41 -2.81 0.00 0.00 174.94 174.79 3req n THR 461 N 5.31 0.39 -0.08 4.00 -1.04 -1.26 -2.33 114.28 119.27 3req n THR 461 Ca -0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3req n THR 461 Cb 0.49 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 3req n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3req n ALA 462 N 5.58 0.00 -0.29 2.41 0.00 -0.26 -4.76 120.51 123.19 3req n ALA 462 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3req n ALA 462 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3req n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3req n VAL 463 N -2.00 0.00 1.42 0.00 0.31 -1.15 -4.03 118.33 112.87 3req n VAL 463 Ca 0.00 0.29 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 3req n VAL 463 Cb 0.00 -1.26 0.46 0.00 -0.91 0.00 0.00 33.84 32.12 3req n VAL 463 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3req n SER 464 N -2.19 1.67 -3.82 4.52 3.41 -0.98 -4.53 113.62 111.70 3req n SER 464 Ca 0.00 -1.53 -0.22 0.00 -0.26 0.00 0.00 58.87 56.86 3req n SER 464 Cb 0.00 0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 63.79 3req n SER 464 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3req s GLU 465 N -2.03 0.68 -0.75 4.33 0.41 -1.14 -4.84 118.70 115.37 3req s GLU 465 Ca 0.36 0.03 -0.10 0.00 -0.41 0.00 0.00 54.97 54.84 3req s GLU 465 Cb 0.21 -0.91 0.01 0.00 -1.78 0.00 0.00 34.13 31.66 3req s GLU 465 CO 0.34 -0.22 0.48 1.19 -0.49 0.00 0.00 175.26 176.57 3req n PHE 466 N 4.72 -1.36 -2.24 1.61 3.72 -1.26 -1.10 117.46 121.54 3req n PHE 466 Ca -0.14 0.41 -0.33 0.00 -0.05 0.00 0.00 57.45 57.34 3req n PHE 466 Cb 0.50 -2.10 -0.01 0.00 -0.94 0.00 0.00 39.48 36.93 3req n PHE 466 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3req s PRO 467 N -5.27 3.50 -0.16 -1.08 0.02 -1.26 -4.56 135.00 126.20 3req s PRO 467 Ca 0.14 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 3req s PRO 467 Cb -0.08 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 3req s PRO 467 CO 0.71 -0.67 -0.12 1.41 -0.33 0.00 0.00 177.00 178.01 3req s MET 468 N -3.73 3.34 0.00 5.54 1.75 -1.26 -4.95 119.30 120.00 3req s MET 468 Ca 0.65 -0.68 -0.30 0.00 -1.25 0.00 0.00 55.69 54.11 3req s MET 468 Cb -0.16 -2.72 -0.06 0.00 2.84 0.00 0.00 34.83 34.73 3req s MET 468 CO 0.30 0.07 1.40 0.42 -0.65 0.00 0.00 175.02 176.57 3req s ILE 469 N 0.72 3.70 0.00 10.11 1.01 -1.26 -2.88 121.20 132.59 3req s ILE 469 Ca -0.05 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3req s ILE 469 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3req s ILE 469 CO 0.02 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3req n GLY 470 N 3.65 0.72 3.70 6.18 0.00 -1.26 -5.01 105.19 113.16 3req n GLY 470 Ca 0.13 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 3req n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req n ALA 471 N -0.39 1.76 -1.43 4.61 0.00 -1.14 -4.80 120.51 119.12 3req n ALA 471 Ca 0.00 0.40 -0.53 0.00 0.00 0.00 0.00 53.44 53.31 3req n ALA 471 Cb 0.10 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.12 3req n ALA 471 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3req n ARG 472 N 2.34 0.00 -2.02 0.00 0.63 -1.26 -4.57 116.66 111.78 3req n ARG 472 Ca 0.11 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3req n ARG 472 Cb 0.33 -1.25 -0.00 0.00 0.45 0.00 0.00 32.46 31.99 3req n ARG 472 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3req n SER 473 N 1.69 1.62 -3.95 6.15 2.88 -1.26 -4.16 113.62 116.59 3req n SER 473 Ca 0.19 -1.02 -0.10 0.00 -1.33 0.00 0.00 58.87 56.61 3req n SER 473 Cb 0.15 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.50 3req n SER 473 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3req s ILE 474 N -1.20 0.08 0.06 2.46 1.10 -1.26 -5.04 121.20 117.40 3req s ILE 474 Ca 0.00 -0.70 -0.23 0.00 -0.51 0.00 0.00 60.65 59.22 3req s ILE 474 Cb 0.00 -0.22 -0.06 0.00 0.15 0.00 0.00 42.46 42.33 3req s ILE 474 CO 0.00 -0.38 0.68 -1.61 -2.11 0.00 0.00 174.94 171.52 3req s GLU 475 N -1.13 4.40 0.15 3.50 0.41 -1.26 -5.07 118.70 119.70 3req s GLU 475 Ca -0.12 0.92 0.01 0.00 -0.41 0.00 0.00 54.97 55.37 3req s GLU 475 Cb -0.08 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.91 3req s GLU 475 CO -0.01 0.42 0.01 0.95 -0.49 0.00 0.00 175.26 176.15 3req s THR 476 N -0.46 0.49 -0.46 3.63 -4.23 -1.26 -4.37 115.64 108.98 3req s THR 476 Ca 0.34 -1.95 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 3req s THR 476 Cb -0.20 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.62 3req s THR 476 CO 0.21 -0.52 0.94 -0.54 -0.54 0.00 0.00 174.62 174.17 3req s LYS 477 N -3.95 3.56 0.14 3.99 1.02 -0.16 -4.86 119.74 119.47 3req s LYS 477 Ca 0.22 0.21 -0.34 0.00 0.02 0.00 0.00 55.97 56.08 3req s LYS 477 Cb 0.07 -3.92 -0.16 0.00 -0.52 0.00 0.00 37.83 33.29 3req s LYS 477 CO 0.02 -1.22 1.16 -2.30 -0.92 0.00 0.00 175.35 172.09 3req n PRO 478 N 7.19 0.99 -2.05 -1.68 -0.02 -1.26 -1.04 135.00 137.13 3req n PRO 478 Ca 0.07 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3req n PRO 478 Cb 0.48 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3req n PRO 478 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3req s PHE 479 N -0.06 2.02 0.19 6.00 0.08 -1.26 -4.73 117.98 120.22 3req s PHE 479 Ca 0.77 0.40 -0.32 0.00 0.12 0.00 0.00 56.93 57.90 3req s PHE 479 Cb -0.92 -3.94 -0.15 0.00 -0.57 0.00 0.00 43.02 37.44 3req s PHE 479 CO 0.52 -3.37 1.27 -2.30 -0.10 0.00 0.00 175.22 171.24 3req n PRO 480 N 7.46 1.51 -1.64 0.24 -0.02 -1.26 -4.88 135.00 136.42 3req n PRO 480 Ca 0.19 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 3req n PRO 480 Cb 0.44 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3req n PRO 480 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3req n ALA 481 N 1.73 0.49 -2.41 3.55 0.00 -1.26 -4.93 120.51 117.67 3req n ALA 481 Ca 0.14 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 3req n ALA 481 Cb 0.27 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 3req n ALA 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3req s ALA 482 N -1.14 1.88 0.41 0.00 0.00 -1.26 -4.74 121.76 116.91 3req s ALA 