#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu4 h SER 2 N 0.00 0.00 0.63 -2.24 4.64 -2.01 -1.77 113.55 112.79 1iu4 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iu4 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1iu4 h SER 2 CO 0.00 0.10 -0.12 0.47 -0.87 0.00 0.00 176.83 176.42 1iu4 n ASP 3 N -4.32 0.24 -3.61 4.97 8.00 -1.26 -2.51 116.55 118.05 1iu4 n ASP 3 Ca -0.03 -0.10 -0.40 0.00 0.71 0.00 0.00 54.79 54.98 1iu4 n ASP 3 Cb 0.18 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1iu4 n ASP 3 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iu4 n ASP 4 N -1.28 -0.97 -4.75 -2.24 10.43 -0.67 -4.79 116.55 112.28 1iu4 n ASP 4 Ca 0.11 0.93 -0.41 0.00 2.57 0.00 0.00 54.79 57.98 1iu4 n ASP 4 Cb 0.30 -0.78 -0.02 0.00 1.84 0.00 0.00 41.12 42.46 1iu4 n ASP 4 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1iu4 s ARG 5 N -0.78 4.22 -0.08 -1.24 3.52 -1.26 -4.56 118.95 118.77 1iu4 s ARG 5 Ca 0.54 2.39 0.02 0.00 -0.13 0.00 0.00 55.73 58.55 1iu4 s ARG 5 Cb -0.78 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 1iu4 s ARG 5 CO 0.46 -0.48 -0.12 0.08 -0.81 0.00 0.00 175.30 174.43 1iu4 s VAL 6 N -0.06 1.16 -0.06 7.11 1.01 0.16 -5.03 120.40 124.70 1iu4 s VAL 6 Ca 0.60 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1iu4 s VAL 6 Cb -0.44 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1iu4 s VAL 6 CO 0.45 0.37 1.43 0.28 0.00 0.00 0.00 175.10 177.63 1iu4 s THR 7 N 0.87 3.82 0.74 3.92 -1.32 -1.26 -4.68 115.64 117.74 1iu4 s THR 7 Ca -0.10 1.11 -0.15 0.00 -1.21 0.00 0.00 61.69 61.33 1iu4 s THR 7 Cb -0.15 -3.71 0.01 0.00 -1.51 0.00 0.00 72.50 67.13 1iu4 s THR 7 CO 0.01 -0.05 0.89 -2.65 -2.21 0.00 0.00 174.62 170.61 1iu4 n PRO 8 N 6.15 0.40 -1.96 7.08 -0.02 -1.26 -4.97 135.00 140.42 1iu4 n PRO 8 Ca 0.14 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 1iu4 n PRO 8 Cb 0.44 -2.16 0.12 0.00 -0.02 0.00 0.00 33.50 31.87 1iu4 n PRO 8 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1iu4 s PRO 9 N -3.33 1.59 0.12 0.52 0.04 -1.26 -4.90 135.00 127.79 1iu4 s PRO 9 Ca 0.71 -0.11 -0.31 0.00 0.04 0.00 0.00 61.00 61.33 1iu4 s PRO 9 Cb -0.33 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1iu4 s PRO 9 CO 0.52 -1.79 1.63 0.00 0.04 0.00 0.00 177.00 177.40 1iu4 s ALA 10 N -3.62 3.74 -0.39 8.56 0.00 -1.26 -5.02 121.76 123.77 1iu4 s ALA 10 Ca 0.65 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.76 1iu4 s ALA 10 Cb -0.09 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.37 1iu4 s ALA 10 CO 0.50 -0.96 0.42 -1.21 0.00 0.00 0.00 175.76 174.50 1iu4 s GLU 11 N 1.93 3.29 0.25 0.00 0.41 -1.26 -5.07 118.70 118.25 1iu4 s GLU 11 Ca 0.73 -0.61 -0.26 0.00 -0.41 0.00 0.00 54.97 54.42 1iu4 s GLU 11 Cb -0.42 -3.90 -0.16 0.00 -1.78 0.00 0.00 34.13 27.86 1iu4 s GLU 11 CO 0.32 -0.73 0.39 -2.30 -0.49 0.00 0.00 175.26 172.45 1iu4 n PRO 12 N 5.54 0.00 0.25 0.39 -0.02 -1.26 -4.80 135.00 135.11 1iu4 n PRO 12 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1iu4 n PRO 12 Cb 0.48 -0.98 0.67 0.00 -0.02 0.00 0.00 33.50 33.65 1iu4 n PRO 12 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1iu4 h LEU 13 N 0.79 0.00 -1.49 2.45 7.12 -1.97 -1.75 115.31 120.46 1iu4 h LEU 13 Ca -0.30 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.71 1iu4 h LEU 13 Cb 1.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1iu4 h LEU 13 CO 0.53 0.15 0.00 -2.24 -0.13 0.00 0.00 178.44 176.75 1iu4 h ASP 14 N 0.00 0.00 -3.08 1.25 3.04 -2.01 -3.47 116.42 112.15 1iu4 h ASP 14 Ca -0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 1iu4 h ASP 14 Cb 0.41 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.66 1iu4 h ASP 14 CO 0.02 0.00 0.74 -0.60 -2.04 0.00 0.00 179.24 177.36 1iu4 s ARG 15 N -3.66 4.32 0.16 4.15 3.52 -0.66 -5.00 118.95 121.78 1iu4 s ARG 15 Ca 0.01 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.16 1iu4 s ARG 15 Cb 0.09 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1iu4 s ARG 15 CO 0.50 -0.52 0.32 -1.64 -0.81 0.00 0.00 175.30 173.15 1iu4 s MET 16 N 2.67 3.48 0.64 5.12 -1.94 -1.26 -4.78 119.30 123.23 1iu4 s MET 16 Ca 0.51 -0.46 -0.15 0.00 -1.71 0.00 0.00 55.69 53.89 1iu4 s MET 16 Cb -0.20 -2.92 -0.01 0.00 2.01 0.00 0.00 34.83 33.71 1iu4 s MET 16 CO 0.16 0.48 1.09 -2.14 -0.01 0.00 0.00 175.02 174.60 1iu4 s PRO 17 N -3.16 2.95 0.35 2.03 0.02 -1.26 -4.99 135.00 130.94 1iu4 s PRO 17 Ca 0.36 1.31 -0.28 0.00 0.02 0.00 0.00 61.00 62.41 1iu4 s PRO 17 Cb -0.11 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 1iu4 s PRO 17 CO 0.28 -1.12 1.41 -0.51 -0.33 0.00 0.00 177.00 176.73 1iu4 s ASP 18 N -2.71 6.54 0.15 2.53 -0.00 -1.26 -4.99 116.67 116.92 1iu4 s ASP 18 Ca 0.65 2.88 -0.33 0.00 -0.00 0.00 0.00 52.55 55.75 1iu4 s ASP 18 Cb -0.19 -2.66 -0.16 0.00 -0.00 0.00 0.00 42.92 39.91 1iu4 s ASP 18 CO 0.41 -0.72 1.08 -2.65 -0.00 0.00 0.00 175.17 173.29 1iu4 n PRO 19 N 0.69 0.86 -4.09 8.23 -0.02 -1.26 -4.85 135.00 134.56 1iu4 n PRO 19 Ca 0.01 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1iu4 n PRO 19 Cb 0.40 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 1iu4 n PRO 19 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1iu4 s TYR 20 N -0.24 0.71 -0.15 6.00 -0.85 0.15 -4.92 117.35 118.06 1iu4 s TYR 20 Ca 0.75 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1iu4 s TYR 20 Cb -0.93 -0.13 0.03 0.00 0.38 0.00 0.00 41.96 41.31 1iu4 s TYR 20 CO 0.53 -0.84 -0.11 -0.98 -1.52 0.00 0.00 175.55 172.62 1iu4 s ARG 21 N -4.07 2.00 0.33 -3.49 3.03 -1.26 -1.04 118.95 114.44 1iu4 s ARG 21 Ca 0.30 -0.51 -0.27 0.00 2.03 0.00 0.00 55.73 57.27 1iu4 s ARG 21 Cb 0.03 -2.00 -0.09 0.00 -1.03 0.00 0.00 34.95 31.85 1iu4 s ARG 21 CO 0.10 -0.28 1.08 -1.25 -1.13 0.00 0.00 175.30 173.82 1iu4 s PRO 22 N 1.55 4.44 -0.20 3.89 0.05 -1.25 -4.26 135.00 139.23 1iu4 s PRO 22 Ca 0.04 1.69 -0.16 0.00 0.05 0.00 0.00 61.00 62.62 1iu4 s PRO 22 Cb -0.13 -2.93 0.05 0.00 0.05 0.00 0.00 34.50 31.54 1iu4 s PRO 22 CO -0.10 0.06 0.52 -1.54 0.05 0.00 0.00 177.00 175.99 1iu4 s SER 23 N -1.15 -0.58 -1.37 6.66 1.04 0.15 -4.86 113.70 113.60 1iu4 s SER 23 Ca 0.50 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 57.98 1iu4 s SER 23 Cb -0.28 1.04 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1iu4 s SER 23 CO 0.36 -0.19 0.06 -1.22 0.98 0.00 0.00 173.24 173.23 1iu4 n TYR 24 N 3.23 -1.32 -0.34 5.02 4.01 -1.26 -2.51 117.16 123.99 1iu4 n TYR 24 Ca -0.16 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1iu4 n TYR 24 Cb 0.56 -3.32 0.00 0.00 -0.31 0.00 0.00 39.34 36.27 1iu4 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iu4 n GLY 25 N -0.95 1.15 3.42 2.72 0.00 -1.26 -5.01 105.19 105.27 1iu4 n GLY 25 Ca -0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1iu4 n GLY 25 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iu4 s ARG 26 N -0.98 0.49 0.05 1.61 3.52 -1.04 -1.91 118.95 120.69 1iu4 s ARG 26 Ca 0.00 1.06 0.07 0.00 -0.13 0.00 0.00 55.73 56.74 1iu4 s ARG 26 Cb 0.00 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1iu4 s ARG 26 CO 0.00 -0.18 -0.21 0.00 -0.81 0.00 0.00 175.30 174.10 1iu4 s ALA 27 N 1.98 1.77 -0.00 6.12 0.00 -0.71 0.31 121.76 131.23 1iu4 s ALA 27 Ca -0.07 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1iu4 s ALA 27 Cb -0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1iu4 s ALA 27 CO -0.16 0.39 -0.02 -2.00 0.00 0.00 0.00 175.76 173.98 1iu4 s GLU 28 N -1.27 0.14 0.09 0.00 -6.30 -1.26 -0.46 118.70 109.64 1iu4 s GLU 28 Ca 0.07 -0.08 -0.14 0.00 -2.50 0.00 0.00 54.97 52.33 1iu4 s GLU 28 Cb -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 34.13 33.94 1iu4 s GLU 28 CO 0.02 0.03 0.32 -0.08 0.02 0.00 0.00 175.26 175.57 1iu4 s THR 29 N -0.08 0.09 0.36 -1.70 -1.32 0.16 -4.82 115.64 108.33 1iu4 s THR 29 Ca 0.00 -0.76 -0.28 0.00 -1.21 0.00 0.00 61.69 59.44 1iu4 s THR 29 Cb -0.01 -1.15 -0.11 0.00 -1.51 0.00 0.00 72.50 69.72 1iu4 s THR 29 CO -0.00 -0.42 1.48 -0.69 -2.21 0.00 0.00 174.62 172.78 1iu4 s VAL 30 N -3.44 2.10 0.32 5.08 1.01 -1.26 0.32 120.40 124.54 1iu4 s VAL 30 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1iu4 s VAL 30 Cb 0.02 -3.06 0.38 0.00 0.00 0.00 0.00 36.38 33.71 1iu4 s VAL 30 CO -0.09 0.02 1.59 0.58 0.00 0.00 0.00 175.10 177.20 1iu4 h VAL 31 N 3.02 0.06 -0.16 2.92 2.07 -1.41 0.81 116.25 123.57 1iu4 h VAL 31 Ca -0.50 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1iu4 h VAL 31 Cb 1.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1iu4 h VAL 31 CO 0.66 0.01 0.10 0.78 0.02 0.00 0.00 177.57 179.14 1iu4 h ASN 32 N 0.04 0.19 0.21 0.57 2.35 -1.90 0.15 115.58 117.19 1iu4 h ASN 32 Ca 0.67 -0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 56.12 1iu4 h ASN 32 Cb 1.53 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 39.88 1iu4 h ASN 32 CO -0.83 0.14 -1.33 -1.13 -1.65 0.00 0.00 177.43 172.62 1iu4 h ASN 33 N 0.22 0.68 -0.24 5.81 -0.00 0.28 -3.30 115.58 119.03 1iu4 h ASN 33 Ca 0.06 -0.93 0.06 0.00 -0.00 0.00 0.00 56.30 55.49 1iu4 h ASN 33 Cb -0.02 -0.22 -0.07 0.00 -0.00 0.00 0.00 38.32 38.01 1iu4 h ASN 33 CO -0.01 1.63 -0.27 0.22 -0.00 0.00 0.00 177.43 179.00 1iu4 h TYR 34 N -0.04 -0.73 -0.78 0.67 3.20 -1.10 -0.70 116.97 117.49 1iu4 h TYR 34 Ca -0.24 0.04 0.20 0.00 3.14 0.00 0.00 58.73 61.87 1iu4 h TYR 34 Cb 1.99 0.36 -0.15 0.00 1.54 0.00 0.00 36.73 40.47 1iu4 h TYR 34 CO 0.14 -0.34 -0.03 -0.89 -1.64 0.00 0.00 178.16 175.40 1iu4 n ILE 35 N -5.39 -0.33 0.03 1.81 5.41 0.50 -0.36 119.36 121.04 1iu4 n ILE 35 Ca -0.01 1.73 -0.12 0.00 1.00 0.00 0.00 62.75 65.35 1iu4 n ILE 35 Cb 0.31 -2.50 -0.08 0.00 -0.71 0.00 0.00 39.64 36.66 1iu4 n ILE 35 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1iu4 h ARG 36 N 0.00 -0.00 -0.30 0.38 3.08 -1.26 -0.87 114.38 115.41 1iu4 h ARG 36 Ca 0.45 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.57 1iu4 h ARG 36 Cb 0.89 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 1iu4 h ARG 36 CO -0.75 0.10 -0.35 -0.22 -1.07 0.00 0.00 179.97 177.68 1iu4 h LYS 37 N -0.10 -0.32 -0.78 0.04 3.64 0.24 -2.59 116.57 116.70 1iu4 h LYS 37 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1iu4 h LYS 37 Cb 0.10 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1iu4 h LYS 37 CO 0.00 -0.21 0.47 2.35 -2.27 0.00 0.00 179.45 179.79 1iu4 h TRP 38 N -0.33 0.87 -0.71 1.91 7.01 -0.47 0.34 115.95 124.58 1iu4 h TRP 38 Ca 0.14 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1iu4 h TRP 38 Cb 0.56 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 1iu4 h TRP 38 CO -0.51 0.45 0.47 1.96 -2.79 0.00 0.00 178.44 178.01 1iu4 h GLN 39 N 0.87 0.77 0.00 2.65 4.20 -1.15 0.20 115.11 122.66 1iu4 h GLN 39 Ca 0.34 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1iu4 h GLN 39 Cb 0.15 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1iu4 h GLN 39 CO -0.17 0.51 -0.07 1.96 -0.67 0.00 0.00 178.83 180.40 1iu4 h GLN 40 N 0.80 0.00 0.00 1.46 1.08 -0.54 -3.39 115.11 114.51 1iu4 h GLN 40 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1iu4 h GLN 40 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1iu4 h GLN 40 CO -0.09 0.07 -0.54 1.33 -0.95 0.00 0.00 178.83 178.64 1iu4 n VAL 41 N -3.13 0.00 0.29 -0.54 0.24 -0.79 -4.86 118.33 109.53 1iu4 n VAL 41 Ca 0.03 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.36 1iu4 n VAL 41 Cb 0.48 -0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.37 1iu4 n VAL 41 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1iu4 n TYR 42 N -1.26 0.00 1.07 6.34 0.53 0.41 -4.65 117.16 119.60 1iu4 n TYR 42 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.02 1iu4 n TYR 42 Cb 0.24 -0.02 0.63 0.00 -1.03 0.00 0.00 39.34 39.16 1iu4 n TYR 42 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1iu4 