#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i04 s ARG 3 N 0.00 3.58 0.21 0.54 0.52 -1.26 -4.96 118.95 117.58 3i04 s ARG 3 Ca 0.00 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 3i04 s ARG 3 Cb 0.00 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 3i04 s ARG 3 CO 0.00 0.29 0.33 -0.06 0.02 0.00 0.00 175.30 175.87 3i04 s PHE 4 N 0.24 3.45 0.14 -0.53 0.40 -1.26 -5.02 117.98 115.39 3i04 s PHE 4 Ca -0.03 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.19 3i04 s PHE 4 Cb -0.14 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.79 3i04 s PHE 4 CO 0.03 0.47 1.59 -0.09 0.70 0.00 0.00 175.22 177.92 3i04 h ARG 5 N 1.52 0.80 -6.27 0.44 2.43 -1.94 -3.38 114.38 107.98 3i04 h ARG 5 Ca -0.51 -0.25 -0.54 0.00 -0.81 0.00 0.00 59.98 57.87 3i04 h ARG 5 Cb 1.22 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3i04 h ARG 5 CO 0.64 0.86 1.20 0.34 -1.51 0.00 0.00 179.97 181.49 3i04 s ASP 6 N -6.29 5.87 0.61 -3.80 -1.08 -1.26 -4.91 116.67 105.81 3i04 s ASP 6 Ca -0.13 0.48 0.32 0.00 -0.52 0.00 0.00 52.55 52.71 3i04 s ASP 6 Cb 0.11 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.93 3i04 s ASP 6 CO 0.81 -1.88 2.23 -0.07 0.52 0.00 0.00 175.17 176.78 3i04 h LEU 7 N 14.05 0.00 0.00 -1.34 3.38 -2.03 -0.84 115.31 128.54 3i04 h LEU 7 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i04 h LEU 7 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i04 h LEU 7 CO 1.16 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.15 3i04 n SER 8 N -3.65 0.00 -4.56 -0.43 3.41 -1.26 -4.61 113.62 102.52 3i04 n SER 8 Ca -0.02 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 3i04 n SER 8 Cb 0.15 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 3i04 n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i04 s HIS 9 N -2.63 3.16 0.18 7.33 5.65 -0.32 -5.02 115.29 123.65 3i04 s HIS 9 Ca 0.27 0.23 0.02 0.00 0.25 0.00 0.00 55.06 55.82 3i04 s HIS 9 Cb 0.20 -3.03 -0.01 0.00 -1.18 0.00 0.00 32.58 28.57 3i04 s HIS 9 CO 0.47 -0.59 0.06 0.27 -0.65 0.00 0.00 174.74 174.30 3i04 n ASN 10 N 5.88 1.11 0.00 9.88 0.23 -1.26 -4.61 115.26 126.50 3i04 n ASN 10 Ca -0.03 -1.97 0.11 0.00 -0.53 0.00 0.00 54.58 52.16 3i04 n ASN 10 Cb 0.49 0.45 0.55 0.00 -2.08 0.00 0.00 39.78 39.18 3i04 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i04 s ARG 12 N -2.76 3.52 0.96 0.00 1.81 -1.26 -4.65 118.95 116.58 3i04 s ARG 12 Ca 0.17 -0.31 -0.12 0.00 -1.72 0.00 0.00 55.73 53.76 3i04 s ARG 12 Cb 0.15 -2.93 0.17 0.00 -0.45 0.00 0.00 34.95 31.89 3i04 s ARG 12 CO 0.38 0.52 1.10 -1.25 -0.68 0.00 0.00 175.30 175.37 3i04 s PRO 13 N -2.76 0.74 1.18 3.54 0.04 -1.24 -4.97 135.00 131.53 3i04 s PRO 13 Ca 0.38 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 3i04 s PRO 13 Cb -0.12 -1.78 0.28 0.00 0.04 0.00 0.00 34.50 32.92 3i04 s PRO 13 CO 0.27 -2.52 1.10 -1.54 0.04 0.00 0.00 177.00 174.36 3i04 s SER 14 N -3.61 1.08 0.00 6.66 1.04 -1.26 -4.93 113.70 112.68 3i04 s SER 14 Ca 0.65 0.70 0.11 0.00 0.48 0.00 0.00 55.95 57.88 3i04 s SER 14 Cb -0.17 -1.00 0.61 0.00 0.10 0.00 0.00 66.02 65.55 3i04 s SER 14 CO 0.56 -4.03 1.39 -0.62 0.98 0.00 0.00 173.24 171.52 3i04 n GLU 15 N -4.71 1.04 -1.67 4.02 -0.58 -1.26 -4.90 120.64 112.58 3i04 n GLU 15 Ca 0.12 -0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.39 3i04 n GLU 15 Cb 0.59 -1.17 0.01 0.00 -0.57 0.00 0.00 31.44 30.30 3i04 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i04 n ALA 16 N -0.60 0.92 -1.78 0.62 0.00 -1.26 -4.94 120.51 113.47 3i04 n ALA 16 Ca 0.08 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 3i04 n ALA 16 Cb 0.05 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.30 3i04 n ALA 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i04 n PRO 17 N 0.12 2.69 0.15 0.00 -0.04 -1.26 -4.92 135.00 131.74 3i04 n PRO 17 Ca 0.07 0.94 0.01 0.00 -0.04 0.00 0.00 63.50 64.49 3i04 n PRO 17 Cb 0.39 -2.68 0.21 0.00 -0.04 0.00 0.00 33.50 31.38 3i04 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i04 h ARG 18 N 3.03 0.00 -5.08 0.54 2.47 -1.93 -3.41 114.38 110.01 3i04 h ARG 18 Ca -0.51 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.55 3i04 h ARG 18 Cb 1.24 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.21 3i04 h ARG 18 CO 0.65 0.54 -0.86 0.08 0.56 0.00 0.00 179.97 180.94 3i04 s VAL 19 N -3.56 2.03 -0.19 2.04 1.01 -1.26 -4.55 120.40 115.92 3i04 s VAL 19 Ca -0.01 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 3i04 s VAL 19 Cb 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3i04 s VAL 19 CO 0.74 0.54 1.06 -0.32 0.00 0.00 0.00 175.10 177.11 3i04 s MET 20 N 1.18 4.30 -0.92 2.72 1.75 -0.52 -4.49 119.30 123.32 3i04 s MET 20 Ca 0.02 1.40 -0.08 0.00 -1.25 0.00 0.00 55.69 55.78 3i04 s MET 20 Cb -0.14 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 33.91 3i04 s MET 20 CO -0.10 -0.56 0.67 0.39 -0.65 0.00 0.00 175.02 174.77 3i04 n GLU 21 N 6.00 -1.27 0.33 4.11 1.02 -1.26 -4.81 120.64 124.75 3i04 n GLU 21 Ca 0.11 0.76 0.20 0.00 -0.02 0.00 0.00 57.16 58.21 3i04 n GLU 21 Cb 0.47 -3.34 1.06 0.00 -0.02 0.00 0.00 31.44 29.61 3i04 n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i04 h PRO 22 N -0.73 0.00 -0.01 3.49 0.13 -1.97 -0.21 132.00 132.70 3i04 h PRO 22 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3i04 h PRO 22 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3i04 h PRO 22 CO 0.39 0.00 -0.15 1.63 -0.23 0.00 0.00 178.00 179.64 3i04 n LYS 23 N -3.11 1.07 -3.25 0.86 5.02 -1.26 -4.69 118.16 112.80 3i04 n LYS 23 Ca -0.02 -0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 55.27 3i04 n LYS 23 Cb 0.18 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 3i04 n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i04 s ASN 24 N -2.33 6.31 0.38 4.39 3.84 -0.09 -4.94 114.94 122.49 3i04 s ASN 24 Ca 0.30 -0.04 0.26 0.00 0.21 0.00 0.00 52.86 53.58 3i04 s ASN 24 Cb 0.20 -2.26 0.73 0.00 -0.55 0.00 0.00 41.25 39.37 3i04 s ASN 24 CO 0.45 -0.47 1.74 0.08 -2.79 0.00 0.00 177.10 176.11 3i04 h ARG 25 N 8.45 0.00 -2.49 0.43 0.11 -1.87 -3.36 114.38 115.65 3i04 h ARG 25 Ca -0.28 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.16 3i04 h ARG 25 Cb 1.13 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.09 3i04 h ARG 25 CO 0.77 0.00 1.98 -0.25 0.10 0.00 0.00 179.97 182.57 3i04 n ASP 26 N -2.79 7.63 -3.78 0.08 8.00 -1.26 -4.76 116.55 119.66 3i04 n ASP 26 Ca 0.04 -3.04 -0.42 0.00 0.71 0.00 0.00 54.79 52.07 3i04 n ASP 26 Cb 0.43 -1.36 0.01 0.00 -0.02 0.00 0.00 41.12 40.18 3i04 n ASP 26 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i04 n ARG 27 N 1.82 4.68 -3.63 -1.24 1.85 -1.26 -4.86 116.66 114.02 3i04 n ARG 27 Ca 0.60 -4.26 -0.14 0.00 -1.00 0.00 0.00 57.85 53.05 3i04 n ARG 27 Cb 0.35 -2.58 -0.07 0.00 -1.05 0.00 0.00 32.46 29.12 3i04 n ARG 27 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i04 s THR 28 N -2.55 0.04 -0.84 8.89 -1.32 -1.26 -0.64 115.64 117.96 3i04 s THR 28 Ca 0.38 -0.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 3i04 s THR 28 Cb 0.12 -0.89 0.16 0.00 -1.51 0.00 0.00 72.50 70.38 3i04 s THR 28 CO -0.01 -0.17 1.00 1.33 -2.21 0.00 0.00 174.62 174.55 3i04 n VAL 29 N 0.74 0.56 -2.72 5.08 0.24 -0.42 -4.82 118.33 116.99 3i04 n VAL 29 Ca -0.19 -0.78 -0.43 0.00 -2.04 0.00 0.00 64.34 60.90 3i04 n VAL 29 Cb 0.58 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 3i04 n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i04 s ASP 30 N -0.86 6.99 0.25 -1.34 -1.08 -1.26 -4.93 116.67 114.44 3i04 s ASP 30 Ca 0.14 1.20 -0.01 0.00 -0.52 0.00 0.00 52.55 53.35 3i04 s ASP 30 Cb 0.08 -2.51 0.32 0.00 -1.46 0.00 0.00 42.92 39.35 3i04 s ASP 30 CO 0.11 -0.68 1.72 -0.65 0.52 0.00 0.00 175.17 176.19 3i04 h PRO 31 N 7.67 0.70 0.00 4.34 0.11 -1.98 -2.12 132.00 140.71 3i04 h PRO 31 Ca -0.20 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3i04 h PRO 31 Cb 1.07 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3i04 h PRO 31 CO 0.96 0.80 -0.06 0.00 -0.21 0.00 0.00 178.00 179.50 3i04 h ALA 32 N 1.23 1.79 0.17 -0.75 0.00 -1.94 -1.78 119.26 117.98 3i04 h ALA 32 Ca 0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 3i04 h ALA 32 Cb 0.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.39 3i04 h ALA 32 CO 0.04 0.07 -1.11 0.28 0.00 0.00 0.00 179.25 178.53 3i04 h VAL 33 N 0.00 1.35 -0.96 0.00 2.07 -1.82 -2.56 116.25 114.33 3i04 h VAL 33 Ca -0.00 -2.55 0.15 0.00 0.82 0.00 0.00 66.70 65.12 3i04 h VAL 33 Cb 0.11 3.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.86 3i04 h VAL 33 CO 0.01 0.74 0.61 -0.07 0.02 0.00 0.00 177.57 178.88 3i04 h LEU 34 N -0.22 0.75 -0.12 2.57 3.38 -1.24 0.75 115.31 121.19 3i04 h LEU 34 Ca -0.21 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i04 h LEU 34 Cb 1.81 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 3i04 h LEU 34 CO 0.17 0.35 0.02 -0.33 0.09 0.00 0.00 178.44 178.74 3i04 h GLU 35 N 0.78 0.20 0.00 1.13 5.08 -1.33 -2.96 114.58 117.48 3i04 h GLU 35 Ca 0.50 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.74 3i04 h GLU 35 Cb 0.74 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3i04 h GLU 35 CO -0.27 0.39 -0.33 0.52 -1.00 0.00 0.00 179.01 178.32 3i04 h MET 36 N -0.02 0.00 0.00 2.33 2.86 -1.02 -1.97 114.93 117.11 3i04 h MET 36 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3i04 h MET 36 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3i04 h MET 36 CO 0.00 0.33 -0.15 -0.07 1.06 0.00 0.00 176.91 178.08 3i04 h LEU 37 N 0.00 0.00 -0.04 1.22 3.38 -0.70 0.98 115.31 120.15 3i04 h LEU 37 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i04 h LEU 37 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i04 h LEU 37 CO 0.04 0.15 -0.02 0.58 0.09 0.00 0.00 178.44 179.28 3i04 h VAL 38 N 0.00 1.34 -0.09 1.22 2.07 -1.28 -1.91 116.25 117.60 3i04 h VAL 38 Ca -0.00 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 3i04 h VAL 38 Cb 0.39 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3i04 h VAL 38 CO 0.02 0.28 -0.38 0.50 0.02 0.00 0.00 177.57 178.01 3i04 h LYS 39 N -0.33 0.19 -0.04 1.57 3.64 -1.34 -2.28 116.57 117.98 3i04 h LYS 39 Ca 0.01 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.12 3i04 h LYS 39 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3i04 h LYS 39 CO 0.01 0.54 -0.77 0.66 -2.27 0.00 0.00 179.45 177.62 3i04 h SER 40 N 0.16 0.36 -0.10 4.20 4.64 -0.76 -0.43 113.55 121.62 3i04 h SER 40 Ca 0.02 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3i04 h SER 40 Cb 0.74 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3i04 h SER 40 CO 0.06 1.00 0.06 0.50 -0.87 0.00 0.00 176.83 177.58 3i04 h LYS 41 N 0.19 0.13 -0.01 4.77 3.64 -1.19 -0.48 116.57 123.62 3i04 h LYS 41 Ca -0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3i04 h LYS 41 Cb 1.35 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 3i04 h LYS 41 CO 0.12 0.11 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.67 3i04 h ASP 42 N 0.11 -0.92 0.00 4.20 3.45 -1.26 -2.29 