482 Ca 0.59 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 3req s ALA 482 Cb -0.60 -0.44 -0.14 0.00 0.00 0.00 0.00 23.12 21.94 3req s ALA 482 CO 0.60 0.45 0.37 -2.30 0.00 0.00 0.00 175.76 174.88 3req n PRO 483 N 2.23 0.33 -2.75 0.00 -0.02 -1.26 -4.91 135.00 128.62 3req n PRO 483 Ca -0.16 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 3req n PRO 483 Cb 0.53 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 3req n PRO 483 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3req s ALA 484 N -1.54 3.22 0.10 3.55 0.00 -1.26 -5.05 121.76 120.79 3req s ALA 484 Ca 0.62 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.21 3req s ALA 484 Cb -0.63 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 3req s ALA 484 CO 0.60 0.14 -0.18 1.03 0.00 0.00 0.00 175.76 177.35 3req s ARG 485 N -1.95 1.05 -0.03 0.00 0.52 -1.26 -5.05 118.95 112.22 3req s ARG 485 Ca 0.49 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3req s ARG 485 Cb -0.20 -1.17 -0.27 0.00 0.52 0.00 0.00 34.95 33.83 3req s ARG 485 CO 0.26 0.26 0.72 1.57 0.02 0.00 0.00 175.30 178.12 3req h LYS 486 N 3.97 0.21 0.00 3.54 5.09 -1.51 -3.47 116.57 124.40 3req h LYS 486 Ca -0.43 -0.36 0.00 0.00 0.09 0.00 0.00 60.65 59.94 3req h LYS 486 Cb 1.19 0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.65 3req h LYS 486 CO 0.42 1.03 0.00 0.41 -2.09 0.00 0.00 179.45 179.23 3req n GLY 487 N 1.72 -1.19 3.41 0.07 0.00 0.95 -4.87 105.19 105.28 3req n GLY 487 Ca -0.20 -1.15 -0.52 0.00 0.00 0.00 0.00 46.02 44.15 3req n GLY 487 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3req n LEU 488 N 0.00 1.75 -4.78 0.99 4.77 -1.05 -4.95 117.00 113.73 3req n LEU 488 Ca 0.00 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.04 3req n LEU 488 Cb 0.00 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 39.85 3req n LEU 488 CO 0.00 -0.77 0.68 0.00 -1.33 0.00 0.00 177.39 175.97 3req s ALA 489 N 7.29 3.18 -0.38 -1.18 0.00 -1.26 -4.93 121.76 124.48 3req s ALA 489 Ca 1.13 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 3req s ALA 489 Cb -0.99 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 18.99 3req s ALA 489 CO 0.52 0.07 0.16 -1.58 0.00 0.00 0.00 175.76 174.93 3req s TRP 490 N -1.63 3.36 -0.16 0.00 0.52 -1.26 -4.23 118.94 115.53 3req s TRP 490 Ca 0.52 -1.76 -0.01 0.00 0.02 0.00 0.00 56.10 54.87 3req s TRP 490 Cb -0.19 -2.70 -0.01 0.00 -1.15 0.00 0.00 33.47 29.42 3req s TRP 490 CO 0.25 -0.84 -0.11 -1.01 0.02 0.00 0.00 176.95 175.26 3req s HIS 491 N 1.33 2.85 1.19 -1.98 3.76 -1.16 -4.97 115.29 116.31 3req s HIS 491 Ca 0.02 -0.87 -0.16 0.00 -0.15 0.00 0.00 55.06 53.89 3req s HIS 491 Cb -0.21 -1.93 0.28 0.00 1.11 0.00 0.00 32.58 31.82 3req s HIS 491 CO 0.00 -0.40 1.04 1.03 -0.85 0.00 0.00 174.74 175.56 3req s ARG 492 N 0.83 -1.12 0.09 1.40 0.52 -1.26 -4.87 118.95 114.54 3req s ARG 492 Ca -0.04 0.42 0.23 0.00 -0.52 0.00 0.00 55.73 55.82 3req s ARG 492 Cb -0.15 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.69 3req s ARG 492 CO 0.00 -3.75 0.90 -0.25 0.02 0.00 0.00 175.30 172.22 3req n ASP 493 N -4.87 0.56 -1.81 0.23 8.00 0.43 -4.10 116.55 114.98 3req n ASP 493 Ca 0.07 0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.71 3req n ASP 493 Cb 0.57 0.95 0.39 0.00 -0.02 0.00 0.00 41.12 43.01 3req n ASP 493 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3req n SER 494 N -2.33 5.47 -0.01 -2.24 3.41 -1.26 -4.60 113.62 112.06 3req n SER 494 Ca -0.00 -2.83 -0.09 0.00 -0.26 0.00 0.00 58.87 55.68 3req n SER 494 Cb 0.52 -0.67 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 3req n SER 494 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3req h GLU 495 N 3.90 0.59 -0.09 4.33 5.08 -1.95 -2.68 114.58 123.75 3req h GLU 495 Ca 0.00 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3req h GLU 495 Cb 1.87 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 3req h GLU 495 CO 0.44 0.96 -0.18 -0.24 -1.00 0.00 0.00 179.01 178.99 3req h VAL 496 N 0.46 1.18 0.00 3.13 3.04 -1.90 0.19 116.25 122.35 3req h VAL 496 Ca 0.02 -0.80 -0.16 0.00 -1.01 0.00 0.00 66.70 64.74 3req h VAL 496 Cb 1.06 1.31 -0.03 0.00 -2.01 0.00 0.00 31.29 31.63 3req h VAL 496 CO 0.10 0.24 -1.05 -0.26 -1.01 0.00 0.00 177.57 175.59 3req h PHE 497 N 0.13 0.00 0.02 3.17 0.04 -1.91 -3.03 116.94 115.36 3req h PHE 497 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3req h PHE 497 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3req h PHE 497 CO 0.00 0.65 -0.01 0.93 -0.60 0.00 0.00 178.31 179.28 3req h GLU 498 N 0.00 -0.03 -0.36 1.51 5.08 -0.87 -2.00 114.58 117.90 3req h GLU 498 Ca -0.09 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3req h GLU 498 Cb 1.58 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 3req h GLU 498 CO 0.07 0.18 0.25 1.96 -1.00 0.00 0.00 179.01 180.47 3req h GLN 499 N -0.24 0.20 0.00 2.33 4.20 -0.78 -1.76 115.11 119.06 3req h GLN 499 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3req h GLN 499 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3req h GLN 499 CO 0.01 0.14 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.75 3req h LEU 500 N 0.21 0.00 -0.10 1.46 3.38 -1.37 -3.00 115.31 115.89 3req h LEU 500 Ca 0.16 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 3req h LEU 500 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3req h LEU 500 CO -0.03 0.04 -0.94 0.24 0.09 0.00 0.00 178.44 177.84 3req h MET 501 N 0.00 0.66 -0.38 1.13 2.86 -0.83 -3.22 114.93 115.15 3req h MET 501 Ca 0.00 -0.65 -0.10 0.00 -2.06 0.00 0.00 59.70 56.89 3req h MET 501 Cb 0.86 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3req h MET 501 CO 0.00 1.25 -0.19 -0.44 1.06 0.00 0.00 176.91 178.59 3req h ASP 502 N 0.40 0.73 -0.52 1.22 3.32 -1.37 -2.34 116.42 117.86 3req h ASP 502 Ca -0.09 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3req h ASP 502 Cb 1.