n SER 43 N -1.23 0.00 -4.65 7.72 3.41 0.40 -2.83 113.62 116.43 1iu4 n SER 43 Ca 0.01 0.31 -0.47 0.00 -0.26 0.00 0.00 58.87 58.46 1iu4 n SER 43 Cb 0.12 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 1iu4 n SER 43 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1iu4 n HIS 44 N -1.44 2.12 -0.07 7.33 8.25 -1.26 -3.68 115.22 126.48 1iu4 n HIS 44 Ca 0.09 0.35 -0.13 0.00 -0.26 0.00 0.00 57.72 57.76 1iu4 n HIS 44 Cb 0.30 -2.50 -0.05 0.00 1.12 0.00 0.00 29.99 28.86 1iu4 n HIS 44 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1iu4 n ARG 45 N 3.17 0.28 -3.09 -0.41 1.74 -0.11 -1.47 116.66 116.76 1iu4 n ARG 45 Ca 0.17 0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 57.08 1iu4 n ARG 45 Cb 0.27 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 1iu4 n ARG 45 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1iu4 n ASP 46 N -3.51 4.58 0.00 0.55 8.00 -1.26 -4.22 116.55 120.69 1iu4 n ASP 46 Ca -0.25 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 51.65 1iu4 n ASP 46 Cb 0.69 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1iu4 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iu4 n GLY 47 N 0.22 0.06 3.50 0.44 0.00 -1.26 -5.00 105.19 103.15 1iu4 n GLY 47 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1iu4 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iu4 s ARG 48 N -1.08 3.00 0.55 1.61 3.52 -1.26 -5.02 118.95 120.28 1iu4 s ARG 48 Ca 0.00 -0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 54.80 1iu4 s ARG 48 Cb 0.00 -2.61 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 1iu4 s ARG 48 CO 0.00 0.48 0.85 1.63 -0.81 0.00 0.00 175.30 177.45 1iu4 n LYS 49 N 2.75 0.88 -4.42 5.12 5.02 -1.26 -0.94 118.16 125.32 1iu4 n LYS 49 Ca -0.18 0.33 -0.20 0.00 -2.02 0.00 0.00 58.31 56.25 1iu4 n LYS 49 Cb 0.53 -2.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1iu4 n LYS 49 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1iu4 s GLN 50 N -2.40 0.90 0.16 1.97 -1.52 -1.24 -4.79 119.66 112.74 1iu4 s GLN 50 Ca 0.71 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 53.26 1iu4 s GLN 50 Cb -0.46 -0.88 -0.07 0.00 -0.22 0.00 0.00 33.01 31.39 1iu4 s GLN 50 CO 0.51 0.23 1.04 -1.14 -0.25 0.00 0.00 175.29 175.68 1iu4 s GLN 51 N -0.68 4.65 0.13 2.91 0.74 -1.26 -4.64 119.66 121.52 1iu4 s GLN 51 Ca 0.03 1.61 -0.31 0.00 0.05 0.00 0.00 55.36 56.74 1iu4 s GLN 51 Cb -0.06 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 1iu4 s GLN 51 CO 0.00 0.15 1.69 1.41 -0.55 0.00 0.00 175.29 178.00 1iu4 s MET 52 N -0.29 4.17 0.80 1.67 -2.45 -1.26 -4.94 119.30 117.00 1iu4 s MET 52 Ca 0.48 2.46 -0.11 0.00 -1.25 0.00 0.00 55.69 57.27 1iu4 s MET 52 Cb -0.27 -3.39 0.07 0.00 1.25 0.00 0.00 34.83 32.49 1iu4 s MET 52 CO 0.33 -0.73 1.09 0.95 1.05 0.00 0.00 175.02 177.70 1iu4 s THR 53 N 2.01 3.21 0.14 10.11 -4.23 -1.26 -4.76 115.64 120.85 1iu4 s THR 53 Ca 0.75 0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 61.36 1iu4 s THR 53 Cb -0.44 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.32 1iu4 s THR 53 CO 0.33 -0.51 1.50 -0.08 -0.54 0.00 0.00 174.62 175.31 1iu4 h GLU 54 N -1.16 -0.13 -0.93 3.99 4.22 -1.98 0.13 114.58 118.72 1iu4 h GLU 54 Ca -0.46 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.13 1iu4 h GLU 54 Cb 1.25 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 1iu4 h GLU 54 CO 0.55 -0.09 0.54 1.49 -2.18 0.00 0.00 179.01 179.33 1iu4 h GLU 55 N -0.13 0.77 -0.20 1.92 4.81 -1.99 0.20 114.58 119.95 1iu4 h GLU 55 Ca 0.12 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1iu4 h GLU 55 Cb 0.44 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1iu4 h GLU 55 CO -0.74 0.51 -0.35 1.96 -0.73 0.00 0.00 179.01 179.66 1iu4 h GLN 56 N 0.79 0.43 -0.62 1.92 4.20 -1.53 0.14 115.11 120.45 1iu4 h GLN 56 Ca 0.49 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1iu4 h GLN 56 Cb 0.63 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1iu4 h GLN 56 CO -0.32 0.73 0.34 0.00 -0.67 0.00 0.00 178.83 178.91 1iu4 h ARG 57 N 0.37 0.85 0.67 1.46 3.08 0.19 -0.44 114.38 120.56 1iu4 h ARG 57 Ca 0.04 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1iu4 h ARG 57 Cb 0.79 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1iu4 h ARG 57 CO 0.06 0.62 -0.35 0.93 -1.07 0.00 0.00 179.97 180.16 1iu4 h GLU 58 N 0.86 -0.91 -0.51 0.04 4.39 -0.96 -1.34 114.58 116.14 1iu4 h GLU 58 Ca 0.22 0.06 0.10 0.00 0.34 0.00 0.00 59.36 60.08 1iu4 h GLU 58 Cb 0.02 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 1iu4 h GLU 58 CO -0.04 -0.61 -0.03 -1.49 -1.16 0.00 0.00 179.01 175.69 1iu4 h TRP 59 N -0.94 -0.09 -0.79 4.33 4.06 -0.85 -1.70 115.95 119.97 1iu4 h TRP 59 Ca -0.09 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.05 1iu4 h TRP 59 Cb 0.74 0.12 -0.10 0.00 -1.00 0.00 0.00 29.16 28.92 1iu4 h TRP 59 CO -0.05 -0.15 0.34 1.25 -3.56 0.00 0.00 178.44 176.27 1iu4 h LEU 60 N 0.08 0.35 0.00 -4.49 5.85 -0.98 -2.96 115.31 113.16 1iu4 h LEU 60 Ca 0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1iu4 h LEU 60 Cb 0.40 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1iu4 h LEU 60 CO -0.46 0.13 0.00 -1.54 -0.34 0.00 0.00 178.44 176.23 1iu4 n SER 61 N -4.97 0.00 -0.00 1.25 3.41 -0.51 -1.72 113.62 111.08 1iu4 n SER 61 Ca 0.15 0.16 0.14 0.00 -0.26 0.00 0.00 58.87 59.07 1iu4 n SER 61 Cb 0.43 -0.25 0.62 0.00 -0.26 0.00 0.00 64.21 64.76 1iu4 n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iu4 n TYR 62 N -1.25 0.00 0.00 7.33 4.01 -1.12 -1.28 117.16 124.85 1iu4 n TYR 62 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1iu4 n TYR 62 Cb 0.04 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1iu4 n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iu4 n GLY 63 N 1.46 0.80 0.32 2.72 0.00 -0.70 -3.74 105.19 106.05 1iu4 n GLY 63 Ca 0.08 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1iu4 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 h VAL 65 N -0.03 1.09 0.00 0.00 3.04 -1.81 -3.36 116.25 115.18 1iu4 h VAL 65 Ca 0.11 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 1iu4 h VAL 65 Cb 0.32 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1iu4 h VAL 65 CO -0.68 0.12 -0.08 1.23 -1.01 0.00 0.00 177.57 177.15 1iu4 h GLY 66 N 0.38 0.00 1.08 3.17 0.00 -1.57 0.70 103.07 106.83 1iu4 h GLY 66 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1iu4 h GLY 66 CO 0.01 0.00 -1.65 -0.24 0.00 0.00 0.00 176.54 174.67 1iu4 h VAL 67 N 0.00 0.98 -0.23 4.60 3.04 -1.75 -0.99 116.25 121.89 1iu4 h VAL 67 Ca -0.00 -2.72 -0.02 0.00 -1.01 0.00 0.00 66.70 62.95 1iu4 h VAL 67 Cb 0.37 2.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 1iu4 h VAL 67 CO 0.01 0.72 0.08 0.74 -1.01 0.00 0.00 177.57 178.11 1iu4 h THR 68 N 0.04 1.18 -0.40 3.17 2.02 -1.74 -0.30 112.91 116.88 1iu4 h THR 68 Ca -0.28 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.40 1iu4 h THR 68 Cb 2.00 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 1iu4 h THR 68 CO 0.11 0.19 0.01 -0.25 0.37 0.00 0.00 175.52 175.95 1iu4 h TRP 69 N 0.22 -0.00 0.19 3.16 7.01 -0.90 -1.32 115.95 124.29 1iu4 h TRP 69 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1iu4 h TRP 69 Cb 0.22 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1iu4 h TRP 69 CO -0.00 -0.07 -0.09 0.28 -2.79 0.00 0.00 178.44 175.77 1iu4 h VAL 70 N 0.12 0.90 0.00 2.65 2.07 -1.21 0.11 116.25 120.89 1iu4 h VAL 70 Ca 0.20 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1iu4 h VAL 70 Cb 0.28 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1iu4 h VAL 70 CO -0.32 0.11 -0.05 0.78 0.02 0.00 0.00 177.57 178.10 1iu4 h ASN 71 N -0.48 0.00 0.05 0.57 2.35 -1.05 -2.96 115.58 114.06 1iu4 h ASN 71 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1iu4 h ASN 71 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1iu4 h ASN 71 CO 0.04 0.05 -1.81 -1.54 -1.65 0.00 0.00 177.43 172.53 1iu4 n SER 72 N -3.54 0.18 0.00 5.81 3.41 -0.50 -4.82 113.62 114.16 1iu4 n SER 72 Ca -0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1iu4 n SER 72 Cb 0.17 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 1iu4 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iu4 n GLY 73 N 1.29 2.73 3.26 5.00 0.00 0.36 -4.97 105.19 112.86 1iu4 n GLY 73 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1iu4 n GLY 73 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iu4 s GLN 74 N -0.26 1.07 0.29 1.61 -2.07 -1.23 -5.02 119.66 114.04 1iu4 s GLN 74 Ca 0.00 -1.31 -0.29 0.00 -1.82 0.00 0.00 55.36 51.94 1iu4 s GLN 74 Cb 0.00 -0.90 -0.10 0.00 -1.09 0.00 0.00 33.01 30.92 1iu4 s GLN 74 CO 0.00 0.16 1.30 -0.47 -1.32 0.00 0.00 175.29 174.96 1iu4 s TYR 75 N -2.38 3.15 -0.36 9.60 6.14 -1.26 -4.40 117.35 127.84 1iu4 s TYR 75 Ca 0.11 1.37 -0.33 0.00 0.64 0.00 0.00 57.07 58.87 1iu4 s TYR 75 Cb -0.03 -3.63 -0.10 0.00 0.42 0.00 0.00 41.96 38.61 1iu4 s TYR 75 CO 0.03 -1.79 2.24 -2.30 0.64 0.00 0.00 175.55 174.37 1iu4 n PRO 76 N 1.34 1.20 0.23 4.97 -0.02 -1.26 -4.82 135.00 136.64 1iu4 n PRO 76 Ca 0.02 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1iu4 n PRO 76 Cb 0.42 -2.65 0.28 0.00 -0.02 0.00 0.00 33.50 31.53 1iu4 n PRO 76 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1iu4 h THR 77 N 7.20 0.05 -5.38 3.45 1.35 -2.01 -3.47 112.91 114.08 1iu4 h THR 77 Ca -0.29 -0.95 -0.23 0.00 -0.55 0.00 0.00 66.41 64.40 1iu4 h THR 77 Cb 1.30 1.91 -0.10 0.00 -1.73 0.00 0.00 68.15 69.53 1iu4 h THR 77 CO 1.03 0.03 -0.33 0.59 -0.25 0.00 0.00 175.52 176.59 1iu4 n ASN 78 N -3.11 -2.06 0.23 5.36 4.13 -1.26 -4.85 115.26 113.70 1iu4 n ASN 78 Ca 0.03 -0.07 0.12 0.00 1.68 0.00 0.00 54.58 56.35 1iu4 n ASN 78 Cb 0.49 -1.82 0.37 0.00 -1.54 0.00 0.00 39.78 37.28 1iu4 n ASN 78 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1iu4 h ARG 79 N -0.37 0.00 -4.51 3.52 2.43 -1.92 -3.37 114.38 110.17 1iu4 h ARG 79 Ca -0.24 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.24 1iu4 h ARG 79 Cb 1.16 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.36 1iu4 h ARG 79 CO 0.33 0.09 -0.57 -1.17 -1.51 0.00 0.00 179.97 177.14 1iu4 s LEU 80 N -6.32 5.18 0.10 3.80 2.96 -1.26 -4.80 118.68 118.34 1iu4 s LEU 80 Ca 0.04 -2.03 0.07 0.00 -0.22 0.00 0.00 54.13 51.98 1iu4 s LEU 80 Cb 0.07 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1iu4 s LEU 80 CO 0.63 -0.52 -0.18 0.00 -1.32 0.00 0.00 176.35 174.96 1iu4 s ALA 81 N 1.12 1.58 0.05 5.97 0.00 -1.26 -1.44 121.76 127.78 1iu4 s ALA 81 Ca 0.08 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.93 1iu4 s ALA 81 Cb -0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1iu4 s ALA 81 CO -0.05 0.26 -0.21 -0.06 0.00 0.00 0.00 175.76 175.71 1iu4 s PHE 82 N -1.37 1.83 0.18 0.00 0.40 0.20 -1.20 117.98 118.03 1iu4 s PHE 82 Ca 0.05 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1iu4 s PHE 82 Cb -0.09 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 1iu4 s PHE 82 CO 0.04 0.11 0.10 0.00 0.70 0.00 0.00 175.22 176.17 1iu4 s ALA 83 N -0.86 1.13 -0.14 5.36 0.00 -0.73 -0.40 121.76 126.11 1iu4 s ALA 83 Ca 0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.38 1iu4 s ALA 83 Cb -0.09 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 24.17 1iu4 s ALA 83 CO 0.02 -0.54 -0.08 -1.54 0.00 0.00 0.00 175.76 173.62 1iu4 s SER 84 N -3.14 4.42 -0.13 0.00 1.04 -1.26 -4.72 113.70 109.91 1iu4 s SER 84 Ca 0.34 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1iu4 s SER 84 Cb 0.07 -1.67 0.02 0.00 0.10 0.00 0.00 66.02 64.54 1iu4 s SER 84 CO 0.09 0.18 -0.16 0.12 0.98 0.00 0.00 173.24 174.45 1iu4 s PHE 85 N 0.30 2.17 -0.46 5.02 2.19 -1.26 -1.33 117.98 124.61 1iu4 s PHE 85 Ca -0.07 -1.15 -0.27 0.00 0.33 0.00 0.00 56.93 55.77 1iu4 s PHE 85 Cb -0.15 -1.57 -0.02 0.00 -1.31 0.00 0.00 43.02 39.97 1iu4 s PHE 85 CO 0.04 -0.60 1.87 0.34 1.83 0.00 0.00 175.22 178.70 1iu4 s ASP 86 N 1.24 5.52 0.20 6.13 -1.08 -0.09 -4.83 116.67 123.76 1iu4 s ASP 86 Ca -0.00 0.88 0.23 0.00 -0.52 0.00 0.00 52.55 53.14 1iu4 s ASP 86 Cb -0.14 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.71 1iu4 s ASP 86 CO -0.07 -2.08 1.71 1.21 0.52 0.00 0.00 175.17 176.46 1iu4 n GLU 87 N 8.79 0.17 -0.12 4.34 2.13 -1.26 -1.61 120.64 133.07 1iu4 n GLU 87 Ca 0.23 0.32 -0.18 0.00 0.66 0.00 0.00 57.16 58.19 1iu4 n GLU 87 Cb 0.50 -1.78 -0.12 0.00 0.27 0.00 0.00 31.44 30.30 1iu4 n GLU 87 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1iu4 n ASP 88 N -2.10 1.99 -0.08 4.31 2.03 -1.26 -2.93 116.55 118.52 1iu4 n ASP 88 Ca 0.03 -0.11 -0.08 0.00 0.52 0.00 0.00 54.79 55.15 1iu4 n ASP 88 Cb 0.28 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1iu4 n ASP 88 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iu4 h ARG 89 N -0.01 -0.25 -0.45 -0.67 2.43 -1.97 -1.59 114.38 111.87 1iu4 h ARG 89 Ca -0.57 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 58.70 1iu4 h ARG 89 Cb 1.90 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 31.44 1iu4 h ARG 89 CO -0.08 -0.17 0.01 0.35 -1.51 0.00 0.00 179.97 178.57 1iu4 h PHE 90 N -0.26 -0.02 -0.71 2.20 3.04 -1.45 -1.36 116.94 118.38 1iu4 h PHE 90 Ca 0.15 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 1iu4 h PHE 90 Cb 0.50 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 1iu4 h PHE 90 CO -0.46 -0.09 0.35 -0.22 -2.02 0.00 0.00 178.31 175.87 1iu4 h LYS 91 N 0.12 1.02 0.00 1.11 3.64 -1.46 -1.26 116.57 119.73 1iu4 h LYS 91 Ca 0.23 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1iu4 h LYS 91 Cb 0.33 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1iu4 h LYS 91 CO -0.37 0.80 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.40 1iu4 h ASN 92 N 0.99 0.00 -0.13 4.20 2.35 -0.97 -2.02 115.58 120.01 1iu4 h ASN 92 Ca 0.25 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1iu4 h ASN 92 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1iu4 h ASN 92 CO -0.03 0.30 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.58 1iu4 h GLU 93 N 0.00 0.32 -0.51 0.81 4.39 -1.25 0.94 114.58 119.28 1iu4 h GLU 93 Ca -0.00 -0.17 0.10 0.00 0.34 0.00 0.00 59.36 59.63 1iu4 h GLU 93 Cb 0.95 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.50 1iu4 h GLU 93 CO 0.04 0.71 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.22 1iu4 h LEU 94 N -0.07 -1.05 -0.08 1.33 4.07 -1.20 0.13 115.31 118.44 1iu4 h LEU 94 Ca 0.02 0.21 -0.22 0.00 0.08 0.00 0.00 57.88 57.97 1iu4 h LEU 94 Cb 0.65 0.52 0.01 0.00 1.08 0.00 0.00 40.66 42.93 1iu4 h LEU 94 CO 0.03 -0.30 -0.79 0.50 -1.08 0.00 0.00 178.44 176.80 1iu4 h LYS 95 N -0.18 0.68 0.00 1.13 3.64 -1.42 -3.40 116.57 117.01 1iu4 h LYS 95 Ca 0.21 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1iu4 h LYS 95 Cb 0.53 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1iu4 h LYS 95 CO -0.61 1.23 0.00 0.09 -2.27 0.00 0.00 179.45 177.89 1iu4 n ASN 96 N -4.00 0.20 -4.80 4.20 3.02 0.27 -5.03 115.26 109.12 1iu4 n ASN 96 Ca -0.09 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.59 1iu4 n ASN 96 Cb 0.76 0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 40.40 1iu4 n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1iu4 s GLY 97 N -0.48 2.26 -0.20 7.41 0.00 0.45 -4.92 107.32 111.83 1iu4 s GLY 97 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.19 1iu4 s GLY 97 CO 0.00 0.78 -0.15 1.09 0.00 0.00 0.00 173.10 174.82 1iu4 s ARG 98 N -3.79 2.51 0.58 2.90 1.70 -1.26 -4.89 118.95 116.69 1iu4 s ARG 98 Ca 0.65 -0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 54.77 1iu4 s ARG 98 Cb -0.16 -2.58 -0.07 0.00 -0.57 0.00 0.00 34.95 31.56 1iu4 s ARG 98 CO 0.31 -0.36 0.67 -2.30 -1.08 0.00 0.00 175.30 172.54 1iu4 n PRO 99 N 4.60 0.64 -1.03 3.89 -0.01 -1.26 -4.95 135.00 136.87 1iu4 n PRO 99 Ca -0.17 0.25 -0.31 0.00 -0.01 0.00 0.00 63.50 63.26 1iu4 n PRO 99 Cb 0.47 -1.85 0.12 0.00 -0.01 0.00 0.00 33.50 32.23 1iu4 n PRO 99 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 1iu4 s ARG 100 N -2.29 1.68 6.91 -0.52 0.52 -1.26 -4.91 118.95 119.07 1iu4 s ARG 100 Ca 0.71 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1iu4 s ARG 100 Cb -0.44 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1iu4 s ARG 100 CO 0.52 -2.08 0.00 0.43 0.02 0.00 0.00 175.30 174.19 1iu4 n SER 101 N -3.83 0.00 -1.98 0.23 7.64 -1.26 -1.04 113.62 113.37 1iu4 n SER 101 Ca 0.10 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.74 1iu4 n SER 101 Cb 0.53 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.84 1iu4 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iu4 n GLY 102 N 0.00 5.51 3.70 0.23 0.00 -1.26 -5.05 105.19 108.32 1iu4 n GLY 102 Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1iu4 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iu4 s GLU 103 N -3.55 4.16 0.83 1.61 2.02 -0.21 -5.03 118.70 118.52 1iu4 s GLU 103 Ca 0.56 2.52 -0.11 0.00 0.02 0.00 0.00 54.97 57.95 1iu4 s GLU 103 Cb 0.46 -3.44 0.09 0.00 0.10 0.00 0.00 34.13 31.34 1iu4 s GLU 103 CO 0.02 -0.77 1.09 0.95 0.02 0.00 0.00 175.26 176.57 1iu4 s THR 104 N 2.22 2.97 0.25 3.63 -4.23 -1.26 -4.78 115.64 114.44 1iu4 s THR 104 Ca 0.77 0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 61.53 1iu4 s THR 104 Cb -0.45 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 70.72 1iu4 s THR 104 CO 0.34 -0.41 1.63 0.03 -0.54 0.00 0.00 174.62 175.67 1iu4 h ARG 105 N -1.23 0.09 0.00 3.99 2.47 -1.99 0.86 114.38 118.57 1iu4 h ARG 105 Ca -0.48 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1iu4 h ARG 105 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1iu4 h ARG 105 CO 0.57 0.06 0.00 0.00 0.56 0.00 0.00 179.97 181.16 1iu4 n ALA 106 N -2.98 1.63 -0.05 0.04 0.00 -1.26 -0.90 120.51 116.99 1iu4 n ALA 106 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1iu4 n ALA 106 Cb 0.50 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 1iu4 n ALA 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iu4 n GLU 107 N -1.66 0.66 0.11 0.00 1.02 0.08 -2.44 120.64 118.41 1iu4 n GLU 107 Ca 0.03 0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 1iu4 n GLU 107 Cb 0.17 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 1iu4 n GLU 107 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1iu4 h PHE 108 N 0.00 -1.31 -0.31 -0.32 3.04 -0.52 -2.59 116.94 114.93 1iu4 h PHE 108 Ca -0.35 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.53 1iu4 h PHE 108 Cb 1.90 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 40.95 1iu4 h PHE 108 CO 0.00 -0.52 -0.22 0.93 -2.02 0.00 0.00 178.31 176.48 1iu4 h GLU 109 N -0.66 0.59 0.00 1.11 5.08 -1.14 0.32 114.58 119.88 1iu4 h GLU 109 Ca -0.01 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1iu4 h GLU 109 Cb 0.66 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1iu4 h GLU 109 CO -0.23 0.77 -0.21 0.78 -1.00 0.00 0.00 179.01 179.12 1iu4 h GLY 110 N 1.00 0.00 0.55 -3.84 0.00 -1.58 -2.50 103.07 96.69 1iu4 h GLY 110 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 1iu4 h GLY 110 CO 0.05 0.00 -1.27 -0.09 0.00 0.00 0.00 176.54 175.23 1iu4 h ARG 111 N 0.00 0.24 -0.91 4.80 2.43 -0.70 -3.15 114.38 117.08 1iu4 h ARG 111 Ca -0.00 -0.41 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1iu4 h ARG 111 Cb 0.40 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 1iu4 h ARG 111 CO 0.03 1.19 0.57 -0.39 -1.51 0.00 0.00 179.97 179.86 1iu4 h VAL 112 N -0.36 1.04 -0.40 0.20 -1.51 -0.49 0.38 116.25 115.12 1iu4 h VAL 112 Ca -0.27 -0.35 0.04 0.00 -1.23 0.00 0.00 66.70 64.89 1iu4 h VAL 112 Cb 1.70 -0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 30.72 1iu4 h VAL 112 CO 0.06 0.19 -0.39 0.00 -1.23 0.00 0.00 177.57 176.20 1iu4 h ALA 113 N 1.43 -0.56 0.00 5.19 0.00 -1.59 0.13 119.26 123.87 1iu4 h ALA 113 Ca 0.40 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1iu4 h ALA 113 Cb 0.20 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iu4 h ALA 113 CO -0.18 -0.77 -0.26 1.57 0.00 0.00 0.00 179.25 179.60 1iu4 h LYS 114 N -0.20 0.00 0.00 0.00 5.09 -1.35 -0.56 116.57 119.55 1iu4 h LYS 114 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1iu4 h LYS 114 Cb 0.37 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.70 1iu4 h LYS 114 CO -0.48 0.26 0.00 0.39 -2.09 0.00 0.00 179.45 177.53 1iu4 n GLU 115 N -3.57 0.15 0.16 0.07 1.02 0.06 -3.50 120.64 115.04 1iu4 n GLU 115 Ca -0.01 0.21 0.06 0.00 -0.02 0.00 0.00 57.16 57.40 1iu4 n GLU 115 Cb 0.40 -1.71 0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1iu4 n GLU 115 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1iu4 h SER 116 N 0.00 0.00 -3.70 1.62 0.02 0.93 -3.46 113.55 108.96 1iu4 h SER 116 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1iu4 h SER 116 Cb 0.55 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.16 1iu4 h SER 116 CO 0.00 0.32 0.74 -0.36 -1.14 0.00 0.00 176.83 176.39 1iu4 s PHE 117 N -3.06 2.88 -0.26 3.45 0.40 -1.20 -0.91 117.98 119.29 1iu4 s PHE 117 Ca 0.04 1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 57.51 1iu4 s PHE 117 Cb 0.07 -3.86 0.02 0.00 0.51 0.00 0.00 43.02 39.76 1iu4 s PHE 117 CO 0.73 -2.58 -0.01 0.34 0.70 0.00 0.00 175.22 174.39 1iu4 s ASP 118 N -0.05 4.59 0.15 1.36 -1.08 -0.44 -4.97 116.67 116.23 1iu4 s ASP 118 Ca 0.54 -0.78 -0.09 0.00 -0.52 0.00 0.00 52.55 51.71 1iu4 s ASP 118 Cb -0.43 -1.74 -0.02 0.00 -1.46 0.00 0.00 42.92 39.27 1iu4 s ASP 118 CO 0.52 -0.14 1.45 -0.33 0.52 0.00 0.00 175.17 177.19 1iu4 h GLU 119 N 8.09 0.78 0.29 4.34 4.39 -1.96 -2.07 114.58 128.44 1iu4 h GLU 119 Ca -0.33 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 58.87 1iu4 h GLU 119 Cb 1.12 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1iu4 h GLU 119 CO 0.59 1.11 -0.14 0.93 -1.16 0.00 0.00 179.01 180.34 1iu4 h GLU 120 N 0.60 -0.37 -0.06 2.33 5.08 -1.98 -0.77 114.58 119.41 1iu4 h GLU 120 Ca 0.02 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1iu4 h GLU 120 Cb 1.12 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1iu4 h GLU 120 CO 0.11 -0.19 0.04 0.87 -1.00 0.00 0.00 179.01 178.85 1iu4 h LYS 121 N -0.48 0.01 0.00 2.33 1.57 -1.96 -1.67 116.57 116.37 1iu4 h LYS 121 Ca -0.04 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1iu4 h LYS 121 Cb 0.36 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1iu4 h LYS 121 CO 0.06 0.01 -0.59 0.78 -0.57 0.00 0.00 179.45 179.15 1iu4 h GLY 122 N 0.01 0.00 0.70 3.86 0.00 -0.93 -1.66 103.07 105.05 1iu4 h GLY 122 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1iu4 h GLY 122 CO -0.00 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1iu4 h PHE 123 N 0.00 0.10 -0.47 5.60 3.57 -0.85 -2.05 116.94 122.85 1iu4 h PHE 123 Ca -0.01 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1iu4 h PHE 123 Cb 1.21 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 1iu4 h PHE 123 CO 0.00 0.41 -0.51 0.37 -2.23 0.00 0.00 178.31 176.35 1iu4 h GLN 124 N -0.23 -0.32 -0.62 1.11 4.15 -1.33 0.11 115.11 117.98 1iu4 h GLN 124 Ca 0.01 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1iu4 h GLN 124 Cb 0.37 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 1iu4 h GLN 124 CO 0.00 -0.21 0.41 -0.09 -1.93 0.00 0.00 178.83 177.01 1iu4 h ARG 125 N -0.33 0.66 -0.54 1.69 9.65 -1.35 -0.48 114.38 123.67 1iu4 h ARG 125 Ca 0.11 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.83 1iu4 h ARG 125 Cb 0.58 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1iu4 h ARG 125 CO -0.63 0.43 -0.13 0.00 2.80 0.00 0.00 179.97 182.45 1iu4 h ALA 126 N 1.65 0.74 -0.64 2.80 0.00 -0.30 -2.45 119.26 121.06 1iu4 h ALA 126 Ca 0.26 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1iu4 h ALA 126 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1iu4 h ALA 126 CO -0.07 0.68 0.29 0.00 0.00 0.00 0.00 179.25 180.14 1iu4 h ARG 127 N 0.92 0.93 -0.07 0.00 3.08 0.46 -0.16 114.38 119.54 1iu4 h ARG 127 Ca 0.14 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1iu4 h ARG 127 Cb 0.71 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 1iu4 h ARG 127 CO 0.05 0.76 -0.49 0.93 -1.07 0.00 0.00 179.97 180.15 1iu4 h GLU 128 N 0.88 -0.57 0.30 0.04 5.08 -1.17 0.09 114.58 119.24 1iu4 h GLU 128 Ca 0.22 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1iu4 h GLU 128 Cb 0.15 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1iu4 h GLU 128 CO -0.02 -0.38 -0.31 0.28 -1.00 0.00 0.00 179.01 177.58 1iu4 h VAL 129 N -0.59 0.36 -1.12 3.13 2.07 -1.41 -0.68 116.25 118.00 1iu4 h VAL 129 Ca 0.04 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.87 1iu4 h VAL 129 Cb 0.68 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1iu4 h VAL 129 CO -0.38 0.00 0.75 0.00 0.02 0.00 0.00 177.57 177.95 1iu4 h ALA 130 N -0.08 2.55 -0.01 1.67 0.00 -1.01 -0.21 119.26 122.17 1iu4 h ALA 130 Ca -0.01 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1iu4 h ALA 130 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iu4 h ALA 130 CO -0.06 -0.97 -0.83 0.66 0.00 0.00 0.00 179.25 178.05 1iu4 h SER 131 N 0.24 0.32 -0.31 0.00 4.64 -0.11 0.82 113.55 119.15 1iu4 h SER 131 Ca 0.61 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.75 1iu4 h SER 131 Cb 1.86 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.81 1iu4 h SER 131 CO -0.23 1.01 0.01 0.58 -0.87 0.00 0.00 176.83 177.34 1iu4 h VAL 132 N 0.15 0.79 -0.35 0.95 2.07 -0.52 0.12 116.25 119.46 1iu4 h VAL 132 Ca -0.04 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1iu4 h VAL 132 Cb 1.44 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1iu4 h VAL 132 CO 0.13 0.02 -0.25 0.24 0.02 0.00 0.00 177.57 177.73 1iu4 h MET 133 N 0.10 0.70 0.57 1.57 2.86 -0.99 -1.41 114.93 118.33 1iu4 h MET 133 Ca 0.15 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1iu4 h MET 133 Cb 0.19 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1iu4 h MET 133 CO -0.24 0.88 -0.45 -0.91 1.06 0.00 0.00 176.91 177.25 1iu4 h ASN 134 N 0.61 -1.20 -0.85 1.22 2.35 -0.79 0.61 115.58 117.53 1iu4 h ASN 134 Ca 0.08 0.09 0.19 0.00 -0.55 0.00 0.00 56.30 56.11 1iu4 h ASN 134 Cb 0.74 0.38 -0.16 0.00 0.05 0.00 0.00 38.32 39.33 1iu4 h ASN 134 CO 0.06 -0.65 -0.09 0.03 -1.65 0.00 0.00 177.43 175.13 1iu4 h ARG 135 N -1.00 0.04 0.00 0.81 3.08 -0.88 0.35 114.38 116.78 1iu4 h ARG 135 Ca -0.07 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1iu4 h ARG 135 Cb 0.84 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1iu4 h ARG 135 CO 0.00 0.02 -0.14 0.00 -1.07 0.00 0.00 179.97 178.79 1iu4 h ALA 136 N 1.83 1.34 0.00 0.04 0.00 -1.05 -3.01 119.26 118.42 1iu4 h ALA 136 Ca 0.45 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 55.02 1iu4 h ALA 136 Cb 0.79 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1iu4 h ALA 136 CO -0.82 0.17 -1.31 1.37 0.00 0.00 0.00 179.25 178.67 1iu4 h LEU 137 N 0.00 0.00 -9.27 0.00 8.10 0.20 -3.38 115.31 110.97 1iu4 h LEU 137 Ca -0.00 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.34 1iu4 h LEU 137 Cb 0.35 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.59 1iu4 h LEU 137 CO 0.02 0.83 0.97 -0.62 -4.11 0.00 0.00 178.44 175.53 1iu4 n GLU 138 N -3.10 1.85 -3.75 0.17 1.02 -0.50 -1.81 120.64 114.52 1iu4 n GLU 138 Ca -0.09 0.67 -0.33 0.00 -0.02 0.00 0.00 57.16 57.40 1iu4 n GLU 138 Cb 0.93 -2.46 0.04 0.00 -0.02 0.00 0.00 31.44 29.93 1iu4 n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1iu4 n ASN 139 N 5.66 -5.17 -3.67 1.62 3.02 -1.26 -5.00 115.26 110.46 1iu4 n ASN 139 Ca 0.23 -1.04 -0.15 0.00 -0.03 0.00 0.00 54.58 53.59 1iu4 n ASN 139 Cb 0.24 -3.00 -0.14 0.00 -0.61 0.00 0.00 39.78 36.27 1iu4 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iu4 s ALA 140 N -3.43 -0.35 -1.18 5.41 0.00 -0.75 -4.90 121.76 116.56 1iu4 s ALA 140 Ca 0.44 0.74 0.12 0.00 0.00 0.00 0.00 51.96 53.25 1iu4 s ALA 140 Cb -0.18 -0.90 0.25 0.00 0.00 0.00 0.00 23.12 22.29 1iu4 s ALA 140 CO 0.88 -0.59 1.14 0.72 0.00 0.00 0.00 175.76 177.91 1iu4 n HIS 141 N 5.30 0.33 -3.62 0.00 8.25 -1.26 -0.68 115.22 123.54 1iu4 n HIS 141 Ca -0.06 -0.33 -0.11 0.00 -0.26 0.00 0.00 57.72 56.97 1iu4 n HIS 141 Cb 0.50 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 1iu4 n HIS 141 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1iu4 s ASP 142 N -1.00 -0.31 0.26 0.41 1.47 -1.26 -4.25 116.67 111.99 1iu4 s ASP 142 Ca 0.21 -0.29 -0.02 0.00 1.18 0.00 0.00 52.55 53.63 1iu4 s ASP 142 Cb 0.12 0.52 0.49 0.00 -0.34 0.00 0.00 42.92 43.71 1iu4 s ASP 142 CO 0.16 -0.92 1.80 -0.08 0.68 0.00 0.00 175.17 176.80 1iu4 h GLU 143 N 2.25 0.75 -0.55 2.11 4.81 -1.92 -1.93 114.58 120.09 1iu4 h GLU 143 Ca -0.33 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1iu4 h GLU 143 Cb 1.27 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 1iu4 h GLU 143 CO 0.43 0.49 -0.30 0.77 -0.73 0.00 0.00 179.01 179.67 1iu4 h SER 144 N 0.77 -1.05 0.27 1.04 0.02 -1.97 0.13 113.55 112.76 1iu4 h SER 144 Ca 0.45 0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.61 1iu4 h SER 144 Cb 0.51 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1iu4 h SER 144 CO -0.30 -0.29 -0.36 0.00 -1.14 0.00 0.00 176.83 174.74 1iu4 h ALA 145 N 1.05 -0.72 -1.00 3.77 0.00 -1.77 -0.25 119.26 120.34 1iu4 h ALA 145 Ca 0.23 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1iu4 h ALA 145 Cb 0.53 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1iu4 h ALA 145 CO -0.64 -0.95 -0.48 -0.92 0.00 0.00 0.00 179.25 176.25 1iu4 h TYR 146 N -0.69 -1.48 0.00 0.00 3.20 -1.09 -0.54 116.97 116.37 1iu4 h TYR 146 Ca -0.01 0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1iu4 h TYR 146 Cb 0.65 0.78 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 1iu4 h TYR 146 CO -0.25 -0.39 -0.00 -0.07 -1.64 0.00 0.00 178.16 175.81 1iu4 h LEU 147 N -0.00 0.00 -0.02 2.82 3.38 -0.50 -0.15 115.31 120.85 1iu4 h LEU 147 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1iu4 h LEU 147 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1iu4 h LEU 147 CO -0.97 0.00 -0.45 0.44 0.09 0.00 0.00 178.44 177.56 1iu4 h ASP 148 N 0.00 0.42 -0.78 -0.43 3.32 0.45 -2.47 116.42 116.93 1iu4 h ASP 148 Ca -0.00 -0.74 0.11 0.00 0.02 0.00 0.00 57.03 56.42 1iu4 h ASP 148 Cb 0.01 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.35 1iu4 h ASP 148 CO 0.00 1.11 0.40 0.78 -1.72 0.00 0.00 179.24 179.81 1iu4 h ASN 149 N -0.22 0.51 0.46 6.45 2.35 -1.11 0.15 115.58 124.17 1iu4 h ASN 149 Ca -0.05 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1iu4 h ASN 149 Cb 1.16 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1iu4 h ASN 149 CO 0.09 0.27 -0.22 0.25 -1.65 0.00 0.00 177.43 176.16 1iu4 h LEU 150 N 0.64 -0.53 -1.51 1.61 5.85 -1.07 -1.08 115.31 119.22 1iu4 h LEU 150 Ca 0.40 -0.08 0.29 0.00 0.84 0.00 0.00 57.88 59.32 1iu4 h LEU 150 Cb 0.47 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1iu4 h LEU 150 CO -0.30 -0.13 0.71 0.11 -0.34 0.00 0.00 178.44 178.48 1iu4 h LYS 151 N -1.02 0.28 0.07 1.25 1.57 -1.40 -0.74 116.57 116.59 1iu4 h LYS 151 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1iu4 h LYS 151 Cb 0.58 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1iu4 h LYS 151 CO 0.10 0.19 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.92 1iu4 h LYS 152 N 0.29 -0.09 -0.47 3.15 3.64 -0.68 -1.85 116.57 120.57 1iu4 h LYS 152 Ca 0.59 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 60.07 1iu4 h LYS 152 Cb 1.70 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.44 1iu4 h LYS 152 CO -0.24 0.25 -0.13 1.49 -2.27 0.00 0.00 179.45 178.55 1iu4 h GLU 153 N -0.43 -0.02 -0.02 1.90 4.81 -0.24 -0.87 114.58 119.71 1iu4 h GLU 153 Ca -0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1iu4 h GLU 153 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1iu4 h GLU 153 CO 0.02 -0.01 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.13 1iu4 h LEU 154 N -0.02 -0.25 -1.04 1.64 4.07 -1.17 0.19 115.31 118.73 1iu4 h LEU 154 Ca 0.23 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.24 1iu4 h LEU 154 Cb 0.37 0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 1iu4 h LEU 154 CO -0.50 -0.12 0.65 0.00 -1.08 0.00 0.00 178.44 177.39 1iu4 h ALA 155 N 0.86 1.31 0.00 1.53 0.00 -1.17 0.58 119.26 122.36 1iu4 h ALA 155 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1iu4 h ALA 155 Cb 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1iu4 h ALA 155 CO -0.10 0.64 -0.23 -0.97 0.00 0.00 0.00 179.25 178.59 1iu4 h ASN 156 N 1.32 0.00 0.06 0.00 -1.24 -0.74 -2.61 115.58 112.36 1iu4 h ASN 156 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1iu4 h ASN 156 Cb -0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.91 1iu4 h ASN 156 CO -0.08 0.23 -0.11 0.61 -1.29 0.00 0.00 177.43 176.79 1iu4 n GLY 157 N -0.82 -0.05 3.65 1.57 0.00 0.02 -4.96 105.19 104.59 1iu4 n GLY 157 Ca -0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1iu4 n GLY 157 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iu4 n ASN 158 N 0.07 -2.64 -4.82 1.61 3.02 0.18 -4.94 115.26 107.74 1iu4 n ASN 158 Ca 0.16 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.61 1iu4 n ASN 158 Cb 0.39 -4.44 -0.06 0.00 -0.61 0.00 0.00 39.78 35.07 1iu4 n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1iu4 s ASP 159 N -4.06 7.01 0.46 6.41 -1.08 -0.17 -4.98 116.67 120.26 1iu4 s ASP 159 Ca 0.18 1.28 0.13 0.00 -0.52 0.00 0.00 52.55 53.62 1iu4 s ASP 159 Cb -0.09 -2.36 1.07 0.00 -1.46 0.00 0.00 42.92 40.07 1iu4 s ASP 159 CO 0.78 0.14 2.06 0.00 0.52 0.00 0.00 175.17 178.67 1iu4 h ALA 160 N 3.86 1.93 -1.00 3.66 0.00 -1.91 -2.02 119.26 123.79 1iu4 h ALA 160 Ca -0.49 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.66 1iu4 h ALA 160 Cb 1.20 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1iu4 h ALA 160 CO 0.65 0.01 0.66 -0.07 0.00 0.00 0.00 179.25 180.50 1iu4 h LEU 161 N 0.31 0.39 -1.09 0.00 4.07 -1.88 -1.14 115.31 115.97 1iu4 h LEU 161 Ca 0.15 0.06 0.31 0.00 0.08 0.00 0.00 57.88 58.48 1iu4 h LEU 161 Cb 0.19 -0.01 -0.13 0.00 1.08 0.00 0.00 40.66 41.79 1iu4 h LEU 161 CO -0.03 0.11 0.62 -0.09 -1.08 0.00 0.00 178.44 177.97 1iu4 h ARG 162 N 0.36 0.35 -0.27 1.13 9.65 -1.67 -1.78 114.38 122.15 1iu4 h ARG 162 Ca 0.54 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.40 1iu4 h ARG 162 Cb 1.44 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 1iu4 h ARG 162 CO -0.22 0.23 0.00 0.09 2.80 0.00 0.00 179.97 182.87 1iu4 n ASN 163 N -4.92 1.49 -4.76 -3.80 3.02 -0.43 -4.91 115.26 100.95 1iu4 n ASN 163 Ca 0.31 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.46 1iu4 n ASN 163 Cb 0.97 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.94 1iu4 n ASN 163 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1iu4 s GLU 164 N -1.64 4.22 0.48 3.52 0.41 -0.67 -5.01 118.70 120.01 1iu4 s GLU 164 Ca 0.19 2.41 -0.22 0.00 -0.41 0.00 0.00 54.97 56.94 1iu4 s GLU 164 Cb 0.10 -3.05 -0.10 0.00 -1.78 0.00 0.00 34.13 29.30 1iu4 s GLU 164 CO 0.13 -0.44 0.75 -3.47 -0.49 0.00 0.00 175.26 171.74 1iu4 n ASP 165 N 1.55 0.02 0.01 -0.19 4.64 -1.26 -4.93 116.55 116.38 1iu4 n ASP 165 Ca 0.04 0.90 0.16 0.00 -1.38 0.00 0.00 54.79 54.52 1iu4 n ASP 165 Cb 0.40 -1.24 0.63 0.00 -1.04 0.00 0.00 41.12 39.87 1iu4 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1iu4 h ALA 166 N 0.88 2.31 0.00 -1.67 0.00 -1.99 -2.03 119.26 