116.42 119.72 3i04 h ASP 42 Ca 0.04 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3i04 h ASP 42 Cb 0.01 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3i04 h ASP 42 CO -0.01 -0.37 0.00 0.47 -1.57 0.00 0.00 179.24 177.76 3i04 n ASP 43 N -5.40 0.00 -2.22 6.45 8.00 -0.18 -4.88 116.55 118.31 3i04 n ASP 43 Ca -0.05 -0.68 -0.19 0.00 0.71 0.00 0.00 54.79 54.59 3i04 n ASP 43 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3i04 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i04 n LYS 44 N -0.86 -1.84 -3.38 -1.24 4.76 -0.86 -5.00 118.16 109.74 3i04 n LYS 44 Ca 0.09 0.91 -0.38 0.00 -2.87 0.00 0.00 58.31 56.06 3i04 n LYS 44 Cb 0.04 -5.47 -0.06 0.00 -1.84 0.00 0.00 35.03 27.70 3i04 n LYS 44 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i04 s VAL 45 N -2.96 5.02 -0.13 -0.18 1.01 -0.22 -5.04 120.40 117.90 3i04 s VAL 45 Ca 0.03 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 3i04 s VAL 45 Cb -0.01 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3i04 s VAL 45 CO 0.04 0.48 0.29 -0.63 0.00 0.00 0.00 175.10 175.28 3i04 s ILE 46 N -0.48 5.29 0.27 2.22 1.01 -1.26 -4.51 121.20 123.74 3i04 s ILE 46 Ca 0.26 0.55 0.07 0.00 0.00 0.00 0.00 60.65 61.52 3i04 s ILE 46 Cb -0.17 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 3i04 s ILE 46 CO 0.14 0.44 -0.06 0.42 0.00 0.00 0.00 174.94 175.88 3i04 s THR 47 N 0.07 1.64 0.47 2.92 -4.23 -1.26 -4.93 115.64 110.32 3i04 s THR 47 Ca 0.17 -2.13 0.32 0.00 -1.18 0.00 0.00 61.69 58.87 3i04 s THR 47 Cb -0.13 -2.42 0.52 0.00 1.34 0.00 0.00 72.50 71.81 3i04 s THR 47 CO 0.05 -0.32 1.68 0.00 -0.54 0.00 0.00 174.62 175.50 3i04 h ALA 48 N 2.30 2.87 -0.62 3.99 0.00 -1.98 0.23 119.26 126.06 3i04 h ALA 48 Ca -0.40 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3i04 h ALA 48 Cb 1.23 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3i04 h ALA 48 CO 0.67 -1.39 0.04 0.74 0.00 0.00 0.00 179.25 179.32 3i04 h PHE 49 N 0.12 1.13 0.11 0.00 -1.00 -1.89 0.33 116.94 115.74 3i04 h PHE 49 Ca 0.74 -0.17 -0.26 0.00 2.81 0.00 0.00 57.97 61.09 3i04 h PHE 49 Cb 2.46 -0.30 0.03 0.00 3.61 0.00 0.00 35.95 41.74 3i04 h PHE 49 CO -0.00 0.98 -1.07 -0.44 -1.61 0.00 0.00 178.31 176.17 3i04 h ASP 50 N 0.97 0.75 -0.66 2.17 3.32 -0.98 -2.94 116.42 119.05 3i04 h ASP 50 Ca 0.18 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 3i04 h ASP 50 Cb 0.50 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3i04 h ASP 50 CO 0.02 1.51 0.40 0.03 -1.72 0.00 0.00 179.24 179.49 3i04 h ARG 51 N 0.09 0.91 -0.50 3.56 3.08 -0.68 -0.53 114.38 120.30 3i04 h ARG 51 Ca -0.16 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.83 3i04 h ARG 51 Cb 1.77 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 3i04 h ARG 51 CO 0.20 0.64 0.31 0.35 -1.07 0.00 0.00 179.97 180.41 3i04 h PHE 52 N 0.93 0.58 -0.03 3.04 3.57 -0.33 -2.40 116.94 122.29 3i04 h PHE 52 Ca 0.24 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 3i04 h PHE 52 Cb -0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3i04 h PHE 52 CO 0.00 0.35 -0.66 -0.39 -2.23 0.00 0.00 178.31 175.38 3i04 h VAL 53 N 0.63 1.43 0.00 1.41 -1.51 -1.19 -2.59 116.25 114.43 3i04 h VAL 53 Ca 0.20 -2.17 -0.01 0.00 -1.23 0.00 0.00 66.70 63.49 3i04 h VAL 53 Cb -0.01 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3i04 h VAL 53 CO -0.08 0.63 -0.04 0.00 -1.23 0.00 0.00 177.57 176.86 3i04 h ALA 54 N 1.22 1.15 0.00 5.19 0.00 -0.82 -2.68 119.26 123.32 3i04 h ALA 54 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3i04 h ALA 54 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3i04 h ALA 54 CO 0.10 0.05 -0.19 1.96 0.00 0.00 0.00 179.25 181.16 3i04 h GLN 55 N 0.00 0.00 -6.89 0.00 1.08 -1.02 -3.47 115.11 104.81 3i04 h GLN 55 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3i04 h GLN 55 Cb 0.20 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.68 3i04 h GLN 55 CO 0.00 0.19 0.52 -0.65 -0.95 0.00 0.00 178.83 177.94 3i04 s GLN 56 N -3.17 4.29 0.14 1.46 -1.52 -1.01 -3.55 119.66 116.30 3i04 s GLN 56 Ca 0.05 1.88 -0.30 0.00 -1.95 0.00 0.00 55.36 55.04 3i04 s GLN 56 Cb 0.06 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.89 3i04 s GLN 56 CO 0.69 -0.13 1.02 -1.25 -0.25 0.00 0.00 175.29 175.37 3i04 s PRO 57 N -1.97 4.66 0.39 2.91 0.04 -1.26 -5.08 135.00 134.70 3i04 s PRO 57 Ca 0.52 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 3i04 s PRO 57 Cb -0.32 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.79 3i04 s PRO 57 CO 0.41 0.17 0.86 -0.65 0.04 0.00 0.00 177.00 177.83 3i04 s GLN 58 N -0.19 4.10 0.06 4.56 -0.21 -1.23 -4.95 119.66 121.79 3i04 s GLN 58 Ca 0.48 0.90 -0.34 0.00 0.02 0.00 0.00 55.36 56.42 3i04 s GLN 58 Cb -0.26 -2.29 -0.13 0.00 1.00 0.00 0.00 33.01 31.34 3i04 s GLN 58 CO 0.32 0.02 1.72 0.00 -2.12 0.00 0.00 175.29 175.24 3i04 h LYS 60 N 7.50 0.00 0.21 0.00 3.64 -1.98 -2.13 116.57 123.82 3i04 h LYS 60 Ca -0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3i04 h LYS 60 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3i04 h LYS 60 CO 0.92 0.41 -0.10 0.82 -2.27 0.00 0.00 179.45 179.22 3i04 h ILE 61 N 0.00 0.85 -0.27 2.00 2.04 -1.98 -2.62 117.51 117.52 3i04 h ILE 61 Ca -0.02 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3i04 h ILE 61 Cb 1.36 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3i04 h ILE 61 CO 0.05 0.09 -0.19 1.23 0.00 0.00 0.00 178.15 179.33 3i04 h GLY 62 N -0.48 0.53 1.78 5.37 0.00 -1.92 -2.72 103.07 105.64 3i04 h GLY 62 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i04 h GLY 62 CO 0.05 0.37 0.14 -1.82 0.00 0.00 0.00 176.54 175.28 3i04 h TYR 63 N 0.45 0.27 -0.03 5.60 3.20 -1.30 -2.28 116.97 122.88 3i04 h TYR 63 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3i04 h TYR 63 Cb 0.58 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3i04 h TYR 63 CO 0.02 0.17 -0.05 0.39 -1.64 0.00 0.00 178.16 177.05 3i04 n GLU 64 N -4.51 2.13 -0.60 1.82 1.02 -1.00 -4.15 120.64 115.36 3i04 n GLU 64 Ca 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 3i04 n GLU 64 Cb 0.08 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3i04 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 65 N 1.34 0.68 1.56 0.62 0.00 -0.86 -0.50 105.19 108.02 3i04 n GLY 65 Ca 0.14 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3i04 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i04 n ILE 66 N -2.60 2.49 -4.15 -0.61 -5.35 -1.05 -3.24 119.36 104.85 3i04 n ILE 66 Ca 0.00 -1.51 -0.34 0.00 -0.27 0.00 0.00 62.75 60.63 3i04 n ILE 66 Cb 0.00 -0.21 -0.10 0.00 -1.74 0.00 0.00 39.64 37.59 3i04 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i04 n ARG 69 N 4.01 2.86 0.00 0.00 1.74 -1.26 -1.53 116.66 122.48 3i04 n ARG 69 Ca -0.19 -3.88 0.14 0.00 -0.77 0.00 0.00 57.85 53.15 3i04 n ARG 69 Cb 0.52 -1.99 0.60 0.00 -1.02 0.00 0.00 32.46 30.56 3i04 n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i04 n PHE 70 N -0.67 0.04 -4.05 -1.55 3.01 -1.26 -4.89 117.46 108.09 3i04 n PHE 70 Ca 0.31 0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.64 3i04 n PHE 70 Cb 0.91 -0.51 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 3i04 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i04 n MET 72 N -0.53 1.01 0.14 0.00 2.81 -1.26 -2.53 117.12 116.75 3i04 n MET 72 Ca -0.00 -0.01 0.07 0.00 -1.81 0.00 0.00 57.70 55.95 3i04 n MET 72 Cb 0.62 -1.29 0.05 0.00 -0.71 0.00 0.00 33.22 31.88 3i04 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i04 h ALA 73 N 3.59 0.73 -3.00 3.04 0.00 -1.98 -3.47 119.26 118.17 3i04 h ALA 73 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i04 h ALA 73 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 73 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3i04 n GLY 74 N 1.20 0.53 3.77 0.00 0.00 -1.05 -4.84 105.19 104.81 3i04 n GLY 74 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 3i04 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i04 s PRO 75 N 1.31 3.89 0.06 1.61 0.02 -1.26 -5.07 135.00 135.55 3i04 s PRO 75 Ca 0.00 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.51 3i04 s PRO 75 Cb 0.00 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3i04 s PRO 75 CO 0.00 -0.65 -0.10 0.00 -0.33 0.00 0.00 177.00 175.92 3i04 s ARG 77 N -1.83 0.59 -0.26 0.00 1.70 -1.26 -0.61 118.95 117.28 3i04 s ARG 77 Ca 0.19 -0.93 -0.24 0.00 -0.47 0.00 0.00 55.73 54.27 3i04 s ARG 77 Cb -0.11 -0.17 -0.00 0.00 -0.57 0.00 0.00 34.95 34.10 3i04 s ARG 77 CO 0.10 0.00 0.82 0.42 -1.08 0.00 0.00 175.30 175.57 3i04 s ILE 78 N -2.21 4.82 -0.27 4.99 -1.09 -1.01 -4.83 121.20 121.60 3i04 s ILE 78 Ca -0.04 1.48 0.22 0.00 -2.23 0.00 0.00 60.65 60.08 3i04 s ILE 78 Cb -0.04 -4.13 -0.30 0.00 -1.58 0.00 0.00 42.46 36.41 3i04 s ILE 78 CO -0.02 -0.12 0.61 0.29 -1.23 0.00 0.00 174.94 174.47 3i04 n LYS 79 N 6.07 0.50 -3.82 2.79 5.02 0.40 -5.03 118.16 124.09 3i04 n LYS 79 Ca 0.05 -0.14 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 3i04 n LYS 79 Cb 0.48 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3i04 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i04 s ALA 80 N -3.39 -1.34 -0.30 7.82 0.00 -1.17 -4.98 121.76 118.40 3i04 s ALA 80 Ca -0.04 -0.23 0.21 0.00 0.00 0.00 0.00 51.96 51.90 3i04 s ALA 80 Cb 0.14 0.73 0.14 0.00 0.00 0.00 0.00 23.12 24.13 3i04 s ALA 80 CO 0.89 -1.04 1.31 1.79 0.00 0.00 0.00 175.76 178.72 3i04 h THR 81 N 2.00 0.16 -4.53 0.00 1.35 -1.91 -3.34 112.91 106.63 3i04 h THR 81 Ca -0.24 -1.26 -0.26 0.00 -0.55 0.00 0.00 66.41 64.10 3i04 h THR 81 Cb 1.24 1.88 -0.14 0.00 -1.73 0.00 0.00 68.15 69.40 3i04 h THR 81 CO 0.28 0.09 -0.54 1.51 -0.25 0.00 0.00 175.52 176.62 3i04 s ASP 82 N -5.90 0.39 0.00 5.36 -4.77 -1.26 -4.85 116.67 105.64 3i04 s ASP 82 Ca 0.03 -1.41 0.00 0.00 -3.30 0.00 0.00 52.55 47.87 3i04 s ASP 82 Cb 0.07 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 3i04 s ASP 82 CO 0.74 -0.92 0.00 0.61 0.70 0.00 0.00 175.17 176.30 3i04 n GLY 83 N -0.35 -2.27 0.28 2.12 0.00 -1.26 -4.10 105.19 99.61 3i04 n GLY 83 Ca 0.02 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.60 3i04 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 84 N 0.00 0.00 -0.52 1.61 0.13 -1.99 -2.50 132.00 128.72 3i04 h PRO 84 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i04 h PRO 84 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i04 h PRO 84 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3i04 n GLY 85 N -1.12 1.87 0.60 1.56 0.00 -1.26 -4.38 105.19 102.46 3i04 n GLY 85 Ca -0.02 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.39 3i04 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i04 n SER 86 N 1.42 1.81 -4.01 1.61 3.41 -0.94 -0.46 113.62 116.46 3i04 n SER 86 Ca 0.21 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 57.02 3i04 n SER 86 Cb 0.57 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3i04 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i04 s ARG 87 N -1.80 0.91 1.23 4.33 0.52 -1.26 -4.48 118.95 118.40 3i04 