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 3req h ASP 502 CO 0.18 0.92 0.25 0.03 -1.72 0.00 0.00 179.24 178.90 3req h ARG 503 N 0.65 0.75 0.00 3.56 3.08 -1.59 -2.49 114.38 118.34 3req h ARG 503 Ca 0.10 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3req h ARG 503 Cb 0.68 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3req h ARG 503 CO 0.05 0.62 0.00 0.77 -1.07 0.00 0.00 179.97 180.34 3req h SER 504 N 0.70 0.00 0.76 7.04 0.02 -1.53 -3.33 113.55 117.21 3req h SER 504 Ca 0.18 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.91 3req h SER 504 Cb 0.12 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3req h SER 504 CO -0.02 0.00 -1.35 0.71 -1.14 0.00 0.00 176.83 175.02 3req h THR 505 N 0.00 0.93 -0.39 -2.27 1.35 -0.96 -3.39 112.91 108.18 3req h THR 505 Ca 0.00 -2.61 0.08 0.00 -0.55 0.00 0.00 66.41 63.33 3req h THR 505 Cb 0.60 2.40 -0.08 0.00 -1.73 0.00 0.00 68.15 69.34 3req h THR 505 CO 0.00 0.53 -0.11 0.77 -0.25 0.00 0.00 175.52 176.46 3req h SER 506 N 0.00 -0.40 -4.15 5.36 4.64 -1.63 -3.41 113.55 113.97 3req h SER 506 Ca -0.17 0.12 -0.50 0.00 -0.47 0.00 0.00 61.79 60.78 3req h SER 506 Cb 1.78 0.26 0.08 0.00 -0.31 0.00 0.00 62.40 64.21 3req h SER 506 CO 0.08 -0.14 0.40 0.54 -0.87 0.00 0.00 176.83 176.83 3req s VAL 507 N -6.21 3.35 0.05 0.95 0.11 -1.26 -4.98 120.40 112.41 3req s VAL 507 Ca -0.14 0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 59.48 3req s VAL 507 Cb 0.14 -3.25 -0.28 0.00 -1.53 0.00 0.00 36.38 31.47 3req s VAL 507 CO 0.71 -0.30 1.11 0.77 -3.33 0.00 0.00 175.10 174.06 3req h SER 508 N 0.66 0.84 -3.37 3.54 4.64 -1.90 -3.43 113.55 114.53 3req h SER 508 Ca -0.48 -0.81 -0.56 0.00 -0.47 0.00 0.00 61.79 59.47 3req h SER 508 Cb 1.25 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 3req h SER 508 CO 0.56 1.56 0.11 -1.83 -0.87 0.00 0.00 176.83 176.36 3req s GLU 509 N -3.04 4.45 0.14 4.77 1.03 -1.26 -5.02 118.70 119.76 3req s GLU 509 Ca -0.10 0.93 -0.30 0.00 0.03 0.00 0.00 54.97 55.53 3req s GLU 509 Cb 0.05 -3.43 -0.07 0.00 -0.80 0.00 0.00 34.13 29.88 3req s GLU 509 CO 0.92 0.10 1.08 1.03 -1.33 0.00 0.00 175.26 177.05 3req s ARG 510 N 0.67 4.60 0.50 -4.83 1.81 -1.26 -4.99 118.95 115.45 3req s ARG 510 Ca 0.38 1.65 -0.17 0.00 -1.72 0.00 0.00 55.73 55.87 3req s ARG 510 Cb -0.18 -3.31 -0.15 0.00 -0.45 0.00 0.00 34.95 30.86 3req s ARG 510 CO 0.19 0.06 -0.13 -2.30 -0.68 0.00 0.00 175.30 172.44 3req n PRO 511 N 2.70 0.00 -4.11 3.54 -0.02 -1.26 -4.64 135.00 131.20 3req n PRO 511 Ca 0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.41 3req n PRO 511 Cb 0.47 -0.97 -0.11 0.00 -0.02 0.00 0.00 33.50 32.88 3req n PRO 511 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3req s LYS 512 N -0.99 0.66 -0.08 -0.52 1.02 -1.26 0.01 119.74 118.58 3req s LYS 512 Ca 0.55 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 3req s LYS 512 Cb -0.48 -0.14 0.04 0.00 -0.52 0.00 0.00 37.83 36.74 3req s LYS 512 CO 0.64 -0.01 0.14 0.08 -0.92 0.00 0.00 175.35 175.28 3req s VAL 513 N -2.77 -0.22 -0.06 3.17 1.01 -0.92 -4.71 120.40 115.90 3req s VAL 513 Ca 0.02 0.36 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 3req s VAL 513 Cb -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3req s VAL 513 CO -0.04 0.14 0.76 0.12 0.00 0.00 0.00 175.10 176.08 3req s PHE 514 N 2.26 3.58 -0.34 5.22 5.36 -0.84 -3.63 117.98 129.60 3req s PHE 514 Ca 0.04 1.33 -0.13 0.00 -0.96 0.00 0.00 56.93 57.20 3req s PHE 514 Cb -0.12 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 3req s PHE 514 CO -0.05 0.05 0.26 -0.51 -1.46 0.00 0.00 175.22 173.51 3req s LEU 515 N 0.92 4.52 -0.77 6.12 1.43 -0.17 -0.29 118.68 130.43 3req s LEU 515 Ca 0.40 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 3req s LEU 515 Cb -0.18 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 43.94 3req s LEU 515 CO 0.19 -0.25 1.14 0.00 0.23 0.00 0.00 176.35 177.66 3req s ALA 516 N 1.76 3.00 -0.55 4.21 0.00 0.87 -3.37 121.76 127.68 3req s ALA 516 Ca 0.07 -1.90 -0.22 0.00 0.00 0.00 0.00 51.96 49.91 3req s ALA 516 Cb -0.17 -4.08 0.05 0.00 0.00 0.00 0.00 23.12 18.91 3req s ALA 516 CO 0.11 -3.06 0.85 0.00 0.00 0.00 0.00 175.76 173.66 3req s LEU 518 N 3.54 3.86 0.00 0.00 1.02 -0.39 -4.63 118.68 122.08 3req s LEU 518 Ca 0.25 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.37 3req s LEU 518 Cb -0.15 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.51 3req s LEU 518 CO 0.16 -1.01 0.00 0.61 0.02 0.00 0.00 176.35 176.13 3req n GLY 519 N 4.18 -2.07 3.15 -3.19 0.00 -1.26 -4.47 105.19 101.53 3req n GLY 519 Ca 0.13 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 3req n GLY 519 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3req n THR 520 N -2.33 0.10 -0.24 2.61 -2.24 -1.26 -4.59 114.28 106.33 3req n THR 520 Ca 0.00 -0.41 0.22 0.00 -2.27 0.00 0.00 64.05 61.60 3req n THR 520 Cb 0.27 -0.21 0.57 0.00 -2.10 0.00 0.00 70.33 68.86 3req n THR 520 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3req h ARG 521 N -1.05 0.28 0.00 -0.78 9.65 -1.93 -2.78 114.38 117.78 3req h ARG 521 Ca -0.44 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3req h ARG 521 Cb 1.31 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3req h ARG 521 CO 0.28 0.19 -0.43 0.54 2.80 0.00 0.00 179.97 183.35 3req n ARG 522 N -4.46 0.25 -0.07 0.20 3.00 -1.26 -1.99 116.66 112.33 3req n ARG 522 Ca 0.20 0.11 -0.19 0.00 -0.01 0.00 0.00 57.85 57.96 3req n ARG 522 Cb 0.81 -1.70 -0.12 0.00 0.00 0.00 0.00 32.46 31.44 3req n ARG 522 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 3req h ASP 523 N 0.00 0.07 0.67 0.55 2.03 -1.84 -3.40 116.42 114.50 3req h ASP 523 Ca 0.00 -0.72 -0.26 0.00 -0.73 0.00 0.00 57.03 55.32 3req h ASP 523 Cb 0.72 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 39.17 3req h ASP 523 CO 0.00 1.37 -1.38 2.19 -1.03 0.00 0.00 179.24 180.39 3req h PHE 524 N -0.87 0.15 0.00 4.15 -5.15 -1.61 -3.19 116.94 110.42 3req h PHE 524 Ca -0.24 -0.11 0.00 0.00 -0.20 0.00 0.00 57.97 57.42 3req h PHE 524 Cb 1.30 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.46 3req h PHE 524 CO 0.16 1.12 0.00 0.41 -2.00 0.00 0.00 178.31 178.00 3req n GLY 525 N 1.51 0.00 0.19 6.09 0.00 -0.84 -0.85 105.19 111.29 3req n GLY 525 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3req n GLY 525 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3req h GLY 