116.77 1iu4 h ALA 166 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1iu4 h ALA 166 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1iu4 h ALA 166 CO 0.52 -0.44 -0.90 0.54 0.00 0.00 0.00 179.25 178.97 1iu4 n ARG 167 N -4.43 0.08 -1.27 0.00 5.12 -1.26 -3.97 116.66 110.93 1iu4 n ARG 167 Ca 0.08 -0.01 -0.37 0.00 -1.93 0.00 0.00 57.85 55.62 1iu4 n ARG 167 Cb 0.48 -1.52 0.04 0.00 -1.16 0.00 0.00 32.46 30.30 1iu4 n ARG 167 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1iu4 n SER 168 N -1.62 -2.46 -0.33 0.55 3.41 -0.76 -4.67 113.62 107.74 1iu4 n SER 168 Ca 0.04 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 1iu4 n SER 168 Cb 0.36 -1.05 0.27 0.00 -0.26 0.00 0.00 64.21 63.54 1iu4 n SER 168 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1iu4 h PRO 169 N -0.22 0.69 0.33 4.33 0.11 -1.89 -1.55 132.00 133.80 1iu4 h PRO 169 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1iu4 h PRO 169 Cb 1.38 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1iu4 h PRO 169 CO 0.41 0.46 -0.23 0.35 -0.21 0.00 0.00 178.00 178.77 1iu4 h PHE 170 N 0.71 -0.62 -0.04 0.65 3.04 -1.90 -2.32 116.94 116.47 1iu4 h PHE 170 Ca 0.52 -0.00 -0.25 0.00 3.98 0.00 0.00 57.97 62.22 1iu4 h PHE 170 Cb 0.76 0.23 0.01 0.00 2.56 0.00 0.00 35.95 39.52 1iu4 h PHE 170 CO -0.05 -0.36 -0.96 1.88 -2.02 0.00 0.00 178.31 176.81 1iu4 h TYR 171 N -0.56 0.96 0.00 0.41 0.99 -1.76 -3.18 116.97 113.84 1iu4 h TYR 171 Ca -0.03 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.20 1iu4 h TYR 171 Cb 0.48 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1iu4 h TYR 171 CO -0.12 1.33 0.00 -1.13 -0.00 0.00 0.00 178.16 178.24 1iu4 n SER 172 N -3.85 0.00 -0.15 3.88 3.41 -0.59 -4.05 113.62 112.26 1iu4 n SER 172 Ca -0.09 -0.63 -0.07 0.00 -0.26 0.00 0.00 58.87 57.81 1iu4 n SER 172 Cb 0.84 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 1iu4 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iu4 h ALA 173 N 3.26 0.60 -0.45 7.33 0.00 -1.39 -1.01 119.26 127.59 1iu4 h ALA 173 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1iu4 h ALA 173 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1iu4 h ALA 173 CO 0.00 0.03 -0.20 1.25 0.00 0.00 0.00 179.25 180.33 1iu4 h LEU 174 N 0.62 0.96 -1.26 0.00 6.46 -1.83 -2.87 115.31 117.39 1iu4 h LEU 174 Ca 0.18 -0.40 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 1iu4 h LEU 174 Cb -0.05 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 1iu4 h LEU 174 CO -0.05 1.14 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.74 1iu4 h ARG 175 N 0.77 0.40 0.07 1.25 2.43 -1.75 -2.99 114.38 114.57 1iu4 h ARG 175 Ca 0.10 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 1iu4 h ARG 175 Cb 0.77 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1iu4 h ARG 175 CO 0.06 0.50 -1.13 -0.91 -1.51 0.00 0.00 179.97 176.98 1iu4 h ASN 176 N 0.38 0.25 -0.59 -3.80 -0.26 -1.08 -3.46 115.58 107.02 1iu4 h ASN 176 Ca 0.08 -0.26 -0.63 0.00 -0.56 0.00 0.00 56.30 54.92 1iu4 h ASN 176 Cb 0.39 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.53 1iu4 h ASN 176 CO 0.02 1.20 1.50 0.41 -1.06 0.00 0.00 177.43 179.50 1iu4 n THR 177 N -3.47 0.06 -0.15 2.81 -1.04 -1.09 -4.87 114.28 106.53 1iu4 n THR 177 Ca -0.05 -0.19 -0.06 0.00 -2.04 0.00 0.00 64.05 61.71 1iu4 n THR 177 Cb 0.98 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1iu4 n THR 177 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1iu4 h PRO 178 N 12.22 -0.18 0.00 -2.82 0.11 -1.88 0.11 132.00 139.56 1iu4 h PRO 178 Ca -0.17 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1iu4 h PRO 178 Cb 1.34 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1iu4 h PRO 178 CO 1.14 -0.12 0.14 0.66 -0.21 0.00 0.00 178.00 179.62 1iu4 h SER 179 N -0.19 0.00 -0.71 -2.05 4.64 -1.90 0.18 113.55 113.52 1iu4 h SER 179 Ca 0.21 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1iu4 h SER 179 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 1iu4 h SER 179 CO -0.58 0.00 0.47 0.15 -0.87 0.00 0.00 176.83 176.00 1iu4 h PHE 180 N 0.00 0.64 0.00 4.77 3.57 -1.02 -3.14 116.94 121.77 1iu4 h PHE 180 Ca 0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 1iu4 h PHE 180 Cb 0.29 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1iu4 h PHE 180 CO 0.00 0.31 -1.21 0.87 -2.23 0.00 0.00 178.31 176.05 1iu4 h LYS 181 N 0.61 0.00 -7.11 1.11 1.57 -1.04 0.14 116.57 111.84 1iu4 h LYS 181 Ca 0.33 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.61 1iu4 h LYS 181 Cb 0.47 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.85 1iu4 h LYS 181 CO -0.11 0.39 0.41 -1.21 -0.57 0.00 0.00 179.45 178.36 1iu4 s GLU 182 N -2.90 3.29 0.08 3.15 2.02 -1.18 -4.37 118.70 118.80 1iu4 s GLU 182 Ca -0.01 1.52 0.07 0.00 0.02 0.00 0.00 54.97 56.57 1iu4 s GLU 182 Cb 0.08 -2.01 -0.22 0.00 0.10 0.00 0.00 34.13 32.09 1iu4 s GLU 182 CO 0.80 -0.88 1.14 0.07 0.02 0.00 0.00 175.26 176.41 1iu4 h ARG 183 N 0.97 0.02 -6.39 1.61 0.11 -1.90 0.26 114.38 109.05 1iu4 h ARG 183 Ca -0.49 -0.04 -0.54 0.00 0.10 0.00 0.00 59.98 59.02 1iu4 h ARG 183 Cb 1.25 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 1iu4 h ARG 183 CO 0.57 0.92 0.19 -0.80 0.10 0.00 0.00 179.97 180.95 1iu4 s ASN 184 N -6.62 7.30 0.00 0.08 0.01 -1.26 -3.90 114.94 110.54 1iu4 s ASN 184 Ca -0.01 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1iu4 s ASN 184 Cb 0.09 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1iu4 s ASN 184 CO 0.83 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 177.08 1iu4 n GLY 185 N 2.15 0.00 0.00 0.66 0.00 -1.26 -4.69 105.19 102.05 1iu4 n GLY 185 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1iu4 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iu4 n GLY 186 N 1.38 1.60 2.50 -0.02 0.00 -1.25 -4.52 105.19 104.87 1iu4 n GLY 186 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1iu4 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iu4 n ASN 187 N 0.00 -3.97 0.00 1.61 4.05 0.90 -2.72 115.26 115.12 1iu4 n ASN 187 Ca 0.00 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.18 1iu4 n ASN 187 Cb 0.00 -3.37 0.00 0.00 1.23 0.00 0.00 39.78 37.64 1iu4 n ASN 187 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1iu4 n HIS 188 N -3.45 0.00 -2.94 1.20 8.25 0.37 -4.96 115.22 113.69 1iu4 n HIS 188 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 1iu4 n HIS 188 Cb 0.61 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 1iu4 n HIS 188 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1iu4 s ASP 189 N -3.47 6.31 0.35 0.41 3.68 -1.10 -4.18 116.67 118.67 1iu4 s ASP 189 Ca 0.00 -0.49 0.14 0.00 2.13 0.00 0.00 52.55 54.33 1iu4 s ASP 189 Cb 0.00 -2.39 1.00 0.00 -1.45 0.00 0.00 42.92 40.08 1iu4 s ASP 189 CO 0.00 -1.10 1.72 -0.65 0.13 0.00 0.00 175.17 175.27 1iu4 h PRO 190 N 9.19 0.45 0.00 4.34 0.11 -1.79 -0.79 132.00 143.51 1iu4 h PRO 190 Ca -0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1iu4 h PRO 190 Cb 1.08 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1iu4 h PRO 190 CO 1.04 0.30 -0.03 0.66 -0.21 0.00 0.00 178.00 179.76 1iu4 h SER 191 N 0.46 0.00 0.00 -2.05 4.64 -0.68 -0.84 113.55 115.08 1iu4 h SER 191 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1iu4 h SER 191 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1iu4 h SER 191 CO -0.47 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.06 1iu4 n ARG 192 N -3.27 0.91 -4.58 4.77 1.74 -0.30 -4.77 116.66 111.17 1iu4 n ARG 192 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1iu4 n ARG 192 Cb 0.17 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 1iu4 n ARG 192 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1iu4 s MET 193 N -2.00 2.11 -0.06 5.56 -1.94 -0.32 -0.92 119.30 121.73 1iu4 s MET 193 Ca 0.05 -2.20 -0.06 0.00 -1.71 0.00 0.00 55.69 51.78 1iu4 s MET 193 Cb 0.02 -1.66 0.01 0.00 2.01 0.00 0.00 34.83 35.22 1iu4 s MET 193 CO 0.04 -0.22 0.16 0.21 -0.01 0.00 0.00 175.02 175.20 1iu4 s LYS 194 N -3.84 0.22 -0.18 2.03 2.20 0.29 -4.63 119.74 115.84 1iu4 s LYS 194 Ca 0.23 0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 1iu4 s LYS 194 Cb 0.05 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 1iu4 s LYS 194 CO 0.12 -0.03 0.55 0.00 -0.36 0.00 0.00 175.35 175.63 1iu4 s ALA 195 N -0.05 3.53 0.10 3.13 0.00 -1.26 -0.62 121.76 126.58 1iu4 s ALA 195 Ca -0.01 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1iu4 s ALA 195 Cb -0.02 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1iu4 s ALA 195 CO 0.00 -0.40 0.10 0.14 0.00 0.00 0.00 175.76 175.60 1iu4 s VAL 196 N 1.55 4.52 -0.05 0.00 -7.23 0.14 -4.84 120.40 114.49 1iu4 s VAL 196 Ca 0.26 -0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1iu4 s VAL 196 Cb -0.16 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1iu4 s VAL 196 CO 0.10 0.06 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.31 1iu4 s ILE 197 N -1.49 4.19 0.21 -0.62 1.01 -0.03 -1.36 121.20 123.11 1iu4 s ILE 197 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1iu4 s ILE 197 Cb -0.12 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1iu4 s ILE 197 CO 0.22 0.52 0.09 -0.72 0.00 0.00 0.00 174.94 175.06 1iu4 s TYR 198 N -0.95 1.27 -0.09 3.97 1.13 -0.44 -1.21 117.35 121.03 1iu4 s TYR 198 Ca 0.15 -1.25 0.00 0.00 -1.41 0.00 0.00 57.07 54.57 1iu4 s TYR 198 Cb -0.11 -0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1iu4 s TYR 198 CO 0.05 -0.47 -0.08 0.45 -2.51 0.00 0.00 175.55 173.00 1iu4 s SER 199 N -3.20 4.54 -0.18 -0.18 0.15 0.47 -0.40 113.70 114.88 1iu4 s SER 199 Ca 0.35 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1iu4 s SER 199 Cb 0.07 -1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.09 1iu4 s SER 199 CO 0.10 0.31 -0.03 -0.75 1.20 0.00 0.00 173.24 174.08 1iu4 s LYS 200 N -0.50 3.58 -0.03 5.44 2.20 -0.19 -2.36 119.74 127.88 1iu4 s LYS 200 Ca 0.07 -0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 54.96 1iu4 s LYS 200 Cb -0.12 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1iu4 s LYS 200 CO 0.02 0.06 0.47 -1.01 -0.36 0.00 0.00 175.35 174.53 1iu4 s HIS 201 N 0.84 3.67 0.16 4.03 3.76 -1.06 -0.86 115.29 125.82 1iu4 s HIS 201 Ca -0.00 1.02 -0.16 0.00 -0.15 0.00 0.00 55.06 55.77 1iu4 s HIS 201 Cb -0.14 -2.44 0.06 0.00 1.11 0.00 0.00 32.58 31.17 1iu4 s HIS 201 CO 0.02 0.45 0.77 1.97 -0.85 0.00 0.00 174.74 177.10 1iu4 n PHE 202 N 2.49 -1.29 -4.44 1.40 -1.74 -0.00 -1.24 117.46 112.64 1iu4 n PHE 202 Ca -0.11 -1.04 -0.34 0.00 -0.56 0.00 0.00 57.45 55.41 1iu4 n PHE 202 Cb 0.52 0.51 -0.12 0.00 1.52 0.00 0.00 39.48 41.90 1iu4 n PHE 202 CO 0.00 0.00 0.00 -0.46 -0.56 0.00 0.00 176.76 175.74 1iu4 s TRP 203 N -3.10 3.01 0.14 2.97 -0.11 -1.26 -0.69 118.94 119.90 1iu4 s TRP 203 Ca 0.17 -0.29 -0.10 0.00 1.22 0.00 0.00 56.10 57.11 1iu4 s TRP 203 Cb -0.02 -1.93 -0.06 0.00 -1.50 0.00 0.00 33.47 29.96 1iu4 s TRP 203 CO 0.05 -0.01 1.41 0.66 -4.62 0.00 0.00 176.95 174.44 1iu4 h SER 204 N 6.56 0.90 -2.53 5.86 4.64 -1.90 -3.37 113.55 123.70 1iu4 h SER 204 Ca -0.32 -0.50 -0.73 0.00 -0.47 0.00 0.00 61.79 59.77 1iu4 h SER 204 Cb 1.19 -0.26 -0.19 0.00 -0.31 0.00 0.00 62.40 62.83 1iu4 h SER 204 CO 0.61 1.29 0.95 -0.83 -0.87 0.00 0.00 176.83 177.99 1iu4 s GLY 205 N -4.03 2.31 0.00 -0.77 0.00 -1.26 -4.47 107.32 99.11 1iu4 s GLY 205 Ca -0.10 -3.16 0.22 0.00 0.00 0.00 0.00 44.72 41.68 1iu4 s GLY 205 CO 0.88 1.90 1.48 -1.06 0.00 0.00 0.00 173.10 176.30 1iu4 n GLN 206 N 5.60 2.64 -0.02 2.90 6.02 -1.26 -4.42 117.38 128.84 1iu4 n GLN 206 Ca 0.28 -2.51 -0.15 0.00 -0.01 0.00 0.00 57.00 54.62 1iu4 n GLN 206 Cb 0.45 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 30.04 1iu4 n GLN 206 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1iu4 