s ARG 87 Ca 0.33 -1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.20 3i04 s ARG 87 Cb 0.18 0.30 0.31 0.00 0.52 0.00 0.00 34.95 36.26 3i04 s ARG 87 CO 0.28 -0.28 1.00 0.20 0.02 0.00 0.00 175.30 176.52 3i04 s GLY 88 N -2.96 1.51 0.22 -3.53 0.00 -0.41 -4.85 107.32 97.31 3i04 s GLY 88 Ca 0.14 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 3i04 s GLY 88 CO -0.04 0.52 1.79 -2.22 0.00 0.00 0.00 173.10 173.15 3i04 h ILE 89 N -2.82 0.89 0.00 0.90 2.04 -1.93 -1.02 117.51 115.56 3i04 h ILE 89 Ca -0.60 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3i04 h ILE 89 Cb 1.34 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3i04 h ILE 89 CO 0.48 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.74 3i04 n GLY 91 N 0.48 0.72 3.71 0.00 0.00 -0.39 -4.91 105.19 104.80 3i04 n GLY 91 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i04 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 92 N -1.07 2.35 -1.57 4.61 0.00 -1.26 -4.63 120.51 118.95 3i04 n ALA 92 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 3i04 n ALA 92 Cb 0.00 -2.46 0.13 0.00 0.00 0.00 0.00 19.45 17.12 3i04 n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i04 s SER 93 N 0.99 3.55 0.24 0.00 0.01 -1.26 -1.29 113.70 115.93 3i04 s SER 93 Ca 0.75 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.90 3i04 s SER 93 Cb -0.56 -1.48 0.27 0.00 0.21 0.00 0.00 66.02 64.45 3i04 s SER 93 CO 0.36 -2.52 1.75 0.00 0.41 0.00 0.00 173.24 173.24 3i04 h ALA 94 N -1.48 1.06 -0.18 1.44 0.00 -1.94 -2.10 119.26 116.06 3i04 h ALA 94 Ca -0.50 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 3i04 h ALA 94 Cb 1.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i04 h ALA 94 CO 0.61 0.60 -0.11 0.11 0.00 0.00 0.00 179.25 180.46 3i04 h TRP 95 N 0.86 0.30 -0.19 0.00 0.09 -1.93 -0.48 115.95 114.61 3i04 h TRP 95 Ca 0.17 -0.03 -0.12 0.00 0.09 0.00 0.00 58.89 59.00 3i04 h TRP 95 Cb 0.42 -0.09 0.00 0.00 0.08 0.00 0.00 29.16 29.57 3i04 h TRP 95 CO 0.03 0.40 -0.33 1.15 0.09 0.00 0.00 178.44 179.77 3i04 h THR 96 N 0.27 1.34 -0.49 0.12 2.02 -1.73 -0.23 112.91 114.20 3i04 h THR 96 Ca 0.06 -1.56 -0.08 0.00 0.77 0.00 0.00 66.41 65.60 3i04 h THR 96 Cb 0.38 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3i04 h THR 96 CO 0.02 0.48 -0.00 0.40 0.37 0.00 0.00 175.52 176.79 3i04 h ILE 97 N 0.22 1.26 -0.46 3.11 2.04 -1.11 0.10 117.51 122.67 3i04 h ILE 97 Ca 0.01 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3i04 h ILE 97 Cb 0.92 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3i04 h ILE 97 CO 0.08 0.38 0.14 0.58 0.00 0.00 0.00 178.15 179.32 3i04 h VAL 98 N 0.72 1.22 -0.49 1.67 2.07 -1.06 -2.28 116.25 118.10 3i04 h VAL 98 Ca 0.14 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3i04 h VAL 98 Cb 0.51 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3i04 h VAL 98 CO 0.03 0.27 0.23 0.00 0.02 0.00 0.00 177.57 178.11 3i04 h ALA 99 N 1.00 0.62 -0.84 1.67 0.00 -0.84 -1.17 119.26 119.69 3i04 h ALA 99 Ca 0.15 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3i04 h ALA 99 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 99 CO -0.00 -0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.63 3i04 h ARG 100 N 0.45 0.89 0.00 0.00 3.08 -0.65 0.18 114.38 118.33 3i04 h ARG 100 Ca 0.22 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3i04 h ARG 100 Cb 0.16 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i04 h ARG 100 CO -0.17 0.59 -0.25 -0.91 -1.07 0.00 0.00 179.97 178.15 3i04 h ASN 101 N 0.91 0.22 -0.06 7.04 2.35 -0.76 0.76 115.58 126.04 3i04 h ASN 101 Ca 0.38 -0.80 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 3i04 h ASN 101 Cb 0.22 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3i04 h ASN 101 CO -0.19 0.99 -0.34 1.62 -1.65 0.00 0.00 177.43 177.86 3i04 h VAL 102 N -0.53 1.29 -0.60 2.81 3.04 -1.31 -3.00 116.25 117.94 3i04 h VAL 102 Ca -0.03 -1.45 0.08 0.00 -1.01 0.00 0.00 66.70 64.29 3i04 h VAL 102 Cb 1.03 1.46 -0.06 0.00 -2.01 0.00 0.00 31.29 31.71 3i04 h VAL 102 CO 0.05 0.46 0.27 1.23 -1.01 0.00 0.00 177.57 178.57 3i04 h GLY 103 N 1.05 0.86 0.99 3.17 0.00 -0.59 -1.59 103.07 106.96 3i04 h GLY 103 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i04 h GLY 103 CO 0.07 0.05 0.30 -2.00 0.00 0.00 0.00 176.54 174.96 3i04 h LEU 104 N 0.50 0.62 0.16 3.11 5.85 -0.70 0.25 115.31 125.09 3i04 h LEU 104 Ca 0.29 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3i04 h LEU 104 Cb 0.28 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3i04 h LEU 104 CO -0.24 0.50 -0.11 0.24 -0.34 0.00 0.00 178.44 178.49 3i04 h MET 105 N 0.68 -0.26 -0.84 1.25 2.86 -1.44 -2.10 114.93 115.09 3i04 h MET 105 Ca 0.18 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 58.04 3i04 h MET 105 Cb 0.00 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 31.58 3i04 h MET 105 CO -0.03 -0.17 0.03 0.82 1.06 0.00 0.00 176.91 178.61 3i04 h ILE 106 N -0.27 0.24 -0.49 -1.22 2.04 -0.93 -2.26 117.51 114.62 3i04 h ILE 106 Ca -0.01 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3i04 h ILE 106 Cb 0.24 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3i04 h ILE 106 CO -0.00 0.02 0.12 -0.07 0.00 0.00 0.00 178.15 178.22 3i04 h LEU 107 N 0.09 0.74 -1.07 1.44 3.38 -0.12 -1.65 115.31 118.12 3i04 h LEU 107 Ca 0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3i04 h LEU 107 Cb 0.89 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3i04 h LEU 107 CO -0.74 0.78 0.06 0.71 0.09 0.00 0.00 178.44 179.33 3i04 h THR 108 N 0.67 1.22 -0.17 0.22 1.35 -0.98 -0.14 112.91 115.08 3i04 h THR 108 Ca 0.15 -0.85 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 3i04 h THR 108 Cb 0.32 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 3i04 h THR 108 CO 0.00 0.30 0.01 1.23 -0.25 0.00 0.00 175.52 176.81 3i04 h GLY 109 N 0.93 0.32 0.98 5.82 0.00 -1.15 -1.17 103.07 108.80 3i04 h GLY 109 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3i04 h GLY 109 CO 0.01 0.21 0.28 0.00 0.00 0.00 0.00 176.54 177.04 3i04 h ALA 110 N 0.79 0.63 -0.72 3.60 0.00 -1.20 0.89 119.26 123.25 3i04 h ALA 110 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 110 Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 110 CO 0.01 0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.73 3i04 h ALA 111 N 1.13 1.25 -0.10 0.00 0.00 -1.01 0.32 119.26 120.84 3i04 h ALA 111 Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 111 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i04 h ALA 111 CO -0.03 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 3i04 h ALA 112 N 1.36 0.16 -0.80 0.00 0.00 -0.81 -0.39 119.26 118.77 3i04 h ALA 112 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3i04 h ALA 112 Cb 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 112 CO -0.03 0.06 0.51 0.45 0.00 0.00 0.00 179.25 180.24 3i04 h HIS 113 N -0.15 0.96 -0.45 0.00 3.86 -0.78 -2.48 115.15 116.11 3i04 h HIS 113 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3i04 h HIS 113 Cb 0.73 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3i04 h HIS 113 CO 0.10 0.55 0.12 0.00 0.86 0.00 0.00 177.93 179.56 3i04 h GLU 115 N 0.59 0.35 -0.24 0.00 4.22 -0.99 0.36 114.58 118.88 3i04 h GLU 115 Ca 0.14 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.62 3i04 h GLU 115 Cb 0.31 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 3i04 h GLU 115 CO -0.00 0.23 -0.26 1.25 -2.18 0.00 0.00 179.01 178.05 3i04 h HIS 116 N 0.36 -0.70 -0.32 0.92 2.76 -1.22 0.12 115.15 117.07 3i04 h HIS 116 Ca 0.13 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 3i04 h HIS 116 Cb 0.02 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3i04 h HIS 116 CO -0.09 -0.34 -0.40 0.78 -1.30 0.00 0.00 177.93 176.59 3i04 h GLY 117 N -0.27 0.85 1.07 5.26 0.00 -1.06 -2.03 103.07 106.90 3i04 h GLY 117 Ca 0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 3i04 h GLY 117 CO -0.40 0.79 0.38 -0.57 0.00 0.00 0.00 176.54 176.74 3i04 h ASN 118 N 0.64 1.09 -0.36 0.19 -0.00 -0.71 0.55 115.58 116.97 3i04 h ASN 118 Ca 0.05 -0.14 -0.08 0.00 -0.00 0.00 0.00 56.30 56.14 3i04 h ASN 118 Cb 0.96 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 3i04 h ASN 118 CO 0.09 0.93 -0.07 -0.74 -0.00 0.00 0.00 177.43 177.63 3i04 h HIS 119 N 1.18 0.77 -0.49 0.67 2.76 -0.44 -0.09 115.15 119.52 3i04 h HIS 119 Ca 0.28 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 3i04 h HIS 119 Cb 0.14 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3i04 h HIS 119 CO 0.02 0.83 -0.18 0.82 -1.30 0.00 0.00 177.93 178.12 3i04 h ILE 120 N 0.49 1.27 -0.57 6.26 2.04 -1.29 -0.55 117.51 125.16 3i04 h ILE 120 Ca 0.09 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3i04 h ILE 120 Cb 0.57 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3i04 h ILE 120 CO 0.03 0.46 0.31 0.00 0.00 0.00 0.00 178.15 178.96 3i04 h ALA 121 N 0.94 0.73 -0.31 1.87 0.00 -0.73 -0.13 119.26 121.63 3i04 h ALA 121 Ca 0.12 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 121 Cb 0.74 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3i04 h ALA 121 CO 0.06 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.77 3i04 h HIS 122 N 0.77 -0.08 -0.64 0.00 -0.00 -0.82 -2.80 115.15 111.58 3i04 h HIS 122 Ca 0.20 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 3i04 h HIS 122 Cb 0.04 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3i04 h HIS 122 CO -0.01 -0.09 0.24 0.00 -0.00 0.00 0.00 177.93 178.07 3i04 h ALA 123 N 1.29 1.22 -0.53 5.26 0.00 -0.63 -1.98 119.26 123.88 3i04 h ALA 123 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 123 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i04 h ALA 123 CO -0.28 0.57 0.34 1.25 0.00 0.00 0.00 179.25 181.13 3i04 h LEU 124 N 0.92 0.58 -0.41 0.00 5.85 -0.98 -0.65 115.31 120.63 3i04 h LEU 124 Ca 0.21 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3i04 h LEU 124 Cb 0.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3i04 h LEU 124 CO -0.02 0.41 0.04 0.58 -0.34 0.00 0.00 178.44 179.12 3i04 h VAL 125 N 0.69 1.25 -0.17 1.05 2.07 -1.31 -2.13 116.25 117.71 3i04 h VAL 125 Ca 0.20 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3i04 h VAL 125 Cb -0.05 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3i04 h VAL 125 CO -0.06 0.32 -0.07 -0.08 0.02 0.00 0.00 177.57 177.70 3i04 h GLU 126 N 0.54 -0.04 -0.40 1.57 4.81 -1.11 -1.59 114.58 118.35 3i04 h GLU 126 Ca 0.12 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3i04 h GLU 126 Cb 0.42 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 3i04 h GLU 126 CO 0.01 -0.03 -0.23 1.98 -0.73 0.00 0.00 179.01 180.02 3i04 h MET 127 N -0.04 -0.15 0.00 1.92 4.05 -1.08 -1.28 114.93 118.35 3i04 h MET 127 Ca 0.09 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3i04 h MET 127 Cb 0.17 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3i04 h MET 127 CO -0.19 -0.10 -0.11 0.00 0.23 0.00 0.00 176.91 176.74 3i04 h ALA 128 N 1.06 1.15 -0.01 0.39 0.00 -1.06 -1.54 119.26 119.25 3i04 h ALA 128 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 128 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 128 CO -0.50 0.13 -0.23 0.39 0.00 0.00 0.00 179.25 179.04 3i04 n GLU 129 N -3.43 1.22 -0.12 0.00 1.02 -0.63 -4.81 120.64 113.89 3i04 n GLU 129 Ca -0.01 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 3i04 n GLU 129 Cb 0.27 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3i04 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 130 N 1.33 0.93 0.12 0.62 0.00 -0.58 -4.97 105.19 102.64 3i04 n GLY 130 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3i04 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i04 n LYS 131 N -2.12 -0.24 -3.25 1.61 5.02 -0.53 -4.71 118.16 113.93 3i04 n LYS 131 Ca 0.00 -0.66 -0.25 0.00 -2.02 0.00 0.00 58.31 55.38 3i04 n LYS 131 Cb 0.00 -1.