526 N 0.00 0.00 1.12 -0.02 0.00 -1.87 -2.85 103.07 99.45 3req h GLY 526 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 3req h GLY 526 CO 0.00 0.00 -1.62 3.21 0.00 0.00 0.00 176.54 178.13 3req h ARG 527 N 0.00 0.24 -0.45 4.80 -0.00 -1.30 -3.17 114.38 114.49 3req h ARG 527 Ca -0.00 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.98 59.06 3req h ARG 527 Cb 0.93 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 31.04 3req h ARG 527 CO 0.04 1.08 0.23 1.49 0.00 0.00 0.00 179.97 182.82 3req h GLU 528 N 0.07 0.64 0.00 0.04 4.22 -1.51 -2.36 114.58 115.68 3req h GLU 528 Ca -0.27 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.08 3req h GLU 528 Cb 2.02 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 3req h GLU 528 CO 0.15 0.53 -0.00 0.78 -2.18 0.00 0.00 179.01 178.29 3req h GLY 529 N 0.59 0.00 0.56 1.92 0.00 -1.63 -2.19 103.07 102.32 3req h GLY 529 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.22 3req h GLY 529 CO -0.02 0.00 -1.91 0.33 0.00 0.00 0.00 176.54 174.94 3req n PHE 530 N -3.55 0.57 -0.03 5.60 -0.00 -1.13 -4.55 117.46 114.37 3req n PHE 530 Ca -0.03 0.20 -0.20 0.00 -0.00 0.00 0.00 57.45 57.42 3req n PHE 530 Cb 0.08 -1.05 -0.13 0.00 -0.00 0.00 0.00 39.48 38.38 3req n PHE 530 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3req h SER 531 N 0.00 0.24 -0.28 -2.13 0.02 -1.04 -3.31 113.55 107.04 3req h SER 531 Ca -0.33 -0.81 0.06 0.00 -0.84 0.00 0.00 61.79 59.87 3req h SER 531 Cb 1.93 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 64.31 3req h SER 531 CO 0.05 1.46 -0.33 0.28 -1.14 0.00 0.00 176.83 177.14 3req h SER 532 N -0.59 -1.07 -1.06 3.07 0.02 -1.66 0.12 113.55 112.38 3req h SER 532 Ca -0.24 0.17 0.28 0.00 -0.84 0.00 0.00 61.79 61.16 3req h SER 532 Cb 1.51 0.48 -0.07 0.00 0.14 0.00 0.00 62.40 64.46 3req h SER 532 CO -0.00 -0.34 0.71 1.55 -1.14 0.00 0.00 176.83 177.61 3req h PRO 533 N -0.32 0.24 -0.39 3.45 0.13 -1.80 -1.71 132.00 131.60 3req h PRO 533 Ca 0.14 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 3req h PRO 533 Cb 0.54 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3req h PRO 533 CO -0.46 0.16 -0.14 0.28 -0.23 0.00 0.00 178.00 177.60 3req h VAL 534 N 0.24 1.26 -0.22 1.56 2.07 -0.84 -3.23 116.25 117.09 3req h VAL 534 Ca 0.56 -1.19 -0.21 0.00 0.82 0.00 0.00 66.70 66.69 3req h VAL 534 Cb 1.72 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3req h VAL 534 CO -0.18 0.40 -0.67 -0.50 0.02 0.00 0.00 177.57 176.64 3req h TRP 535 N 0.64 1.10 0.00 1.57 -0.00 -1.34 -3.28 115.95 114.64 3req h TRP 535 Ca 0.11 -0.44 0.00 0.00 -0.00 0.00 0.00 58.89 58.56 3req h TRP 535 Cb 0.61 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 3req h TRP 535 CO 0.03 1.27 0.00 0.72 -0.00 0.00 0.00 178.44 180.46 3req n HIS 536 N -3.97 0.04 -0.07 0.49 8.25 -0.78 -2.26 115.22 116.93 3req n HIS 536 Ca -0.06 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.28 3req n HIS 536 Cb 0.69 -0.53 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3req n HIS 536 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3req h ILE 537 N 0.00 1.32 -0.00 1.59 2.04 -1.61 -3.20 117.51 117.64 3req h ILE 537 Ca 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3req h ILE 537 Cb 0.17 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3req h ILE 537 CO 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 178.15 178.50 3req n ALA 538 N -2.52 2.81 -0.87 1.87 0.00 -0.96 -4.53 120.51 116.32 3req n ALA 538 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3req n ALA 538 Cb 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3req n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 539 N 1.35 0.96 3.64 0.00 0.00 -1.21 -3.50 105.19 106.43 3req n GLY 539 Ca 0.12 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3req n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3req s ILE 540 N -2.00 5.11 0.65 -0.61 1.01 -1.13 -4.57 121.20 119.67 3req s ILE 540 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 3req s ILE 540 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3req s ILE 540 CO 0.00 0.15 1.05 -1.81 0.00 0.00 0.00 174.94 174.34 3req s ASP 541 N 1.32 5.61 -0.45 3.58 1.11 0.10 -3.92 116.67 124.02 3req s ASP 541 Ca 0.21 1.66 0.06 0.00 0.18 0.00 0.00 52.55 54.66 3req s ASP 541 Cb -0.15 -2.50 0.21 0.00 1.07 0.00 0.00 42.92 41.55 3req s ASP 541 CO 0.09 -1.29 0.63 0.35 1.18 0.00 0.00 175.17 176.14 3req n THR 542 N -2.72 -0.46 -1.70 -1.27 -2.24 -1.26 -2.15 114.28 102.48 3req n THR 542 Ca 0.08 -2.45 -0.34 0.00 -2.27 0.00 0.00 64.05 59.06 3req n THR 542 Cb 0.53 -0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3req n THR 542 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3req s PRO 543 N 0.12 2.56 0.24 -0.78 0.04 -1.24 -4.72 135.00 131.22 3req s PRO 543 Ca 0.33 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 3req s PRO 543 Cb 0.12 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3req s PRO 543 CO -0.15 -1.49 0.32 1.14 0.04 0.00 0.00 177.00 176.86 3req s GLN 544 N -3.77 1.44 -0.03 4.56 -2.07 -1.26 -1.00 119.66 117.52 3req s GLN 544 Ca 0.73 -1.48 0.03 0.00 -1.82 0.00 0.00 55.36 52.82 3req s GLN 544 Cb -0.27 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 3req s GLN 544 CO 0.40 -0.55 -0.11 0.14 -1.32 0.00 0.00 175.29 173.85 3req s VAL 545 N -3.98 0.97 -0.63 3.63 -7.23 -1.22 -4.99 120.40 106.95 3req s VAL 545 Ca 0.31 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 3req s VAL 545 Cb 0.03 -0.86 0.33 0.00 0.56 0.00 0.00 36.38 36.44 3req s VAL 545 CO 0.12 0.30 1.03 -0.62 -0.31 0.00 0.00 175.10 175.62 3req n GLU 546 N 3.33 3.44 -0.53 4.82 1.02 -1.26 -3.17 120.64 128.30 3req n GLU 546 Ca -0.19 -4.84 0.00 0.00 -0.02 0.00 0.00 57.16 52.11 3req n GLU 546 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3req n GLU 546 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3req n THR 549 N -0.17 -0.71 1.35 2.62 -2.24 -1.26 -4.61 114.28 109.26 3req n THR 549 Ca 0.33 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 3req n THR 549 Cb 0.38 -1.42 0.37 0.00 -2.10 0.00 0.00 70.33 67.56 3req n THR 549 