n ASP 207 N 1.55 1.41 -0.35 1.08 8.00 -1.26 -4.88 116.55 122.10 1iu4 n ASP 207 Ca 0.22 0.28 -0.03 0.00 0.71 0.00 0.00 54.79 55.97 1iu4 n ASP 207 Cb 0.61 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1iu4 n ASP 207 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1iu4 n ARG 208 N -3.22 -1.79 0.00 -1.24 0.00 -1.26 -4.12 116.66 105.03 1iu4 n ARG 208 Ca -0.26 0.34 0.15 0.00 -0.00 0.00 0.00 57.85 58.09 1iu4 n ARG 208 Cb 1.05 -4.01 0.77 0.00 0.00 0.00 0.00 32.46 30.27 1iu4 n ARG 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1iu4 n SER 209 N 0.72 0.45 -4.63 6.15 3.41 -1.26 -5.05 113.62 113.41 1iu4 n SER 209 Ca -0.03 -0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 57.30 1iu4 n SER 209 Cb 0.27 -0.03 0.17 0.00 -0.26 0.00 0.00 64.21 64.35 1iu4 n SER 209 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1iu4 n SER 210 N -0.73 -0.02 -4.64 4.04 7.64 -1.26 -5.00 113.62 113.64 1iu4 n SER 210 Ca 0.20 0.38 -0.32 0.00 1.01 0.00 0.00 58.87 60.14 1iu4 n SER 210 Cb 0.21 -1.44 0.14 0.00 -1.01 0.00 0.00 64.21 62.12 1iu4 n SER 210 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1iu4 n SER 211 N -3.98 0.30 0.15 6.43 3.41 -1.26 -4.89 113.62 113.78 1iu4 n SER 211 Ca 0.11 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1iu4 n SER 211 Cb 0.52 -1.45 0.44 0.00 -0.26 0.00 0.00 64.21 63.46 1iu4 n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iu4 h ALA 212 N -1.40 1.00 -0.93 7.33 0.00 -2.00 -3.06 119.26 120.20 1iu4 h ALA 212 Ca -0.44 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1iu4 h ALA 212 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1iu4 h ALA 212 CO 0.42 0.00 0.62 -0.44 0.00 0.00 0.00 179.25 179.85 1iu4 h ASP 213 N 0.00 1.06 -0.18 0.00 5.19 -1.96 -2.12 116.42 118.41 1iu4 h ASP 213 Ca 0.00 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1iu4 h ASP 213 Cb 0.61 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1iu4 h ASP 213 CO 0.00 0.76 0.10 0.11 -3.12 0.00 0.00 179.24 177.09 1iu4 h LYS 214 N 1.25 0.20 -0.36 3.56 1.57 -1.71 0.57 116.57 121.66 1iu4 h LYS 214 Ca 0.34 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1iu4 h LYS 214 Cb -0.13 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.06 1iu4 h LYS 214 CO -0.08 0.14 -0.12 0.00 -0.57 0.00 0.00 179.45 178.82 1iu4 h ARG 215 N 0.21 -0.04 0.00 3.15 2.47 -1.49 0.16 114.38 118.84 1iu4 h ARG 215 Ca 0.07 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 1iu4 h ARG 215 Cb 0.00 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1iu4 h ARG 215 CO -0.04 -0.03 -0.34 0.87 0.56 0.00 0.00 179.97 180.99 1iu4 h LYS 216 N -0.04 0.00 0.00 0.04 1.79 -1.09 -2.79 116.57 114.48 1iu4 h LYS 216 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1iu4 h LYS 216 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1iu4 h LYS 216 CO -0.39 0.34 -0.64 0.66 -1.08 0.00 0.00 179.45 178.34 1iu4 n TYR 217 N -3.51 0.00 0.00 -1.35 0.53 0.20 -4.85 117.16 108.18 1iu4 n TYR 217 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1iu4 n TYR 217 Cb 0.49 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.80 1iu4 n TYR 217 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iu4 n GLY 218 N 1.95 3.99 3.48 2.72 0.00 0.56 -4.36 105.19 113.53 1iu4 n GLY 218 Ca -0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1iu4 n GLY 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iu4 s ASP 219 N 0.00 6.24 0.53 1.61 -1.08 -1.22 -4.26 116.67 118.50 1iu4 s ASP 219 Ca 0.00 -0.72 0.22 0.00 -0.52 0.00 0.00 52.55 51.53 1iu4 s ASP 219 Cb 0.00 -2.42 1.37 0.00 -1.46 0.00 0.00 42.92 40.41 1iu4 s ASP 219 CO 0.00 -1.33 2.08 1.55 0.52 0.00 0.00 175.17 177.99 1iu4 h PRO 220 N 9.44 0.00 -0.39 4.34 0.13 -1.89 -1.73 132.00 141.90 1iu4 h PRO 220 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1iu4 h PRO 220 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1iu4 h PRO 220 CO 1.13 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.65 1iu4 n ASP 221 N -4.38 3.09 -4.88 1.44 8.00 -1.26 -4.80 116.55 113.76 1iu4 n ASP 221 Ca 0.03 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.28 1iu4 n ASP 221 Cb 0.34 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1iu4 n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iu4 s ALA 222 N -1.49 3.54 -1.14 2.24 0.00 -0.65 -4.28 121.76 119.98 1iu4 s ALA 222 Ca 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 1iu4 s ALA 222 Cb 0.22 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1iu4 s ALA 222 CO 0.30 0.40 0.27 1.19 0.00 0.00 0.00 175.76 177.92 1iu4 n PHE 223 N -0.41 -1.65 -2.84 0.00 3.01 -1.26 -4.93 117.46 109.38 1iu4 n PHE 223 Ca 0.00 0.25 -0.42 0.00 1.01 0.00 0.00 57.45 58.30 1iu4 n PHE 223 Cb 0.53 -2.85 -0.04 0.00 -0.01 0.00 0.00 39.48 37.11 1iu4 n PHE 223 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1iu4 s ARG 224 N -5.54 4.32 0.76 -1.08 0.52 -1.26 -4.92 118.95 111.76 1iu4 s ARG 224 Ca 0.21 1.11 -0.15 0.00 -0.52 0.00 0.00 55.73 56.38 1iu4 s ARG 224 Cb -0.11 -3.57 0.03 0.00 0.52 0.00 0.00 34.95 31.83 1iu4 s ARG 224 CO 0.26 -0.33 1.04 -2.30 0.02 0.00 0.00 175.30 173.98 1iu4 n PRO 225 N 5.20 0.37 -2.43 3.54 -0.02 -1.26 -4.66 135.00 135.74 1iu4 n PRO 225 Ca 0.06 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 1iu4 n PRO 225 Cb 0.49 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1iu4 n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iu4 s ALA 226 N -1.94 3.60 0.40 3.55 0.00 0.46 -4.90 121.76 122.93 1iu4 s ALA 226 Ca 0.73 0.37 0.19 0.00 0.00 0.00 0.00 51.96 53.24 1iu4 s ALA 226 Cb -0.32 -3.65 1.11 0.00 0.00 0.00 0.00 23.12 20.26 1iu4 s ALA 226 CO 0.51 -1.30 1.76 -1.35 0.00 0.00 0.00 175.76 175.38 1iu4 h PRO 227 N 8.41 0.38 0.00 0.00 0.11 -1.90 0.35 132.00 139.34 1iu4 h PRO 227 Ca -0.26 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1iu4 h PRO 227 Cb 1.10 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1iu4 h PRO 227 CO 0.98 0.25 -0.37 0.78 -0.21 0.00 0.00 178.00 179.43 1iu4 h GLY 228 N 0.39 0.00 1.24 -0.55 0.00 -1.99 -3.37 103.07 98.78 1iu4 h GLY 228 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.86 1iu4 h GLY 228 CO -0.31 0.00 0.02 -0.91 0.00 0.00 0.00 176.54 175.34 1iu4 h THR 229 N -1.00 1.25 -0.04 4.70 1.35 -1.86 -3.41 112.91 113.91 1iu4 h THR 229 Ca -0.10 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 1iu4 h THR 229 Cb 1.06 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1iu4 h THR 229 CO -0.06 0.38 -0.01 0.61 -0.25 0.00 0.00 175.52 176.18 1iu4 n GLY 230 N -0.58 0.48 3.72 5.82 0.00 0.12 -4.84 105.19 109.91 1iu4 n GLY 230 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1iu4 n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iu4 s LEU 231 N -0.17 4.41 -0.12 0.99 1.43 -1.25 -1.78 118.68 122.18 1iu4 s LEU 231 Ca 0.00 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.02 1iu4 s LEU 231 Cb 0.00 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1iu4 s LEU 231 CO 0.00 -0.39 0.38 -0.69 0.23 0.00 0.00 176.35 175.88 1iu4 s VAL 232 N 0.53 5.23 -0.69 -1.59 1.01 -0.34 -0.40 120.40 124.15 1iu4 s VAL 232 Ca 0.55 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 1iu4 s VAL 232 Cb -0.30 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1iu4 s VAL 232 CO 0.32 0.38 1.32 -0.62 0.00 0.00 0.00 175.10 176.51 1iu4 s ASP 233 N 0.36 6.14 0.00 3.32 3.68 -1.26 -4.46 116.67 124.45 1iu4 s ASP 233 Ca 0.21 -0.24 0.05 0.00 2.13 0.00 0.00 52.55 54.71 1iu4 s ASP 233 Cb -0.14 -2.56 0.32 0.00 -1.45 0.00 0.00 42.92 39.09 1iu4 s ASP 233 CO 0.08 -1.81 1.16 0.23 0.13 0.00 0.00 175.17 174.96 1iu4 n MET 234 N 9.15 0.95 0.08 4.34 2.81 -1.26 -4.20 117.12 129.00 1iu4 n MET 234 Ca 0.06 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.06 1iu4 n MET 234 Cb 0.49 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 1iu4 n MET 234 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1iu4 n SER 235 N -0.59 0.72 0.00 7.83 3.41 -1.26 -1.78 113.62 121.95 1iu4 n SER 235 Ca 0.04 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1iu4 n SER 235 Cb 0.02 0.61 0.62 0.00 -0.26 0.00 0.00 64.21 65.20 1iu4 n SER 235 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iu4 n ARG 236 N -2.50 0.74 0.15 4.33 1.74 -1.26 -4.46 116.66 115.41 1iu4 n ARG 236 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1iu4 n ARG 236 Cb 0.53 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1iu4 n ARG 236 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1iu4 h ASP 237 N 0.00 -0.37 0.00 0.55 3.58 -1.63 -3.45 116.42 115.10 1iu4 h ASP 237 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1iu4 h ASP 237 Cb 0.00 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1iu4 h ASP 237 CO 0.00 -0.25 0.00 -1.14 -2.88 0.00 0.00 179.24 174.97 1iu4 n ARG 238 N -3.16 0.00 -1.00 0.28 0.63 -1.26 -4.22 116.66 107.93 1iu4 n ARG 238 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1iu4 n ARG 238 Cb 0.16 -3.83 0.00 0.00 0.45 0.00 0.00 32.46 29.24 1iu4 n ARG 238 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1iu4 n ASN 239 N 0.00 -3.50 -4.86 6.15 3.02 -1.26 -5.04 115.26 109.77 1iu4 n ASN 239 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1iu4 n ASN 239 Cb 0.00 -1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 38.07 1iu4 n ASN 239 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1iu4 s ILE 240 N -1.84 4.86 0.70 2.41 -4.36 -1.26 -4.83 121.20 116.89 1iu4 s ILE 240 Ca 0.00 0.70 -0.02 0.00 -0.26 0.00 0.00 60.65 61.07 1iu4 s ILE 240 Cb 0.00 -3.67 0.11 0.00 1.25 0.00 0.00 42.46 40.15 1iu4 s ILE 240 CO 0.00 0.06 0.97 -2.16 0.24 0.00 0.00 174.94 174.05 1iu4 s PRO 241 N -2.45 1.81 0.03 0.37 0.04 -1.26 -4.70 135.00 128.84 1iu4 s PRO 241 Ca 0.44 -0.97 -0.36 0.00 0.04 0.00 0.00 61.00 60.15 1iu4 s PRO 241 Cb -0.13 -2.32 -0.15 0.00 0.04 0.00 0.00 34.50 31.93 1iu4 s PRO 241 CO 0.20 -1.36 1.51 -2.13 0.04 0.00 0.00 177.00 175.26 1iu4 n ARG 242 N -2.80 1.50 -1.97 4.56 0.63 -1.26 -4.94 116.66 112.37 1iu4 n ARG 242 Ca 0.13 0.54 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 1iu4 n ARG 242 Cb 0.60 -2.24 -0.03 0.00 0.45 0.00 0.00 32.46 31.24 1iu4 n ARG 242 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1iu4 s SER 243 N 1.38 6.62 0.31 6.15 0.01 -1.05 -4.42 113.70 122.70 1iu4 s SER 243 Ca 0.86 2.57 -0.29 0.00 1.31 0.00 0.00 55.95 60.39 1iu4 s SER 243 Cb -0.88 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 62.64 1iu4 s SER 243 CO 0.48 -0.80 1.49 -2.65 0.41 0.00 0.00 173.24 172.17 1iu4 n PRO 244 N 4.04 2.49 0.00 12.44 -0.02 -1.26 -4.38 135.00 148.31 1iu4 n PRO 244 Ca 0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1iu4 n PRO 244 Cb 0.39 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1iu4 n PRO 244 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1iu4 n THR 245 N 1.43 0.00 -2.30 3.45 -1.04 -1.25 -4.90 114.28 109.68 1iu4 n THR 245 Ca 0.07 0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 1iu4 n THR 245 Cb 0.36 -0.37 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 1iu4 n THR 245 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1iu4 s SER 246 N -1.10 6.96 0.63 8.00 0.01 -1.26 -5.06 113.70 121.88 1iu4 s SER 246 Ca 0.00 2.20 -0.18 0.00 1.31 0.00 0.00 55.95 59.28 1iu4 s SER 246 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1iu4 s SER 246 CO 0.00 -0.54 1.26 -2.84 0.41 0.00 0.00 173.24 171.53 1iu4 s PRO 247 N 0.82 2.70 0.00 12.44 0.02 -1.26 -0.83 135.00 148.89 1iu4 s PRO 247 Ca 0.60 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1iu4 s PRO 247 Cb -0.33 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1iu4 s PRO 247 CO 0.31 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 1iu4 n GLY 248 N 