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 3i04 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i04 n ALA 132 N 0.12 2.60 0.09 7.82 0.00 -1.24 -4.25 120.51 125.67 3i04 n ALA 132 Ca 0.02 -3.41 0.05 0.00 0.00 0.00 0.00 53.44 50.10 3i04 n ALA 132 Cb 0.08 -0.80 0.29 0.00 0.00 0.00 0.00 19.45 19.01 3i04 n ALA 132 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i04 n PRO 133 N 1.70 0.07 -0.04 0.00 -0.02 -1.26 -2.07 135.00 133.37 3i04 n PRO 133 Ca 0.23 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 3i04 n PRO 133 Cb 0.51 -1.83 0.45 0.00 -0.02 0.00 0.00 33.50 32.61 3i04 n PRO 133 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i04 n ASP 134 N -1.86 1.58 -4.45 2.55 8.00 -1.26 -4.85 116.55 116.26 3i04 n ASP 134 Ca -0.01 -1.61 -0.23 0.00 0.71 0.00 0.00 54.79 53.66 3i04 n ASP 134 Cb 0.12 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 3i04 n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i04 s TYR 135 N -1.89 2.13 0.27 1.24 1.51 -0.88 -5.01 117.35 114.73 3i04 s TYR 135 Ca 0.35 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.71 3i04 s TYR 135 Cb 0.19 -1.07 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3i04 s TYR 135 CO 0.30 0.52 0.82 -1.54 -1.11 0.00 0.00 175.55 174.54 3i04 s SER 136 N -3.48 -0.14 -0.69 2.29 1.04 -1.26 -5.00 113.70 106.47 3i04 s SER 136 Ca 0.29 -0.73 -0.27 0.00 0.48 0.00 0.00 55.95 55.71 3i04 s SER 136 Cb -0.00 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3i04 s SER 136 CO 0.13 -1.32 1.26 -0.69 0.98 0.00 0.00 173.24 173.60 3i04 s VAL 137 N -3.14 3.81 -1.24 5.02 1.01 -1.26 -4.33 120.40 120.26 3i04 s VAL 137 Ca 0.14 0.57 0.28 0.00 0.00 0.00 0.00 61.98 62.97 3i04 s VAL 137 Cb -0.04 -4.84 0.26 0.00 0.00 0.00 0.00 36.38 31.75 3i04 s VAL 137 CO 0.07 -1.68 1.77 0.29 0.00 0.00 0.00 175.10 175.55 3i04 n LYS 138 N 9.07 0.26 -3.41 2.72 5.02 -0.53 -4.57 118.16 126.72 3i04 n LYS 138 Ca 0.05 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 3i04 n LYS 138 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 3i04 n LYS 138 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i04 s ASP 139 N -2.80 2.11 0.41 4.39 3.68 -0.94 -4.59 116.67 118.94 3i04 s ASP 139 Ca 0.19 -2.33 0.11 0.00 2.13 0.00 0.00 52.55 52.65 3i04 s ASP 139 Cb 0.19 -0.19 0.87 0.00 -1.45 0.00 0.00 42.92 42.34 3i04 s ASP 139 CO 0.55 -0.25 1.95 -0.33 0.13 0.00 0.00 175.17 177.22 3i04 h GLU 140 N 6.57 0.16 -0.22 4.34 5.08 -1.85 -2.37 114.58 126.29 3i04 h GLU 140 Ca 0.12 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3i04 h GLU 140 Cb 0.97 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3i04 h GLU 140 CO 0.27 0.30 -0.02 0.00 -1.00 0.00 0.00 179.01 178.57 3i04 h ALA 141 N 1.71 0.29 -0.34 3.43 0.00 -1.99 -1.35 119.26 121.02 3i04 h ALA 141 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3i04 h ALA 141 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3i04 h ALA 141 CO 0.02 0.04 0.07 -0.22 0.00 0.00 0.00 179.25 179.16 3i04 h LYS 142 N 0.14 0.19 -0.49 0.00 1.63 -1.92 -1.24 116.57 114.89 3i04 h LYS 142 Ca 0.06 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.94 3i04 h LYS 142 Cb 0.43 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 3i04 h LYS 142 CO 0.01 0.12 0.03 1.25 -3.45 0.00 0.00 179.45 177.42 3i04 h LEU 143 N 0.19 -0.14 -0.85 5.20 5.85 -1.23 0.15 115.31 124.49 3i04 h LEU 143 Ca 0.16 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 3i04 h LEU 143 Cb 0.17 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3i04 h LEU 143 CO -0.21 -0.04 -0.48 0.11 -0.34 0.00 0.00 178.44 177.49 3i04 h LYS 144 N 0.15 0.23 -0.14 1.25 1.57 -0.93 -0.18 116.57 118.52 3i04 h LYS 144 Ca 0.25 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3i04 h LYS 144 Cb 0.36 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3i04 h LYS 144 CO -0.38 0.66 -0.18 1.49 -0.57 0.00 0.00 179.45 180.48 3i04 h GLU 145 N 0.19 0.37 -0.37 3.15 4.57 -0.56 -0.63 114.58 121.30 3i04 h GLU 145 Ca 0.01 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3i04 h GLU 145 Cb 0.91 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 3i04 h GLU 145 CO 0.07 0.78 0.24 0.28 -1.18 0.00 0.00 179.01 179.20 3i04 h VAL 146 N -0.01 1.11 -0.57 0.32 2.07 -0.87 -0.05 116.25 118.24 3i04 h VAL 146 Ca 0.02 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3i04 h VAL 146 Cb 0.73 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3i04 h VAL 146 CO 0.04 0.11 0.27 0.00 0.02 0.00 0.00 177.57 178.02 3i04 h ARG 148 N 0.51 0.84 -0.70 0.00 3.08 -0.82 0.25 114.38 117.54 3i04 h ARG 148 Ca 0.27 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3i04 h ARG 148 Cb 0.22 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3i04 h ARG 148 CO -0.21 0.69 0.45 -0.09 -1.07 0.00 0.00 179.97 179.75 3i04 h ARG 149 N 0.79 0.93 -0.46 0.04 2.43 -0.30 -1.94 114.38 115.87 3i04 h ARG 149 Ca 0.20 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3i04 h ARG 149 Cb 0.14 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3i04 h ARG 149 CO -0.02 0.62 0.00 1.33 -1.51 0.00 0.00 179.97 180.39 3i04 n VAL 150 N -4.42 0.61 -0.77 0.20 0.24 -0.88 -4.91 118.33 108.41 3i04 n VAL 150 Ca 0.07 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3i04 n VAL 150 Cb 0.04 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 3i04 n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i04 n GLY 151 N 1.27 0.58 3.70 7.63 0.00 -0.73 -5.03 105.19 112.61 3i04 n GLY 151 Ca 0.16 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3i04 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 152 N -2.00 4.83 -0.12 -0.61 1.01 0.84 -5.00 121.20 120.15 3i04 s ILE 152 Ca 0.00 2.05 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 3i04 s ILE 152 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3i04 s ILE 152 CO 0.00 0.09 1.29 -0.70 0.00 0.00 0.00 174.94 175.62 3i04 s GLU 153 N 1.44 4.26 0.12 2.79 2.56 -1.26 -4.03 118.70 124.57 3i04 s GLU 153 Ca 0.50 1.72 0.21 0.00 0.00 0.00 0.00 54.97 57.41 3i04 s GLU 153 Cb -0.20 -3.73 -0.10 0.00 2.00 0.00 0.00 34.13 32.10 3i04 s GLU 153 CO 0.24 -0.66 0.85 0.28 -0.56 0.00 0.00 175.26 175.41 3i04 n VAL 154 N 5.18 0.63 -2.23 3.70 0.31 -1.26 -4.90 118.33 119.77 3i04 n VAL 154 Ca 0.13 -0.58 -0.42 0.00 -0.01 0.00 0.00 64.34 63.47 3i04 n VAL 154 Cb 0.45 -0.35 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 3i04 n VAL 154 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i04 s GLU 155 N -3.28 4.36 0.00 5.55 0.41 -1.26 -2.93 118.70 121.55 3i04 s GLU 155 Ca -0.03 2.02 0.00 0.00 -0.41 0.00 0.00 54.97 56.55 3i04 s GLU 155 Cb 0.10 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3i04 s GLU 155 CO 0.82 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 3i04 n GLY 156 N 3.09 0.69 3.48 -1.39 0.00 -1.26 -5.05 105.19 104.75 3i04 n GLY 156 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3i04 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i04 s LYS 157 N -0.17 1.94 0.90 1.61 1.02 -1.15 -5.13 119.74 118.76 3i04 s LYS 157 Ca 0.00 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3i04 s LYS 157 Cb 0.00 -2.16 0.13 0.00 -0.52 0.00 0.00 37.83 35.28 3i04 s LYS 157 CO 0.00 0.51 1.12 -1.54 -0.92 0.00 0.00 175.35 174.52 3i04 s SER 158 N -1.83 3.60 0.39 2.83 1.04 -1.26 -4.88 113.70 113.58 3i04 s SER 158 Ca 0.17 1.08 0.11 0.00 0.48 0.00 0.00 55.95 57.78 3i04 s SER 158 Cb -0.11 -1.70 0.79 0.00 0.10 0.00 0.00 66.02 65.10 3i04 s SER 158 CO 0.08 -2.51 1.90 0.58 0.98 0.00 0.00 173.24 174.27 3i04 h VAL 159 N -1.47 1.19 0.08 5.02 2.07 -2.00 -2.28 116.25 118.87 3i04 h VAL 159 Ca -0.50 -0.88 -0.26 0.00 0.82 0.00 0.00 66.70 65.87 3i04 h VAL 159 Cb 1.32 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3i04 h VAL 159 CO 0.61 0.27 -1.14 -0.07 0.02 0.00 0.00 177.57 177.26 3i04 h LEU 160 N 0.15 0.58 -0.73 2.57 3.38 -1.93 -2.08 115.31 117.25 3i04 h LEU 160 Ca 0.03 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3i04 h LEU 160 Cb 0.44 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i04 h LEU 160 CO 0.03 1.37 0.45 -0.33 0.09 0.00 0.00 178.44 180.06 3i04 h GLU 161 N 0.18 0.99 -0.42 1.13 5.08 -1.84 -1.38 114.58 118.33 3i04 h GLU 161 Ca -0.13 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3i04 h GLU 161 Cb 1.81 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 3i04 h GLU 161 CO 0.20 0.69 0.20 -0.07 -1.00 0.00 0.00 179.01 179.03 3i04 h LEU 162 N 1.00 0.56 -0.79 1.33 3.38 -1.37 -1.77 115.31 117.65 3i04 h LEU 162 Ca 0.26 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3i04 h LEU 162 Cb -0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3i04 h LEU 162 CO -0.05 0.53 0.17 0.00 0.09 0.00 0.00 178.44 179.18 3i04 h ALA 163 N 1.04 1.01 -0.06 1.53 0.00 -1.26 0.48 119.26 122.01 3i04 h ALA 163 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i04 h ALA 163 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 163 CO -0.02 0.65 0.02 0.37 0.00 0.00 0.00 179.25 180.27 3i04 h GLN 164 N 1.03 0.08 -0.45 0.00 4.15 -1.18 -1.82 115.11 116.91 3i04 h GLN 164 Ca 0.22 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 3i04 h GLN 164 Cb 0.35 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3i04 h GLN 164 CO 0.00 0.20 0.14 1.49 -1.93 0.00 0.00 178.83 178.73 3i04 h GLU 165 N -0.05 0.70 -0.17 1.69 4.81 -1.14 -0.26 114.58 120.16 3i04 h GLU 165 Ca 0.02 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 3i04 h GLU 165 Cb 0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3i04 h GLU 165 CO -0.00 0.68 -0.53 -0.24 -0.73 0.00 0.00 179.01 178.18 3i04 h VAL 166 N 0.59 1.33 -0.13 0.32 3.04 -0.95 -1.74 116.25 118.70 3i04 h VAL 166 Ca 0.14 -1.78 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3i04 h VAL 166 Cb 0.27 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 3i04 h VAL 166 CO -0.00 0.55 0.08 1.23 -1.01 0.00 0.00 177.57 178.41 3i04 h GLY 167 N 1.14 0.19 1.51 3.17 0.00 -1.14 -2.09 103.07 105.85 3i04 h GLY 167 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3i04 h GLY 167 CO 0.10 0.07 0.03 0.83 0.00 0.00 0.00 176.54 177.57 3i04 h GLU 168 N 0.15 0.61 -0.69 4.80 5.08 -0.96 -1.99 114.58 121.58 3i04 h GLU 168 Ca 0.05 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3i04 h GLU 168 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3i04 h GLU 168 CO -0.01 0.62 0.16 -0.22 -1.00 0.00 0.00 179.01 178.56 3i04 h LYS 169 N 0.59 1.10 -0.16 2.33 1.63 -1.07 -1.68 116.57 119.31 3i04 h LYS 169 Ca 0.13 -0.26 -0.04 0.00 -0.85 0.00 0.00 60.65 59.62 3i04 h LYS 169 Cb 0.33 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3i04 h LYS 169 CO 0.01 0.97 -0.07 0.00 -3.45 0.00 0.00 179.45 176.91 3i04 h ALA 170 N 1.13 0.23 -0.86 5.00 0.00 -1.10 -2.85 119.26 120.80 3i04 h ALA 170 Ca 0.22 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 170 Cb 0.37 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3i04 h ALA 170 CO 0.00 0.03 0.58 -0.07 0.00 0.00 0.00 179.25 179.79 3i04 h LEU 171 N 0.01 0.32 -1.50 0.00 3.38 -1.22 0.31 115.31 116.61 3i04 h LEU 171 Ca 0.04 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3i04 h LEU 171 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3i04 h LEU 171 CO 0.02 0.13 0.37 -0.33 0.09 0.00 0.00 178.44 178.72 3i04 h GLU 172 N 0.32 0.64 0.00 1.13 5.08 -1.07 -1.99 114.58 118.69 3i04 h GLU 172 Ca 0.44 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.68 3i04 h GLU 172 Cb 1.