#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw5 s ARG 5 N 0.00 3.98 0.83 5.31 3.00 -1.26 -4.99 118.95 125.82 3iw5 s ARG 5 Ca 0.00 1.99 -0.11 0.00 -1.00 0.00 0.00 55.73 56.61 3iw5 s ARG 5 Cb 0.00 -4.03 0.09 0.00 0.00 0.00 0.00 34.95 31.01 3iw5 s ARG 5 CO 0.00 -1.08 1.09 -2.14 0.00 0.00 0.00 175.30 173.17 3iw5 s PRO 6 N 4.41 1.79 0.10 5.12 0.02 -1.26 -4.99 135.00 140.19 3iw5 s PRO 6 Ca 0.74 0.83 -0.22 0.00 0.02 0.00 0.00 61.00 62.37 3iw5 s PRO 6 Cb -0.30 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 3iw5 s PRO 6 CO 0.30 -1.87 0.68 0.99 -0.33 0.00 0.00 177.00 176.76 3iw5 s THR 7 N -3.00 4.60 0.35 0.99 2.01 -1.26 -4.97 115.64 114.35 3iw5 s THR 7 Ca 0.62 1.46 0.07 0.00 0.31 0.00 0.00 61.69 64.16 3iw5 s THR 7 Cb -0.16 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3iw5 s THR 7 CO 0.56 0.51 0.31 -0.36 -0.69 0.00 0.00 174.62 174.94 3iw5 s PHE 8 N -0.92 2.87 -0.02 4.92 0.40 -1.26 -1.58 117.98 122.39 3iw5 s PHE 8 Ca 0.33 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 3iw5 s PHE 8 Cb -0.21 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.48 3iw5 s PHE 8 CO 0.22 0.14 0.17 1.52 0.70 0.00 0.00 175.22 177.97 3iw5 s TYR 9 N -2.33 -0.05 0.19 0.36 -0.85 -0.73 -4.90 117.35 109.04 3iw5 s TYR 9 Ca 0.42 0.08 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 3iw5 s TYR 9 Cb -0.05 -0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3iw5 s TYR 9 CO 0.27 -0.24 0.28 1.03 -1.52 0.00 0.00 175.55 175.36 3iw5 s ARG 10 N -0.96 3.32 -0.19 -3.49 0.52 -1.26 -2.66 118.95 114.23 3iw5 s ARG 10 Ca -0.10 -0.73 -0.32 0.00 -0.52 0.00 0.00 55.73 54.06 3iw5 s ARG 10 Cb -0.06 -2.86 0.15 0.00 0.52 0.00 0.00 34.95 32.70 3iw5 s ARG 10 CO 0.01 0.48 1.17 1.14 0.02 0.00 0.00 175.30 178.12 3iw5 s GLN 11 N -3.50 0.36 -0.28 3.54 -2.07 -0.74 -5.00 119.66 111.98 3iw5 s GLN 11 Ca 0.34 -0.04 -0.07 0.00 -1.82 0.00 0.00 55.36 53.77 3iw5 s GLN 11 Cb -0.10 0.17 -0.00 0.00 -1.09 0.00 0.00 33.01 31.98 3iw5 s GLN 11 CO 0.28 -0.14 0.07 -2.00 -1.32 0.00 0.00 175.29 172.18 3iw5 s GLU 12 N -1.85 3.29 -0.02 9.60 2.12 -1.26 -0.28 118.70 130.30 3iw5 s GLU 12 Ca 0.06 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.72 3iw5 s GLU 12 Cb -0.01 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 3iw5 s GLU 12 CO -0.04 -0.35 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.64 3iw5 s LEU 13 N 1.54 1.99 -0.64 2.70 1.43 0.77 -4.74 118.68 121.74 3iw5 s LEU 13 Ca 0.04 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3iw5 s LEU 13 Cb -0.16 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3iw5 s LEU 13 CO 0.03 0.19 0.38 -3.20 0.23 0.00 0.00 176.35 173.97 3iw5 n ASN 14 N 2.84 -2.48 0.00 2.29 5.15 -1.26 -0.09 115.26 121.70 3iw5 n ASN 14 Ca -0.16 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 3iw5 n ASN 14 Cb 0.54 -0.91 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 3iw5 n ASN 14 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3iw5 n LYS 15 N -2.86 0.00 -3.85 1.20 0.00 -1.26 -4.92 118.16 106.46 3iw5 n LYS 15 Ca -0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.86 3iw5 n LYS 15 Cb 0.35 -3.95 -0.09 0.00 -0.00 0.00 0.00 35.03 31.34 3iw5 n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3iw5 s THR 16 N -1.49 5.03 -0.06 0.58 2.01 0.87 -5.08 115.64 117.49 3iw5 s THR 16 Ca 0.00 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3iw5 s THR 16 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3iw5 s THR 16 CO 0.00 0.43 1.40 -0.63 -0.69 0.00 0.00 174.62 175.13 3iw5 s ILE 17 N 0.58 3.88 -0.15 1.82 -1.09 -1.26 -0.16 121.20 124.82 3iw5 s ILE 17 Ca 0.05 1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 59.62 3iw5 s ILE 17 Cb -0.12 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3iw5 s ILE 17 CO 0.01 -0.05 -0.07 0.26 -1.23 0.00 0.00 174.94 173.86 3iw5 s TRP 18 N 3.01 2.95 -0.28 3.97 0.52 0.62 -4.96 118.94 124.78 3iw5 s TRP 18 Ca 0.63 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 56.33 3iw5 s TRP 18 Cb -0.29 -1.93 0.07 0.00 -1.15 0.00 0.00 33.47 30.18 3iw5 s TRP 18 CO 0.24 -0.12 -0.05 -2.00 0.02 0.00 0.00 176.95 175.03 3iw5 s GLU 19 N 0.41 1.90 0.17 4.98 2.12 -1.26 -1.79 118.70 125.23 3iw5 s GLU 19 Ca -0.06 -1.40 0.07 0.00 0.36 0.00 0.00 54.97 53.94 3iw5 s GLU 19 Cb -0.15 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 3iw5 s GLU 19 CO 0.04 -0.68 -0.15 0.14 -0.54 0.00 0.00 175.26 174.07 3iw5 s VAL 20 N 1.12 1.64 0.80 3.70 -7.23 -1.09 -4.59 120.40 114.75 3iw5 s VAL 20 Ca -0.03 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 3iw5 s VAL 20 Cb -0.19 -1.85 0.08 0.00 0.56 0.00 0.00 36.38 34.98 3iw5 s VAL 20 CO -0.07 -0.47 1.14 -2.84 -0.31 0.00 0.00 175.10 172.56 3iw5 s PRO 21 N -3.14 1.80 0.30 4.82 0.02 -1.26 -1.77 135.00 135.77 3iw5 s PRO 21 Ca 0.17 1.49 0.05 0.00 0.02 0.00 0.00 61.00 62.73 3iw5 s PRO 21 Cb -0.03 -1.82 0.47 0.00 0.02 0.00 0.00 34.50 33.14 3iw5 s PRO 21 CO 0.05 -2.04 1.74 0.93 -0.33 0.00 0.00 177.00 177.36 3iw5 h GLU 22 N -1.09 0.36 -1.58 5.54 5.08 -1.64 -2.51 114.58 118.74 3iw5 h GLU 22 Ca -0.45 -0.14 0.50 0.00 -1.00 0.00 0.00 59.36 58.27 3iw5 h GLU 22 Cb 1.26 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 3iw5 h GLU 22 CO 0.47 0.63 1.07 0.07 -1.00 0.00 0.00 179.01 180.25 3iw5 h ARG 23 N 0.31 0.03 -4.64 2.33 0.11 -1.92 -3.37 114.38 107.23 3iw5 h ARG 23 Ca 0.04 -0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.41 3iw5 h ARG 23 Cb 0.69 -0.01 -0.20 0.00 1.11 0.00 0.00 29.97 31.56 3iw5 h ARG 23 CO 0.05 0.02 -0.29 0.71 0.10 0.00 0.00 179.97 180.55 3iw5 s TYR 24 N -5.11 3.20 0.49 4.08 1.51 -0.95 0.02 117.35 120.59 3iw5 s TYR 24 Ca -0.06 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 55.49 3iw5 s TYR 24 Cb 0.29 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.27 3iw5 s TYR 24 CO 0.85 -0.70 0.31 -0.65 -1.11 0.00 0.00 175.55 174.25 3iw5 s GLN 25 N 1.92 2.28 -1.57 -0.62 -1.52 -0.10 -4.78 119.66 115.28 3iw5 s GLN 25 Ca 0.08 -1.95 -0.11 0.00 -1.95 0.00 0.00 55.36 51.44 3iw5 s GLN 25 Cb -0.19 -2.06 0.09 0.00 -0.22 0.00 0.00 33.01 30.63 3iw5 s GLN 25 CO 0.11 -0.42 0.68 0.09 -0.25 0.00 0.00 175.29 175.50 3iw5 n ASN 26 N -1.57 -2.42 -4.71 5.90 3.02 -1.26 -1.46 115.26 112.76 3iw5 n ASN 26 Ca -0.02 -0.97 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 3iw5 n ASN 26 Cb 0.64 -3.05 -0.03 0.00 -0.61 0.00 0.00 39.78 36.73 3iw5 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iw5 n LEU 27 N -4.44 3.81 -3.70 3.41 4.32 -1.26 -4.47 117.00 114.67 3iw5 n LEU 27 Ca -0.07 1.07 -0.17 0.00 -0.02 0.00 0.00 56.01 56.82 3iw5 n LEU 27 Cb 0.57 -1.54 -0.16 0.00 -1.62 0.00 0.00 43.42 40.67 3iw5 n LEU 27 CO 0.80 0.07 -0.29 -0.55 -1.22 0.00 0.00 177.39 176.20 3iw5 s SER 28 N 1.06 0.63 0.29 -1.43 0.15 0.28 -4.98 113.70 109.70 3iw5 s SER 28 Ca 0.75 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 3iw5 s SER 28 Cb -0.55 0.07 -0.11 0.00 -1.71 0.00 0.00 66.02 63.72 3iw5 s SER 28 CO 0.35 -0.21 1.53 -2.84 1.20 0.00 0.00 173.24 173.26 3iw5 s PRO 29 N 1.87 4.17 0.00 5.44 0.02 -1.26 -0.41 135.00 144.83 3iw5 s PRO 29 Ca -0.00 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3iw5 s PRO 29 Cb -0.12 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3iw5 s PRO 29 CO -0.04 -0.55 0.00 1.33 -0.33 0.00 0.00 177.00 177.41 3iw5 n VAL 30 N 1.94 0.00 0.00 3.83 0.24 -0.21 -4.84 118.33 119.29 3iw5 n VAL 30 Ca 0.07 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3iw5 n VAL 30 Cb 0.38 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 3iw5 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iw5 n GLY 31 N 0.95 0.46 3.89 7.63 0.00 -1.22 -5.02 105.19 111.88 3iw5 n GLY 31 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 3iw5 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iw5 s SER 32 N -4.00 6.49 0.00 1.61 0.01 -1.26 -3.04 113.70 113.51 3iw5 s SER 32 Ca 0.00 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.09 3iw5 s SER 32 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 3iw5 s SER 32 CO 0.00 -0.22 0.00 -1.22 0.41 0.00 0.00 173.24 172.21 3iw5 n TYR 35 N -0.89 0.00 0.00 2.43 4.01 -1.26 -4.61 117.16 116.83 3iw5 n TYR 35 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3iw5 n TYR 35 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 3iw5 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iw5 n GLY 36 N 0.00 1.14 3.09 2.72 0.00 -1.23 -4.47 105.19 106.44 3iw5 n GLY 36 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3iw5 n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iw5 s SER 37 N 0.01 1.14 -0.06 1.61 1.04 -1.04 -4.95 113.70 111.46 3iw5 s SER 37 Ca 0.00 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.96 3iw5 s SER 37 Cb 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.11 3iw5 s SER 37 CO 0.00 -0.10 -0.14 -0.69 0.98 0.00 0.00 173.24 173.28 3iw5 s VAL 38 N -1.12 1.27 -0.01 5.02 1.01 -1.17 -1.05 120.40 124.34 3iw5 s VAL 38 Ca -0.05 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3iw5 s VAL 38 Cb -0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3iw5 s VAL 38 CO 0.01 0.38 -0.25 0.00 0.00 0.00 0.00 175.10 175.24 3iw5 s ALA 40 N -0.60 2.73 0.30 0.00 0.00 0.45 0.33 121.76 124.97 3iw5 s ALA 40 Ca 0.10 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 3iw5 s ALA 40 Cb -0.10 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3iw5 s ALA 40 CO -0.01 -0.86 0.75 0.00 0.00 0.00 0.00 175.76 175.65 3iw5 s ALA 41 N -2.50 -1.13 -0.12 0.00 0.00 0.77 -0.56 121.76 118.23 3iw5 s ALA 41 Ca 0.63 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3iw5 s ALA 41 Cb -0.16 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 3iw5 s ALA 41 CO 0.39 -1.03 -0.16 0.12 0.00 0.00 0.00 175.76 175.08 3iw5 s PHE 42 N -3.45 2.74 -0.62 0.00 5.36 -0.53 -0.53 117.98 120.94 3iw5 s PHE 42 Ca 0.12 -0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 55.21 3iw5 s PHE 42 Cb -0.05 -1.79 0.13 0.00 -0.34 0.00 0.00 43.02 40.96 3iw5 s PHE 42 CO 0.08 -0.24 0.66 0.34 -1.46 0.00 0.00 175.22 174.60 3iw5 s ASP 43 N 0.27 6.29 0.42 6.13 2.15 -0.09 -0.92 116.67 130.91 3iw5 s ASP 43 Ca -0.11 -1.76 0.29 0.00 0.43 0.00 0.00 52.55 51.40 3iw5 s ASP 43 Cb -0.16 -2.26 1.32 0.00 -0.30 0.00 0.00 42.92 41.52 3iw5 s ASP 43 CO 0.06 -0.95 1.88 0.71 -0.17 0.00 0.00 175.17 176.70 3iw5 h THR 44 N 5.75 0.00 0.00 1.71 1.35 -0.71 -0.10 112.91 120.92 3iw5 h THR 44 Ca -0.22 -0.26 -0.12 0.00 -0.55 0.00 0.00 66.41 65.26 3iw5 h THR 44 Cb 1.08 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3iw5 h THR 44 CO 1.03 0.00 -0.56 0.50 -0.25 0.00 0.00 175.52 176.24 3iw5 h LYS 45 N 0.00 0.00 0.00 4.72 3.11 -1.91 -3.37 116.57 119.12 3iw5 h LYS 45 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3iw5 h LYS 45 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 3iw5 h LYS 45 CO 0.00 0.56 -0.42 0.25 -2.81 0.00 0.00 179.45 177.04 3iw5 n THR 46 N -3.81 0.00 -0.83 1.00 -2.24 -0.76 -5.01 114.28 102.63 3iw5 n THR 46 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3iw5 n THR 46 Cb 0.58 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3iw5 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iw5 n GLY 47 N 1.53 0.84 3.83 3.38 0.00 -0.12 -5.06 105.19 109.59 3iw5 n GLY 47 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3iw5 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iw5 s LEU 48 N 0.00 4.48 0.48 0.99 1.43 -1.22 -4.88 118.68 119.96 3iw5 s LEU 48 Ca 0.00 1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.94 3iw5 s LEU 48 Cb 0.00 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 3iw5 s LEU 48 CO 0.00 0.30 1.12 -0.13 0.23 0.00 0.00 176.35 177.87 3iw5 s ARG 49 N -1.15 3.69 0.06 1.70 1.81 -1.26 -0.92 118.95 122.89 3iw5 s ARG 49 Ca 0.26 1.62 -0.05 0.00 -1.72 0.00 0.00 55.73 55.84 3iw5 s ARG 49 Cb -0.17 -2.25 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 3iw5 s ARG 49 CO 0.15 -0.57 0.08 0.14 -0.68 0.00 0.00 175.30 174.43 3iw5 s VAL 50 N -1.70 0.17 0.00 3.52 -7.23 0.31 -2.31 120.40 