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3req n THR 550 N -0.15 0.20 -1.16 4.28 -1.04 -1.26 -3.39 114.28 111.75 3req n THR 550 Ca 0.00 -0.29 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 3req n THR 550 Cb 0.00 0.22 0.06 0.00 -1.82 0.00 0.00 70.33 68.79 3req n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3req n ALA 551 N 0.12 2.01 0.07 2.41 0.00 -1.26 -4.38 120.51 119.47 3req n ALA 551 Ca 0.15 -1.67 0.05 0.00 0.00 0.00 0.00 53.44 51.96 3req n ALA 551 Cb 0.27 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 3req n ALA 551 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3req n GLU 552 N -0.72 0.89 0.04 0.00 1.02 -1.22 -3.92 120.64 116.73 3req n GLU 552 Ca 0.07 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3req n GLU 552 Cb 0.58 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.69 3req n GLU 552 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3req h ILE 553 N 0.00 1.23 0.08 -3.67 2.04 -1.79 -2.85 117.51 112.56 3req h ILE 553 Ca 0.00 -2.94 -0.14 0.00 1.00 0.00 0.00 64.86 62.78 3req h ILE 553 Cb 0.39 2.70 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 3req h ILE 553 CO 0.00 0.79 -0.65 0.58 0.00 0.00 0.00 178.15 178.86 3req h VAL 554 N 0.03 1.50 0.00 1.67 2.07 -1.78 -3.19 116.25 116.55 3req h VAL 554 Ca -0.19 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 3req h VAL 554 Cb 1.95 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 34.85 3req h VAL 554 CO 0.13 0.65 -0.21 -0.08 0.02 0.00 0.00 177.57 178.08 3req h GLU 555 N -0.61 0.00 0.00 1.57 4.57 -1.68 -1.69 114.58 116.74 3req h GLU 555 Ca -0.13 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 3req h GLU 555 Cb 1.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 3req h GLU 555 CO 0.06 0.21 -0.58 0.00 -1.18 0.00 0.00 179.01 177.53 3req h ALA 556 N 1.79 0.74 0.00 2.92 0.00 -1.67 -3.14 119.26 119.89 3req h ALA 556 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3req h ALA 556 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3req h ALA 556 CO 0.03 0.36 -0.75 0.35 0.00 0.00 0.00 179.25 179.24 3req h PHE 557 N 0.00 0.00 0.23 0.00 3.04 -1.38 -0.57 116.94 118.26 3req h PHE 557 Ca -0.03 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.58 3req h PHE 557 Cb 1.22 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.76 3req h PHE 557 CO 0.00 0.00 -1.56 -0.22 -2.02 0.00 0.00 178.31 174.51 3req h LYS 558 N 0.00 0.48 -0.27 1.11 3.11 -1.43 -3.24 116.57 116.33 3req h LYS 558 Ca 0.00 -0.83 -0.03 0.00 -2.81 0.00 0.00 60.65 56.98 3req h LYS 558 Cb 0.89 0.31 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3req h LYS 558 CO 0.00 1.40 0.03 -0.22 -2.81 0.00 0.00 179.45 177.85 3req h LYS 559 N 0.11 0.45 0.10 1.90 1.63 -1.61 -3.28 116.57 115.87 3req h LYS 559 Ca -0.29 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.40 3req h LYS 559 Cb 2.13 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.67 3req h LYS 559 CO 0.24 0.58 -0.23 0.66 -3.45 0.00 0.00 179.45 177.25 3req h SER 560 N 0.26 -0.66 0.00 4.20 4.64 -1.20 -3.47 113.55 117.32 3req h SER 560 Ca 0.08 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3req h SER 560 Cb 0.35 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3req h SER 560 CO 0.01 -0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.26 3req n GLY 561 N -1.35 1.10 3.77 -0.77 0.00 -1.22 -5.08 105.19 101.64 3req n GLY 561 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3req n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req s ALA 562 N -2.00 3.21 -0.18 4.61 0.00 -1.26 -4.95 121.76 121.19 3req s ALA 562 Ca 0.00 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.10 3req s ALA 562 Cb 0.00 -3.35 -0.24 0.00 0.00 0.00 0.00 23.12 19.53 3req s ALA 562 CO 0.00 -0.40 0.65 1.04 0.00 0.00 0.00 175.76 177.05 3req n GLN 563 N 0.31 0.57 -4.52 0.00 6.02 -1.26 -4.64 117.38 113.85 3req n GLN 563 Ca 0.03 -0.11 -0.25 0.00 -0.01 0.00 0.00 57.00 56.66 3req n GLN 563 Cb 0.46 -1.58 -0.14 0.00 1.02 0.00 0.00 30.24 30.01 3req n GLN 563 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3req s VAL 564 N -3.43 1.69 0.03 5.09 1.01 -1.26 0.07 120.40 123.60 3req s VAL 564 Ca -0.05 -1.32 -0.00 0.00 0.00 0.00 0.00 61.98 60.61 3req s VAL 564 Cb 0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3req s VAL 564 CO 0.88 0.12 -0.03 0.00 0.00 0.00 0.00 175.10 176.06 3req s ALA 565 N -0.92 0.23 -0.15 5.51 0.00 -1.22 -1.99 121.76 123.23 3req s ALA 565 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3req s ALA 565 Cb -0.09 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3req s ALA 565 CO 0.03 -0.21 -0.18 0.34 0.00 0.00 0.00 175.76 175.74 3req s ASP 566 N -1.84 2.84 -0.41 0.00 -1.08 0.61 0.45 116.67 117.24 3req s ASP 566 Ca -0.10 -0.54 -0.29 0.00 -0.52 0.00 0.00 52.55 51.10 3req s ASP 566 Cb -0.05 -1.29 0.02 0.00 -1.46 0.00 0.00 42.92 40.13 3req s ASP 566 CO -0.03 0.00 1.22 -0.76 0.52 0.00 0.00 175.17 176.12 3req s LEU 567 N 1.19 3.71 -0.25 -1.34 2.01 0.15 -0.09 118.68 124.06 3req s LEU 567 Ca 0.00 0.77 0.02 0.00 0.01 0.00 0.00 54.13 54.93 3req s LEU 567 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.57 3req s LEU 567 CO -0.08 -1.20 -0.12 0.00 1.01 0.00 0.00 176.35 175.96 3req n SER 569 N 4.47 -0.21 -4.90 0.00 2.88 -1.26 -1.26 113.62 113.34 3req n SER 569 Ca -0.15 -1.11 -0.20 0.00 -1.33 0.00 0.00 58.87 56.07 3req n SER 569 Cb 0.43 0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 64.20 3req n SER 569 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3req s SER 570 N -1.27 5.55 0.23 -3.46 1.04 -1.20 -4.78 113.70 109.80 3req s SER 570 Ca 0.02 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.94 3req s SER 570 Cb -0.00 -1.10 0.28 0.00 0.10 0.00 0.00 66.02 65.29 3req s SER 570 CO 0.01 -0.35 1.58 0.00 0.98 0.00 0.00 173.24 175.46 3req h ALA 571 N 1.15 0.34 -0.71 5.32 0.00 -1.93 -1.74 119.26 121.69 3req h ALA 571 Ca -0.45 0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.88 3req h ALA 571 Cb 1.25 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 19.64 3req h ALA 571 CO 0.57 -0.50 -0.08 -0.22 0.00 0.00 0.00 179.25 179.01 3req h