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3i04 h GLU 172 CO -0.13 0.42 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.47 3i04 h ASP 173 N 0.66 0.00 0.77 1.42 5.19 -0.35 -2.18 116.42 121.93 3i04 h ASP 173 Ca 0.22 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.43 3i04 h ASP 173 Cb 0.07 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3i04 h ASP 173 CO -0.06 0.39 -0.94 -0.26 -3.12 0.00 0.00 179.24 175.25 3i04 h PHE 174 N 0.00 0.16 0.00 4.55 -1.00 -1.19 0.19 116.94 119.65 3i04 h PHE 174 Ca -0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3i04 h PHE 174 Cb 0.78 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3i04 h PHE 174 CO 0.00 0.98 -0.98 0.54 -1.61 0.00 0.00 178.31 177.23 3i04 n ARG 175 N -3.53 0.48 -2.05 1.51 1.74 -0.94 -3.41 116.66 110.45 3i04 n ARG 175 Ca -0.02 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 3i04 n ARG 175 Cb 0.86 -1.73 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3i04 n ARG 175 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i04 s ARG 176 N -3.30 4.30 0.39 5.56 3.52 -0.84 -4.92 118.95 123.67 3i04 s ARG 176 Ca 0.01 2.28 0.04 0.00 -0.13 0.00 0.00 55.73 57.94 3i04 s ARG 176 Cb 0.12 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3i04 s ARG 176 CO 0.78 -0.29 0.56 -0.51 -0.81 0.00 0.00 175.30 175.04 3i04 s LEU 177 N -1.48 3.80 0.20 -0.88 1.43 -1.26 -2.59 118.68 117.90 3i04 s LEU 177 Ca 0.52 -0.03 -0.32 0.00 -1.03 0.00 0.00 54.13 53.27 3i04 s LEU 177 Cb -0.41 -2.89 -0.15 0.00 0.03 0.00 0.00 46.19 42.77 3i04 s LEU 177 CO 0.52 -0.58 1.30 1.17 0.23 0.00 0.00 176.35 178.98 3i04 n LYS 178 N -1.84 1.62 -0.92 1.70 4.81 -1.26 -1.28 118.16 120.98 3i04 n LYS 178 Ca 0.01 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3i04 n LYS 178 Cb 0.58 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.47 3i04 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i04 n GLY 179 N 2.14 0.43 0.50 3.14 0.00 -1.26 -4.91 105.19 105.23 3i04 n GLY 179 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3i04 n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 180 N -1.67 1.49 -0.39 1.61 1.02 -0.41 -5.07 120.64 117.22 3i04 n GLU 180 Ca 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3i04 n GLU 180 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3i04 n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 181 N 1.28 0.78 3.29 0.62 0.00 -1.26 -4.95 105.19 104.94 3i04 n GLY 181 Ca 0.15 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3i04 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 182 N -2.00 1.45 -0.06 1.61 2.02 -1.26 -4.19 118.70 116.26 3i04 s GLU 182 Ca 0.00 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 3i04 s GLU 182 Cb 0.00 -1.63 -0.06 0.00 0.10 0.00 0.00 34.13 32.54 3i04 s GLU 182 CO 0.00 0.41 1.68 0.00 0.02 0.00 0.00 175.26 177.37 3i04 s ALA 183 N -0.88 3.57 0.13 5.21 0.00 -0.12 -4.92 121.76 124.75 3i04 s ALA 183 Ca 0.09 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 3i04 s ALA 183 Cb -0.09 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 3i04 s ALA 183 CO 0.03 -1.48 1.66 1.15 0.00 0.00 0.00 175.76 177.12 3i04 h THR 184 N 5.66 0.56 0.00 0.00 2.02 -1.91 -1.97 112.91 117.26 3i04 h THR 184 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3i04 h THR 184 Cb 1.18 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3i04 h THR 184 CO 0.96 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.64 3i04 n TRP 185 N -5.31 0.79 -0.07 3.16 8.01 -1.26 -1.23 117.44 121.53 3i04 n TRP 185 Ca -0.03 0.35 -0.08 0.00 -1.31 0.00 0.00 57.50 56.43 3i04 n TRP 185 Cb 0.23 -1.06 -0.06 0.00 -2.01 0.00 0.00 31.31 28.41 3i04 n TRP 185 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3i04 h LEU 186 N 0.00 0.00 -0.99 -0.99 5.85 -1.77 -3.35 115.31 114.07 3i04 h LEU 186 Ca 0.00 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 3i04 h LEU 186 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3i04 h LEU 186 CO 0.00 0.82 -0.30 0.24 -0.34 0.00 0.00 178.44 178.86 3i04 h MET 187 N -1.00 0.00 -0.04 1.25 2.86 -0.82 -1.94 114.93 115.25 3i04 h MET 187 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3i04 h MET 187 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3i04 h MET 187 CO -0.02 0.30 0.00 0.25 1.06 0.00 0.00 176.91 178.49 3i04 n THR 188 N -3.45 0.03 0.06 2.22 -2.24 -0.36 -3.97 114.28 106.57 3i04 n THR 188 Ca 0.00 -0.27 0.02 0.00 -2.27 0.00 0.00 64.05 61.53 3i04 n THR 188 Cb 0.47 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 3i04 n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i04 n THR 189 N 0.20 0.37 -4.40 4.28 -2.24 -0.74 -4.94 114.28 106.81 3i04 n THR 189 Ca 0.19 -0.69 -0.21 0.00 -2.27 0.00 0.00 64.05 61.07 3i04 n THR 189 Cb 0.35 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 3i04 n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3i04 s ILE 190 N -0.53 2.05 0.88 2.28 -4.36 -1.17 -4.86 121.20 115.49 3i04 s ILE 190 Ca 0.05 -2.29 -0.12 0.00 -0.26 0.00 0.00 60.65 58.03 3i04 s ILE 190 Cb 0.03 -2.18 0.12 0.00 1.25 0.00 0.00 42.46 41.68 3i04 s ILE 190 CO 0.04 -0.50 1.10 0.54 0.24 0.00 0.00 174.94 176.36 3i04 s ASN 191 N -3.41 3.71 0.19 4.36 4.22 -1.26 -4.84 114.94 117.92 3i04 s ASN 191 Ca 0.26 1.32 -0.11 0.00 -2.14 0.00 0.00 52.86 52.18 3i04 s ASN 191 Cb -0.02 -2.00 0.21 0.00 1.28 0.00 0.00 41.25 40.72 3i04 s ASN 191 CO 0.11 -2.47 1.75 -0.33 -2.04 0.00 0.00 177.10 174.12 3i04 h GLU 192 N -1.43 0.38 -0.30 3.55 4.39 -1.98 -1.81 114.58 117.37 3i04 h GLU 192 Ca -0.49 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.25 3i04 h GLU 192 Cb 1.29 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 3i04 h GLU 192 CO 0.57 0.25 -0.16 0.78 -1.16 0.00 0.00 179.01 179.29 3i04 h GLY 193 N 0.39 0.06 0.98 -3.84 0.00 -1.94 -0.33 103.07 98.39 3i04 h GLY 193 Ca 0.27 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 3i04 h GLY 193 CO -0.26 -0.17 0.23 3.21 0.00 0.00 0.00 176.54 179.54 3i04 h ARG 194 N -0.13 0.79 -0.58 4.80 2.47 -1.88 -2.16 114.38 117.70 3i04 h ARG 194 Ca 0.16 -0.14 0.09 0.00 -1.26 0.00 0.00 59.98 58.83 3i04 h ARG 194 Cb 0.36 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 3i04 h ARG 194 CO -0.38 0.68 0.20 0.87 0.56 0.00 0.00 179.97 181.90 3i04 h LYS 195 N 0.72 0.35 -0.33 0.04 1.57 -0.81 -1.02 116.57 117.10 3i04 h LYS 195 Ca 0.18 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3i04 h LYS 195 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3i04 h LYS 195 CO -0.02 0.23 0.07 1.49 -0.57 0.00 0.00 179.45 180.66 3i04 h GLU 196 N 0.36 0.54 -0.15 3.15 4.22 -0.95 -1.72 114.58 120.03 3i04 h GLU 196 Ca 0.29 -0.13 0.05 0.00 0.08 0.00 0.00 59.36 59.65 3i04 h GLU 196 Cb 0.37 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3i04 h GLU 196 CO -0.31 0.60 -0.25 -0.22 -2.18 0.00 0.00 179.01 176.65 3i04 h LYS 197 N 0.38 -0.29 -0.09 1.92 1.63 -1.17 -1.80 116.57 117.14 3i04 h LYS 197 Ca 0.10 0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 3i04 h LYS 197 Cb 0.31 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 3i04 h LYS 197 CO 0.00 -0.20 -0.56 0.74 -3.45 0.00 0.00 179.45 175.99 3i04 h PHE 198 N -0.31 0.35 -0.07 1.91 0.05 -1.08 -1.40 116.94 116.40 3i04 h PHE 198 Ca 0.11 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 3i04 h PHE 198 Cb 0.47 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.35 3i04 h PHE 198 CO -0.36 0.77 -0.05 0.00 -0.18 0.00 0.00 178.31 178.49 3i04 h ARG 199 N 0.21 0.15 -0.04 1.51 3.08 -1.18 -0.69 114.38 117.43 3i04 h ARG 199 Ca 0.00 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3i04 h ARG 199 Cb 1.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3i04 h ARG 199 CO 0.09 0.56 -0.27 1.79 -1.07 0.00 0.00 179.97 181.07 3i04 h THR 200 N -0.26 1.21 -0.02 2.04 1.35 -1.27 -2.64 112.91 113.33 3i04 h THR 200 Ca 0.01 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3i04 h THR 200 Cb 0.53 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3i04 h THR 200 CO 0.01 0.29 -0.03 1.41 -0.25 0.00 0.00 175.52 176.95 3i04 n HIS 201 N -4.19 0.00 -3.75 4.73 8.25 -0.53 -4.98 115.22 114.75 3i04 n HIS 201 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 3i04 n HIS 201 Cb 0.34 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.48 3i04 n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i04 n ASN 202 N 0.49 -3.68 -0.27 0.41 5.15 -0.39 -4.93 115.26 112.03 3i04 n ASN 202 Ca 0.17 -0.73 0.04 0.00 -0.60 0.00 0.00 54.58 53.45 3i04 n ASN 202 Cb 0.44 -4.26 0.09 0.00 -0.53 0.00 0.00 39.78 35.51 3i04 n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i04 n VAL 203 N -4.56 1.23 -2.25 3.44 0.24 -0.48 -4.97 118.33 110.99 3i04 n VAL 203 Ca -0.10 -1.25 -0.42 0.00 -2.04 0.00 0.00 64.34 60.52 3i04 n VAL 203 Cb 0.59 0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 3i04 n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i04 s VAL 204 N -1.42 3.91 0.34 3.34 1.01 -1.23 -4.25 120.40 122.10 3i04 s VAL 204 Ca 0.15 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 3i04 s VAL 204 Cb 0.10 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3i04 s VAL 204 CO 0.06 -0.06 1.52 -2.84 0.00 0.00 0.00 175.10 173.77 3i04 s PRO 205 N 3.21 4.13 -0.01 2.72 0.02 -1.26 -4.90 135.00 138.91 3i04 s PRO 205 Ca 0.63 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 64.19 3i04 s PRO 205 Cb -0.28 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.24 3i04 s PRO 205 CO 0.23 -0.55 -0.00 0.27 -0.33 0.00 0.00 177.00 176.62 3i04 h PHE 206 N 3.85 0.00 -2.95 6.54 -0.00 -1.90 -0.29 116.94 122.19 3i04 h PHE 206 Ca -0.49 0.00 -0.43 0.00 -0.00 0.00 0.00 57.97 57.05 3i04 h PHE 206 Cb 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.04 