113.15 3iw5 s VAL 50 Ca 0.66 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 3iw5 s VAL 50 Cb -0.24 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3iw5 s VAL 50 CO 0.29 -0.75 -0.03 0.00 -0.31 0.00 0.00 175.10 174.30 3iw5 s ALA 51 N -3.47 3.17 -0.05 1.32 0.00 0.19 -0.17 121.76 122.76 3iw5 s ALA 51 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3iw5 s ALA 51 Cb 0.04 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3iw5 s ALA 51 CO -0.09 0.63 -0.11 0.08 0.00 0.00 0.00 175.76 176.27 3iw5 s VAL 52 N -1.05 1.03 -0.11 0.00 1.01 0.15 -1.93 120.40 119.50 3iw5 s VAL 52 Ca 0.18 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3iw5 s VAL 52 Cb -0.11 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 3iw5 s VAL 52 CO 0.09 0.32 -0.20 -0.75 0.00 0.00 0.00 175.10 174.56 3iw5 s LYS 53 N 0.45 3.16 -0.33 2.72 2.20 0.26 -1.37 119.74 126.84 3iw5 s LYS 53 Ca -0.09 -0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 54.55 3iw5 s LYS 53 Cb -0.13 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 3iw5 s LYS 53 CO 0.02 0.18 0.38 0.21 -0.36 0.00 0.00 175.35 175.78 3iw5 s LYS 54 N 0.37 3.67 0.39 4.03 2.20 -0.22 -0.47 119.74 129.72 3iw5 s LYS 54 Ca -0.16 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 3iw5 s LYS 54 Cb -0.17 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.29 3iw5 s LYS 54 CO 0.07 -0.48 1.32 -0.51 -0.36 0.00 0.00 175.35 175.39 3iw5 s LEU 55 N 2.06 4.26 -0.34 5.43 1.43 -0.20 -2.50 118.68 128.82 3iw5 s LEU 55 Ca 0.13 2.69 -0.18 0.00 -1.03 0.00 0.00 54.13 55.74 3iw5 s LEU 55 Cb -0.16 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3iw5 s LEU 55 CO 0.11 -0.80 0.51 -0.55 0.23 0.00 0.00 176.35 175.85 3iw5 s SER 56 N -0.66 6.33 -1.33 2.29 0.15 -1.26 -4.53 113.70 114.69 3iw5 s SER 56 Ca 0.55 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.23 3iw5 s SER 56 Cb -0.39 -2.27 -0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3iw5 s SER 56 CO 0.51 -0.45 0.60 0.54 1.20 0.00 0.00 173.24 175.63 3iw5 n ARG 57 N 5.72 -4.02 0.17 5.44 1.74 -1.26 -4.85 116.66 119.59 3iw5 n ARG 57 Ca -0.05 0.53 0.05 0.00 -0.77 0.00 0.00 57.85 57.61 3iw5 n ARG 57 Cb 0.49 -4.87 0.48 0.00 -1.02 0.00 0.00 32.46 27.54 3iw5 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3iw5 h PRO 58 N -1.85 0.15 -0.69 5.56 0.13 -1.82 -3.17 132.00 130.31 3iw5 h PRO 58 Ca -0.62 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.02 3iw5 h PRO 58 Cb 1.36 -0.03 -0.42 0.00 0.13 0.00 0.00 31.00 32.05 3iw5 h PRO 58 CO 0.58 0.24 -0.91 1.19 -0.23 0.00 0.00 178.00 178.87 3iw5 n PHE 59 N -4.36 2.33 0.55 1.56 3.72 -1.26 -2.16 117.46 117.84 3iw5 n PHE 59 Ca -0.01 -2.24 0.11 0.00 -0.05 0.00 0.00 57.45 55.26 3iw5 n PHE 59 Cb 0.20 -0.30 0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3iw5 n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3iw5 n GLN 60 N -0.66 0.30 -3.69 -1.08 6.02 -1.20 -4.91 117.38 112.16 3iw5 n GLN 60 Ca 0.33 0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 57.24 3iw5 n GLN 60 Cb 0.91 -1.62 -0.04 0.00 1.02 0.00 0.00 30.24 30.50 3iw5 n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iw5 s SER 61 N -4.05 -0.26 0.29 1.08 1.04 -1.26 -5.01 113.70 105.53 3iw5 s SER 61 Ca 0.04 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.09 3iw5 s SER 61 Cb 0.14 0.54 0.62 0.00 0.10 0.00 0.00 66.02 67.42 3iw5 s SER 61 CO 0.78 -0.97 1.79 0.40 0.98 0.00 0.00 173.24 176.23 3iw5 h ILE 62 N 2.26 0.79 -0.02 -1.02 2.04 -1.94 -1.01 117.51 118.62 3iw5 h ILE 62 Ca -0.31 -0.28 -0.23 0.00 1.00 0.00 0.00 64.86 65.04 3iw5 h ILE 62 Cb 1.26 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3iw5 h ILE 62 CO 0.41 0.15 -0.92 -0.29 0.00 0.00 0.00 178.15 177.50 3iw5 h ILE 63 N 0.82 1.38 -0.70 -0.67 -0.00 -1.95 0.18 117.51 116.55 3iw5 h ILE 63 Ca 0.52 -2.36 -0.07 0.00 -0.00 0.00 0.00 64.86 62.95 3iw5 h ILE 63 Cb 0.69 2.35 -0.03 0.00 -0.00 0.00 0.00 36.82 39.84 3iw5 h ILE 63 CO -0.34 0.71 0.17 0.45 -0.00 0.00 0.00 178.15 179.15 3iw5 h HIS 64 N 0.27 1.18 0.24 2.19 3.86 -1.69 -1.84 115.15 119.37 3iw5 h HIS 64 Ca -0.08 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 3iw5 h HIS 64 Cb 1.55 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3iw5 h HIS 64 CO 0.06 0.96 -0.12 0.00 0.86 0.00 0.00 177.93 179.70 3iw5 h ALA 65 N 1.08 -0.32 -0.71 2.45 0.00 -0.68 -1.51 119.26 119.57 3iw5 h ALA 65 Ca 0.22 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.07 3iw5 h ALA 65 Cb 0.38 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 3iw5 h ALA 65 CO 0.00 -0.52 0.30 -0.22 0.00 0.00 0.00 179.25 178.81 3iw5 h LYS 66 N -0.65 0.47 0.00 0.00 3.64 -0.69 -1.37 116.57 117.98 3iw5 h LYS 66 Ca -0.03 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3iw5 h LYS 66 Cb 0.46 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3iw5 h LYS 66 CO 0.05 0.31 -0.37 0.00 -2.27 0.00 0.00 179.45 177.17 3iw5 h ARG 67 N 0.48 0.00 -0.07 1.90 3.08 -1.15 -1.72 114.38 116.90 3iw5 h ARG 67 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 3iw5 h ARG 67 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3iw5 h ARG 67 CO -0.34 0.37 -0.14 1.15 -1.07 0.00 0.00 179.97 179.94 3iw5 h THR 68 N 0.00 1.41 -0.06 2.04 2.02 -0.54 -0.84 112.91 116.94 3iw5 h THR 68 Ca -0.00 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.74 3iw5 h THR 68 Cb 0.77 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3iw5 h THR 68 CO 0.05 0.40 -0.04 0.22 0.37 0.00 0.00 175.52 176.52 3iw5 h TYR 69 N -0.28 -0.09 -0.65 3.16 5.03 -1.10 0.44 116.97 123.49 3iw5 h TYR 69 Ca 0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.34 3iw5 h TYR 69 Cb 0.72 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 3iw5 h TYR 69 CO 0.11 -0.06 0.41 -0.09 -1.32 0.00 0.00 178.16 177.22 3iw5 h ARG 70 N -0.04 0.80 -0.27 1.82 2.43 -1.37 0.23 114.38 117.98 3iw5 h ARG 70 Ca 0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3iw5 h ARG 70 Cb 0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3iw5 h ARG 70 CO -0.09 0.53 0.04 1.49 -1.51 0.00 0.00 179.97 180.44 3iw5 h GLU 71 N 0.82 0.45 -0.19 0.20 4.81 -0.53 -1.43 114.58 118.72 3iw5 h GLU 71 Ca 0.25 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3iw5 h GLU 71 Cb -0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3iw5 h GLU 71 CO -0.09 0.57 0.04 1.25 -0.73 0.00 0.00 179.01 180.05 3iw5 h LEU 72 N 0.27 0.01 -0.19 1.64 6.46 -0.62 -1.64 115.31 121.25 3iw5 h LEU 72 Ca 0.08 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3iw5 h LEU 72 Cb 0.34 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3iw5 h LEU 72 CO 0.01 0.03 0.03 0.03 -0.62 0.00 0.00 178.44 177.92 3iw5 h ARG 73 N 0.11 0.10 -0.14 1.25 3.08 -0.47 -1.71 114.38 116.60 3iw5 h ARG 73 Ca 0.09 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3iw5 h ARG 73 Cb 0.08 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3iw5 h ARG 73 CO -0.11 0.07 -0.20 1.25 -1.07 0.00 0.00 179.97 179.90 3iw5 h LEU 74 N 0.10 -0.62 -0.94 3.04 5.85 -1.03 -1.66 115.31 120.04 3iw5 h LEU 74 Ca 0.08 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3iw5 h LEU 74 Cb 0.08 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3iw5 h LEU 74 CO -0.12 -0.25 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.16 3iw5 h LEU 75 N -0.25 0.06 -1.08 2.25 3.38 -1.02 -1.11 115.31 117.53 3iw5 h LEU 75 Ca 0.10 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3iw5 h LEU 75 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3iw5 h LEU 75 CO -0.28 0.56 -0.35 0.11 0.09 0.00 0.00 178.44 178.57 3iw5 h LYS 76 N 0.04 0.00 0.00 1.13 1.57 -0.96 -2.99 116.57 115.36 3iw5 h LYS 76 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3iw5 h LYS 76 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3iw5 h LYS 76 CO 0.07 0.35 -1.05 0.45 -0.57 0.00 0.00 179.45 178.70 3iw5 h HIS 77 N 0.00 0.00 -3.66 -1.35 3.86 -0.29 -3.45 115.15 110.27 3iw5 h HIS 77 Ca -0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3iw5 h HIS 77 Cb 0.81 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.20 3iw5 h HIS 77 CO 0.00 0.25 0.86 -1.64 0.86 0.00 0.00 177.93 178.26 3iw5 s MET 78 N -3.16 3.66 -0.36 2.45 -1.94 -0.69 -4.97 119.30 114.29 3iw5 s MET 78 Ca -0.01 0.44 -0.00 0.00 -1.71 0.00 0.00 55.69 54.41 3iw5 s MET 78 Cb 0.09 -3.92 0.13 0.00 2.01 0.00 0.00 34.83 33.13 3iw5 s MET 78 CO 0.79 -1.38 0.19 0.15 -0.01 0.00 0.00 175.02 174.75 3iw5 s LYS 79 N 4.37 0.70 -0.27 2.03 1.02 -1.26 -4.44 119.74 121.89 3iw5 s LYS 79 Ca 0.45 -1.33 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 3iw5 s LYS 79 Cb -0.08 -1.66 0.10 0.00 -0.52 0.00 0.00 37.83 35.68 3iw5 s LYS 79 CO 0.30 -1.13 0.91 -1.58 -0.92 0.00 0.00 175.35 172.93 3iw5 s HIS 80 N 1.15 -0.59 0.49 3.18 2.46 -1.26 -5.06 115.29 115.65 3iw5 s HIS 80 Ca 0.15 1.43 0.16 0.00 0.47 0.00 0.00 55.06 57.27 3iw5 s HIS 80 Cb -0.21 0.33 1.17 0.00 -0.13 0.00 0.00 32.58 33.74 3iw5 s HIS 80 CO -0.10 -0.29 2.08 0.93 -2.47 0.00 0.00 174.74 174.89 3iw5 h GLU 81 N 4.44 0.17 -0.49 2.88 5.08 -1.99 -2.92 114.58 121.76 3iw5 h GLU 81 Ca -0.28 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3iw5 h GLU 81 Cb 1.17 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3iw5 h GLU 81 CO 0.09 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 3iw5 n ASN 82 N -4.49 5.21 -3.97 1.42 5.03 -1.26 -4.67 115.26 112.53 3iw5 n ASN 82 Ca 0.02 -2.97 -0.18 0.00 0.87 0.00 0.00 54.58 52.32 3iw5 n ASN 82 Cb 0.22 -0.65 -0.15 0.00 -1.02 0.00 0.00 39.78 38.18 3iw5 n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3iw5 s VAL 83 N -2.80 0.58 0.43 2.41 1.01 -1.10 -0.97 120.40 119.96 3iw5 s VAL 83 Ca 0.51 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3iw5 s VAL 83 Cb 0.40 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 36.17 3iw5 s VAL 83 CO 0.14 0.19 1.43 -0.51 0.00 0.00 0.00 175.10 176.34 3iw5 s ILE 84 N 0.16 2.13 0.26 2.22 2.07 -0.23 -4.55 121.20 123.25 3iw5 s ILE 84 Ca -0.02 0.12 0.05 0.00 -1.41 0.00 0.00 60.65 59.39 3iw5 s ILE 84 Cb -0.07 -3.07 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 3iw5 s ILE 84 CO -0.00 0.02 0.24 0.61 -1.91 0.00 0.00 174.94 173.90 3iw5 n GLY 85 N 0.57 3.05 3.54 1.50 0.00 -1.26 -4.81 105.19 107.78 3iw5 n GLY 85 Ca 0.04 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3iw5 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iw5 s LEU 86 N 0.00 3.05 0.02 0.99 1.43 -1.26 -4.60 118.68 118.31 3iw5 s LEU 86 Ca 0.29 -0.09 0.15 0.00 -1.03 0.00 0.00 54.13 53.46 3iw5 s LEU 86 Cb 0.01 -1.66 -0.17 0.00 0.03 0.00 0.00 46.19 44.40 3iw5 s LEU 86 CO 0.21 0.33 0.77 -0.07 0.23 0.00 0.00 176.35 177.82 3iw5 h LEU 87 N 5.46 0.00 -7.33 1.79 3.38 -1.15 -3.41 115.31 114.06 3iw5 h LEU 87 Ca -0.46 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.59 3iw5 h LEU 87 Cb 1.17 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 3iw5 h LEU 87 CO 0.53 0.75 0.34 -0.62 0.09 0.00 0.00 178.44 179.53 3iw5 s ASP 88 N -5.92 -0.38 -0.22 -0.43 3.68 -1.12 -4.67 116.67 107.61 3iw5 s ASP 88 Ca -0.03 -0.20 -0.11 0.00 2.13 0.00 0.00 52.55 54.33 3iw5 s ASP 88 Cb 0.08 0.55 0.08 0.00 -1.45 0.00 0.00 42.92 42.18 3iw5 s ASP 88 CO 0.82 -0.94 0.53 0.54 0.13 0.00 0.00 175.17 176.25 3iw5 s VAL 89 N -3.53 -0.20 0.09 1.11 0.11 -1.26 -1.26 120.40 115.45 3iw5 s VAL 89 Ca 0.06 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.11 3iw5 s VAL 89 Cb -0.02 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3iw5 s VAL 89 CO -0.05 0.03 0.15 0.72 -3.33 0.00 0.00 175.10 172.62 3iw5 s PHE 90 N 1.80 0.26 0.03 1.54 -0.12 -0.89 -4.98 117.98 115.62 3iw5 s PHE 90 Ca -0.08 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.11 3iw5 s PHE 90 Cb -0.08 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 3iw5 s PHE 90 CO -0.16 -0.52 -0.08 -0.08 -0.05 0.00 0.00 175.22 174.33 3iw5 s THR 91 N -3.89 0.61 0.40 -4.49 -1.32 -1.26 -1.86 115.64 103.84 3iw5 s THR 91 Ca 0.07 -0.79 0.11 0.00 -1.21 0.00 0.00 61.69 59.87 3iw5 s THR 91 Cb 0.05 -0.60 0.16 0.00 -1.51 0.00 