0.74 2.22 3.58 0.52 0.00 -1.26 -4.95 105.19 106.05 1iu4 n GLY 248 Ca 0.15 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1iu4 n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iu4 s GLU 249 N 0.00 3.72 0.40 1.61 2.12 -0.01 -5.01 118.70 121.54 1iu4 s GLU 249 Ca 0.00 -1.74 -0.07 0.00 0.36 0.00 0.00 54.97 53.52 1iu4 s GLU 249 Cb 0.00 -5.47 -0.05 0.00 0.26 0.00 0.00 34.13 28.87 1iu4 s GLU 249 CO 0.00 -2.49 0.72 0.20 -0.54 0.00 0.00 175.26 173.14 1iu4 s GLY 250 N 4.69 1.73 0.03 -1.50 0.00 -1.26 -3.79 107.32 107.21 1iu4 s GLY 250 Ca 0.55 -0.43 0.07 0.00 0.00 0.00 0.00 44.72 44.92 1iu4 s GLY 250 CO 0.06 -0.27 -0.21 -1.36 0.00 0.00 0.00 173.10 171.32 1iu4 s PHE 251 N -2.44 2.49 0.31 1.90 0.40 -1.26 -5.06 117.98 114.32 1iu4 s PHE 251 Ca 0.48 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.23 1iu4 s PHE 251 Cb -0.10 -1.46 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 1iu4 s PHE 251 CO 0.36 0.19 1.01 0.14 0.70 0.00 0.00 175.22 177.63 1iu4 s VAL 252 N -0.85 3.84 0.14 -0.44 -7.23 -1.26 -4.73 120.40 109.87 1iu4 s VAL 252 Ca 0.13 1.67 0.10 0.00 -1.81 0.00 0.00 61.98 62.08 1iu4 s VAL 252 Cb -0.10 -3.99 -0.08 0.00 0.56 0.00 0.00 36.38 32.76 1iu4 s VAL 252 CO 0.03 0.26 1.45 -0.55 -0.31 0.00 0.00 175.10 175.99 1iu4 h ASN 253 N 3.44 0.00 -4.86 4.85 -1.07 -1.93 -3.43 115.58 112.58 1iu4 h ASN 253 Ca -0.47 0.00 0.08 0.00 0.07 0.00 0.00 56.30 55.99 1iu4 h ASN 253 Cb 1.20 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.33 1iu4 h ASN 253 CO 0.66 0.75 0.40 0.72 0.07 0.00 0.00 177.43 180.03 1iu4 s PHE 254 N -3.12 -0.35 0.22 4.14 -0.12 -1.26 -4.39 117.98 113.09 1iu4 s PHE 254 Ca 0.01 0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.09 1iu4 s PHE 254 Cb 0.11 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 43.02 1iu4 s PHE 254 CO 0.78 -0.71 -0.06 0.34 -0.05 0.00 0.00 175.22 175.52 1iu4 s ASP 255 N -2.65 2.19 -0.08 1.98 3.68 -0.37 -4.95 116.67 116.48 1iu4 s ASP 255 Ca 0.05 -1.14 -0.03 0.00 2.13 0.00 0.00 52.55 53.56 1iu4 s ASP 255 Cb -0.01 -0.07 0.04 0.00 -1.45 0.00 0.00 42.92 41.43 1iu4 s ASP 255 CO -0.07 -0.38 0.17 -0.31 0.13 0.00 0.00 175.17 174.71 1iu4 s TYR 256 N -3.22 -0.21 -0.08 -5.34 1.51 -1.26 -2.58 117.35 106.17 1iu4 s TYR 256 Ca 0.25 0.57 0.02 0.00 -1.01 0.00 0.00 57.07 56.91 1iu4 s TYR 256 Cb 0.03 -0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.84 1iu4 s TYR 256 CO 0.08 -0.19 -0.16 0.20 -1.11 0.00 0.00 175.55 174.37 1iu4 s GLY 257 N 1.23 0.98 -0.20 0.71 0.00 -1.00 -4.55 107.32 104.48 1iu4 s GLY 257 Ca -0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 1iu4 s GLY 257 CO -0.07 0.06 0.71 0.86 0.00 0.00 0.00 173.10 174.66 1iu4 s TRP 258 N 0.69 3.37 -0.22 1.90 -0.11 0.34 -0.40 118.94 124.50 1iu4 s TRP 258 Ca -0.13 1.03 -0.19 0.00 1.22 0.00 0.00 56.10 58.03 1iu4 s TRP 258 Cb -0.16 -2.90 -0.16 0.00 -1.50 0.00 0.00 33.47 28.75 1iu4 s TRP 258 CO 0.03 -0.24 0.04 0.34 -4.62 0.00 0.00 176.95 172.50 1iu4 n PHE 259 N 5.31 0.73 0.00 5.86 -0.00 -0.35 -1.04 117.46 127.96 1iu4 n PHE 259 Ca 0.01 0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1iu4 n PHE 259 Cb 0.49 -1.05 0.00 0.00 -0.00 0.00 0.00 39.48 38.92 1iu4 n PHE 259 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iu4 n GLY 260 N 1.39 1.18 2.69 7.13 0.00 -0.36 -4.40 105.19 112.83 1iu4 n GLY 260 Ca -0.37 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1iu4 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 n ALA 261 N 2.38 -2.25 -1.77 4.61 0.00 -1.26 -0.85 120.51 121.38 1iu4 n ALA 261 Ca 0.00 -0.80 -0.38 0.00 0.00 0.00 0.00 53.44 52.25 1iu4 n ALA 261 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 1iu4 n ALA 261 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1iu4 s GLN 262 N 0.13 4.11 0.21 0.00 -0.21 -1.25 -4.06 119.66 118.59 1iu4 s GLN 262 Ca 0.21 1.86 -0.01 0.00 0.02 0.00 0.00 55.36 57.44 1iu4 s GLN 262 Cb 0.29 -2.73 0.19 0.00 1.00 0.00 0.00 33.01 31.76 1iu4 s GLN 262 CO -0.15 -0.28 1.55 1.15 -2.12 0.00 0.00 175.29 175.45 1iu4 h THR 263 N 2.42 1.32 -0.82 -0.19 2.02 -0.63 -3.47 112.91 113.56 1iu4 h THR 263 Ca -0.49 -1.72 -0.67 0.00 0.77 0.00 0.00 66.41 64.30 1iu4 h THR 263 Cb 1.23 1.72 0.03 0.00 -1.74 0.00 0.00 68.15 69.39 1iu4 h THR 263 CO 0.63 0.53 0.24 1.21 0.37 0.00 0.00 175.52 178.50 1iu4 n GLU 264 N -3.98 0.00 0.05 6.66 4.07 -1.26 -4.90 120.64 121.28 1iu4 n GLU 264 Ca -0.02 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.85 1iu4 n GLU 264 Cb 0.57 -1.23 -0.15 0.00 -0.06 0.00 0.00 31.44 30.57 1iu4 n GLU 264 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iu4 h ALA 265 N 3.06 0.21 -1.77 4.31 0.00 -1.99 -3.42 119.26 119.66 1iu4 h ALA 265 Ca -0.40 -1.19 -0.53 0.00 0.00 0.00 0.00 54.91 52.79 1iu4 h ALA 265 Cb 1.15 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1iu4 h ALA 265 CO 0.63 1.06 1.48 0.34 0.00 0.00 0.00 179.25 182.76 1iu4 s ASP 266 N -7.22 5.17 0.24 0.00 2.15 -1.26 -4.89 116.67 110.86 1iu4 s ASP 266 Ca -0.18 1.30 -0.10 0.00 0.43 0.00 0.00 52.55 54.00 1iu4 s ASP 266 Cb 0.05 -2.51 0.35 0.00 -0.30 0.00 0.00 42.92 40.52 1iu4 s ASP 266 CO 0.83 -2.28 1.40 0.00 -0.17 0.00 0.00 175.17 174.95 1iu4 n ALA 267 N 12.98 0.12 0.30 3.66 0.00 -1.26 -1.91 120.51 134.40 1iu4 n ALA 267 Ca 0.29 0.96 0.17 0.00 0.00 0.00 0.00 53.44 54.87 1iu4 n ALA 267 Cb 0.50 -0.53 0.84 0.00 0.00 0.00 0.00 19.45 20.25 1iu4 n ALA 267 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iu4 h ASP 268 N 0.00 0.00 -0.15 0.00 3.45 -1.96 -2.12 116.42 115.63 1iu4 h ASP 268 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1iu4 h ASP 268 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1iu4 h ASP 268 CO -0.92 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.04 1iu4 n LYS 269 N -2.78 1.78 -3.55 3.56 5.02 -0.80 -3.37 118.16 118.01 1iu4 n LYS 269 Ca -0.01 -1.17 -0.37 0.00 -2.02 0.00 0.00 58.31 54.73 1iu4 n LYS 269 Cb 0.15 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1iu4 n LYS 269 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1iu4 s THR 270 N -1.81 5.19 -0.07 -0.18 2.01 -0.80 -4.92 115.64 115.06 1iu4 s THR 270 Ca 0.33 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 1iu4 s THR 270 Cb 0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1iu4 s THR 270 CO 0.28 0.52 0.04 0.54 -0.69 0.00 0.00 174.62 175.31 1iu4 s VAL 271 N -0.55 4.62 -0.15 3.82 0.11 -1.26 -1.01 120.40 125.98 1iu4 s VAL 271 Ca 0.21 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1iu4 s VAL 271 Cb -0.15 -3.00 0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1iu4 s VAL 271 CO 0.09 0.55 -0.15 0.26 -3.33 0.00 0.00 175.10 172.52 1iu4 s TRP 272 N -0.98 2.19 -0.10 1.54 0.52 -0.17 -4.59 118.94 117.35 1iu4 s TRP 272 Ca 0.16 -1.23 0.01 0.00 0.02 0.00 0.00 56.10 55.05 1iu4 s TRP 272 Cb -0.12 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 1iu4 s TRP 272 CO 0.05 -0.67 -0.11 0.99 0.02 0.00 0.00 176.95 177.23 1iu4 s THR 273 N 1.45 3.28 -0.17 2.01 2.01 -0.21 -1.76 115.64 122.24 1iu4 s THR 273 Ca 0.04 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 1iu4 s THR 273 Cb -0.13 -2.35 0.06 0.00 0.01 0.00 0.00 72.50 70.09 1iu4 s THR 273 CO -0.10 0.55 0.61 -1.38 -0.69 0.00 0.00 174.62 173.60 1iu4 s HIS 274 N -0.12 -0.63 0.49 4.92 -3.43 -0.01 -0.51 115.29 115.99 1iu4 s HIS 274 Ca -0.00 1.42 -0.09 0.00 -0.80 0.00 0.00 55.06 55.59 1iu4 s HIS 274 Cb -0.13 0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 1iu4 s HIS 274 CO 0.03 -0.40 0.84 0.20 -2.00 0.00 0.00 174.74 173.42 1iu4 s GLY 275 N -0.15 1.70 0.07 -1.38 0.00 -1.25 0.28 107.32 106.60 1iu4 s GLY 275 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1iu4 s GLY 275 CO 0.03 -0.08 1.12 3.45 0.00 0.00 0.00 173.10 177.62 1iu4 h ASN 276 N 0.48 0.26 -5.58 1.64 -1.07 -1.52 -3.33 115.58 106.46 1iu4 h ASN 276 Ca -0.46 -0.30 0.23 0.00 0.07 0.00 0.00 56.30 55.84 1iu4 h ASN 276 Cb 1.20 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 37.31 1iu4 h ASN 276 CO 0.62 1.24 0.71 -1.38 0.07 0.00 0.00 177.43 178.69 1iu4 s HIS 277 N -2.67 0.05 1.01 4.14 -3.43 -1.26 -4.73 115.29 108.40 1iu4 s HIS 277 Ca -0.03 -0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 1iu4 s HIS 277 Cb 0.08 0.64 0.20 0.00 -1.43 0.00 0.00 32.58 32.07 1iu4 s HIS 277 CO 0.86 -0.66 1.08 1.52 -2.00 0.00 0.00 174.74 175.53 1iu4 s TYR 278 N -2.12 1.76 -0.63 0.38 -0.85 -1.25 -3.98 117.35 110.66 1iu4 s TYR 278 Ca 0.24 1.35 -0.27 0.00 -0.52 0.00 0.00 57.07 57.87 1iu4 s TYR 278 Cb -0.02 -3.18 0.02 0.00 0.38 0.00 0.00 41.96 39.16 1iu4 s TYR 278 CO 0.03 -3.10 1.38 -1.58 -1.52 0.00 0.00 175.55 170.76 1iu4 s HIS 279 N -2.68 2.27 -0.54 -3.49 5.65 -0.41 -3.91 115.29 112.18 1iu4 s HIS 279 Ca 0.66 0.31 0.07 0.00 0.25 0.00 0.00 55.06 56.35 1iu4 s HIS 279 Cb -0.22 -4.46 0.33 0.00 -1.18 0.00 0.00 32.58 27.05 1iu4 s HIS 279 CO 0.60 -1.99 0.88 0.00 -0.65 0.00 0.00 174.74 173.58 1iu4 n ALA 280 N 9.67 4.02 0.18 1.58 0.00 0.65 -0.66 120.51 135.95 1iu4 n ALA 280 Ca 0.09 -4.41 0.03 0.00 0.00 0.00 0.00 53.44 49.15 1iu4 n ALA 280 Cb 0.49 -0.79 0.34 0.00 0.00 0.00 0.00 19.45 19.49 1iu4 n ALA 280 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iu4 h PRO 281 N 3.11 0.00 0.00 0.00 0.13 -1.82 0.08 132.00 133.50 1iu4 h PRO 281 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1iu4 h PRO 281 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1iu4 h PRO 281 CO 0.75 0.41 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 1iu4 n ASN 282 N -3.95 0.00 -3.43 1.44 5.03 -1.25 -4.66 115.26 108.45 1iu4 n ASN 282 Ca -0.02 -0.79 -0.15 0.00 0.87 0.00 0.00 54.58 54.50 1iu4 n ASN 282 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.16 1iu4 n ASN 282 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1iu4 s GLY 283 N -1.74 1.52 0.23 7.41 0.00 -0.86 -4.61 107.32 109.26 1iu4 s GLY 283 Ca 0.13 -1.56 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 1iu4 s GLY 283 CO 0.10 -1.07 1.59 0.23 0.00 0.00 0.00 173.10 173.95 1iu4 h SER 284 N 2.18 -0.87 -0.80 1.64 0.87 -1.85 -2.41 113.55 112.31 1iu4 h SER 284 Ca -0.28 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1iu4 h SER 284 Cb 1.24 0.52 -0.04 0.00 -0.44 0.00 0.00 62.40 63.69 1iu4 h SER 284 CO 0.39 -0.27 0.51 0.25 -0.53 0.00 0.00 176.83 177.18 1iu4 h LEU 285 N -0.03 0.94 0.00 2.23 5.85 -1.93 -3.48 115.31 118.88 1iu4 h LEU 285 Ca 0.34 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1iu4 h LEU 285 Cb 0.