3i04 h PHE 206 CO 0.56 0.00 -0.73 0.20 -0.00 0.00 0.00 178.31 178.34 3i04 s GLY 207 N -2.16 1.39 -0.01 6.09 0.00 -1.07 -3.28 107.32 108.29 3i04 s GLY 207 Ca -0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 44.72 42.84 3i04 s GLY 207 CO 0.00 -1.74 1.02 -2.22 0.00 0.00 0.00 173.10 170.17 3i04 h ILE 208 N 2.58 0.41 -0.70 0.90 2.04 -0.75 -1.64 117.51 120.36 3i04 h ILE 208 Ca -0.38 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3i04 h ILE 208 Cb 1.22 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i04 h ILE 208 CO 0.62 0.08 0.31 0.45 0.00 0.00 0.00 178.15 179.62 3i04 h HIS 209 N -0.97 1.03 0.00 1.37 3.86 -1.82 -2.47 115.15 116.15 3i04 h HIS 209 Ca -0.05 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3i04 h HIS 209 Cb 0.54 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i04 h HIS 209 CO 0.02 0.78 -0.21 0.00 0.86 0.00 0.00 177.93 179.38 3i04 h ALA 210 N 1.14 1.58 -0.13 2.45 0.00 -1.78 -1.05 119.26 121.48 3i04 h ALA 210 Ca 0.24 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3i04 h ALA 210 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 210 CO -0.03 0.27 -0.35 0.77 0.00 0.00 0.00 179.25 179.91 3i04 h SER 211 N 0.00 0.53 -0.01 0.00 0.02 -1.07 -1.02 113.55 112.00 3i04 h SER 211 Ca -0.00 -0.59 0.02 0.00 -0.84 0.00 0.00 61.79 60.38 3i04 h SER 211 Cb 0.39 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3i04 h SER 211 CO 0.03 1.03 -0.14 0.40 -1.14 0.00 0.00 176.83 177.01 3i04 h ILE 212 N 0.06 0.65 -0.72 3.27 2.04 -1.33 -2.98 117.51 118.50 3i04 h ILE 212 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3i04 h ILE 212 Cb 0.97 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3i04 h ILE 212 CO 0.08 0.00 0.40 -1.28 0.00 0.00 0.00 178.15 177.35 3i04 h SER 213 N -0.23 0.88 -0.81 1.72 0.87 -1.12 -2.15 113.55 112.70 3i04 h SER 213 Ca 0.05 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3i04 h SER 213 Cb 0.30 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3i04 h SER 213 CO -0.14 0.70 0.50 -0.08 -0.53 0.00 0.00 176.83 177.28 3i04 h GLU 214 N 1.00 1.09 -0.39 2.24 4.57 -1.10 -1.35 114.58 120.64 3i04 h GLU 214 Ca 0.26 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 3i04 h GLU 214 Cb 0.01 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3i04 h GLU 214 CO -0.04 0.76 -0.36 1.25 -1.18 0.00 0.00 179.01 179.43 3i04 h LEU 215 N 1.11 0.99 -0.55 1.64 5.85 -1.29 -1.42 115.31 121.64 3i04 h LEU 215 Ca 0.29 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.65 3i04 h LEU 215 Cb -0.06 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.61 3i04 h LEU 215 CO -0.06 1.24 0.11 0.58 -0.34 0.00 0.00 178.44 179.98 3i04 h VAL 216 N 0.75 0.68 0.16 1.05 2.07 -1.08 -1.79 116.25 118.08 3i04 h VAL 216 Ca 0.06 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i04 h VAL 216 Cb 0.96 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3i04 h VAL 216 CO 0.09 0.05 -0.19 -1.13 0.02 0.00 0.00 177.57 176.41 3i04 h ASN 217 N 0.25 -0.52 -0.01 0.57 -1.24 -1.11 -2.55 115.58 110.97 3i04 h ASN 217 Ca 0.28 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.35 3i04 h ASN 217 Cb 0.40 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 3i04 h ASN 217 CO -0.37 -0.28 0.12 1.56 -1.29 0.00 0.00 177.43 177.18 3i04 h GLN 218 N -0.39 0.00 0.00 6.67 4.20 -0.74 -1.26 115.11 123.58 3i04 h GLN 218 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3i04 h GLN 218 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i04 h GLN 218 CO -0.07 0.00 -0.78 0.00 -0.67 0.00 0.00 178.83 177.31 3i04 n ALA 219 N -2.03 3.22 -1.54 3.87 0.00 -0.72 -2.81 120.51 120.50 3i04 n ALA 219 Ca -0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 3i04 n ALA 219 Cb 0.19 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.60 3i04 n ALA 219 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i04 n HIS 220 N -1.96 0.04 -1.60 0.00 -0.00 -0.48 -4.86 115.22 106.36 3i04 n HIS 220 Ca 0.03 0.45 -0.54 0.00 -0.00 0.00 0.00 57.72 57.66 3i04 n HIS 220 Cb 0.42 -2.05 -0.07 0.00 -0.00 0.00 0.00 29.99 28.30 3i04 n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3i04 n MET 221 N -0.42 0.95 -1.84 1.57 0.00 -1.26 -2.71 117.12 113.41 3i04 n MET 221 Ca 0.12 0.34 -0.06 0.00 -0.00 0.00 0.00 57.70 58.11 3i04 n MET 221 Cb 0.47 -1.97 -0.01 0.00 0.00 0.00 0.00 33.22 31.71 3i04 n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i04 n GLY 222 N 2.66 0.33 0.00 -5.12 0.00 -1.26 -4.99 105.19 96.80 3i04 n GLY 222 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3i04 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i04 n MET 223 N -1.91 0.00 -2.74 1.61 2.00 -1.10 -5.05 117.12 109.92 3i04 n MET 223 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.24 3i04 n MET 223 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.61 3i04 n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3i04 s ASP 224 N -0.40 7.59 -0.05 7.83 3.68 -1.12 -4.93 116.67 129.27 3i04 s ASP 224 Ca 0.00 1.94 0.07 0.00 2.13 0.00 0.00 52.55 56.69 3i04 s ASP 224 Cb 0.00 -2.61 0.10 0.00 -1.45 0.00 0.00 42.92 38.97 3i04 s ASP 224 CO 0.00 0.11 0.97 -3.20 0.13 0.00 0.00 175.17 173.18 3i04 n ASN 225 N 1.33 1.31 -4.56 -0.34 5.15 -1.26 -4.97 115.26 111.92 3i04 n ASN 225 Ca -0.01 -2.22 -0.38 0.00 -0.60 0.00 0.00 54.58 51.37 3i04 n ASN 225 Cb 0.47 -0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 39.41 3i04 n ASN 225 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i04 s ASP 226 N -1.50 5.89 0.22 1.20 -1.08 -1.26 -4.86 116.67 115.28 3i04 s ASP 226 Ca 0.11 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.11 3i04 s ASP 226 Cb 0.10 -2.09 0.20 0.00 -1.46 0.00 0.00 42.92 39.66 3i04 s ASP 226 CO 0.01 -0.06 1.52 1.55 0.52 0.00 0.00 175.17 178.71 3i04 h PRO 227 N 8.36 0.23 -0.04 4.34 0.13 -1.96 0.28 132.00 143.34 3i04 h PRO 227 Ca -0.35 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3i04 h PRO 227 Cb 1.19 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i04 h PRO 227 CO 0.56 0.81 0.00 0.28 -0.23 0.00 0.00 178.00 179.42 3i04 h VAL 228 N 0.17 1.23 -0.65 1.56 2.07 -1.99 0.00 116.25 118.64 3i04 h VAL 228 Ca -0.01 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3i04 h VAL 228 Cb 1.18 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 3i04 h VAL 228 CO 0.10 0.18 0.35 -1.13 0.02 0.00 0.00 177.57 177.10 3i04 h ASN 229 N -0.21 0.52 -0.49 0.57 -1.24 -1.97 -0.10 115.58 112.67 3i04 h ASN 229 Ca 0.01 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 3i04 h ASN 229 Cb 0.29 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3i04 h ASN 229 CO 0.00 0.33 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.27 3i04 h LEU 230 N 0.65 0.96 -0.48 0.34 3.38 -0.87 -2.13 115.31 117.17 3i04 h LEU 230 Ca 0.29 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3i04 h LEU 230 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i04 h LEU 230 CO -0.19 1.11 0.15 0.58 0.09 0.00 0.00 178.44 180.18 3i04 h VAL 231 N 0.81 1.23 -0.83 1.22 2.07 -0.54 -1.77 116.25 118.43 3i04 h VAL 231 Ca 0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3i04 h VAL 231 Cb 0.70 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3i04 h VAL 231 CO 0.05 0.28 0.45 -0.26 0.02 0.00 0.00 177.57 178.11 3i04 h PHE 232 N 0.65 1.15 -0.77 1.57 -1.00 -1.01 -0.43 116.94 117.09 3i04 h PHE 232 Ca 0.15 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.94 3i04 h PHE 232 Cb 0.28 -0.37 -0.05 0.00 3.61 0.00 0.00 35.95 39.42 3i04 h PHE 232 CO 0.01 0.80 0.49 1.03 -1.61 0.00 0.00 178.31 179.04 3i04 h SER 233 N 1.16 0.80 -0.60 2.17 0.87 -1.23 -0.50 113.55 116.23 3i04 h SER 233 Ca 0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3i04 h SER 233 Cb 0.04 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3i04 h SER 233 CO -0.05 0.55 0.33 0.00 -0.53 0.00 0.00 176.83 177.13 3i04 h ALA 234 N 1.33 1.42 -0.50 6.23 0.00 -0.40 -1.31 119.26 126.03 3i04 h ALA 234 Ca 0.31 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 234 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3i04 h ALA 234 CO -0.12 0.47 -0.14 0.82 0.00 0.00 0.00 179.25 180.28 3i04 h ILE 235 N 0.86 1.27 -0.38 0.00 2.04 -0.66 -1.07 117.51 119.56 3i04 h ILE 235 Ca 0.22 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3i04 h ILE 235 Cb 0.03 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3i04 h ILE 235 CO -0.03 0.44 0.18 -0.09 0.00 0.00 0.00 178.15 178.65 3i04 h ARG 236 N 0.84 0.56 -0.92 2.37 2.43 -0.83 0.13 114.38 118.95 3i04 h ARG 236 Ca 0.13 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3i04 h ARG 236 Cb 0.69 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3i04 h ARG 236 CO 0.05 0.50 0.60 0.28 -1.51 0.00 0.00 179.97 179.89 3i04 h VAL 237 N 0.48 1.17 -0.70 0.20 2.07 -1.12 -0.93 116.25 117.41 3i04 h VAL 237 Ca 0.13 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3i04 h VAL 237 Cb 0.14 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 3i04 h VAL 237 CO -0.01 0.21 0.21 0.00 0.02 0.00 0.00 177.57 178.00 3i04 h ALA 238 N 1.37 1.06 -0.02 1.67 0.00 -0.76 0.15 119.26 122.73 3i04 h ALA 238 Ca 0.36 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 238 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i04 h ALA 238 CO -0.11 0.64 -0.52 -0.07 0.00 0.00 0.00 179.25 179.18 3i04 h LEU 239 N 1.04 0.05 -0.48 0.00 3.38 -0.62 -0.61 115.31 118.07 3i04 h LEU 239 Ca 0.23 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 3i04 h LEU 239 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i04 h LEU 239 CO -0.01 0.57 -0.28 0.00 0.09 0.00 0.00 178.44 178.81 3i04 h ALA 240 N 1.43 0.67 0.23 1.53 0.00 -0.71 -1.57 119.26 120.84 3i04 h ALA 240 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i04 h ALA 240 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3i04 h ALA 240 CO 0.07 0.67 -0.34 0.22 0.00 0.00 0.00 179.25 179.88 3i04 h ASP 241 N 0.81 -0.95 -0.71 0.00 3.58 -0.17 -2.08 116.42 116.91 3i04 h ASP 241 Ca 0.09 0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.79 3i04 h ASP 241 Cb 0.86 0.34 -0.13 0.00 1.72 0.00 0.00 39.33 42.12 3i04 h ASP 241 CO 0.08 -0.45 -0.11 0.22 -2.88 0.00 0.00 179.24 176.09 3i04 h TYR 242 N -0.63 -0.26 -0.30 0.28 3.20 -1.05 -1.47 116.97 116.73 3i04 h TYR 242 Ca 0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.98 3i04 h TYR 242 Cb 0.62 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3i04 h TYR 242 CO -0.25 -0.28 0.06 1.15 -1.64 0.00 0.00 178.16 177.20 3i04 h THR 243 N 0.03 0.85 -0.73 1.81 2.02 -1.09 0.17 112.91 115.97 3i04 h THR 243 Ca 0.36 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.48 3i04 h THR 243 Cb 0.57 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3i04 h THR 243 CO -0.69 0.03 0.48 1.23 0.37 0.00 0.00 175.52 176.94 3i04 h GLY 244 N 0.17 1.03 0.99 2.16 0.00 -0.90 -1.44 103.07 105.08 3i04 h GLY 244 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3i04 h GLY 244 CO -0.19 0.38 0.34 0.83 0.00 0.00 0.00 176.54 