0.00 72.50 70.60 3iw5 s THR 91 CO -0.10 -0.15 1.93 -0.65 -2.21 0.00 0.00 174.62 173.44 3iw5 h PRO 92 N 5.06 0.13 -6.80 7.08 0.11 -1.81 -3.46 132.00 132.31 3iw5 h PRO 92 Ca -0.34 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.17 3iw5 h PRO 92 Cb 1.19 -0.02 0.15 0.00 0.11 0.00 0.00 31.00 32.44 3iw5 h PRO 92 CO 0.44 0.31 0.17 0.00 -0.21 0.00 0.00 178.00 178.72 3iw5 n ALA 93 N -2.49 0.31 0.95 -0.75 0.00 -1.26 -4.97 120.51 112.28 3iw5 n ALA 93 Ca -0.01 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3iw5 n ALA 93 Cb 0.28 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 3iw5 n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iw5 n ARG 94 N -0.70 0.65 -3.55 0.00 1.74 -1.26 -4.99 116.66 108.56 3iw5 n ARG 94 Ca 0.12 -0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 56.81 3iw5 n ARG 94 Cb 0.45 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 3iw5 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iw5 s SER 95 N -2.74 -0.47 0.36 0.55 1.04 -1.26 -5.04 113.70 106.14 3iw5 s SER 95 Ca 0.10 -0.17 0.11 0.00 0.48 0.00 0.00 55.95 56.47 3iw5 s SER 95 Cb 0.16 0.62 0.88 0.00 0.10 0.00 0.00 66.02 67.78 3iw5 s SER 95 CO 0.74 -1.06 1.84 0.25 0.98 0.00 0.00 173.24 175.99 3iw5 h LEU 96 N 2.00 0.62 -1.40 2.42 5.85 -1.97 -1.70 115.31 121.13 3iw5 h LEU 96 Ca -0.29 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3iw5 h LEU 96 Cb 1.29 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3iw5 h LEU 96 CO 0.33 0.27 -0.13 1.05 -0.34 0.00 0.00 178.44 179.63 3iw5 h GLU 97 N 0.63 0.24 -0.63 1.25 9.09 -2.02 -2.43 114.58 120.71 3iw5 h GLU 97 Ca 0.49 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3iw5 h GLU 97 Cb 0.92 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 3iw5 h GLU 97 CO -0.24 0.38 0.00 -0.85 0.05 0.00 0.00 179.01 178.35 3iw5 n GLU 98 N -4.28 4.08 -2.84 1.06 0.28 -0.65 -4.94 120.64 113.36 3iw5 n GLU 98 Ca -0.01 -2.75 -0.43 0.00 -0.16 0.00 0.00 57.16 53.82 3iw5 n GLU 98 Cb 0.27 -2.04 -0.04 0.00 1.43 0.00 0.00 31.44 31.05 3iw5 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3iw5 s PHE 99 N -2.25 2.77 0.00 -1.84 5.36 -0.92 -4.59 117.98 116.51 3iw5 s PHE 99 Ca 0.48 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 3iw5 s PHE 99 Cb 0.34 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 3iw5 s PHE 99 CO 0.18 -1.39 0.06 0.09 -1.46 0.00 0.00 175.22 172.70 3iw5 n ASN 100 N 7.51 0.00 -3.90 6.13 4.13 -1.26 -5.04 115.26 122.82 3iw5 n ASN 100 Ca 0.01 -1.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.17 3iw5 n ASN 100 Cb 0.47 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.60 3iw5 n ASN 100 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3iw5 s ASP 101 N 0.00 0.08 -0.05 6.41 1.01 -1.26 -4.63 116.67 118.22 3iw5 s ASP 101 Ca 0.00 -0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.01 3iw5 s ASP 101 Cb 0.00 0.16 0.04 0.00 1.01 0.00 0.00 42.92 44.13 3iw5 s ASP 101 CO 0.00 -0.27 0.11 -0.69 0.21 0.00 0.00 175.17 174.53 3iw5 s VAL 102 N -1.11 -0.05 -0.05 -1.27 1.01 -1.26 -4.55 120.40 113.11 3iw5 s VAL 102 Ca -0.12 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3iw5 s VAL 102 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.12 3iw5 s VAL 102 CO 0.00 0.08 -0.15 -0.31 0.00 0.00 0.00 175.10 174.73 3iw5 s TYR 103 N 1.14 1.57 -0.10 5.22 1.51 -0.77 -1.03 117.35 124.89 3iw5 s TYR 103 Ca -0.09 -0.52 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 3iw5 s TYR 103 Cb -0.12 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 3iw5 s TYR 103 CO -0.05 -0.22 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.59 3iw5 s LEU 104 N 0.35 3.12 -0.09 -1.29 1.43 0.38 -2.11 118.68 120.48 3iw5 s LEU 104 Ca -0.10 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3iw5 s LEU 104 Cb -0.14 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3iw5 s LEU 104 CO 0.03 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 176.00 3iw5 s VAL 105 N -0.38 2.32 0.11 -1.59 1.01 -0.39 -0.57 120.40 120.91 3iw5 s VAL 105 Ca 0.06 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3iw5 s VAL 105 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3iw5 s VAL 105 CO 0.02 0.56 -0.03 0.28 0.00 0.00 0.00 175.10 175.93 3iw5 s THR 106 N 0.14 0.55 0.31 3.92 -1.32 -0.81 -0.49 115.64 117.93 3iw5 s THR 106 Ca -0.11 -1.92 -0.30 0.00 -1.21 0.00 0.00 61.69 58.15 3iw5 s THR 106 Cb -0.16 -1.80 -0.11 0.00 -1.51 0.00 0.00 72.50 68.92 3iw5 s THR 106 CO 0.06 -0.76 1.58 -2.28 -2.21 0.00 0.00 174.62 171.01 3iw5 s HIS 107 N -3.73 2.72 0.15 9.09 2.46 -1.26 -0.63 115.29 124.09 3iw5 s HIS 107 Ca 0.15 0.85 -0.31 0.00 0.47 0.00 0.00 55.06 56.22 3iw5 s HIS 107 Cb 0.06 -4.06 -0.09 0.00 -0.13 0.00 0.00 32.58 28.36 3iw5 s HIS 107 CO -0.03 -3.49 1.47 -1.17 -2.47 0.00 0.00 174.74 169.05 3iw5 s LEU 108 N -0.79 4.37 -0.09 8.88 2.96 -0.98 -4.45 118.68 128.59 3iw5 s LEU 108 Ca 0.61 2.49 0.02 0.00 -0.22 0.00 0.00 54.13 57.03 3iw5 s LEU 108 Cb -0.48 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.55 3iw5 s LEU 108 CO 0.51 -0.73 -0.07 0.23 -1.32 0.00 0.00 176.35 174.97 3iw5 n MET 109 N 3.73 0.60 0.00 1.98 2.81 -1.26 -4.92 117.12 120.05 3iw5 n MET 109 Ca 0.12 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3iw5 n MET 109 Cb 0.40 -1.19 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 3iw5 n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iw5 n GLY 110 N 2.98 2.93 3.30 3.03 0.00 -1.26 -4.15 105.19 112.02 3iw5 n GLY 110 Ca -0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3iw5 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw5 s ALA 111 N -2.53 -0.93 0.58 4.61 0.00 -1.24 -5.08 121.76 117.18 3iw5 s ALA 111 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.29 3iw5 s ALA 111 Cb 0.00 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.52 3iw5 s ALA 111 CO 0.00 -0.43 0.69 0.16 0.00 0.00 0.00 175.76 176.17 3iw5 s ASP 112 N -1.97 4.90 0.23 0.00 3.84 -1.26 -0.79 116.67 121.62 3iw5 s ASP 112 Ca -0.06 -1.02 -0.08 0.00 -0.00 0.00 0.00 52.55 51.40 3iw5 s ASP 112 Cb -0.01 0.44 0.25 0.00 -1.38 0.00 0.00 42.92 42.21 3iw5 s ASP 112 CO -0.02 -1.33 1.88 0.25 -0.00 0.00 0.00 175.17 175.95 3iw5 h LEU 113 N 0.31 0.91 -0.70 2.11 5.85 -0.95 -1.90 115.31 120.95 3iw5 h LEU 113 Ca -0.31 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.55 3iw5 h LEU 113 Cb 1.30 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 3iw5 h LEU 113 CO 0.46 0.63 0.16 0.78 -0.34 0.00 0.00 178.44 180.13 3iw5 h ASN 114 N 1.07 0.01 -0.98 1.25 2.35 -1.89 -1.01 115.58 116.38 3iw5 h ASN 114 Ca 0.33 0.14 0.02 0.00 -0.55 0.00 0.00 56.30 56.24 3iw5 h ASN 114 Cb -0.01 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3iw5 h ASN 114 CO -0.11 -0.02 0.65 0.78 -1.65 0.00 0.00 177.43 177.08 3iw5 h ASN 115 N 0.27 1.11 0.84 5.81 -0.26 -1.74 0.41 115.58 122.02 3iw5 h ASN 115 Ca 0.39 -0.02 -0.20 0.00 -0.56 0.00 0.00 56.30 55.91 3iw5 h ASN 115 Cb 0.64 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 3iw5 h ASN 115 CO -0.48 0.79 -0.94 0.40 -1.06 0.00 0.00 177.43 176.13 3iw5 h ILE 116 N 1.30 1.62 0.10 2.81 1.08 -1.24 -3.37 117.51 119.81 3iw5 h ILE 116 Ca 0.37 -3.06 -0.37 0.00 -0.39 0.00 0.00 64.86 61.41 3iw5 h ILE 116 Cb -0.10 2.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.31 3iw5 h ILE 116 CO -0.09 0.88 -2.09 0.52 -0.69 0.00 0.00 178.15 176.67 3iw5 n VAL 117 N -3.49 1.72 -3.79 1.67 0.31 -0.41 -5.01 118.33 109.34 3iw5 n VAL 117 Ca -0.01 -0.65 -0.26 0.00 -0.01 0.00 0.00 64.34 63.40 3iw5 n VAL 117 Cb 0.87 -1.64 0.02 0.00 -0.91 0.00 0.00 33.84 32.18 3iw5 n VAL 117 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iw5 n LYS 118 N -3.42 -2.90 -0.83 5.55 5.02 0.14 -1.66 118.16 120.06 3iw5 n LYS 118 Ca -0.34 0.48 -0.04 0.00 -2.02 0.00 0.00 58.31 56.39 3iw5 n LYS 118 Cb 1.04 -4.55 -0.02 0.00 -0.02 0.00 0.00 35.03 31.49 3iw5 n LYS 118 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3iw5 n SER 119 N -2.89 -1.49 -4.89 4.39 3.41 -1.26 -4.93 113.62 105.96 3iw5 n SER 119 Ca -0.23 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.17 3iw5 n SER 119 Cb 0.65 -1.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.04 3iw5 n SER 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3iw5 s GLN 120 N -1.76 3.72 0.07 4.33 2.00 -0.67 -4.65 119.66 122.69 3iw5 s GLN 120 Ca 0.00 0.15 -0.31 0.00 -2.00 0.00 0.00 55.36 53.20 3iw5 s GLN 120 Cb 0.00 -2.64 -0.07 0.00 0.80 0.00 0.00 33.01 31.10 3iw5 s GLN 120 CO 0.00 0.26 1.41 0.21 -0.50 0.00 0.00 175.29 176.68 3iw5 s LYS 121 N -3.18 4.30 0.30 1.67 2.20 -1.26 -4.60 119.74 119.17 3iw5 s LYS 121 Ca 0.46 2.05 -0.02 0.00 -0.36 0.00 0.00 55.97 58.10 3iw5 s LYS 121 Cb -0.11 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3iw5 s LYS 121 CO 0.26 -0.51 0.53 -0.51 -0.36 0.00 0.00 175.35 174.75 3iw5 s LEU 122 N 1.73 4.06 0.58 5.43 1.43 -0.63 -5.02 118.68 126.26 3iw5 s LEU 122 Ca 0.65 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.11 3iw5 s LEU 122 Cb -0.35 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3iw5 s LEU 122 CO 0.29 -0.22 1.23 0.42 0.23 0.00 0.00 176.35 178.30 3iw5 s THR 123 N -2.16 2.55 0.46 5.49 -4.23 -1.26 -4.74 115.64 111.75 3iw5 s THR 123 Ca 0.41 0.36 0.24 0.00 -1.18 0.00 0.00 61.69 61.52 3iw5 s THR 123 Cb -0.10 -3.15 0.43 0.00 1.34 0.00 0.00 72.50 71.01 3iw5 s THR 123 CO 0.33 -0.06 1.85 -0.78 -0.54 0.00 0.00 174.62 175.41 3iw5 h ASP 124 N 1.02 0.25 -0.09 3.99 3.58 -1.97 -0.73 116.42 122.48 3iw5 h ASP 124 Ca -0.50 0.03 -0.18 0.00 0.42 0.00 0.00 57.03 56.80 3iw5 h ASP 124 Cb 1.30 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.33 3iw5 h ASP 124 CO 0.56 0.08 -0.58 0.44 -2.88 0.00 0.00 179.24 176.86 3iw5 h ASP 125 N 0.24 0.77 -0.17 2.28 3.32 -2.00 -1.61 116.42 119.25 3iw5 h ASP 125 Ca 0.48 -0.43 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 3iw5 h ASP 125 Cb 1.48 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.82 3iw5 h ASP 125 CO -0.13 1.18 -0.59 -0.74 -1.72 0.00 0.00 179.24 177.24 3iw5 h HIS 126 N 0.52 0.92 -0.71 4.55 2.76 -1.56 -2.07 115.15 119.56 3iw5 h HIS 126 Ca 0.00 -0.38 0.02 0.00 -2.20 0.00 0.00 60.37 57.81 3iw5 h HIS 126 Cb 1.16 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.93 3iw5 h HIS 126 CO 0.06 1.18 0.46 0.28 -1.30 0.00 0.00 177.93 178.61 3iw5 h VAL 127 N 0.39 1.15 -0.07 5.26 2.07 -1.17 -1.23 116.25 122.66 3iw5 h VAL 127 Ca -0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3iw5 h VAL 127 Cb 1.22 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3iw5 h VAL 127 CO 0.12 0.17 0.02 1.56 0.02 0.00 0.00 177.57 179.46 3iw5 h GLN 128 N 0.92 0.10 -0.98 1.57 4.20 -1.05 -1.62 115.11 118.25 3iw5 h GLN 128 Ca 0.27 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.05 3iw5 h GLN 128 Cb -0.06 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.63 3iw5 h GLN 128 CO -0.08 0.27 0.62 0.35 -0.67 0.00 0.00 178.83 179.32 3iw5 h PHE 129 N -0.09 1.13 0.00 2.96 3.57 -1.09 0.39 116.94 123.82 3iw5 h PHE 129 Ca 0.02 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3iw5 h PHE 129 Cb 0.21 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 38.60 3iw5 h PHE 129 CO -0.00 0.51 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.09 3iw5 h LEU 130 N 1.05 0.37 -1.05 0.59 3.38 -1.05 -3.00 115.31 115.60 3iw5 h LEU 130 Ca 0.45 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3iw5 h LEU 130 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3iw5 h LEU 130 CO -0.22 1.10 -0.12 0.40 0.09 0.00 0.00 178.44 179.70 3iw5 h ILE 131 N -0.32 1.23 -0.75 1.22 1.08 -1.14 -2.75 117.51 116.08 3iw5 h ILE 131 Ca -0.06 -1.04 0.05 0.00 -0.39 0.00 0.00 64.86 63.42 3iw5 h ILE 131 Cb 1.17 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.00 3iw5 h ILE 131 CO 0.08 0.34 0.46 0.22 -0.69 0.00 0.00 178.15 178.57 3iw5 h TYR 132 N 0.50 0.86 -0.39 1.37 3.20 -0.92 -0.01 116.97 121.58 3iw5 h TYR 132 Ca 0.09 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 3iw5 h TYR 132 Cb 0.50 