LYS 572 N -0.04 0.05 -0.00 0.00 3.64 -1.97 -1.95 116.57 116.29 3req h LYS 572 Ca 0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3req h LYS 572 Cb 0.59 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3req h LYS 572 CO -0.83 0.03 -0.35 0.28 -2.27 0.00 0.00 179.45 176.32 3req n VAL 573 N -5.39 0.00 0.04 2.00 0.31 -0.78 -3.29 118.33 111.22 3req n VAL 573 Ca 0.11 -0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.17 3req n VAL 573 Cb 0.40 0.26 -0.14 0.00 -0.91 0.00 0.00 33.84 33.45 3req n VAL 573 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3req h TYR 574 N 0.54 0.58 -0.13 3.52 0.05 -0.86 0.40 116.97 121.06 3req h TYR 574 Ca 0.00 -0.42 -0.08 0.00 0.05 0.00 0.00 58.73 58.28 3req h TYR 574 Cb 0.49 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 3req h TYR 574 CO 0.00 1.68 -0.22 0.00 -1.05 0.00 0.00 178.16 178.56 3req h ALA 575 N 0.16 0.20 -3.00 3.88 0.00 -1.29 -1.31 119.26 117.90 3req h ALA 575 Ca -0.37 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3req h ALA 575 Cb 2.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3req h ALA 575 CO 0.14 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.59 3req n GLN 576 N -4.48 0.00 -0.19 0.00 6.02 -1.21 -4.56 117.38 112.96 3req n GLN 576 Ca -0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.04 3req n GLN 576 Cb 0.42 -0.93 0.21 0.00 1.02 0.00 0.00 30.24 30.97 3req n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3req n GLN 577 N -0.43 2.51 0.30 -1.09 6.02 0.10 -4.68 117.38 120.11 3req n GLN 577 Ca 0.00 -2.30 0.17 0.00 -0.01 0.00 0.00 57.00 54.87 3req n GLN 577 Cb 0.00 -1.51 0.95 0.00 1.02 0.00 0.00 30.24 30.69 3req n GLN 577 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3req h GLY 578 N 4.44 0.00 0.30 1.08 0.00 -0.93 -3.29 103.07 104.67 3req h GLY 578 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3req h GLY 578 CO 0.00 0.00 -1.76 -0.10 0.00 0.00 0.00 176.54 174.68 3req n LEU 579 N -3.44 0.25 0.28 3.11 7.94 -1.26 -2.66 117.00 121.22 3req n LEU 579 Ca -0.02 0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.86 3req n LEU 579 Cb 0.15 0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.07 3req n LEU 579 CO 0.26 0.01 0.52 -0.08 -1.11 0.00 0.00 177.39 176.98 3req h GLU 580 N 0.00 -0.73 -0.08 1.96 4.81 -1.91 -1.18 114.58 117.45 3req h GLU 580 Ca -0.06 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3req h GLU 580 Cb 1.14 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 3req h GLU 580 CO 0.01 -0.48 -0.29 0.28 -0.73 0.00 0.00 179.01 177.79 3req h VAL 581 N -0.75 0.35 0.29 0.32 2.07 -1.74 0.44 116.25 117.22 3req h VAL 581 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3req h VAL 581 Cb 0.60 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3req h VAL 581 CO 0.08 0.00 -0.52 0.00 0.02 0.00 0.00 177.57 177.15 3req h ALA 582 N 0.45 -1.07 -0.57 1.67 0.00 -1.48 0.40 119.26 118.65 3req h ALA 582 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3req h ALA 582 Cb 0.51 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3req h ALA 582 CO -0.30 -1.16 0.32 1.57 0.00 0.00 0.00 179.25 179.68 3req h LYS 583 N -0.87 0.61 0.48 0.00 2.10 -1.05 0.38 116.57 118.20 3req h LYS 583 Ca -0.03 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 3req h LYS 583 Cb 0.82 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 3req h LYS 583 CO -0.19 0.40 -0.36 0.00 -2.00 0.00 0.00 179.45 177.30 3req h ALA 584 N 1.27 -1.11 0.28 0.07 0.00 0.22 -2.76 119.26 117.23 3req h ALA 584 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3req h ALA 584 Cb 0.09 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3req h ALA 584 CO -0.13 -1.10 -0.48 -0.07 0.00 0.00 0.00 179.25 177.47 3req h LEU 585 N -0.80 -1.37 0.00 0.00 3.38 -0.95 -3.27 115.31 112.30 3req h LEU 585 Ca -0.06 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3req h LEU 585 Cb 0.67 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3req h LEU 585 CO 0.02 -0.58 0.00 0.29 0.09 0.00 0.00 178.44 178.26 3req n LYS 586 N -5.51 0.00 -3.39 1.13 4.76 0.13 -0.69 118.16 114.59 3req n LYS 586 Ca -0.10 0.03 -0.45 0.00 -2.87 0.00 0.00 58.31 54.93 3req n LYS 586 Cb 0.42 -0.05 -0.02 0.00 -1.84 0.00 0.00 35.03 33.54 3req n LYS 586 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3req s ALA 587 N -0.90 4.27 0.00 7.82 0.00 -1.20 -4.05 121.76 127.70 3req s ALA 587 Ca 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 51.96 48.43 3req s ALA 587 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3req s ALA 587 CO 0.00 -2.23 0.20 0.00 0.00 0.00 0.00 175.76 173.73 3req n ALA 588 N 3.38 0.42 0.00 0.00 0.00 0.13 -4.93 120.51 119.50 3req n ALA 588 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3req n ALA 588 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3req n ALA 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 589 N 0.00 3.14 0.74 0.00 0.00 -1.26 -4.99 105.19 102.82 3req n GLY 589 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 3req n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req n ALA 590 N 0.00 -0.18 -0.04 4.61 0.00 -1.26 -4.85 120.51 118.80 3req n ALA 590 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3req n ALA 590 Cb 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 3req n ALA 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3req n LYS 591 N 1.04 0.66 -4.24 0.00 5.02 0.11 -4.64 118.16 116.11 3req n LYS 591 Ca 0.08 0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 56.42 3req n LYS 591 Cb -0.01 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.17 3req n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3req s ALA 592 N -2.57 1.49 -0.20 7.82 0.00 -1.23 -5.06 121.76 122.01 3req s ALA 592 Ca -0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 3req s ALA 592 Cb 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.21 3req s ALA 592 CO 0.81 0.09 0.15 -1.17 0.00 0.00 0.00 175.76 175.65 3req s LEU 593 N -2.49 0.15 0.16 0.00 2.96 -1.26 -3.39 118.68 114.82 3req s LEU 593 Ca 0.09 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3req s LEU 593 Cb -0.04 0.03 -0.06 0.00 