177.90 3i04 h GLU 245 N 0.99 0.80 -0.55 4.80 5.08 -0.73 -1.68 114.58 123.30 3i04 h GLU 245 Ca 0.27 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3i04 h GLU 245 Cb -0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3i04 h GLU 245 CO -0.06 0.59 0.10 1.25 -1.00 0.00 0.00 179.01 179.89 3i04 h HIS 246 N 0.79 0.96 -0.35 4.33 2.76 -0.74 -1.26 115.15 121.64 3i04 h HIS 246 Ca 0.21 -0.13 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3i04 h HIS 246 Cb 0.00 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.64 3i04 h HIS 246 CO -0.02 0.84 -0.05 0.82 -1.30 0.00 0.00 177.93 178.23 3i04 h ILE 247 N 0.80 0.69 -0.21 6.26 2.04 -1.17 -1.76 117.51 124.14 3i04 h ILE 247 Ca 0.17 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3i04 h ILE 247 Cb 0.39 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3i04 h ILE 247 CO 0.01 0.01 0.08 0.00 0.00 0.00 0.00 178.15 178.24 3i04 h ALA 248 N 1.33 0.24 0.21 1.87 0.00 -1.00 -0.92 119.26 120.99 3i04 h ALA 248 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3i04 h ALA 248 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i04 h ALA 248 CO -0.33 -0.34 -0.10 1.15 0.00 0.00 0.00 179.25 179.62 3i04 h THR 249 N 0.18 0.83 -0.31 0.00 2.02 -1.18 -0.80 112.91 113.65 3i04 h THR 249 Ca 0.09 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3i04 h THR 249 Cb 0.06 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3i04 h THR 249 CO -0.09 0.04 -0.18 0.44 0.37 0.00 0.00 175.52 176.11 3i04 h ASP 250 N -0.37 -0.59 0.12 4.18 3.32 -1.15 -0.90 116.42 121.02 3i04 h ASP 250 Ca -0.03 0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 3i04 h ASP 250 Cb 0.29 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i04 h ASP 250 CO 0.05 -0.21 -0.66 -0.26 -1.72 0.00 0.00 179.24 176.43 3i04 h PHE 251 N -0.14 0.67 -0.86 4.55 0.04 -1.15 -1.62 116.94 118.43 3i04 h PHE 251 Ca 0.16 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3i04 h PHE 251 Cb 0.39 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 3i04 h PHE 251 CO -0.38 1.03 0.47 0.77 -0.60 0.00 0.00 178.31 179.59 3i04 h SER 252 N 0.36 1.07 -0.40 2.17 0.02 -0.95 -0.36 113.55 115.47 3i04 h SER 252 Ca -0.02 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 3i04 h SER 252 Cb 1.23 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3i04 h SER 252 CO 0.12 0.87 -0.13 0.44 -1.14 0.00 0.00 176.83 176.98 3i04 h ASP 253 N 1.19 0.86 -0.17 3.07 3.32 -0.97 -0.07 116.42 123.66 3i04 h ASP 253 Ca 0.30 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i04 h ASP 253 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3i04 h ASP 253 CO -0.05 1.00 0.06 0.40 -1.72 0.00 0.00 179.24 178.92 3i04 h ILE 254 N 0.77 1.18 -0.30 0.35 2.04 -0.99 0.35 117.51 120.90 3i04 h ILE 254 Ca 0.12 -0.55 -0.17 0.00 1.00 0.00 0.00 64.86 65.26 3i04 h ILE 254 Cb 0.65 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3i04 h ILE 254 CO 0.05 0.17 -0.49 -0.07 0.00 0.00 0.00 178.15 177.80 3i04 h LEU 255 N 0.10 0.92 -1.33 1.44 3.38 -1.08 -1.30 115.31 117.45 3i04 h LEU 255 Ca 0.05 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3i04 h LEU 255 Cb 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i04 h LEU 255 CO -0.00 1.25 0.00 0.49 0.09 0.00 0.00 178.44 180.27 3i04 n PHE 256 N -4.02 0.00 0.00 1.13 3.01 -0.04 -3.53 117.46 114.01 3i04 n PHE 256 Ca -0.03 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3i04 n PHE 256 Cb 0.60 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 3i04 n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i04 n GLY 257 N -0.10 0.96 3.70 1.37 0.00 0.11 -4.96 105.19 106.27 3i04 n GLY 257 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3i04 n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i04 s THR 258 N -1.36 3.35 0.44 2.61 2.01 -1.20 -4.53 115.64 116.96 3i04 s THR 258 Ca 0.00 0.89 -0.24 0.00 0.31 0.00 0.00 61.69 62.65 3i04 s THR 258 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3i04 s THR 258 CO 0.00 0.04 1.07 -2.65 -0.69 0.00 0.00 174.62 172.38 3i04 n PRO 259 N 4.64 1.43 -4.20 4.92 -0.02 -1.26 -5.03 135.00 135.47 3i04 n PRO 259 Ca 0.13 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 3i04 n PRO 259 Cb 0.42 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 3i04 n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i04 s GLN 260 N -2.15 0.91 0.21 -0.52 -1.52 -1.17 -4.07 119.66 111.35 3i04 s GLN 260 Ca 0.64 -1.11 -0.31 0.00 -1.95 0.00 0.00 55.36 52.64 3i04 s GLN 260 Cb -0.53 -0.82 -0.16 0.00 -0.22 0.00 0.00 33.01 31.29 3i04 s GLN 260 CO 0.56 0.16 0.99 -2.30 -0.25 0.00 0.00 175.29 174.45 3i04 n PRO 261 N 0.85 0.96 -3.76 2.91 -0.02 -1.14 -4.45 135.00 130.35 3i04 n PRO 261 Ca -0.18 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 3i04 n PRO 261 Cb 0.56 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 3i04 n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i04 s VAL 262 N -0.63 0.04 -0.08 -1.45 0.11 -0.63 -4.95 120.40 112.82 3i04 s VAL 262 Ca 0.67 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 3i04 s VAL 262 Cb -0.83 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 3i04 s VAL 262 CO 0.56 -0.20 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.36 3i04 s VAL 263 N -1.01 3.60 0.00 2.04 1.01 -1.26 -2.13 120.40 122.65 3i04 s VAL 263 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3i04 s VAL 263 Cb -0.05 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3i04 s VAL 263 CO 0.04 0.58 0.00 -0.24 0.00 0.00 0.00 175.10 175.47 3i04 n SER 264 N 2.51 0.00 -3.95 3.32 2.88 -0.58 -4.88 113.62 112.92 3i04 n SER 264 Ca -0.18 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.27 3i04 n SER 264 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3i04 n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i04 s GLU 265 N 1.50 1.26 0.01 -1.46 2.02 -1.26 -2.09 118.70 118.68 3i04 s GLU 265 Ca 0.00 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 3i04 s GLU 265 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.66 3i04 s GLU 265 CO 0.00 -0.48 0.31 0.00 0.02 0.00 0.00 175.26 175.11 3i04 s ALA 266 N -3.98 -0.76 0.00 5.21 0.00 -0.77 -2.17 121.76 119.29 3i04 s ALA 266 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3i04 s ALA 266 Cb 0.02 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3i04 s ALA 266 CO 0.02 -0.33 0.00 -1.71 0.00 0.00 0.00 175.76 173.74 3i04 n ASN 267 N 0.95 0.00 0.28 0.00 2.85 0.18 -1.70 115.26 117.81 3i04 n ASN 267 Ca -0.20 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.43 3i04 n ASN 267 Cb 0.58 0.00 0.75 0.00 1.24 0.00 0.00 39.78 42.34 3i04 n ASN 267 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3i04 h MET 268 N 0.00 0.00 0.00 1.20 2.86 -1.30 -2.31 114.93 115.38 3i04 h MET 268 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i04 h MET 268 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3i04 h MET 268 CO 0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 3i04 n GLY 269 N -0.31 -0.25 0.05 8.32 0.00 0.49 -0.98 105.19 112.52 3i04 n GLY 269 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3i04 n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i04 n VAL 270 N -1.08 0.28 -2.42 1.61 0.24 -0.87 -4.81 118.33 111.28 3i04 n VAL 270 Ca 0.04 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.84 3i04 n VAL 270 Cb 0.02 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 3i04 n VAL 270 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i04 s LEU 271 N -3.72 4.01 -0.07 1.34 1.43 -0.15 -5.05 118.68 116.47 3i04 s LEU 271 Ca 0.12 2.12 -0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3i04 s LEU 271 Cb 0.16 -4.31 0.03 0.00 0.03 0.00 0.00 46.19 42.10 3i04 s LEU 271 CO 0.56 -0.76 -0.03 -0.62 0.23 0.00 0.00 176.35 175.74 3i04 s ASP 272 N -1.59 1.51 0.59 2.29 2.15 -1.26 -5.04 116.67 115.33 3i04 s ASP 272 Ca 0.63 -0.14 0.39 0.00 0.43 0.00 0.00 52.55 53.86 3i04 s ASP 272 Cb -0.23 -0.52 1.90 0.00 -0.30 0.00 0.00 42.92 43.77 3i04 s ASP 272 CO 0.29 -0.14 2.17 1.55 -0.17 0.00 0.00 175.17 178.86 3i04 h PRO 273 N 7.97 0.00 -0.58 4.34 0.13 -1.96 -2.69 132.00 139.20 3i04 h PRO 273 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i04 h PRO 273 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3i04 h PRO 273 CO 0.35 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.87 3i04 n ASP 274 N -3.03 3.56 -4.70 1.44 8.00 -1.26 -4.92 116.55 115.65 3i04 n ASP 274 Ca -0.01 -2.00 -0.23 0.00 0.71 0.00 0.00 54.79 53.26 3i04 n ASP 274 Cb 0.17 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 3i04 n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i04 s GLN 275 N -1.00 2.40 -0.49 -1.24 -0.21 -1.02 -0.34 119.66 117.77 3i04 s GLN 275 Ca 0.39 -1.42 -0.28 0.00 0.02 0.00 0.00 55.36 54.08 3i04 s GLN 275 Cb 0.20 -2.21 -0.00 0.00 1.00 0.00 0.00 33.01 32.00 3i04 s GLN 275 CO 0.27 0.29 1.60 0.08 -2.12 0.00 0.00 175.29 175.40 3i04 s VAL 276 N -2.33 3.65 -0.46 1.09 1.01 0.14 -4.85 120.40 118.64 3i04 s VAL 276 Ca 0.34 0.58 -0.27 0.00 0.00 0.00 0.00 61.98 62.63 3i04 s VAL 276 Cb -0.05 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3i04 s VAL 276 CO 0.21 -0.85 1.03 0.20 0.00 0.00 0.00 175.10 175.69 3i04 s ASN 277 N 5.46 6.58 -0.25 3.32 0.01 -1.26 0.25 114.94 129.04 3i04 s ASN 277 Ca 0.64 0.32 0.01 0.00 -0.71 0.00 0.00 52.86 53.12 3i04 s ASN 277 Cb -0.14 -2.50 0.05 0.00 0.41 0.00 0.00 41.25 39.06 3i04 s ASN 277 CO 0.28 -1.14 -0.10 0.12 -1.51 0.00 0.00 177.10 174.75 3i04 s PHE 278 N 4.09 3.15 -0.17 2.20 5.36 -0.89 -1.41 117.98 130.30 3i04 s PHE 278 Ca 0.43 -2.00 -0.18 0.00 -0.96 0.00 0.00 56.93 54.22 3i04 s PHE 278 Cb -0.09 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3i04 s PHE 278 CO 0.29 -0.83 0.48 0.08 -1.46 0.00 0.00 175.22 173.77 3i04 s VAL 279 N 1.20 5.16 -0.33 3.12 1.01 0.52 -1.62 120.40 129.46 3i04 s VAL 279 Ca -0.04 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 3i04 s VAL 279 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3i04 s VAL 279 CO -0.06 0.25 0.42 -0.76 0.00 0.00 0.00 175.10 174.96 3i04 s LEU 280 N 1.16 4.31 0.03 3.92 1.43 0.01 -1.00 118.68 128.54 3i04 s LEU 280 Ca 0.24 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3i04 s LEU 280 Cb -0.15 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 3i04 s LEU 280 CO 0.09 -0.35 -0.09 -2.28 0.23 0.00 0.00 176.35 173.95 3i04 s HIS 281 N 2.16 0.77 0.00 0.29 2.46 -0.97 -1.18 115.29 118.82 3i04 s HIS 281 Ca 0.15 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.34 3i04 s HIS 281 Cb -0.16 -0.