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3iw5 h TYR 132 CO 0.02 0.46 -0.20 1.96 -1.64 0.00 0.00 178.16 178.75 3iw5 h GLN 133 N 0.87 0.84 -0.15 1.82 4.20 -1.37 0.19 115.11 121.50 3iw5 h GLN 133 Ca 0.32 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.69 3iw5 h GLN 133 Cb 0.10 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3iw5 h GLN 133 CO -0.14 1.01 -0.09 0.82 -0.67 0.00 0.00 178.83 179.75 3iw5 h ILE 134 N 0.64 0.73 -0.77 2.54 2.04 -1.13 0.11 117.51 121.66 3iw5 h ILE 134 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3iw5 h ILE 134 Cb 0.76 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3iw5 h ILE 134 CO 0.06 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.44 3iw5 h LEU 135 N -0.08 1.07 -0.51 1.44 3.38 -0.81 0.14 115.31 119.93 3iw5 h LEU 135 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iw5 h LEU 135 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3iw5 h LEU 135 CO -0.20 0.95 0.28 -0.09 0.09 0.00 0.00 178.44 179.46 3iw5 h ARG 136 N 1.13 0.72 -0.56 1.13 2.43 -0.63 0.40 114.38 119.00 3iw5 h ARG 136 Ca 0.26 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3iw5 h ARG 136 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3iw5 h ARG 136 CO -0.02 0.57 0.15 0.78 -1.51 0.00 0.00 179.97 179.94 3iw5 h GLY 137 N 0.68 0.94 1.05 2.80 0.00 -0.45 -3.00 103.07 105.10 3iw5 h GLY 137 Ca 0.18 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3iw5 h GLY 137 CO -0.03 0.54 0.37 1.41 0.00 0.00 0.00 176.54 178.83 3iw5 h LEU 138 N 0.78 1.12 -0.74 3.11 3.38 -0.29 -1.79 115.31 120.88 3iw5 h LEU 138 Ca 0.18 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3iw5 h LEU 138 Cb 0.31 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3iw5 h LEU 138 CO -0.00 0.96 0.44 0.50 0.09 0.00 0.00 178.44 180.43 3iw5 h LYS 139 N 1.20 0.80 0.30 1.13 3.64 -0.13 0.18 116.57 123.69 3iw5 h LYS 139 Ca 0.28 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3iw5 h LYS 139 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3iw5 h LYS 139 CO -0.03 0.53 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.61 3iw5 h TYR 140 N 0.82 -0.38 -0.62 1.91 3.20 -1.32 -1.10 116.97 119.49 3iw5 h TYR 140 Ca 0.32 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3iw5 h TYR 140 Cb 0.13 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3iw5 h TYR 140 CO -0.05 -0.13 0.38 0.82 -1.64 0.00 0.00 178.16 177.54 3iw5 h ILE 141 N -0.58 1.08 -0.71 1.81 2.04 -1.25 -2.84 117.51 117.06 3iw5 h ILE 141 Ca -0.04 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3iw5 h ILE 141 Cb 0.42 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3iw5 h ILE 141 CO 0.07 0.14 0.27 0.45 0.00 0.00 0.00 178.15 179.08 3iw5 h HIS 142 N 0.76 1.10 -0.04 1.37 3.86 -0.56 -1.93 115.15 119.72 3iw5 h HIS 142 Ca 0.25 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3iw5 h HIS 142 Cb 0.01 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 3iw5 h HIS 142 CO -0.05 0.86 0.05 0.66 0.86 0.00 0.00 177.93 180.30 3iw5 h SER 143 N 1.03 0.00 -0.19 2.45 4.64 -0.97 0.10 113.55 120.61 3iw5 h SER 143 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3iw5 h SER 143 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3iw5 h SER 143 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 3iw5 n ALA 144 N -2.30 2.50 -2.77 5.18 0.00 -0.76 -4.44 120.51 117.94 3iw5 n ALA 144 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 3iw5 n ALA 144 Cb 0.13 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.54 3iw5 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iw5 n ASP 145 N 0.16 -4.47 -4.42 0.00 4.64 0.36 -2.89 116.55 109.93 3iw5 n ASP 145 Ca 0.13 -0.19 -0.33 0.00 -1.38 0.00 0.00 54.79 53.01 3iw5 n ASP 145 Cb 0.25 -3.33 -0.13 0.00 -1.04 0.00 0.00 41.12 36.87 3iw5 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3iw5 s ILE 146 N -2.96 3.37 -0.22 5.18 1.01 -0.99 -4.98 121.20 121.63 3iw5 s ILE 146 Ca 0.20 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3iw5 s ILE 146 Cb -0.09 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3iw5 s ILE 146 CO 0.25 0.51 0.09 -0.63 0.00 0.00 0.00 174.94 175.16 3iw5 s ILE 147 N 0.33 4.80 0.05 2.92 1.01 -1.26 -3.70 121.20 125.34 3iw5 s ILE 147 Ca -0.08 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 3iw5 s ILE 147 Cb -0.15 -3.20 -0.17 0.00 0.01 0.00 0.00 42.46 38.94 3iw5 s ILE 147 CO 0.05 0.40 1.49 -0.74 0.00 0.00 0.00 174.94 176.13 3iw5 h HIS 148 N 7.34 -0.44 0.00 3.97 -0.00 -1.95 -3.47 115.15 120.60 3iw5 h HIS 148 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3iw5 h HIS 148 Cb 1.17 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 3iw5 h HIS 148 CO 0.62 -0.18 0.00 0.54 -0.00 0.00 0.00 177.93 178.91 3iw5 n ARG 149 N -5.23 0.00 -2.71 5.26 1.74 -1.26 -4.74 116.66 109.72 3iw5 n ARG 149 Ca -0.10 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.91 3iw5 n ARG 149 Cb 0.24 -0.96 0.05 0.00 -1.02 0.00 0.00 32.46 30.77 3iw5 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iw5 n ASP 150 N 0.00 1.03 -4.69 0.55 2.03 -1.26 -4.90 116.55 109.30 3iw5 n ASP 150 Ca 0.00 -2.50 -0.42 0.00 0.52 0.00 0.00 54.79 52.39 3iw5 n ASP 150 Cb 0.00 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 3iw5 n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3iw5 s LEU 151 N -3.34 4.32 0.24 -2.67 1.43 -1.26 -4.85 118.68 112.55 3iw5 s LEU 151 Ca 0.26 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.32 3iw5 s LEU 151 Cb 0.42 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 43.08 3iw5 s LEU 151 CO 0.00 -0.70 0.51 -1.59 0.23 0.00 0.00 176.35 174.81 3iw5 s LYS 152 N 2.24 1.53 0.31 1.70 -2.85 -1.26 -4.71 119.74 116.70 3iw5 s LYS 152 Ca 0.63 -1.13 0.01 0.00 -1.00 0.00 0.00 55.97 54.48 3iw5 s LYS 152 Cb -0.31 0.50 0.52 0.00 -2.06 0.00 0.00 37.83 36.47 3iw5 s LYS 152 CO 0.27 -0.65 1.91 -1.35 0.10 0.00 0.00 175.35 175.63 3iw5 h PRO 153 N 2.22 0.82 0.00 1.78 0.11 -1.94 -1.34 132.00 133.65 3iw5 h PRO 153 Ca -0.26 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3iw5 h PRO 153 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iw5 h PRO 153 CO 0.35 0.65 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 3iw5 n SER 154 N -4.35 0.00 -1.71 -2.05 3.41 -1.26 -1.43 113.62 106.23 3iw5 n SER 154 Ca 0.05 0.48 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 3iw5 n SER 154 Cb 0.14 -0.49 0.23 0.00 -0.26 0.00 0.00 64.21 63.84 3iw5 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iw5 n ASN 155 N -1.49 3.71 -3.65 4.04 5.03 -0.51 -4.18 115.26 118.21 3iw5 n ASN 155 Ca 0.02 -3.49 -0.27 0.00 0.87 0.00 0.00 54.58 51.72 3iw5 n ASN 155 Cb 0.09 -0.72 -0.17 0.00 -1.02 0.00 0.00 39.78 37.96 3iw5 n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3iw5 s LEU 156 N -3.15 0.62 0.15 3.41 1.43 -0.52 -1.42 118.68 119.21 3iw5 s LEU 156 Ca 0.51 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 3iw5 s LEU 156 Cb 0.43 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 46.23 3iw5 s LEU 156 CO 0.08 -0.34 0.95 0.00 0.23 0.00 0.00 176.35 177.27 3iw5 s ALA 157 N 2.05 3.28 -0.06 4.21 0.00 -0.24 -1.05 121.76 129.95 3iw5 s ALA 157 Ca 0.01 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 3iw5 s ALA 157 Cb -0.16 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3iw5 s ALA 157 CO -0.10 0.04 0.15 0.08 0.00 0.00 0.00 175.76 175.94 3iw5 s VAL 158 N -0.34 -0.01 0.53 0.00 1.01 0.03 -0.47 120.40 121.15 3iw5 s VAL 158 Ca 0.45 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.53 3iw5 s VAL 158 Cb -0.24 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 35.95 3iw5 s VAL 158 CO 0.30 0.01 0.52 0.54 0.00 0.00 0.00 175.10 176.48 3iw5 s ASN 159 N 0.28 4.88 0.31 3.32 2.20 -0.96 -3.63 114.94 121.36 3iw5 s ASN 159 Ca -0.02 -1.01 0.06 0.00 -0.94 0.00 0.00 52.86 50.96 3iw5 s ASN 159 Cb -0.03 0.16 0.87 0.00 -2.00 0.00 0.00 41.25 40.25 3iw5 s ASN 159 CO -0.01 -1.08 1.62 -0.33 -2.94 0.00 0.00 177.10 174.35 3iw5 h GLU 160 N 0.62 0.13 -0.91 3.55 5.08 -1.92 0.37 114.58 121.50 3iw5 h GLU 160 Ca -0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3iw5 h GLU 160 Cb 1.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3iw5 h GLU 160 CO 0.52 0.08 0.01 -0.25 -1.00 0.00 0.00 179.01 178.37 3iw5 n ASP 161 N -5.29 2.20 -1.91 1.42 9.92 -1.26 -4.88 116.55 116.76 3iw5 n ASP 161 Ca 0.26 -2.23 -0.19 0.00 -0.53 0.00 0.00 54.79 52.10 3iw5 n ASP 161 Cb 0.83 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 3iw5 n ASP 161 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3iw5 n SER 162 N 0.14 -5.09 -4.69 -2.24 7.64 0.13 -4.96 113.62 104.56 3iw5 n SER 162 Ca 0.07 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.81 3iw5 n SER 162 Cb 0.50 -4.42 -0.03 0.00 -1.01 0.00 0.00 64.21 59.25 3iw5 n SER 162 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3iw5 s GLU 163 N -4.19 4.41 0.02 1.43 2.02 -1.26 -4.84 118.70 116.28 3iw5 s GLU 163 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 54.97 56.59 3iw5 s GLU 163 Cb 0.00 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 3iw5 s GLU 163 CO 0.00 -0.34 -0.25 -1.17 0.02 0.00 0.00 175.26 173.52 3iw5 s LEU 164 N 1.95 2.20 0.03 1.80 0.20 -1.26 -2.25 118.68 121.35 3iw5 s LEU 164 Ca 0.52 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.86 3iw5 s LEU 164 Cb -0.21 -1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 3iw5 s LEU 164 CO 0.21 0.28 -0.11 -0.54 -0.29 0.00 0.00 176.35 175.90 3iw5 s LYS 165 N -1.04 0.77 0.21 1.98 1.02 0.38 -4.34 119.74 118.72 3iw5 s LYS 165 Ca 0.11 -0.63 -0.23 0.00 0.02 0.00 0.00 55.97 55.25 3iw5 s LYS 165 Cb -0.10 -0.72 -0.08 0.00 -0.52 0.00 0.00 37.83 36.41 3iw5 s LYS 165 CO 0.01 0.18 0.77 0.42 -0.92 0.00 0.00 175.35 175.81 3iw5 s ILE 166 N -0.77 4.44 0.14 2.17 1.01 -0.14 -1.08 121.20 126.97 3iw5 s ILE 166 Ca -0.00 1.52 0.08 0.00 0.00 0.00 0.00 60.65 62.25 3iw5 s ILE 166 Cb -0.07 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3iw5 s ILE 166 CO 0.01 0.33 -0.12 -0.76 0.00 0.00 0.00 174.94 174.40 3iw5 s LEU 167 N -1.65 2.94 -0.09 2.97 1.43 -0.50 -1.07 118.68 122.71 3iw5 s LEU 167 Ca 0.41 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 3iw5 s LEU 167 Cb -0.20 -1.70 -0.21 0.00 0.03 0.00 0.00 46.19 44.12 3iw5 s LEU 167 CO 0.23 0.15 0.89 -2.24 0.23 0.00 0.00 176.35 175.61 3iw5 h ASP 168 N 3.36 -0.04 -4.83 2.29 -0.00 -1.96 -3.47 116.42 111.77 3iw5 h ASP 168 Ca -0.48 -0.66 -0.16 0.00 -0.00 0.00 0.00 57.03 55.72 3iw5 h ASP 168 Cb 1.18 0.01 -0.22 0.00 -0.00 0.00 0.00 39.33 40.31 3iw5 h ASP 168 CO 0.51 0.70 -0.61 -0.36 -0.00 0.00 0.00 179.24 179.48 3iw5 s PHE 169 N -3.00 0.13 0.59 4.15 0.08 -1.26 -5.06 117.98 113.62 3iw5 s PHE 169 Ca -0.16 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.67 3iw5 s PHE 169 Cb -0.01 -0.11 0.11 0.00 -0.57 0.00 0.00 43.02 42.44 3iw5 s PHE 169 CO 0.60 -0.21 0.82 0.41 -0.10 0.00 0.00 175.22 176.74 3iw5 n GLY 170 N 1.72 1.57 2.73 4.36 0.00 -1.26 -5.01 105.19 109.29 3iw5 n GLY 170 Ca -0.22 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.56 3iw5 n GLY 170 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iw5 n LEU 171 N 0.00 -2.48 0.00 0.99 0.00 -1.26 -5.04 117.00 109.21 3iw5 n LEU 171 Ca 0.16 -3.24 0.00 0.00 0.00 0.00 0.00 56.01 52.93 3iw5 n LEU 171 Cb 0.57 0.86 0.00 0.00 0.00 0.00 0.00 43.42 44.85 3iw5 n LEU 171 CO 0.37 1.97 0.00 0.00 0.00 0.00 0.00 177.39 179.73 3iw5 n ALA 184 N 1.12 0.00 1.27 1.96 0.00 -1.26 -4.86 120.51 118.74 3iw5 n ALA 184 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.61 3iw5 n ALA 184 Cb 0.67 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.73 3iw5 n ALA 184 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iw5 n THR 185 N -1.22 0.03 -0.74 0.00 -2.24 -1.26 -3.33 114.28 105.53 3iw5 n THR 185 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3iw5 n THR 185 Cb 0.00 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3iw5 n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iw5 n ARG 186 N -1.02 -0.10 