0.50 0.00 0.00 46.19 46.62 3req s LEU 593 CO 0.03 -0.35 0.42 -0.31 -1.32 0.00 0.00 176.35 174.82 3req s TYR 594 N 2.22 3.46 -0.01 5.38 2.02 0.17 0.38 117.35 130.97 3req s TYR 594 Ca 0.05 0.63 0.05 0.00 -0.37 0.00 0.00 57.07 57.43 3req s TYR 594 Cb -0.16 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 3req s TYR 594 CO -0.13 0.39 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.91 3req s LEU 595 N -2.71 2.04 -0.71 -1.29 2.96 -0.85 0.31 118.68 118.44 3req s LEU 595 Ca 0.43 -0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 3req s LEU 595 Cb -0.12 -0.82 0.09 0.00 0.50 0.00 0.00 46.19 45.84 3req s LEU 595 CO 0.24 0.19 0.94 -0.44 -1.32 0.00 0.00 176.35 175.96 3req s SER 596 N -0.46 6.29 0.00 3.68 0.01 -0.38 -0.78 113.70 122.05 3req s SER 596 Ca 0.06 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.97 3req s SER 596 Cb -0.06 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3req s SER 596 CO -0.00 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 172.98 3req n GLY 597 N 5.34 0.69 3.71 3.44 0.00 -0.76 -4.66 105.19 112.95 3req n GLY 597 Ca 0.01 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 3req n GLY 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req s ALA 598 N -1.07 3.84 -0.51 4.61 0.00 -1.26 -4.60 121.76 122.76 3req s ALA 598 Ca 0.00 -0.79 0.24 0.00 0.00 0.00 0.00 51.96 51.41 3req s ALA 598 Cb 0.00 0.12 0.40 0.00 0.00 0.00 0.00 23.12 23.64 3req s ALA 598 CO 0.00 -0.07 1.51 0.74 0.00 0.00 0.00 175.76 177.94 3req h PHE 599 N 1.47 0.00 -0.20 0.00 0.04 -2.00 -3.34 116.94 112.91 3req h PHE 599 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3req h PHE 599 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3req h PHE 599 CO 1.38 0.00 0.00 0.36 -0.60 0.00 0.00 178.31 179.45 3req n LYS 600 N -2.66 1.62 0.04 1.51 0.00 -1.26 -2.88 118.16 114.53 3req n LYS 600 Ca 0.04 -0.79 -0.03 0.00 -0.00 0.00 0.00 58.31 57.52 3req n LYS 600 Cb 0.49 -1.28 -0.09 0.00 -0.00 0.00 0.00 35.03 34.16 3req n LYS 600 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3req h GLU 601 N 1.22 0.00 -0.11 -1.58 5.08 -1.95 -3.33 114.58 113.91 3req h GLU 601 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3req h GLU 601 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3req h GLU 601 CO 0.03 0.53 -0.71 0.74 -1.00 0.00 0.00 179.01 178.60 3req h PHE 602 N 0.00 0.68 0.00 4.33 -1.00 -1.78 -3.10 116.94 116.07 3req h PHE 602 Ca -0.14 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3req h PHE 602 Cb 1.71 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.16 3req h PHE 602 CO 0.00 1.06 0.00 0.41 -1.61 0.00 0.00 178.31 178.17 3req n GLY 603 N 0.53 1.97 0.05 -1.45 0.00 -1.25 -4.02 105.19 101.01 3req n GLY 603 Ca -0.05 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.64 3req n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3req n ASP 604 N 4.27 0.23 -1.10 1.61 8.00 -1.26 -4.45 116.55 123.86 3req n ASP 604 Ca 0.00 0.09 0.09 0.00 0.71 0.00 0.00 54.79 55.68 3req n ASP 604 Cb 0.00 1.46 0.26 0.00 -0.02 0.00 0.00 41.12 42.82 3req n ASP 604 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3req n ASP 605 N -2.43 3.19 0.08 -2.24 8.00 -1.26 -4.71 116.55 117.17 3req n ASP 605 Ca -0.06 -2.06 0.18 0.00 0.71 0.00 0.00 54.79 53.55 3req n ASP 605 Cb 0.64 -0.40 0.70 0.00 -0.02 0.00 0.00 41.12 42.04 3req n ASP 605 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3req h ALA 606 N 4.01 2.31 0.00 2.24 0.00 -1.78 -0.47 119.26 125.57 3req h ALA 606 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3req h ALA 606 Cb 0.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3req h ALA 606 CO 0.03 -0.49 -0.99 0.00 0.00 0.00 0.00 179.25 177.80 3req n ALA 607 N -2.58 4.70 0.04 0.00 0.00 -1.26 -3.32 120.51 118.09 3req n ALA 607 Ca 0.06 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 3req n ALA 607 Cb 0.48 -0.76 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 3req n ALA 607 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3req h GLU 608 N 0.00 0.48 -0.17 0.00 4.11 -1.79 -3.32 114.58 113.88 3req h GLU 608 Ca 0.00 -0.59 -0.14 0.00 0.07 0.00 0.00 59.36 58.70 3req h GLU 608 Cb 0.50 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3req h GLU 608 CO 0.00 1.23 -0.47 0.00 0.07 0.00 0.00 179.01 179.84 3req h ALA 609 N 0.27 0.87 -0.63 1.06 0.00 -1.23 -3.19 119.26 116.41 3req h ALA 609 Ca -0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3req h ALA 609 Cb 1.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3req h ALA 609 CO 0.17 0.66 0.21 1.05 0.00 0.00 0.00 179.25 181.33 3req h GLU 610 N 0.35 0.97 0.47 0.00 -0.00 -1.65 -1.12 114.58 113.59 3req h GLU 610 Ca 0.02 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.17 3req h GLU 610 Cb 0.96 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 29.55 3req h GLU 610 CO 0.08 0.84 -0.46 1.57 -0.00 0.00 0.00 179.01 181.05 3req h LYS 611 N 0.90 -0.88 0.34 1.06 2.10 -1.65 -3.25 116.57 115.19 3req h LYS 611 Ca 0.20 0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3req h LYS 611 Cb 0.27 0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 3req h LYS 611 CO -0.01 -0.59 -0.43 -0.07 -2.00 0.00 0.00 179.45 176.35 3req h LEU 612 N -0.92 -1.20 -9.38 7.07 3.38 -1.60 -3.43 115.31 109.23 3req h LEU 612 Ca -0.06 0.11 -0.54 0.00 0.09 0.00 0.00 57.88 57.48 3req h LEU 612 Cb 0.79 0.41 0.01 0.00 0.09 0.00 0.00 40.66 41.97 3req h LEU 612 CO -0.05 -0.56 1.06 -0.63 0.09 0.00 0.00 178.44 178.35 3req s ILE 613 N -5.93 3.20 -0.87 1.22 1.01 -0.43 -4.56 121.20 114.85 3req s ILE 613 Ca -0.17 0.49 0.27 0.00 0.00 0.00 0.00 60.65 61.23 3req s ILE 613 Cb 0.06 -3.31 0.17 0.00 0.01 0.00 0.00 42.46 39.39 3req s ILE 613 CO 0.62 -0.02 1.68 0.47 0.00 0.00 0.00 174.94 177.69 3req n ASP 614 N 6.36 0.44 -3.59 3.58 8.00 0.16 -4.85 116.55 126.64 3req n ASP 614 Ca 0.17 0.30 0.02 0.00 0.71 0.00 0.00 54.79 55.99 3req n ASP 614 Cb 0.41 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3req n ASP 614 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3req s GLY 615 N -3.27 -0.42 0.36 0.44 0.00 -1.25 -4.94 107.32 98.25 3req s GLY 615 Ca 