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1iu4 h LEU 285 CO -0.79 0.71 0.00 0.61 -0.34 0.00 0.00 178.44 178.62 1iu4 n GLY 286 N -1.26 0.41 3.76 3.75 0.00 -0.04 -4.89 105.19 106.93 1iu4 n GLY 286 Ca 0.08 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1iu4 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iu4 s ALA 287 N -1.47 2.62 0.29 4.61 0.00 -1.24 -0.26 121.76 126.32 1iu4 s ALA 287 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1iu4 s ALA 287 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1iu4 s ALA 287 CO 0.00 -0.96 1.02 1.41 0.00 0.00 0.00 175.76 177.23 1iu4 s MET 288 N -3.34 4.62 -0.04 0.00 1.75 -1.25 -4.76 119.30 116.28 1iu4 s MET 288 Ca 0.75 1.59 0.06 0.00 -1.25 0.00 0.00 55.69 56.84 1iu4 s MET 288 Cb -0.27 -3.05 -0.02 0.00 2.84 0.00 0.00 34.83 34.33 1iu4 s MET 288 CO 0.30 0.26 -0.21 -1.01 -0.65 0.00 0.00 175.02 173.71 1iu4 s HIS 289 N -1.31 2.50 -0.23 4.11 3.76 -1.26 -1.04 115.29 121.81 1iu4 s HIS 289 Ca 0.46 -0.42 -0.14 0.00 -0.15 0.00 0.00 55.06 54.82 1iu4 s HIS 289 Cb -0.27 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 1iu4 s HIS 289 CO 0.34 -0.01 0.32 0.14 -0.85 0.00 0.00 174.74 174.67 1iu4 s VAL 290 N -0.51 5.24 0.30 -0.90 -7.23 0.15 -1.39 120.40 116.05 1iu4 s VAL 290 Ca 0.07 0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 60.65 1iu4 s VAL 290 Cb -0.11 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 1iu4 s VAL 290 CO 0.01 0.26 0.63 -0.31 -0.31 0.00 0.00 175.10 175.37 1iu4 s TYR 291 N 1.40 3.44 -0.35 2.82 1.51 0.14 -0.67 117.35 125.64 1iu4 s TYR 291 Ca 0.15 0.90 -0.00 0.00 -1.01 0.00 0.00 57.07 57.11 1iu4 s TYR 291 Cb -0.15 -2.30 0.12 0.00 -0.11 0.00 0.00 41.96 39.52 1iu4 s TYR 291 CO 0.07 0.14 0.16 -1.21 -1.11 0.00 0.00 175.55 173.61 1iu4 s GLU 292 N -3.24 0.80 0.06 -0.62 2.02 0.39 -0.83 118.70 117.27 1iu4 s GLU 292 Ca 0.48 -1.34 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1iu4 s GLU 292 Cb -0.11 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 1iu4 s GLU 292 CO 0.25 -1.08 0.02 -1.12 0.02 0.00 0.00 175.26 173.34 1iu4 s SER 293 N 1.19 5.18 0.84 -0.19 0.01 -0.72 -1.73 113.70 118.27 1iu4 s SER 293 Ca 0.14 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.20 1iu4 s SER 293 Cb -0.20 -1.31 0.10 0.00 0.21 0.00 0.00 66.02 64.81 1iu4 s SER 293 CO -0.14 0.21 1.09 -0.54 0.41 0.00 0.00 173.24 174.27 1iu4 s LYS 294 N -2.08 1.72 0.32 12.44 1.02 -0.80 -1.00 119.74 131.36 1iu4 s LYS 294 Ca 0.25 0.89 0.04 0.00 0.02 0.00 0.00 55.97 57.16 1iu4 s LYS 294 Cb -0.12 -1.86 0.64 0.00 -0.52 0.00 0.00 37.83 35.97 1iu4 s LYS 294 CO 0.17 -1.94 1.88 0.35 -0.92 0.00 0.00 175.35 174.89 1iu4 h PHE 295 N -1.33 0.99 -0.51 3.18 3.04 -1.08 -1.42 116.94 119.80 1iu4 h PHE 295 Ca -0.47 0.03 0.08 0.00 3.98 0.00 0.00 57.97 61.58 1iu4 h PHE 295 Cb 1.26 -0.32 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 1iu4 h PHE 295 CO 0.48 0.44 0.16 0.07 -2.02 0.00 0.00 178.31 177.44 1iu4 h ARG 296 N 0.90 0.32 -0.07 1.11 0.11 -1.87 -1.41 114.38 113.47 1iu4 h ARG 296 Ca 0.43 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.44 1iu4 h ARG 296 Cb 0.44 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1iu4 h ARG 296 CO -0.20 0.21 -0.20 -0.91 0.10 0.00 0.00 179.97 178.97 1iu4 h ASN 297 N 0.33 0.11 -0.25 0.08 4.21 -1.61 -1.69 115.58 116.76 1iu4 h ASN 297 Ca 0.25 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 1iu4 h ASN 297 Cb 0.30 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1iu4 h ASN 297 CO -0.28 0.32 0.07 -0.25 -1.29 0.00 0.00 177.43 176.00 1iu4 h TRP 298 N 0.11 0.41 -0.01 1.19 2.91 -0.56 -2.93 115.95 117.07 1iu4 h TRP 298 Ca 0.02 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1iu4 h TRP 298 Cb 0.43 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1iu4 h TRP 298 CO 0.00 0.47 -0.01 -1.13 -1.03 0.00 0.00 178.44 176.75 1iu4 n SER 299 N -4.73 0.66 -0.15 2.65 3.41 -0.80 -3.80 113.62 110.85 1iu4 n SER 299 Ca -0.03 -1.18 -0.07 0.00 -0.26 0.00 0.00 58.87 57.32 1iu4 n SER 299 Cb 0.17 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1iu4 n SER 299 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iu4 h GLU 300 N 1.03 -0.23 -3.49 4.33 4.39 -1.11 -3.47 114.58 116.02 1iu4 h GLU 300 Ca 0.00 0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.92 1iu4 h GLU 300 Cb 0.23 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 1iu4 h GLU 300 CO 0.00 -0.15 -1.13 0.41 -1.16 0.00 0.00 179.01 176.98 1iu4 n GLY 301 N -1.42 -3.64 3.83 -3.84 0.00 -1.25 -5.03 105.19 93.84 1iu4 n GLY 301 Ca 0.02 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1iu4 n GLY 301 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iu4 s TYR 302 N -4.71 2.94 0.66 1.61 1.51 -1.26 -4.97 117.35 113.13 1iu4 s TYR 302 Ca 0.00 -0.25 0.29 0.00 -1.01 0.00 0.00 57.07 56.10 1iu4 s TYR 302 Cb 0.00 -1.65 1.59 0.00 -0.11 0.00 0.00 41.96 41.79 1iu4 s TYR 302 CO 0.00 0.31 1.90 1.03 -1.11 0.00 0.00 175.55 177.68 1iu4 h SER 303 N 1.36 0.00 0.16 2.29 0.87 -2.03 -3.08 113.55 113.11 1iu4 h SER 303 Ca -0.46 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1iu4 h SER 303 Cb 1.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1iu4 h SER 303 CO 0.59 0.00 -0.13 0.44 -0.53 0.00 0.00 176.83 177.20 1iu4 h ASP 304 N 0.00 0.00 -3.25 6.23 3.32 -1.93 -3.44 116.42 117.35 1iu4 h ASP 304 Ca 0.02 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.55 1iu4 h ASP 304 Cb 0.73 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.90 1iu4 h ASP 304 CO -0.00 0.13 -0.79 -0.36 -1.72 0.00 0.00 179.24 176.50 1iu4 s PHE 305 N -4.67 1.38 -0.95 4.55 2.99 -1.17 -4.46 117.98 115.65 1iu4 s PHE 305 Ca -0.04 -0.76 0.10 0.00 0.00 0.00 0.00 56.93 56.22 1iu4 s PHE 305 Cb 0.16 -1.17 0.23 0.00 0.00 0.00 0.00 43.02 42.23 1iu4 s PHE 305 CO 0.67 -0.52 1.13 -0.40 -0.00 0.00 0.00 175.22 176.10 1iu4 n ASP 306 N 4.96 2.59 -3.96 1.36 5.75 0.13 -4.72 116.55 122.67 1iu4 n ASP 306 Ca -0.11 -1.85 -0.19 0.00 -0.01 0.00 0.00 54.79 52.63 1iu4 n ASP 306 Cb 0.49 -0.16 -0.15 0.00 -1.03 0.00 0.00 41.12 40.27 1iu4 n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1iu4 s ARG 307 N -0.96 0.72 0.05 0.11 6.06 -0.30 -4.55 118.95 120.08 1iu4 s ARG 307 Ca 0.19 -0.21 0.07 0.00 -2.50 0.00 0.00 55.73 53.28 1iu4 s ARG 307 Cb 0.10 -0.70 -0.03 0.00 0.06 0.00 0.00 34.95 34.39 1iu4 s ARG 307 CO 0.14 0.07 -0.20 0.20 -2.50 0.00 0.00 175.30 173.01 1iu4 s GLY 308 N 0.25 1.10 -0.03 8.12 0.00 -1.26 -0.82 107.32 114.68 1iu4 s GLY 308 Ca -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 1iu4 s GLY 308 CO 0.00 -1.01 0.12 0.00 0.00 0.00 0.00 173.10 172.21 1iu4 s ALA 309 N -0.87 -0.28 -0.30 3.20 0.00 -0.04 -4.71 121.76 118.77 1iu4 s ALA 309 Ca 0.07 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1iu4 s ALA 309 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1iu4 s ALA 309 CO 0.02 -0.09 0.16 0.71 0.00 0.00 0.00 175.76 176.56 1iu4 s TYR 310 N -0.30 3.18 0.11 0.00 1.51 0.46 -1.02 117.35 121.28 1iu4 s TYR 310 Ca -0.04 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1iu4 s TYR 310 Cb -0.03 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1iu4 s TYR 310 CO 0.00 -0.35 -0.05 0.54 -1.11 0.00 0.00 175.55 174.59 1iu4 s VAL 311 N 1.67 3.65 -0.03 0.71 0.11 0.46 0.62 120.40 127.59 1iu4 s VAL 311 Ca 0.06 -1.18 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 1iu4 s VAL 311 Cb -0.16 -2.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1iu4 s VAL 311 CO 0.08 0.09 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.20 1iu4 s ILE 312 N -1.31 3.37 0.22 7.04 1.01 -0.52 -1.33 121.20 129.69 1iu4 s ILE 312 Ca 0.24 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1iu4 s ILE 312 Cb -0.11 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1iu4 s ILE 312 CO 0.16 0.51 0.42 1.07 0.00 0.00 0.00 174.94 177.10 1iu4 n THR 313 N 1.99 0.00 -4.97 2.92 5.66 -0.47 -4.60 114.28 114.81 1iu4 n THR 313 Ca -0.17 -0.63 -0.28 0.00 -3.05 0.00 0.00 64.05 59.93 1iu4 n THR 313 Cb 0.52 0.57 -0.15 0.00 -1.55 0.00 0.00 70.33 69.72 1iu4 n THR 313 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1iu4 s PHE 314 N -4.97 1.95 0.13 1.09 0.40 -1.26 0.25 117.98 115.57 1iu4 s PHE 314 Ca 0.10 -0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1iu4 s PHE 314 Cb -0.02 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 1iu4 s PHE 314 CO 0.07 0.01 -0.22 0.96 0.70 0.00 0.00 175.22 176.74 1iu4 s ILE 315 N -0.60 1.94 -0.10 0.64 -4.36 0.21 -4.91 121.20 114.02 1iu4 s ILE 315 Ca 0.08 -1.71 -0.38 0.00 -0.26 0.00 0.00 60.65 58.38 1iu4 s ILE 315 Cb -0.09 -1.78 -0.16 0.00 1.25 0.00 0.00 42.46 41.68 1iu4 s ILE 315 CO -0.00 -0.06 1.55 -2.65 0.24 0.00 0.00 174.94 174.02 1iu4 n PRO 316 N 0.83 1.19 0.21 0.37 -0.02 -1.26 -0.55 135.00 135.78 1iu4 n PRO 316 Ca -0.17 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1iu4 n PRO 316 Cb 0.54 -2.10 0.72 0.00 -0.02 0.00 0.00 33.50 32.64 1iu4 n PRO 316 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iu4 h LYS 317 N 5.98 0.00 0.00 -0.52 1.57 -1.29 0.99 116.57 123.31 1iu4 h LYS 317 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1iu4 h LYS 317 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1iu4 h LYS 317 CO 0.87 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.62 1iu4 n SER 318 N -2.45 0.00 -4.89 0.86 3.41 -1.26 -4.83 113.62 104.46 1iu4 n SER 318 Ca -0.02 0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.61 1iu4 n SER 318 Cb 0.10 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 1iu4 n SER 318 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1iu4 s TRP 319 N -2.85 3.50 -0.24 7.33 0.52 0.34 -4.24 118.94 123.31 1iu4 s TRP 319 Ca 0.14 0.94 0.12 0.00 0.02 0.00 0.00 56.10 57.32 1iu4 s TRP 319 Cb 0.14 -2.37 0.50 0.00 -1.15 0.00 0.00 33.47 30.59 1iu4 s TRP 319 CO 0.36 -0.13 1.43 -1.71 0.02 0.00 0.00 176.95 176.92 1iu4 n ASN 320 N -1.52 2.98 0.00 2.95 5.15 -0.55 -4.72 115.26 119.56 1iu4 n ASN 320 Ca 0.01 -3.45 0.13 0.00 -0.60 0.00 0.00 54.58 50.67 1iu4 n ASN 320 Cb 0.54 -0.59 0.65 0.00 -0.53 0.00 0.00 39.78 39.85 1iu4 n ASN 320 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1iu4 n THR 321 N -0.93 0.17 -3.01 -0.44 -2.24 -1.13 -3.68 114.28 103.03 1iu4 n THR 321 Ca 0.28 0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.86 1iu4 n THR 321 Cb 0.96 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1iu4 n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iu4 n ALA 322 N -1.29 3.87 -1.76 6.98 0.00 -1.26 -4.94 120.51 122.11 1iu4 n ALA 322 Ca 0.12 -4.31 -0.30 0.00 0.00 0.00 0.00 53.44 48.95 1iu4 n ALA 322 Cb 0.21 -0.79 0.05 0.00 0.00 0.00 0.00 19.45 18.92 1iu4 n ALA 322 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iu4 s PRO 323 N -3.16 2.76 0.31 0.00 0.04 -1.24 -4.21 135.00 129.50 1iu4 s PRO 323 Ca 0.46 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.18 1iu4 s PRO 323 Cb 0.30 -2.00 0.82 0.00 0.04 0.00 0.00 34.50 33.66 1iu4 s PRO 323 CO -0.12 -1.13 1.74 -0.44 0.04 0.00 0.00 177.00 177.08 1iu4 h ASP 324 N -0.73 0.67 -3.17 6.66 3.45 -1.96 -3.34 116.42 118.00 1iu4 h ASP 324 Ca -0.45 0.13 -0.56 0.00 0.43 0.00 0.00 57.03 56.57 1iu4 h ASP 324 Cb 1.24 0.02 -0.36 0.00 -0.56 0.00 0.00 39.33 39.67 1iu4 h ASP 324 CO 0.62 0.15 -0.82 -0.75 -1.57 0.00 0.00 179.24 176.86 1iu4 s LYS 325 N -5.82 1.93 -0.09 3.56 2.47 -1.26 0.09 119.74 120.62 1iu4 s LYS 325 Ca -0.11 -0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 53.86 1iu4 s LYS 325 Cb 0.26 -1.84 -0.03 0.00 -1.46 0.00 0.00 37.83 34.76 1iu4 s LYS 325 CO 0.80 -0.23 -0.01 0.54 0.16 0.00 0.00 175.35 176.61 1iu4 s VAL 326 N 1.51 4.23 -0.19 4.02 0.11 -1.26 -5.09 120.40 123.73 1iu4 s VAL 326 Ca 0.03 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1iu4 s VAL 326 Cb -0.13 -2.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.95 1iu4 s VAL 326 CO -0.08 0.59 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.54 1iu4 s LYS 327 N -0.74 3.11 0.38 1.54 0.00 -1.26 -4.67 119.74 118.09 1iu4 s LYS 327 Ca 0.12 -0.77 -0.27 0.00 0.00 0.00 0.00 55.97 55.05 1iu4 s LYS 327 Cb -0.12 -2.71 -0.10 0.00 0.00 0.00 0.00 37.83 34.91 1iu4 s LYS 327 CO 0.02 -0.20 1.35 -0.65 0.00 0.00 0.00 175.35 175.87 1iu4 s GLN 328 N 1.34 4.12 0.52 1.78 -0.21 -1.26 -4.90 119.66 121.04 1iu4 s GLN 328 Ca 0.05 2.28 0.00 0.00 0.02 0.00 0.00 55.36 57.71 1iu4 s GLN 328 Cb -0.13 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1iu4 s GLN 328 CO -0.10 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 1iu4 n GLY 329 N 0.67 -2.17 3.64 3.09 0.00 -1.26 -4.77 105.19 104.38 1iu4 n GLY 329 Ca 0.02 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1iu4 n GLY 329 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iu4 s TRP 330 N -0.20 -0.83 -1.54 1.61 -0.11 -0.21 -4.87 118.94 112.80 1iu4 s TRP 330 Ca 0.00 1.69 0.00 0.00 1.22 0.00 0.00 56.10 59.01 1iu4 s TRP 330 Cb 0.00 0.48 0.00 0.00 -1.50 0.00 0.00 33.47 32.45 1iu4 s TRP 330 CO 0.00 -0.41 0.38 -0.35 -4.62 0.00 0.00 176.95 171.96