0.12 -0.78 1.74 -1.26 -4.80 116.66 110.56 3iw5 n ARG 186 Ca 0.15 -0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 3iw5 n ARG 186 Cb 0.08 -0.63 0.47 0.00 -1.02 0.00 0.00 32.46 31.36 3iw5 n ARG 186 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3iw5 n TRP 187 N -0.02 0.79 0.60 -1.55 8.01 -1.21 -2.91 117.44 121.15 3iw5 n TRP 187 Ca 0.00 0.29 0.06 0.00 -1.31 0.00 0.00 57.50 56.54 3iw5 n TRP 187 Cb 0.22 -0.97 -0.06 0.00 -2.01 0.00 0.00 31.31 28.49 3iw5 n TRP 187 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3iw5 n TYR 188 N -2.20 0.00 -2.14 -5.99 4.02 -1.26 -4.60 117.16 104.99 3iw5 n TYR 188 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 3iw5 n TYR 188 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 3iw5 n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3iw5 s ARG 189 N -2.08 4.36 0.35 -0.72 0.52 -1.15 -3.94 118.95 116.30 3iw5 s ARG 189 Ca 0.06 2.16 -0.27 0.00 -0.52 0.00 0.00 55.73 57.16 3iw5 s ARG 189 Cb 0.10 -3.13 -0.12 0.00 0.52 0.00 0.00 34.95 32.32 3iw5 s ARG 189 CO 0.48 -0.25 1.14 0.00 0.02 0.00 0.00 175.30 176.69 3iw5 n ALA 190 N 1.85 0.60 0.20 2.13 0.00 -1.26 -4.83 120.51 119.20 3iw5 n ALA 190 Ca 0.04 0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.86 3iw5 n ALA 190 Cb 0.42 -2.15 0.51 0.00 0.00 0.00 0.00 19.45 18.24 3iw5 n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iw5 h PRO 191 N 2.10 0.07 0.00 0.00 0.13 -1.94 -0.56 132.00 131.79 3iw5 h PRO 191 Ca -0.44 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3iw5 h PRO 191 Cb 1.31 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3iw5 h PRO 191 CO 0.60 0.18 -0.21 1.05 -0.23 0.00 0.00 178.00 179.39 3iw5 h GLU 192 N 0.07 0.00 0.07 0.86 9.09 -1.93 -1.39 114.58 121.35 3iw5 h GLU 192 Ca 0.02 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.15 3iw5 h GLU 192 Cb 0.22 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.35 3iw5 h GLU 192 CO 0.01 0.21 -1.14 0.82 0.05 0.00 0.00 179.01 178.96 3iw5 h ILE 193 N 0.00 1.32 -0.15 -1.06 2.04 -1.48 -2.07 117.51 116.12 3iw5 h ILE 193 Ca -0.00 -2.46 -0.00 0.00 1.00 0.00 0.00 64.86 63.39 3iw5 h ILE 193 Cb 0.41 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3iw5 h ILE 193 CO 0.03 0.75 0.07 0.24 0.00 0.00 0.00 178.15 179.23 3iw5 h MET 194 N 0.28 0.20 -0.46 2.37 2.86 -0.86 -2.05 114.93 117.26 3iw5 h MET 194 Ca -0.15 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3iw5 h MET 194 Cb 1.81 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.43 3iw5 h MET 194 CO 0.21 0.16 0.00 1.28 1.06 0.00 0.00 176.91 179.62 3iw5 n LEU 195 N -4.48 3.09 -3.06 1.22 4.77 -0.57 -4.97 117.00 112.98 3iw5 n LEU 195 Ca -0.01 -1.43 -0.23 0.00 -0.03 0.00 0.00 56.01 54.31 3iw5 n LEU 195 Cb 0.10 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 3iw5 n LEU 195 CO 0.35 0.72 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.92 3iw5 n ASN 196 N 1.21 -5.85 -4.71 -1.43 5.15 -0.77 -4.96 115.26 103.90 3iw5 n ASN 196 Ca 0.19 -0.30 -0.35 0.00 -0.60 0.00 0.00 54.58 53.52 3iw5 n ASN 196 Cb 0.52 -4.73 0.10 0.00 -0.53 0.00 0.00 39.78 35.13 3iw5 n ASN 196 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3iw5 n TRP 197 N -4.45 1.58 -1.08 1.20 5.03 -0.81 -4.95 117.44 113.95 3iw5 n TRP 197 Ca -0.10 0.41 0.09 0.00 3.03 0.00 0.00 57.50 60.93 3iw5 n TRP 197 Cb 0.61 -2.18 0.17 0.00 -1.03 0.00 0.00 31.31 28.88 3iw5 n TRP 197 CO 0.00 0.00 0.00 -0.12 -0.03 0.00 0.00 177.69 177.54 3iw5 n MET 198 N -2.58 1.70 -5.14 -0.99 1.56 -1.26 -4.88 117.12 105.54 3iw5 n MET 198 Ca 0.15 -2.69 -0.31 0.00 -0.27 0.00 0.00 57.70 54.58 3iw5 n MET 198 Cb 0.49 -1.60 -0.15 0.00 2.15 0.00 0.00 33.22 34.11 3iw5 n MET 198 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 3iw5 s HIS 199 N -2.89 2.32 -0.05 1.12 3.76 -1.26 -5.14 115.29 113.15 3iw5 s HIS 199 Ca 0.35 -0.43 -0.05 0.00 -0.15 0.00 0.00 55.06 54.78 3iw5 s HIS 199 Cb 0.30 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.55 3iw5 s HIS 199 CO 0.04 0.03 0.14 0.71 -0.85 0.00 0.00 174.74 174.81 3iw5 s TYR 200 N -0.69 -0.14 0.52 1.40 2.02 -1.26 -5.06 117.35 114.15 3iw5 s TYR 200 Ca 0.11 0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 57.02 3iw5 s TYR 200 Cb -0.10 0.04 -0.06 0.00 -0.40 0.00 0.00 41.96 41.44 3iw5 s TYR 200 CO 0.00 -0.09 0.94 -0.80 -1.57 0.00 0.00 175.55 174.03 3iw5 s ASN 201 N -0.06 6.44 0.57 2.29 -0.87 -1.26 -4.98 114.94 117.08 3iw5 s ASN 201 Ca -0.01 1.38 0.27 0.00 -1.57 0.00 0.00 52.86 52.92 3iw5 s ASN 201 Cb -0.02 -2.44 1.52 0.00 -0.02 0.00 0.00 41.25 40.30 3iw5 s ASN 201 CO 0.00 -0.64 2.02 1.56 -2.57 0.00 0.00 177.10 177.47 3iw5 h GLN 202 N 0.51 0.00 0.00 -0.60 4.20 -1.96 -1.63 115.11 115.64 3iw5 h GLN 202 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3iw5 h GLN 202 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3iw5 h GLN 202 CO 0.62 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.03 3iw5 n THR 203 N -3.98 0.37 -0.13 -0.54 -2.24 -1.26 -0.81 114.28 105.68 3iw5 n THR 203 Ca 0.06 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 3iw5 n THR 203 Cb 0.49 -0.81 0.41 0.00 -2.10 0.00 0.00 70.33 68.32 3iw5 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3iw5 h VAL 204 N 0.00 0.99 -0.28 2.28 -1.51 -1.65 -1.81 116.25 114.27 3iw5 h VAL 204 Ca 0.00 -0.22 -0.12 0.00 -1.23 0.00 0.00 66.70 65.13 3iw5 h VAL 204 Cb 0.12 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 3iw5 h VAL 204 CO 0.00 0.11 -0.33 0.44 -1.23 0.00 0.00 177.57 176.57 3iw5 h ASP 205 N 0.63 0.63 -0.41 4.19 3.45 -1.20 -3.07 116.42 120.64 3iw5 h ASP 205 Ca 0.28 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 3iw5 h ASP 205 Cb 0.31 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 3iw5 h ASP 205 CO -0.09 0.91 0.19 0.40 -1.57 0.00 0.00 179.24 179.08 3iw5 h ILE 206 N 0.51 1.18 -0.87 0.35 1.08 -1.46 -0.58 117.51 117.72 3iw5 h ILE 206 Ca 0.06 -0.52 0.23 0.00 -0.39 0.00 0.00 64.86 64.24 3iw5 h ILE 206 Cb 0.82 0.77 -0.14 0.00 -3.07 0.00 0.00 36.82 35.19 3iw5 h ILE 206 CO 0.07 0.19 0.20 -0.25 -0.69 0.00 0.00 178.15 177.68 3iw5 h TRP 207 N 0.52 0.29 -0.11 1.37 2.91 -1.29 0.19 115.95 119.83 3iw5 h TRP 207 Ca 0.14 0.05 -0.17 0.00 1.13 0.00 0.00 58.89 60.04 3iw5 h TRP 207 Cb 0.13 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 3iw5 h TRP 207 CO -0.01 -0.23 -0.66 0.77 -1.03 0.00 0.00 178.44 177.28 3iw5 h SER 208 N 0.19 0.52 -0.72 2.65 0.02 -1.09 -1.89 113.55 113.23 3iw5 h SER 208 Ca 0.54 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3iw5 h SER 208 Cb 1.09 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 3iw5 h SER 208 CO -0.67 1.04 0.47 0.58 -1.14 0.00 0.00 176.83 177.11 3iw5 h VAL 209 N 0.32 1.12 -0.31 2.27 2.07 0.18 -2.19 116.25 119.71 3iw5 h VAL 209 Ca -0.02 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3iw5 h VAL 209 Cb 1.22 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3iw5 h VAL 209 CO 0.12 0.16 0.05 1.23 0.02 0.00 0.00 177.57 179.14 3iw5 h GLY 210 N 0.88 0.56 1.01 2.17 0.00 -0.43 0.08 103.07 107.34 3iw5 h GLY 210 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3iw5 h GLY 210 CO -0.08 0.35 0.32 0.00 0.00 0.00 0.00 176.54 177.13 3iw5 h ILE 212 N 0.95 1.19 -0.24 0.00 2.04 -1.17 -2.18 117.51 118.09 3iw5 h ILE 212 Ca 0.23 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3iw5 h ILE 212 Cb 0.13 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3iw5 h ILE 212 CO -0.03 0.21 0.02 -0.03 0.00 0.00 0.00 178.15 178.32 3iw5 h MET 213 N 0.45 0.42 -0.36 2.37 4.05 -0.68 -1.96 114.93 119.22 3iw5 h MET 213 Ca 0.12 -0.12 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3iw5 h MET 213 Cb 0.19 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 3iw5 h MET 213 CO -0.01 0.57 0.15 0.00 0.23 0.00 0.00 176.91 177.85 3iw5 h ALA 214 N 0.83 0.43 -0.59 0.39 0.00 -0.85 -0.93 119.26 118.54 3iw5 h ALA 214 Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3iw5 h ALA 214 Cb 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3iw5 h ALA 214 CO 0.01 -0.24 0.29 1.49 0.00 0.00 0.00 179.25 180.80 3iw5 h GLU 215 N 0.31 0.53 0.00 0.00 4.81 -1.24 -2.31 114.58 116.68 3iw5 h GLU 215 Ca 0.16 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3iw5 h GLU 215 Cb 0.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3iw5 h GLU 215 CO -0.14 0.35 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.05 3iw5 h LEU 216 N 0.54 0.00 -0.01 1.64 3.38 -0.41 0.33 115.31 120.79 3iw5 h LEU 216 Ca 0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.00 3iw5 h LEU 216 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3iw5 h LEU 216 CO -0.20 0.37 -1.10 -0.07 0.09 0.00 0.00 178.44 177.53 3iw5 h LEU 217 N 0.00 0.33 0.00 1.67 3.38 -0.98 -1.67 115.31 118.04 3iw5 h LEU 217 Ca -0.00 -0.32 -0.26 0.00 0.09 0.00 0.00 57.88 57.38 3iw5 h LEU 217 Cb 0.68 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3iw5 h LEU 217 CO 0.05 1.21 -2.00 0.35 0.09 0.00 0.00 178.44 178.14 3iw5 n THR 218 N -3.55 1.01 0.00 0.22 -2.24 -0.90 -4.69 114.28 104.13 3iw5 n THR 218 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3iw5 n THR 218 Cb 0.95 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3iw5 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iw5 n GLY 219 N 2.50 2.70 3.55 3.38 0.00 0.11 -4.70 105.19 112.74 3iw5 n GLY 219 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3iw5 n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iw5 s ARG 220 N -0.72 3.09 -0.06 1.61 1.70 -1.24 -4.60 118.95 118.72 3iw5 s ARG 220 Ca 0.00 -0.54 -0.41 0.00 -0.47 0.00 0.00 55.73 54.31 3iw5 s ARG 220 Cb 0.00 -2.70 -0.20 0.00 -0.57 0.00 0.00 34.95 31.48 3iw5 s ARG 220 CO 0.00 0.51 1.13 2.41 -1.08 0.00 0.00 175.30 178.26 3iw5 n THR 221 N 2.71 0.00 0.10 4.99 -1.04 -1.26 -4.07 114.28 115.70 3iw5 n THR 221 Ca -0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 3iw5 n THR 221 Cb 0.53 -0.06 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 3iw5 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iw5 h LEU 222 N 3.22 -0.26 -6.57 -4.42 6.46 -1.92 -3.39 115.31 108.43 3iw5 h LEU 222 Ca -0.50 -0.27 -0.62 0.00 -0.12 0.00 0.00 57.88 56.37 3iw5 h LEU 222 Cb 1.41 0.07 -0.41 0.00 -0.73 0.00 0.00 40.66 41.00 3iw5 h LEU 222 CO 0.69 0.21 -0.50 0.49 -0.62 0.00 0.00 178.44 178.71 3iw5 n PHE 223 N -5.02 3.51 -2.34 1.25 0.99 -1.26 -5.00 117.46 109.59 3iw5 n PHE 223 Ca -0.08 -4.14 -0.43 0.00 -0.00 0.00 0.00 57.45 52.79 3iw5 n PHE 223 Cb 0.26 -0.64 0.00 0.00 -1.00 0.00 0.00 39.48 38.10 3iw5 n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3iw5 n PRO 224 N 1.30 3.42 -1.56 -1.08 -0.04 -1.26 -4.74 135.00 131.05 3iw5 n PRO 224 Ca 0.26 -3.40 -0.34 0.00 -0.04 0.00 0.00 63.50 59.98 3iw5 n PRO 224 Cb 0.38 -3.04 0.08 0.00 -0.04 0.00 0.00 33.50 30.88 3iw5 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3iw5 s GLY 225 N 1.76 2.31 0.25 0.55 0.00 -1.26 -4.94 107.32 105.98 3iw5 s GLY 225 Ca 0.42 0.78 0.18 0.00 0.00 0.00 0.00 44.72 46.11 3iw5 s GLY 225 CO -0.01 1.17 1.27 -0.91 0.00 0.00 0.00 173.10 174.62 3iw5 h THR 226 N -0.14 0.47 -2.89 0.90 1.35 -1.93 -3.46 112.91 107.21 3iw5 h THR 226 Ca -0.47 -1.73 0.02 0.00 -0.55 0.00 0.00 66.41 63.68 3iw5 h THR 226 Cb 1.28 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3iw5 h THR 226 CO 0.51 0.27 0.36 1.51 -0.25 0.00 0.00 175.52 177.92 3iw5 s ASP 227 N -6.07 0.03 0.16 5.36 3.84 -1.26 -5.04 116.67 113.69 3iw5 s ASP 227 Ca 0.02 -1.08 -0.23 0.00 -0.00 0.00 0.00 52.55 51.26 3iw5 s ASP 227 Cb 0.08 0.77 0.05 0.00 -1.38 0.00 0.00 42.92 42.44 3iw5 s ASP 227 CO 0.75 -1.55 1.61 0.45 -0.00 0.00 0.00 175.17 176.43 3iw5 h HIS 228 N 2.00 -0.82 -0.26 2.11 3.86 -2.00 -1.68 115.15 118.37 3iw5 h HIS 228 Ca -0.32 0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 58.77 3iw5 h HIS 228 Cb 1.24 0.41 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 3iw5 h HIS 228 CO 1.48 -0.37 -0.50 0.82 0.86 0.00 0.00 177.93 180.23 3iw5 h ILE 229 N -0.26 1.30 -0.60 2.45 1.08 -1.99 -2.58 117.51 116.90 