0.11 0.97 0.09 0.00 0.00 0.00 0.00 44.72 45.89 3req s GLY 615 CO 0.62 0.22 -0.03 0.50 0.00 0.00 0.00 173.10 174.40 3req s ARG 616 N -2.24 1.93 -0.15 2.90 0.52 -1.26 -2.01 118.95 118.63 3req s ARG 616 Ca 0.14 -1.94 0.02 0.00 -0.52 0.00 0.00 55.73 53.43 3req s ARG 616 Cb 0.05 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.79 3req s ARG 616 CO -0.05 0.08 -0.20 -0.51 0.02 0.00 0.00 175.30 174.63 3req s LEU 617 N -3.67 2.06 -0.04 2.53 1.43 0.04 -4.86 118.68 116.17 3req s LEU 617 Ca 0.34 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3req s LEU 617 Cb 0.04 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.87 3req s LEU 617 CO 0.18 0.04 0.33 0.72 0.23 0.00 0.00 176.35 177.85 3req s PHE 618 N 1.06 -0.24 -0.52 0.29 -0.71 -1.26 -1.83 117.98 114.76 3req s PHE 618 Ca -0.02 0.44 -0.27 0.00 -1.04 0.00 0.00 56.93 56.04 3req s PHE 618 Cb -0.14 0.12 -0.09 0.00 -1.21 0.00 0.00 43.02 41.69 3req s PHE 618 CO -0.07 -0.36 2.42 -0.12 -1.34 0.00 0.00 175.22 175.76 3req n MET 619 N 1.58 0.99 0.00 1.99 0.00 -1.26 -0.72 117.12 119.70 3req n MET 619 Ca -0.20 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.57 3req n MET 619 Cb 0.56 -3.10 0.00 0.00 0.00 0.00 0.00 33.22 30.68 3req n MET 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3req n GLY 620 N 6.09 1.12 3.60 -5.12 0.00 -1.26 -5.13 105.19 104.49 3req n GLY 620 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 3req n GLY 620 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3req s MET 621 N 0.00 0.09 -0.03 1.61 0.00 0.10 -4.87 119.30 116.20 3req s MET 621 Ca 0.00 0.86 -0.21 0.00 0.00 0.00 0.00 55.69 56.34 3req s MET 621 Cb 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 34.83 33.11 3req s MET 621 CO 0.00 -3.05 0.61 0.34 0.00 0.00 0.00 175.02 172.92 3req s ASP 622 N -2.93 6.95 -0.19 -1.18 -1.08 -1.26 -4.28 116.67 112.70 3req s ASP 622 Ca 0.66 1.14 0.11 0.00 -0.52 0.00 0.00 52.55 53.95 3req s ASP 622 Cb -0.22 -2.37 -0.23 0.00 -1.46 0.00 0.00 42.92 38.65 3req s ASP 622 CO 0.61 0.04 0.10 1.33 0.52 0.00 0.00 175.17 177.77 3req n VAL 623 N 3.05 1.48 0.38 1.11 0.24 -0.24 -3.74 118.33 120.61 3req n VAL 623 Ca -0.06 -0.76 -0.17 0.00 -2.04 0.00 0.00 64.34 61.31 3req n VAL 623 Cb 0.51 -0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 3req n VAL 623 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3req h VAL 624 N 0.01 0.22 -0.12 3.34 2.07 -1.92 0.31 116.25 120.15 3req h VAL 624 Ca -0.51 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3req h VAL 624 Cb 2.11 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3req h VAL 624 CO 0.01 0.01 -0.49 -0.78 0.02 0.00 0.00 177.57 176.34 3req h ASP 625 N -1.09 -1.57 -0.18 0.57 3.58 -1.91 -2.00 116.42 113.83 3req h ASP 625 Ca -0.10 0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.56 3req h ASP 625 Cb 0.77 0.61 -0.03 0.00 1.72 0.00 0.00 39.33 42.40 3req h ASP 625 CO 0.16 -0.44 -0.00 0.74 -2.88 0.00 0.00 179.24 176.82 3req h THR 626 N -0.53 0.88 -0.88 2.25 2.02 -1.63 -2.78 112.91 112.23 3req h THR 626 Ca 0.03 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.24 3req h THR 626 Cb 0.62 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3req h THR 626 CO -0.39 0.01 0.58 -0.07 0.37 0.00 0.00 175.52 176.01 3req h LEU 627 N 0.06 0.91 -0.20 2.58 3.38 -0.66 -2.12 115.31 119.25 3req h LEU 627 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3req h LEU 627 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3req h LEU 627 CO -0.14 0.60 0.02 0.77 0.09 0.00 0.00 178.44 179.78 3req h SER 628 N 1.04 0.33 -0.45 -0.43 4.64 -1.28 -2.28 113.55 115.12 3req h SER 628 Ca 0.37 -0.28 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3req h SER 628 Cb 0.14 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3req h SER 628 CO -0.13 0.53 0.18 -1.28 -0.87 0.00 0.00 176.83 175.27 3req h SER 629 N 0.13 0.22 0.29 4.97 0.87 -1.25 0.34 113.55 119.12 3req h SER 629 Ca 0.06 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3req h SER 629 Cb 0.35 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3req h SER 629 CO 0.01 0.16 -0.28 0.74 -0.53 0.00 0.00 176.83 176.93 3req h THR 630 N 0.37 1.18 0.18 2.23 2.02 -1.43 -1.29 112.91 116.17 3req h THR 630 Ca 0.21 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3req h THR 630 Cb 0.18 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3req h THR 630 CO -0.19 0.27 -0.09 -0.07 0.37 0.00 0.00 175.52 175.81 3req h LEU 631 N 0.00 -0.21 -1.91 2.58 3.38 -0.75 -3.21 115.31 115.20 3req h LEU 631 Ca -0.00 -0.32 0.25 0.00 0.09 0.00 0.00 57.88 57.90 3req h LEU 631 Cb 0.50 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3req h LEU 631 CO 0.04 0.32 0.70 0.44 0.09 0.00 0.00 178.44 180.03 3req h ASP 632 N -0.87 0.00 0.60 -0.43 5.19 -0.04 0.44 116.42 121.31 3req h ASP 632 Ca -0.03 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.11 3req h ASP 632 Cb 0.52 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 3req h ASP 632 CO 0.04 0.00 -1.48 0.40 -3.12 0.00 0.00 179.24 175.08 3req h ILE 633 N 0.00 1.16 -0.06 0.35 2.04 -1.39 -3.38 117.51 116.23 3req h ILE 633 Ca 0.41 -2.91 -0.23 0.00 1.00 0.00 0.00 64.86 63.13 3req h ILE 633 Cb 1.80 2.64 0.01 0.00 -0.74 0.00 0.00 36.82 40.54 3req h ILE 633 CO -0.00 0.74 -0.89 -0.07 0.00 0.00 0.00 178.15 177.93 3req h LEU 634 N 0.03 0.75 0.00 1.44 3.38 -0.92 -3.48 115.31 116.50 3req h LEU 634 Ca -0.21 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3req h LEU 634 Cb 1.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3req h LEU 634 CO 0.12 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.60 3req n GLY 635 N 0.85 1.89 3.87 0.83 0.00 -0.87 -5.11 105.19 106.66 3req n GLY 635 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3req n GLY 635 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3req s VAL 636 N -2.00 4.82 -1.08 1.61 -7.23 -1.23 -5.04 120.40 110.24 3req s VAL 636 Ca 0.00 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 3req s VAL 636 Cb 0.00 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.24 3req s VAL 636 CO 0.00 -0.39 0.27 0.00 -0.31 0.00 0.00 175.10 174.67