3iw5 h ILE 229 Ca 0.16 -1.70 -0.04 0.00 -0.39 0.00 0.00 64.86 62.89 3iw5 h ILE 229 Cb 0.52 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.87 3iw5 h ILE 229 CO -0.49 0.55 0.23 -0.78 -0.69 0.00 0.00 178.15 176.97 3iw5 h ASP 230 N 0.56 0.83 -0.56 1.72 1.82 -1.90 0.13 116.42 119.03 3iw5 h ASP 230 Ca 0.02 -0.17 0.06 0.00 -0.39 0.00 0.00 57.03 56.55 3iw5 h ASP 230 Cb 1.07 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.81 3iw5 h ASP 230 CO 0.10 0.78 0.27 -0.61 -1.61 0.00 0.00 179.24 178.17 3iw5 h GLN 231 N 0.84 0.49 -0.20 0.28 4.15 -1.29 0.15 115.11 119.52 3iw5 h GLN 231 Ca 0.20 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 3iw5 h GLN 231 Cb 0.21 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3iw5 h GLN 231 CO -0.02 0.32 -0.15 -0.07 -1.93 0.00 0.00 178.83 176.99 3iw5 h LEU 232 N 0.50 0.33 -0.34 -2.39 3.38 -0.82 -1.35 115.31 114.62 3iw5 h LEU 232 Ca 0.26 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3iw5 h LEU 232 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3iw5 h LEU 232 CO -0.20 0.50 -0.15 0.11 0.09 0.00 0.00 178.44 178.79 3iw5 h LYS 233 N 0.32 0.71 -0.74 1.13 1.57 0.02 -1.48 116.57 118.09 3iw5 h LYS 233 Ca 0.06 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3iw5 h LYS 233 Cb 0.46 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3iw5 h LYS 233 CO 0.03 0.90 0.44 -0.07 -0.57 0.00 0.00 179.45 180.18 3iw5 h LEU 234 N 0.48 0.69 -0.38 2.94 3.38 -0.38 -1.81 115.31 120.23 3iw5 h LEU 234 Ca 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3iw5 h LEU 234 Cb 0.68 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iw5 h LEU 234 CO 0.05 0.45 0.05 0.40 0.09 0.00 0.00 178.44 179.48 3iw5 h ILE 235 N 0.82 1.24 -0.77 1.22 2.04 -1.18 -2.92 117.51 117.97 3iw5 h ILE 235 Ca 0.32 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3iw5 h ILE 235 Cb 0.15 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3iw5 h ILE 235 CO -0.17 0.30 0.29 -0.07 0.00 0.00 0.00 178.15 178.50 3iw5 h LEU 236 N 0.47 1.07 -0.85 1.44 3.38 -0.94 -2.19 115.31 117.70 3iw5 h LEU 236 Ca 0.11 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.09 3iw5 h LEU 236 Cb 0.38 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 3iw5 h LEU 236 CO 0.01 0.96 0.37 0.03 0.09 0.00 0.00 178.44 179.90 3iw5 h ARG 237 N 1.12 0.44 0.00 1.13 3.08 -1.22 0.11 114.38 119.03 3iw5 h ARG 237 Ca 0.25 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3iw5 h ARG 237 Cb 0.23 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3iw5 h ARG 237 CO -0.02 0.29 -0.04 1.25 -1.07 0.00 0.00 179.97 180.38 3iw5 h LEU 238 N 0.46 0.00 -2.36 3.04 5.85 -1.23 -3.38 115.31 117.69 3iw5 h LEU 238 Ca 0.50 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3iw5 h LEU 238 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3iw5 h LEU 238 CO -0.46 0.86 0.00 1.33 -0.34 0.00 0.00 178.44 179.83 3iw5 n VAL 239 N -4.66 0.81 -0.92 1.05 0.24 -0.88 0.05 118.33 114.02 3iw5 n VAL 239 Ca -0.08 -0.84 0.12 0.00 -2.04 0.00 0.00 64.34 61.50 3iw5 n VAL 239 Cb 0.34 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.17 3iw5 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iw5 n GLY 240 N 1.53 -2.51 3.80 7.63 0.00 0.37 -4.43 105.19 111.57 3iw5 n GLY 240 Ca 0.21 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3iw5 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iw5 s THR 241 N -2.97 3.76 0.17 2.61 -4.23 -0.83 -4.78 115.64 109.38 3iw5 s THR 241 Ca 0.00 0.73 -0.33 0.00 -1.18 0.00 0.00 61.69 60.91 3iw5 s THR 241 Cb 0.00 -3.31 -0.14 0.00 1.34 0.00 0.00 72.50 70.39 3iw5 s THR 241 CO 0.00 -0.59 1.56 -2.65 -0.54 0.00 0.00 174.62 172.40 3iw5 n PRO 242 N -2.50 2.16 -2.16 3.99 -0.02 -1.26 -4.85 135.00 130.35 3iw5 n PRO 242 Ca 0.09 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 62.06 3iw5 n PRO 242 Cb 0.53 -2.53 0.18 0.00 -0.02 0.00 0.00 33.50 31.66 3iw5 n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iw5 s GLY 243 N 0.83 1.80 0.21 -1.23 0.00 -1.26 -4.81 107.32 102.85 3iw5 s GLY 243 Ca 0.77 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.84 3iw5 s GLY 243 CO 0.39 -0.74 1.63 0.00 0.00 0.00 0.00 173.10 174.38 3iw5 h ALA 244 N -1.41 0.38 -0.60 3.20 0.00 -1.99 -2.22 119.26 116.61 3iw5 h ALA 244 Ca -0.41 0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3iw5 h ALA 244 Cb 1.23 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 3iw5 h ALA 244 CO 0.33 -0.44 0.30 1.49 0.00 0.00 0.00 179.25 180.93 3iw5 h GLU 245 N -0.01 0.54 -0.59 0.00 4.81 -2.01 -2.64 114.58 114.68 3iw5 h GLU 245 Ca 0.29 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3iw5 h GLU 245 Cb 0.46 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3iw5 h GLU 245 CO -0.64 0.36 0.15 1.25 -0.73 0.00 0.00 179.01 179.39 3iw5 h LEU 246 N 0.55 0.88 -0.45 1.64 5.85 -1.84 -3.14 115.31 118.81 3iw5 h LEU 246 Ca 0.28 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3iw5 h LEU 246 Cb 0.23 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3iw5 h LEU 246 CO -0.21 0.88 0.17 -0.07 -0.34 0.00 0.00 178.44 178.88 3iw5 h LEU 247 N 0.84 0.19 0.00 2.25 4.07 -1.31 -2.16 115.31 119.20 3iw5 h LEU 247 Ca 0.18 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3iw5 h LEU 247 Cb 0.34 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3iw5 h LEU 247 CO 0.00 0.14 0.00 2.29 -1.08 0.00 0.00 178.44 179.80 3iw5 n LYS 248 N -4.99 0.38 -0.05 1.13 2.85 -1.01 -2.32 118.16 114.15 3iw5 n LYS 248 Ca 0.04 0.02 0.10 0.00 -1.05 0.00 0.00 58.31 57.42 3iw5 n LYS 248 Cb 0.17 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.16 3iw5 n LYS 248 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3iw5 n LYS 249 N -1.03 1.97 -3.20 -1.58 5.02 -0.81 -4.89 118.16 113.64 3iw5 n LYS 249 Ca 0.09 -1.84 -0.43 0.00 -2.02 0.00 0.00 58.31 54.12 3iw5 n LYS 249 Cb 0.05 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 3iw5 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iw5 s ILE 250 N -1.59 4.95 0.06 -0.18 1.01 -0.98 -4.97 121.20 119.50 3iw5 s ILE 250 Ca 0.27 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3iw5 s ILE 250 Cb 0.18 -4.12 -0.27 0.00 0.01 0.00 0.00 42.46 38.25 3iw5 s ILE 250 CO 0.26 -0.51 1.12 0.77 0.00 0.00 0.00 174.94 176.59 3iw5 h SER 251 N 8.79 0.88 -2.52 3.58 4.64 -1.90 -3.44 113.55 123.59 3iw5 h SER 251 Ca -0.26 -0.80 -0.53 0.00 -0.47 0.00 0.00 61.79 59.73 3iw5 h SER 251 Cb 1.10 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3iw5 h SER 251 CO 0.85 1.59 1.12 -0.55 -0.87 0.00 0.00 176.83 178.97 3iw5 s SER 252 N -7.37 6.44 0.13 4.97 0.15 -1.26 -4.87 113.70 111.88 3iw5 s SER 252 Ca -0.10 2.73 -0.09 0.00 0.70 0.00 0.00 55.95 59.19 3iw5 s SER 252 Cb 0.06 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 3iw5 s SER 252 CO 0.93 -1.01 1.36 -0.08 1.20 0.00 0.00 173.24 175.64 3iw5 h GLU 253 N 8.88 0.70 -0.16 5.44 4.57 -1.99 -1.61 114.58 130.40 3iw5 h GLU 253 Ca -0.46 -0.55 -0.07 0.00 -1.18 0.00 0.00 59.36 57.11 3iw5 h GLU 253 Cb 1.22 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3iw5 h GLU 253 CO 0.95 1.16 -0.16 0.66 -1.18 0.00 0.00 179.01 180.44 3iw5 h SER 254 N 0.49 0.42 -0.45 1.04 4.64 -1.98 -1.46 113.55 116.25 3iw5 h SER 254 Ca -0.04 -0.48 0.09 0.00 -0.47 0.00 0.00 61.79 60.89 3iw5 h SER 254 Cb 1.33 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 3iw5 h SER 254 CO 0.14 0.81 -0.02 0.00 -0.87 0.00 0.00 176.83 176.89 3iw5 h ALA 255 N 0.62 0.39 0.22 5.18 0.00 -1.96 -0.75 119.26 122.97 3iw5 h ALA 255 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iw5 h ALA 255 Cb 0.69 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3iw5 h ALA 255 CO 0.04 -0.40 -0.38 -0.09 0.00 0.00 0.00 179.25 178.42 3iw5 h ARG 256 N 0.09 -0.65 -0.79 0.00 2.43 -1.04 -1.83 114.38 112.58 3iw5 h ARG 256 Ca 0.22 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3iw5 h ARG 256 Cb 0.33 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3iw5 h ARG 256 CO -0.39 -0.44 0.44 -0.91 -1.51 0.00 0.00 179.97 177.16 3iw5 h ASN 257 N -0.68 0.98 0.10 -3.80 -0.26 -1.06 -2.45 115.58 108.41 3iw5 h ASN 257 Ca 0.00 -0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3iw5 h ASN 257 Cb 0.66 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 3iw5 h ASN 257 CO -0.16 0.79 -0.15 0.22 -1.06 0.00 0.00 177.43 177.07 3iw5 h TYR 258 N 1.11 -0.40 -0.34 1.19 3.20 -0.82 -1.57 116.97 119.34 3iw5 h TYR 258 Ca 0.28 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3iw5 h TYR 258 Cb 0.02 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 3iw5 h TYR 258 CO 0.01 -0.23 -0.09 0.82 -1.64 0.00 0.00 178.16 177.02 3iw5 h ILE 259 N -0.30 0.64 -0.88 1.81 2.04 -1.04 -2.00 117.51 117.78 3iw5 h ILE 259 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3iw5 h ILE 259 Cb 0.32 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 3iw5 h ILE 259 CO -0.08 0.00 0.58 1.56 0.00 0.00 0.00 178.15 180.21 3iw5 h GLN 260 N -0.01 1.13 0.00 2.37 4.20 -1.35 0.21 115.11 121.66 3iw5 h GLN 260 Ca 0.17 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3iw5 h GLN 260 Cb 0.27 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3iw5 h GLN 260 CO -0.36 0.75 0.04 -1.13 -0.67 0.00 0.00 178.83 177.46 3iw5 n SER 261 N -4.41 0.00 -4.77 1.46 3.41 -0.60 -4.66 113.62 104.05 3iw5 n SER 261 Ca 0.10 0.41 -0.39 0.00 -0.26 0.00 0.00 58.87 58.73 3iw5 n SER 261 Cb 0.04 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3iw5 n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iw5 s LEU 262 N -2.81 4.56 0.01 1.04 1.43 0.75 -5.02 118.68 118.64 3iw5 s LEU 262 Ca 0.00 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 3iw5 s LEU 262 Cb 0.00 -3.26 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 3iw5 s LEU 262 CO 0.00 0.17 1.76 -0.89 0.23 0.00 0.00 176.35 177.62 3iw5 s THR 263 N -0.89 3.23 0.31 5.49 2.01 -1.26 -4.94 115.64 119.59 3iw5 s THR 263 Ca 0.36 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 3iw5 s THR 263 Cb -0.22 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.91 3iw5 s THR 263 CO 0.25 -0.03 1.55 -1.10 -0.69 0.00 0.00 174.62 174.61 3iw5 s GLN 264 N 3.77 4.13 -0.01 4.92 -0.21 -1.26 -4.94 119.66 126.06 3iw5 s GLN 264 Ca 0.79 2.56 0.06 0.00 0.02 0.00 0.00 55.36 58.79 3iw5 s GLN 264 Cb -0.38 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.60 3iw5 s GLN 264 CO 0.34 -0.59 -0.20 0.00 -2.12 0.00 0.00 175.29 172.72 3iw5 s MET 265 N -0.92 1.56 0.51 2.91 0.23 -1.26 -4.98 119.30 117.35 3iw5 s MET 265 Ca 0.60 -0.74 -0.22 0.00 -1.03 0.00 0.00 55.69 54.30 3iw5 s MET 265 Cb -0.47 -1.53 -0.06 0.00 -1.53 0.00 0.00 34.83 31.24 3iw5 s MET 265 CO 0.52 0.41 1.23 -1.25 -2.03 0.00 0.00 175.02 173.91 3iw5 s PRO 266 N -0.58 3.41 0.31 3.16 0.04 -1.26 -1.97 135.00 138.10 3iw5 s PRO 266 Ca 0.07 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 3iw5 s PRO 266 Cb -0.08 -2.26 -0.13 0.00 0.04 0.00 0.00 34.50 32.07 3iw5 s PRO 266 CO -0.00 -0.88 1.27 1.17 0.04 0.00 0.00 177.00 178.59 3iw5 n LYS 267 N -0.88 1.95 -2.54 4.56 4.81 -1.26 -3.91 118.16 120.89 3iw5 n LYS 267 Ca 0.10 0.69 -0.35 0.00 -0.87 0.00 0.00 58.31 57.87 3iw5 n LYS 267 Cb 0.47 -2.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.24 3iw5 n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3iw5 s MET 268 N -1.45 3.90 0.11 1.64 -1.94 0.11 -4.87 119.30 116.79 3iw5 s MET 268 Ca 0.59 1.41 -0.30 0.00 -1.71 0.00 0.00 55.69 55.69 3iw5 s MET 268 Cb -0.62 -2.23 -0.06 0.00 2.01 0.00 0.00 34.83 33.94 3iw5 s MET 268 CO 0.59 -0.36 1.10 1.21 -0.01 0.00 0.00 175.02 177.55 3iw5 s ASN 269 N -1.85 7.25 0.21 3.03 3.04 -1.26 -4.89 114.94 120.47 3iw5 s ASN 269 Ca 0.65 1.97 0.08 0.00 0.04 0.00 0.00 52.86 55.60 3iw5 s ASN 269 Cb -0.18 -2.59 0.13 0.00 -1.54 0.00 0.00 41.25 37.07 3iw5 s ASN 269 CO 0.22 -0.28 1.48 -0.26 -3.04 0.00 0.00 177.10 175.22 3iw5 h PHE 270 N 5.90 0.04 -0.87 0.43 0.05 -1.95 -2.47 116.94 118.08 3iw5 h PHE 270 Ca -0.43 -0.02 0.22 0.00 3.82 0.00 0.00 57.97 61.55 3iw5 h PHE 270 Cb 1.21 -0.01 -0.05 0.00 2.00 0.00 0.00 35.95 39.10 3iw5 h PHE 270 CO 0.65 0.79 0.59 0.00 -0.18 0.00 0.00 178.31 180.16 3iw5 h ALA 271 N 1.20 2.42 0.00 2.45 0.00 -1.93 0.64 119.26 124.04 3iw5 h ALA 271 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iw5 h ALA 271 Cb 1.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3iw5 h ALA 271 CO 0.10 -0.68 -0.16 -0.91 0.00 0.00 0.00 179.25 177.60 3iw5 h ASN 272 N 0.25 0.00 0.27 0.00 2.35 -1.85 -3.22 115.58 113.38 3iw5 h ASN 272 Ca 0.44 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.86 3iw5 h ASN 272 Cb 1.32 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.63 3iw5 h ASN 272 CO -0.11 0.16 -2.01 0.52 -1.65 0.00 0.00 177.43 174.34 3iw5 n VAL 273 N -3.17 1.54 -2.97 2.81 0.31 0.71 -4.42 118.33 113.14 3iw5 n VAL 273 Ca 0.02 -0.79 -0.30 0.00 -0.01 0.00 0.00 64.34 63.26 3iw5 n VAL 273 Cb 0.54 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 3iw5 n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3iw5 n PHE 274 N -2.99 3.72 -1.45 3.52 3.01 0.19 -5.05 117.46 118.40 3iw5 n PHE 274 Ca -0.25 -3.73 -0.56 0.00 1.01 0.00 0.00 57.45 53.91 3iw5 n PHE 274 Cb 1.09 -0.65 -0.09 0.00 -0.01 0.00 0.00 39.48 39.82 3iw5 n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3iw5 n ILE 275 N 0.02 0.13 -1.08 4.37 2.08 -1.22 -1.53 119.36 122.14 3iw5 n ILE 275 Ca 0.33 -0.11 -0.03 0.00 0.56 0.00 0.00 62.75 63.50 3iw5 n ILE 275 Cb 0.37 -1.09 -0.01 0.00 -0.75 0.00 0.00 39.64 38.15 3iw5 n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3iw5 n GLY 276 N 6.25 0.60 3.85 7.39 0.00 -1.26 -5.05 105.19 116.96 3iw5 n GLY 276 Ca 0.42 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3iw5 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw5 s ALA 277 N -1.98 2.99 -0.19 4.61 0.00 -0.58 -4.96 121.76 121.64 3iw5 s ALA 277 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 51.96 51.62 3iw5 s ALA 277 Cb 0.00 -3.12 -0.19 0.00 0.00 0.00 0.00 23.12 19.81 3iw5 s ALA 277 CO 0.00 -0.64 1.41 -1.71 0.00 0.00 0.00 175.76 174.83 3iw5 n ASN 278 N -2.35 1.13 0.27 0.00 2.85 -1.26 -4.82 115.26 111.08 3iw5 n ASN 278 Ca 0.07 1.15 0.13 0.00 -0.11 0.00 0.00 54.58 55.81 3iw5 n ASN 278 Cb 0.54 -1.00 0.79 0.00 1.24 0.00 0.00 39.78 41.35 3iw5 n ASN 278 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iw5 h PRO 279 N 4.71 0.00 -0.26 1.20 0.13 -1.97 0.17 132.00 135.98 3iw5 h PRO 279 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3iw5 h PRO 279 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 3iw5 h PRO 279 CO 0.83 0.08 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.53 3iw5 h LEU 280 N 0.00 0.40 -0.41 1.56 3.38 -2.00 -0.56 115.31 117.68 3iw5 h LEU 280 Ca -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3iw5 h LEU 280 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3iw5 h LEU 280 CO 0.01 0.52 0.05 0.00 0.09 0.00 0.00 178.44 179.11 3iw5 h ALA 281 N 1.53 0.54 -0.21 1.53 0.00 -1.02 -2.40 119.26 119.23 3iw5 h ALA 281 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iw5 h ALA 281 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iw5 h ALA 281 CO 0.02 0.27 0.08 0.28 0.00 0.00 0.00 179.25 179.91 3iw5 h VAL 282 N 0.53 1.17 -0.05 0.00 2.07 -1.28 -2.48 116.25 116.20 3iw5 h VAL 282 Ca 0.12 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3iw5 h VAL 282 Cb 0.40 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3iw5 h VAL 282 CO 0.01 0.16 -0.18 -0.78 0.02 0.00 0.00 177.57 176.80 3iw5 h ASP 283 N 0.18 -0.55 -0.11 0.57 3.58 -0.90 -1.72 116.42 117.48 3iw5 h ASP 283 Ca 0.07 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.62 3iw5 h ASP 283 Cb 0.18 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3iw5 h ASP 283 CO -0.01 -0.24 0.01 0.25 -2.88 0.00 0.00 179.24 176.37 3iw5 h LEU 284 N -0.27 -0.02 -1.19 2.28 5.85 -1.45 -1.91 115.31 118.60 3iw5 h LEU 284 Ca 0.07 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.94 3iw5 h LEU 284 Cb 0.37 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3iw5 h LEU 284 CO -0.21 0.01 0.59 -0.07 -0.34 0.00 0.00 178.44 178.42 3iw5 h LEU 285 N 0.05 0.75 -1.31 2.25 3.38 -1.14 0.45 115.31 119.74 3iw5 h LEU 285 Ca 0.05 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3iw5 h LEU 285 Cb 0.05 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3iw5 h LEU 285 CO -0.08 0.39 0.51 -0.33 0.09 0.00 0.00 178.44 179.03 3iw5 h GLU 286 N 0.81 0.80 0.00 1.13 4.39 -0.54 -0.19 114.58 120.98 3iw5 h GLU 286 Ca 0.46 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 3iw5 h GLU 286 Cb 0.61 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3iw5 h GLU 286 CO -0.22 0.53 -0.03 0.87 -1.16 0.00 0.00 179.01 179.00 3iw5 h LYS 287 N 0.82 0.00 0.17 2.33 1.57 0.25 -3.31 116.57 118.40 3iw5 h LYS 287 Ca 0.34 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.77 3iw5 h LYS 287 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 3iw5 h LYS 287 CO -0.12 0.00 -1.76 0.52 -0.57 0.00 0.00 179.45 177.52 3iw5 h MET 288 N 0.00 0.37 -2.05 3.15 2.86 -0.20 -1.55 114.93 117.51 3iw5 h MET 288 Ca 0.00 -0.63 -0.76 0.00 -2.06 0.00 0.00 59.70 56.25 3iw5 h MET 288 Cb 0.89 0.23 -0.28 0.00 0.06 0.00 0.00 31.60 32.50 3iw5 h MET 288 CO 0.00 1.30 0.90 1.28 1.06 0.00 0.00 176.91 181.45 3iw5 n LEU 289 N -3.61 7.23 -4.88 1.22 4.77 -0.15 -4.24 117.00 117.33 3iw5 n LEU 289 Ca -0.26 -5.04 -0.37 0.00 -0.03 0.00 0.00 56.01 50.31 3iw5 n LEU 289 Cb 1.06 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3iw5 n LEU 289 CO 0.49 1.89 -0.16 0.68 -1.33 0.00 0.00 177.39 178.96 3iw5 s VAL 290 N -4.88 5.48 0.12 4.08 -7.23 -1.26 -4.89 120.40 111.82 3iw5 s VAL 290 Ca 0.48 0.18 -0.20 0.00 -1.81 0.00 0.00 61.98 60.63 3iw5 s VAL 290 Cb 0.36 -3.43 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 3iw5 s VAL 290 CO -0.32 0.58 1.76 0.25 -0.31 0.00 0.00 175.10 177.06 3iw5 h LEU 291 N 4.80 0.14 -9.18 1.32 5.85 -1.91 -3.40 115.31 112.94 3iw5 h LEU 291 Ca -0.54 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.62 3iw5 h LEU 291 Cb 1.22 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3iw5 h LEU 291 CO 0.60 0.11 0.85 -0.62 -0.34 0.00 0.00 178.44 179.03 3iw5 s ASP 292 N -5.32 6.99 0.34 1.25 -1.08 -1.26 -4.92 116.67 112.66 3iw5 s ASP 292 Ca -0.13 1.69 0.16 0.00 -0.52 0.00 0.00 52.55 53.75 3iw5 s ASP 292 Cb 0.09 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.52 3iw5 s ASP 292 CO 0.69 -0.71 1.66 0.77 0.52 0.00 0.00 175.17 178.10 3iw5 h SER 293 N 7.96 0.00 0.52 -0.34 4.64 -1.98 -0.61 113.55 123.74 3iw5 h SER 293 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3iw5 h SER 293 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3iw5 h SER 293 CO 0.95 0.46 0.00 0.44 -0.87 0.00 0.00 176.83 177.81 3iw5 h ASP 294 N 0.00 0.00 -0.31 4.97 3.45 -1.94 -2.98 116.42 119.61 3iw5 h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3iw5 h ASP 294 Cb 1.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 3iw5 h ASP 294 CO 0.06 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 178.02 3iw5 n LYS 295 N -2.44 2.25 -3.30 3.56 4.76 -0.24 -4.94 118.16 117.81 3iw5 n LYS 295 Ca 0.01 -2.07 -0.38 0.00 -2.87 0.00 0.00 58.31 53.00 3iw5 n LYS 295 Cb 0.18 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 3iw5 n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3iw5 s ARG 296 N -1.35 4.14 0.41 1.97 0.52 -1.13 -4.90 118.95 118.61 3iw5 s ARG 296 Ca 0.32 0.67 -0.24 0.00 -0.52 0.00 0.00 55.73 55.96 3iw5 s ARG 296 Cb 0.19 -3.16 -0.11 0.00 0.52 0.00 0.00 34.95 32.38 3iw5 s ARG 296 CO 0.27 0.60 0.81 1.51 0.02 0.00 0.00 175.30 178.51 3iw5 n ILE 297 N 1.51 2.19 -2.44 1.52 3.06 -0.58 -5.01 119.36 119.61 3iw5 n ILE 297 Ca -0.09 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.42 3iw5 n ILE 297 Cb 0.51 -0.86 0.08 0.00 0.54 0.00 0.00 39.64 39.91 3iw5 n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3iw5 s THR 298 N -1.34 2.35 0.13 9.51 -4.23 -1.26 -4.90 115.64 115.89 3iw5 s THR 298 Ca 0.64 -0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 3iw5 s THR 298 Cb -0.59 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 3iw5 s THR 298 CO 0.57 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 176.13 3iw5 h ALA 299 N -0.43 0.53 -0.68 3.99 0.00 -1.93 -1.20 119.26 119.54 3iw5 h ALA 299 Ca -0.41 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3iw5 h ALA 299 Cb 1.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3iw5 h ALA 299 CO 0.50 0.52 0.43 0.00 0.00 0.00 0.00 179.25 180.70 3iw5 h ALA 300 N 0.78 0.86 -0.38 0.00 0.00 -1.93 -1.46 119.26 117.12 3iw5 h ALA 300 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3iw5 h ALA 300 Cb 0.81 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3iw5 h ALA 300 CO 0.07 0.32 0.07 1.96 0.00 0.00 0.00 179.25 181.66 3iw5 h GLN 301 N 0.92 0.63 -0.46 0.00 4.20 -1.90 -3.11 115.11 115.39 3iw5 h GLN 301 Ca 0.25 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.85 3iw5 h GLN 301 Cb -0.06 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 3iw5 h GLN 301 CO -0.05 0.69 0.16 0.00 -0.67 0.00 0.00 178.83 178.96 3iw5 h ALA 302 N 0.92 0.55 -0.06 3.87 0.00 -1.01 -0.74 119.26 122.79 3iw5 h ALA 302 Ca 0.12 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3iw5 h ALA 302 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iw5 h ALA 302 CO 0.01 -0.23 0.15 -0.07 0.00 0.00 0.00 179.25 179.11 3iw5 h LEU 303 N 0.33 0.00 -1.11 0.00 3.38 -1.20 0.20 115.31 116.91 3iw5 h LEU 303 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iw5 h LEU 303 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iw5 h LEU 303 CO -0.23 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.22 3iw5 n ALA 304 N -2.13 2.71 -1.77 1.53 0.00 -0.30 -4.75 120.51 115.80 3iw5 n ALA 304 Ca -0.01 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 3iw5 n ALA 304 Cb 0.24 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3iw5 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iw5 s HIS 305 N -2.12 3.39 0.49 0.00 5.04 0.69 -4.93 115.29 117.85 3iw5 s HIS 305 Ca 0.32 1.67 0.15 0.00 -1.54 0.00 0.00 55.06 55.66 3iw5 s HIS 305 Cb 0.20 -3.19 1.14 0.00 0.04 0.00 0.00 32.58 30.77 3iw5 s HIS 305 CO 0.38 -0.60 2.08 0.00 -2.34 0.00 0.00 174.74 174.26 3iw5 h ALA 306 N 3.04 1.86 -1.24 1.58 0.00 -1.91 -1.26 119.26 121.32 3iw5 h ALA 306 Ca -0.48 -0.08 0.36 0.00 0.00 0.00 0.00 54.91 54.72 3iw5 h ALA 306 Cb 1.21 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3iw5 h ALA 306 CO 0.64 0.11 1.01 -0.92 0.00 0.00 0.00 179.25 180.09 3iw5 h TYR 307 N 0.00 0.00 -0.75 0.00 3.20 -1.91 0.24 116.97 117.75 3iw5 h TYR 307 Ca -0.00 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.50 3iw5 h TYR 307 Cb 0.15 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 38.20 3iw5 h TYR 307 CO 0.00 0.00 0.36 1.19 -1.64 0.00 0.00 178.16 178.07 3iw5 n PHE 308 N -3.86 2.32 -0.24 -3.82 3.01 -0.47 -4.66 117.46 109.73 3iw5 n PHE 308 Ca 0.27 -1.70 0.02 0.00 1.01 0.00 0.00 57.45 57.06 3iw5 n PHE 308 Cb 1.41 -0.76 0.14 0.00 -0.01 0.00 0.00 39.48 40.26 3iw5 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iw5 h ALA 309 N 1.16 0.96 0.00 4.37 0.00 -0.69 0.25 119.26 125.30 3iw5 h ALA 309 Ca 0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3iw5 h ALA 309 Cb 2.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.20 3iw5 h ALA 309 CO 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3iw5 n GLN 310 N -4.93 0.08 0.00 0.00 10.64 -1.26 -3.71 117.38 118.19 3iw5 n GLN 310 Ca 0.11 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 3iw5 n GLN 310 Cb 0.31 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 3iw5 n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3iw5 n TYR 311 N -1.44 0.00 -1.95 2.61 4.02 -0.45 -5.04 117.16 114.91 3iw5 n TYR 311 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 3iw5 n TYR 311 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 3iw5 n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3iw5 s HIS 312 N -1.56 2.16 -0.29 -0.72 2.46 0.74 -4.98 115.29 113.09 3iw5 s HIS 312 Ca 0.00 0.22 -0.01 0.00 0.47 0.00 0.00 55.06 55.75 3iw5 s HIS 312 Cb 0.00 -3.95 0.09 0.00 -0.13 0.00 0.00 32.58 28.59 3iw5 s HIS 312 CO 0.00 -3.94 0.07 0.34 -2.47 0.00 0.00 174.74 168.75 3iw5 s ASP 313 N 2.95 3.91 0.57 9.88 -1.08 -1.26 -4.99 116.67 126.65 3iw5 s ASP 313 Ca 0.74 -1.52 0.27 0.00 -0.52 0.00 0.00 52.55 51.52 3iw5 s ASP 313 Cb -0.37 -0.90 1.54 0.00 -1.46 0.00 0.00 42.92 41.73 3iw5 s ASP 313 CO 0.32 -0.38 2.04 1.55 0.52 0.00 0.00 175.17 179.22 3iw5 h PRO 314 N 8.07 0.00 -0.01 4.34 0.13 -1.96 -0.33 132.00 142.23 3iw5 h PRO 314 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3iw5 h PRO 314 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3iw5 h PRO 314 CO 0.45 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.87 3iw5 n ASP 315 N -3.97 1.56 -3.06 1.44 10.43 -1.26 -4.31 116.55 117.39 3iw5 n ASP 315 Ca 0.04 -1.38 -0.21 0.00 2.57 0.00 0.00 54.79 55.81 3iw5 n ASP 315 Cb 0.44 0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.43 3iw5 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3iw5 n ASP 316 N 0.06 2.32 -3.08 -2.24 4.64 -0.13 -4.88 116.55 113.24 3iw5 n ASP 316 Ca 0.16 -3.27 -0.19 0.00 -1.38 0.00 0.00 54.79 50.10 3iw5 n ASP 316 Cb 0.39 -0.59 -0.03 0.00 -1.04 0.00 0.00 41.12 39.84 3iw5 n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3iw5 n GLU 317 N 0.05 0.76 -0.88 -0.67 1.02 -1.25 -4.86 120.64 114.82 3iw5 n GLU 317 Ca 0.27 -2.86 -0.29 0.00 -0.02 0.00 0.00 57.16 54.26 3iw5 n GLU 317 Cb 0.56 -1.31 0.20 0.00 -0.02 0.00 0.00 31.44 30.87 3iw5 n GLU 317 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3iw5 s PRO 318 N -0.84 0.03 0.14 3.49 0.02 -1.26 -4.96 135.00 131.62 3iw5 s PRO 318 Ca 0.34 0.77 0.07 0.00 0.02 0.00 0.00 61.00 62.21 3iw5 s PRO 318 Cb 0.20 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 33.02 3iw5 s PRO 318 CO -0.14 -3.07 -0.16 0.08 -0.33 0.00 0.00 177.00 173.38 3iw5 s VAL 319 N -2.73 1.52 0.17 3.83 1.01 -1.26 -4.24 120.40 118.71 3iw5 s VAL 319 Ca 0.66 -1.78 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3iw5 s VAL 319 Cb -0.21 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3iw5 s VAL 319 CO 0.60 -0.37 0.19 0.00 0.00 0.00 0.00 175.10 175.52 3iw5 s ALA 320 N -2.07 3.68 0.49 5.51 0.00 -1.26 -5.06 121.76 123.05 3iw5 s ALA 320 Ca 0.11 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 3iw5 s ALA 320 Cb -0.05 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 3iw5 s ALA 320 CO 0.04 0.47 1.23 -0.51 0.00 0.00 0.00 175.76 177.00 3iw5 s ASP 321 N -3.25 5.85 0.17 0.00 1.01 -1.26 -4.48 116.67 114.71 3iw5 s ASP 321 Ca 0.32 2.47 -0.32 0.00 0.71 0.00 0.00 52.55 55.73 3iw5 s ASP 321 Cb -0.10 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 41.06 3iw5 s ASP 321 CO 0.25 -1.15 1.09 -2.65 0.21 0.00 0.00 175.17 172.92 3iw5 n PRO 322 N -0.68 1.01 -3.69 8.23 -0.02 -1.26 -4.58 135.00 134.02 3iw5 n PRO 322 Ca 0.08 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 3iw5 n PRO 322 Cb 0.47 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 3iw5 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3iw5 s TYR 323 N -0.32 3.17 -0.74 6.00 5.04 -1.14 -5.02 117.35 124.35 3iw5 s TYR 323 Ca 0.72 -0.77 -0.26 0.00 -2.44 0.00 0.00 57.07 54.33 3iw5 s TYR 323 Cb -0.87 -2.32 -0.08 0.00 0.35 0.00 0.00 41.96 39.03 3iw5 s TYR 323 CO 0.53 -0.52 2.20 0.34 -1.34 0.00 0.00 175.55 176.76 3iw5 s ASP 324 N 1.56 4.55 0.00 4.32 2.15 -1.26 -4.80 116.67 123.19 3iw5 s ASP 324 Ca 0.04 0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.23 3iw5 s ASP 324 Cb -0.17 -2.54 0.68 0.00 -0.30 0.00 0.00 42.92 40.58 3iw5 s ASP 324 CO 0.05 -3.15 1.37 0.00 -0.17 0.00 0.00 175.17 173.26 3iw5 n GLN 325 N 8.92 0.17 0.03 4.34 6.02 -1.26 -3.67 117.38 131.94 3iw5 n GLN 325 Ca 0.39 0.17 -0.11 0.00 -0.01 0.00 0.00 57.00 57.44 3iw5 n GLN 325 Cb 0.48 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.10 3iw5 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3iw5 h SER 326 N 0.00 0.14 -0.79 1.08 4.64 -1.98 -3.26 113.55 113.39 3iw5 h SER 326 Ca 0.00 -0.20 0.13 0.00 -0.47 0.00 0.00 61.79 61.24 3iw5 h SER 326 Cb 0.14 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 3iw5 h SER 326 CO 0.00 1.17 0.52 -0.07 -0.87 0.00 0.00 176.83 177.58 3iw5 h LEU 327 N 0.02 0.54 0.00 5.97 3.38 -1.99 -2.74 115.31 120.50 3iw5 h LEU 327 Ca -0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3iw5 h LEU 327 Cb 1.94 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3iw5 h LEU 327 CO 0.12 0.29 -0.14 1.05 0.09 0.00 0.00 178.44 179.86 3iw5 h GLU 328 N 0.58 0.00 -0.42 1.13 4.11 -1.77 -3.34 114.58 114.87 3iw5 h GLU 328 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.58 3iw5 h GLU 328 Cb 0.67 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.78 3iw5 h GLU 328 CO -0.15 0.00 -0.04 -1.13 0.07 0.00 0.00 179.01 177.76 3iw5 n SER 329 N -2.27 2.69 -4.87 3.06 3.41 -1.03 -4.92 113.62 109.69 3iw5 n SER 329 Ca 0.05 -3.79 -0.29 0.00 -0.26 0.00 0.00 58.87 54.58 3iw5 n SER 329 Cb 0.44 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 63.83 3iw5 n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iw5 s ARG 330 N -3.28 1.84 -0.56 4.33 0.52 -1.23 -5.06 118.95 115.50 3iw5 s ARG 330 Ca 0.46 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 3iw5 s ARG 330 Cb 0.42 -1.93 0.14 0.00 0.52 0.00 0.00 34.95 34.10 3iw5 s ARG 330 CO 0.00 -1.70 0.34 -0.51 0.02 0.00 0.00 175.30 173.45 3iw5 s ASP 331 N -4.45 4.82 0.24 0.23 1.01 -1.26 -5.09 116.67 112.18 3iw5 s ASP 331 Ca 0.62 -2.86 0.07 0.00 0.71 0.00 0.00 52.55 51.09 3iw5 s ASP 331 Cb -0.12 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3iw5 s ASP 331 CO 0.50 -0.32 0.14 -0.76 0.21 0.00 0.00 175.17 174.95 3iw5 s LEU 332 N -0.07 3.69 0.84 1.23 1.43 -1.26 -5.10 118.68 119.43 3iw5 s LEU 332 Ca 0.16 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 3iw5 s LEU 332 Cb -0.23 -2.23 0.10 0.00 0.03 0.00 0.00 46.19 43.86 3iw5 s LEU 332 CO -0.02 -0.01 1.09 -0.76 0.23 0.00 0.00 176.35 176.88 3iw5 s LEU 333 N -3.65 2.63 0.29 1.79 1.43 -1.26 -4.86 118.68 115.05 3iw5 s LEU 333 Ca 0.32 1.67 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 3iw5 s LEU 333 Cb -0.08 -4.21 0.55 0.00 0.03 0.00 0.00 46.19 42.47 3iw5 s LEU 333 CO 0.24 -2.39 1.88 -0.29 0.23 0.00 0.00 176.35 176.01 3iw5 h ILE 334 N -1.38 1.00 0.00 -0.59 2.10 -1.94 -1.85 117.51 114.85 3iw5 h ILE 334 Ca -0.47 -0.35 -0.09 0.00 1.08 0.00 0.00 64.86 65.03 3iw5 h ILE 334 Cb 1.26 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3iw5 h ILE 334 CO 0.52 0.18 -0.44 0.44 -1.08 0.00 0.00 178.15 177.78 3iw5 h ASP 335 N 1.01 0.00 0.32 2.19 3.45 -1.98 -1.64 116.42 119.78 3iw5 h ASP 335 Ca 0.44 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.88 3iw5 h ASP 335 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3iw5 h ASP 335 CO -0.20 0.44 -0.15 -0.33 -1.57 0.00 0.00 179.24 177.43 3iw5 h GLU 336 N 0.00 -0.42 -0.75 3.56 5.08 -1.72 -1.28 114.58 119.06 3iw5 h GLU 336 Ca -0.00 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 3iw5 h GLU 336 Cb 1.31 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 3iw5 h GLU 336 CO 0.06 -0.09 0.29 -1.49 -1.00 0.00 0.00 179.01 176.78 3iw5 h TRP 337 N -0.84 0.49 -0.46 4.33 -0.00 -1.45 -0.13 115.95 117.90 3iw5 h TRP 337 Ca -0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3iw5 h TRP 337 Cb 0.52 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 3iw5 h TRP 337 CO 0.03 0.05 0.24 -0.22 -0.00 0.00 0.00 178.44 178.54 3iw5 h LYS 338 N 0.43 0.65 -0.33 0.49 3.64 -1.23 0.62 116.57 120.84 3iw5 h LYS 338 Ca 0.41 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.54 3iw5 h LYS 338 Cb 0.64 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3iw5 h LYS 338 CO -0.41 0.53 -0.47 1.03 -2.27 0.00 0.00 179.45 177.86 3iw5 h SER 339 N 0.61 0.98 -0.32 4.20 0.87 -0.57 -0.99 113.55 118.32 3iw5 h SER 339 Ca 0.16 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 3iw5 h SER 339 Cb 0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3iw5 h SER 339 CO -0.02 1.28 0.10 -0.07 -0.53 0.00 0.00 176.83 177.59 3iw5 h LEU 340 N 0.71 0.53 -0.30 2.23 3.38 -0.76 -1.19 115.31 119.91 3iw5 h LEU 340 Ca 0.04 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3iw5 h LEU 340 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3iw5 h LEU 340 CO 0.11 0.53 -0.59 0.74 0.09 0.00 0.00 178.44 179.32 3iw5 h THR 341 N 0.57 1.28 0.12 0.22 2.02 -0.63 -2.68 112.91 113.81 3iw5 h THR 341 Ca 0.13 -1.78 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3iw5 h THR 341 Cb 0.21 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3iw5 h THR 341 CO -0.00 0.58 -0.06 0.22 0.37 0.00 0.00 175.52 176.62 3iw5 h TYR 342 N 0.62 -0.16 -0.87 3.16 3.20 -0.94 -0.75 116.97 121.23 3iw5 h TYR 342 Ca 0.00 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.04 3iw5 h TYR 342 Cb 1.20 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.41 3iw5 h TYR 342 CO 0.07 -0.10 0.43 -0.44 -1.64 0.00 0.00 178.16 176.48 3iw5 h ASP 343 N -0.16 0.47 -0.61 -2.11 3.32 -1.24 0.37 116.42 116.46 3iw5 h ASP 343 Ca -0.01 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3iw5 h ASP 343 Cb 0.13 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3iw5 h ASP 343 CO 0.02 0.14 0.21 -0.33 -1.72 0.00 0.00 179.24 177.56 3iw5 h GLU 344 N 0.55 0.97 -0.79 3.56 4.39 -1.00 0.15 114.58 122.41 3iw5 h GLU 344 Ca 0.50 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 3iw5 h GLU 344 Cb 0.81 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3iw5 h GLU 344 CO -0.42 0.83 0.31 0.28 -1.16 0.00 0.00 179.01 178.85 3iw5 h VAL 345 N 0.94 1.26 -0.28 3.13 2.07 0.40 -2.93 116.25 120.84 3iw5 h VAL 345 Ca 0.21 -0.82 -0.15 0.00 0.82 0.00 0.00 66.70 66.76 3iw5 h VAL 345 Cb 0.26 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3iw5 h VAL 345 CO -0.01 0.34 -0.40 0.40 0.02 0.00 0.00 177.57 177.92 3iw5 h ILE 346 N 1.15 1.30 0.00 4.57 1.08 0.46 -3.16 117.51 122.90 3iw5 h ILE 346 Ca 0.26 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 3iw5 h ILE 346 Cb 0.22 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 3iw5 h ILE 346 CO -0.02 0.51 0.00 -1.54 -0.69 0.00 0.00 178.15 176.41 3iw5 n SER 347 N -4.17 0.15 -4.67 1.72 3.41 0.37 -4.89 113.62 105.54 3iw5 n SER 347 Ca -0.04 0.52 -0.44 0.00 -0.26 0.00 0.00 58.87 58.65 3iw5 n SER 347 Cb 0.54 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 3iw5 n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3iw5 n PHE 348 N -1.65 2.02 -3.94 7.33 7.35 -1.11 -5.01 117.46 122.45 3iw5 n PHE 348 Ca 0.06 0.55 -0.27 0.00 -0.76 0.00 0.00 57.45 57.02 3iw5 n PHE 348 Cb 0.30 -2.39 -0.17 0.00 0.35 0.00 0.00 39.48 37.57 3iw5 n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3iw5 s VAL 349 N -0.72 1.15 0.47 -2.13 1.01 -1.26 -5.08 120.40 113.83 3iw5 s VAL 349 Ca 0.61 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 3iw5 s VAL 349 Cb -0.63 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 3iw5 s VAL 349 CO 0.57 0.39 1.11 -2.65 0.00 0.00 0.00 175.10 174.52 3iw5 n PRO 350 N 4.88 1.47 -0.94 2.72 -0.02 -1.26 -4.97 135.00 136.88 3iw5 n PRO 350 Ca -0.14 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3iw5 n PRO 350 Cb 0.50 -2.21 0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3iw5 n PRO 350 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iw5 s PRO 351 N -2.28 1.46 0.32 0.52 0.04 -1.26 -4.93 135.00 128.87 3iw5 s PRO 351 Ca 0.65 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 3iw5 s PRO 351 Cb -0.50 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3iw5 s PRO 351 CO 0.55 -2.25 1.50 -0.35 0.04 0.00 0.00 177.00 176.48 3iw5 n PRO 352 N -3.96 2.53 0.00 0.56 -0.04 -1.26 -5.13 135.00 127.71 3iw5 n PRO 352 Ca 0.10 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 3iw5 n PRO 352 Cb 0.53 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3iw5 n PRO 352 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35