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.83 3i04 s HIS 281 CO 0.12 -0.03 0.00 0.41 -2.47 0.00 0.00 174.74 172.77 3i04 n GLY 282 N 2.03 0.15 0.00 1.59 0.00 -1.25 -2.88 105.19 104.82 3i04 n GLY 282 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3i04 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i04 n HIS 283 N 0.00 0.00 -3.38 1.61 8.25 -1.21 -1.40 115.22 119.09 3i04 n HIS 283 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3i04 n HIS 283 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3i04 n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3i04 s ASN 284 N -2.60 6.20 0.00 0.41 3.04 -1.26 -4.06 114.94 116.67 3i04 s ASN 284 Ca 0.00 -0.15 0.14 0.00 0.04 0.00 0.00 52.86 52.89 3i04 s ASN 284 Cb 0.00 -2.21 0.85 0.00 -1.54 0.00 0.00 41.25 38.35 3i04 s ASN 284 CO 0.00 -0.34 1.35 -0.81 -3.04 0.00 0.00 177.10 174.26 3i04 n PRO 285 N 5.42 0.72 0.26 0.43 -0.04 -1.26 -2.03 135.00 138.49 3i04 n PRO 285 Ca -0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 3i04 n PRO 285 Cb 0.49 -1.31 0.72 0.00 -0.04 0.00 0.00 33.50 33.36 3i04 n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i04 h LEU 286 N 0.00 0.00 0.00 1.53 3.38 -1.99 -0.35 115.31 117.88 3i04 h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 286 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i04 h LEU 286 CO 0.00 0.12 -0.43 -0.11 0.09 0.00 0.00 178.44 178.11 3i04 n LEU 287 N -3.57 1.36 -0.14 1.67 7.94 -0.86 -4.37 117.00 119.02 3i04 n LEU 287 Ca -0.02 0.50 -0.02 0.00 -1.11 0.00 0.00 56.01 55.36 3i04 n LEU 287 Cb 0.25 -0.76 0.22 0.00 0.53 0.00 0.00 43.42 43.66 3i04 n LEU 287 CO 0.30 -0.46 1.05 0.77 -1.11 0.00 0.00 177.39 177.94 3i04 h SER 288 N -0.74 0.78 -0.21 1.96 4.64 -1.59 -1.83 113.55 116.56 3i04 h SER 288 Ca 0.00 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3i04 h SER 288 Cb 0.43 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3i04 h SER 288 CO 0.00 0.71 0.10 -0.33 -0.87 0.00 0.00 176.83 176.43 3i04 h GLU 289 N 0.84 0.35 -0.01 4.77 4.39 -1.33 -1.88 114.58 121.71 3i04 h GLU 289 Ca 0.20 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.62 3i04 h GLU 289 Cb 0.18 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3i04 h GLU 289 CO -0.02 0.30 -0.97 0.82 -1.16 0.00 0.00 179.01 177.98 3i04 h ILE 290 N 0.35 1.33 -0.39 3.13 1.08 -1.53 -2.92 117.51 118.57 3i04 h ILE 290 Ca 0.09 -2.30 0.02 0.00 -0.39 0.00 0.00 64.86 62.27 3i04 h ILE 290 Cb 0.08 2.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.16 3i04 h ILE 290 CO -0.01 0.70 0.23 0.40 -0.69 0.00 0.00 178.15 178.78 3i04 h ILE 291 N 0.33 1.04 -0.50 -0.67 1.08 -1.22 0.59 117.51 118.16 3i04 h ILE 291 Ca -0.10 -0.16 0.10 0.00 -0.39 0.00 0.00 64.86 64.31 3i04 h ILE 291 Cb 1.61 0.53 -0.10 0.00 -3.07 0.00 0.00 36.82 35.79 3i04 h ILE 291 CO 0.18 0.09 -0.21 0.58 -0.69 0.00 0.00 178.15 178.10 3i04 h VAL 292 N 0.47 0.36 -0.30 1.67 2.07 -1.40 0.15 116.25 119.26 3i04 h VAL 292 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3i04 h VAL 292 Cb 0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3i04 h VAL 292 CO -0.07 0.00 0.12 -0.61 0.02 0.00 0.00 177.57 177.02 3i04 h GLN 293 N -0.09 0.46 -0.31 1.57 5.75 -1.24 -3.13 115.11 118.11 3i04 h GLN 293 Ca 0.24 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 3i04 h GLN 293 Cb 0.46 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 3i04 h GLN 293 CO -0.56 0.48 -0.00 0.00 -2.65 0.00 0.00 178.83 176.09 3i04 h ALA 294 N 0.96 0.28 -0.12 3.38 0.00 0.65 -3.00 119.26 121.40 3i04 h ALA 294 Ca 0.10 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i04 h ALA 294 Cb 0.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i04 h ALA 294 CO -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 179.25 178.89 3i04 h ALA 295 N 1.27 1.87 -0.46 0.00 0.00 -0.68 -1.53 119.26 119.73 3i04 h ALA 295 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 295 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 295 CO -0.25 0.11 0.24 0.00 0.00 0.00 0.00 179.25 179.35 3i04 h ARG 296 N 0.17 0.64 0.00 0.00 3.08 -1.48 -2.35 114.38 114.45 3i04 h ARG 296 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i04 h ARG 296 Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3i04 h ARG 296 CO -0.01 0.52 0.00 0.93 -1.07 0.00 0.00 179.97 180.35 3i04 h GLU 297 N 0.60 0.00 -0.17 0.04 5.08 -1.29 -3.28 114.58 115.55 3i04 h GLU 297 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i04 h GLU 297 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i04 h GLU 297 CO -0.02 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.66 3i04 n MET 298 N -2.87 1.74 -0.29 2.33 2.81 -0.70 -4.57 117.12 115.57 3i04 n MET 298 Ca 0.01 -1.73 0.06 0.00 -1.81 0.00 0.00 57.70 54.23 3i04 n MET 298 Cb 0.30 -1.34 0.21 0.00 -0.71 0.00 0.00 33.22 31.69 3i04 n MET 298 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i04 h GLU 299 N 3.11 0.62 -0.05 0.03 4.57 -1.50 -2.48 114.58 118.88 3i04 h GLU 299 Ca 0.00 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3i04 h GLU 299 Cb 0.73 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 3i04 h GLU 299 CO 0.00 0.41 -0.22 0.78 -1.18 0.00 0.00 179.01 178.81 3i04 h GLY 300 N 0.64 -0.27 0.05 1.92 0.00 -1.87 -1.63 103.07 101.91 3i04 h GLY 300 Ca 0.45 0.26 0.23 0.00 0.00 0.00 0.00 47.33 48.27 3i04 h GLY 300 CO -0.34 -0.19 0.63 0.83 0.00 0.00 0.00 176.54 177.47 3i04 h GLU 301 N -0.31 0.50 0.19 4.80 5.08 -1.77 -0.03 114.58 123.03 3i04 h GLU 301 Ca 0.08 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 3i04 h GLU 301 Cb 0.42 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3i04 h GLU 301 CO -0.24 0.33 -1.41 0.00 -1.00 0.00 0.00 179.01 176.70 3i04 h ALA 302 N 1.63 -0.01 -0.32 3.43 0.00 -1.18 -2.94 119.26 119.87 3i04 h ALA 302 Ca 0.56 -0.91 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 3i04 h ALA 302 Cb 1.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3i04 h ALA 302 CO -0.30 0.86 -0.34 0.87 0.00 0.00 0.00 179.25 180.34 3i04 h LYS 303 N 0.11 0.71 -0.35 0.00 1.57 -1.00 -1.42 116.57 116.20 3i04 h LYS 303 Ca -0.21 -0.34 0.10 0.00 -1.87 0.00 0.00 60.65 58.33 3i04 h LYS 303 Cb 2.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.37 3i04 h LYS 303 CO 0.23 0.94 0.32 0.00 -0.57 0.00 0.00 179.45 180.37 3i04 h ALA 304 N 1.03 2.13 -0.36 3.86 0.00 -0.98 -1.92 119.26 123.01 3i04 h ALA 304 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 304 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i04 h ALA 304 CO 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3i04 n ALA 305 N -2.45 2.44 0.00 0.00 0.00 -0.87 -4.93 120.51 114.69 3i04 n ALA 305 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3i04 n ALA 305 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i04 n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 306 N 1.43 0.77 3.88 0.00 0.00 -0.72 -4.75 105.19 105.80 3i04 n GLY 306 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3i04 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ALA 307 N -2.00 3.75 0.41 4.61 0.00 -0.59 -4.98 121.76 122.96 3i04 s ALA 307 Ca 0.00 -0.44 0.22 0.00 0.00 0.00 0.00 51.96 51.74 3i04 s ALA 307 Cb 0.00 -2.22 1.24 0.00 0.00 0.00 0.00 23.12 22.14 3i04 s ALA 307 CO 0.00 0.60 2.02 0.87 0.00 0.00 0.00 175.76 179.25 3i04 h LYS 308 N 3.50 0.00 0.00 0.00 1.57 -0.97 -3.30 116.57 117.37 3i04 h LYS 308 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3i04 h LYS 308 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3i04 h LYS 308 CO 0.68 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.14 3i04 n GLY 309 N -0.74 -1.41 3.61 3.86 0.00 -1.26 -4.90 105.19 104.35 3i04 n GLY 309 Ca -0.02 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3i04 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 310 N -2.89 5.17 -0.92 -0.61 1.01 -1.26 0.26 121.20 121.95 3i04 s ILE 310 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 3i04 s ILE 310 Cb 0.00 -3.71 0.24 0.00 0.01 0.00 0.00 42.46 39.00 3i04 s ILE 310 CO 0.00 0.16 0.87 0.21 0.00 0.00 0.00 174.94 176.18 3i04 s ASN 311 N 1.56 6.76 0.15 3.58 2.47 0.14 -4.90 114.94 124.70 3i04 s ASN 311 Ca 0.16 -3.15 -0.31 0.00 0.42 0.00 0.00 52.86 49.98 3i04 s ASN 311 Cb -0.16 -2.15 -0.09 0.00 -1.45 0.00 0.00 41.25 37.41 3i04 s ASN 311 CO 0.10 -0.41 1.46 -0.76 -3.72 0.00 0.00 177.10 173.76 3i04 s LEU 312 N -0.54 4.37 0.04 3.21 1.43 -1.26 -2.10 118.68 123.83 3i04 s LEU 312 Ca 0.24 2.47 -0.01 0.00 -1.03 0.00 0.00 54.13 55.79 3i04 s LEU 312 Cb -0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3i04 s LEU 312 CO -0.08 -0.71 -0.01 0.68 0.23 0.00 0.00 176.35 176.45 3i04 s VAL 313 N 0.96 0.18 0.25 -1.59 -7.23 -0.64 -4.38 120.40 107.95 3i04 s VAL 313 Ca 0.66 -1.45 0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3i04 s VAL 313 Cb -0.40 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 3i04 s VAL 313 CO 0.32 -0.80 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.30 3i04 s GLY 314 N -2.39 1.81 0.01 2.32 0.00 0.35 -0.81 107.32 108.61 3i04 s GLY 314 Ca -0.01 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.96 3i04 s GLY 314 CO -0.07 -1.83 -0.07 -0.42 0.00 0.00 0.00 173.10 170.71 3i04 s ILE 315 N -2.22 0.51 0.00 0.90 1.01 -0.33 -0.86 121.20 120.20 3i04 s ILE 315 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3i04 s ILE 315 Cb -0.06 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3i04 s ILE 315 CO 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.01 3i04 h THR 318 N 0.12 1.23 -0.52 0.00 1.03 -1.37 0.27 112.91 113.68 3i04 h THR 318 Ca -0.02 -0.97 -0.04 0.00 -0.01 0.00 0.00 66.41 65.37 3i04 h THR 318 Cb 1.25 0.94 -0.03 0.00 -1.07 0.00 0.00 68.15 69.25 3i04 h THR 318 CO 0.11 0.34 0.17 1.23 -0.01 0.00 0.00 175.52 177.35 3i04 h GLY 319 N 0.94 0.83 1.00 2.99 0.00 -0.97 -2.19 103.07 105.68 3i04 h GLY 319 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3i04 h GLY 319 CO 0.02 0.42 -0.35 3.43 0.00 0.00 0.00 176.54 180.05 3i04 h ASN 320 N 0.76 0.79 -0.35 0.19 2.35 -0.29 -1.08 115.58 117.95 3i04 h ASN 320 Ca 0.18 -0.50 0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3i04 h ASN 320 Cb 0.22 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3i04 h ASN 320 CO -0.01 1.13 0.00 -0.33 -1.65 0.00 0.00 177.43 176.57 3i04 h GLU 321 N 0.47 0.10 0.00 0.81 4.39 -0.15 0.48 114.58 120.68 3i04 h GLU 321 Ca 0.03 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 3i04 h GLU 321 Cb 0.94 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 3i04 h GLU 321 CO 0.08 0.06 -0.51 -0.39 -1.16 0.00 0.00 179.01 177.09 3i04 h VAL 322 N 0.10 0.68 0.07 3.13 -1.51 -1.44 -2.46 116.25 114.82 3i04 h VAL 322 Ca 0.17 -1.98 -0.00 0.00 -1.23 0.00 0.00 66.70 63.66 3i04 h VAL 322 Cb 0.23 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3i04 h VAL 322 CO -0.28 0.38 -0.04 0.25 -1.23 0.00 0.00 177.57 176.66 3i04 h LEU 323 N 0.00 -0.08 -1.24 4.19 5.85 -0.97 0.31 115.31 123.37 3i04 h LEU 323 Ca -0.02 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3i04 h LEU 323 Cb 1.33 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3i04 h LEU 323 CO 0.05 0.03 -0.15 0.24 -0.34 0.00 0.00 178.44 178.27 3i04 h MET 324 N -0.19 0.34 0.00 1.25 2.86 -0.82 -2.02 114.93 116.35 3i04 h MET 324 Ca -0.01 -0.09 -0.31 0.00 -2.06 0.00 0.00 59.70 57.23 3i04 h MET 324 Cb 0.16 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3i04 h MET 324 CO 0.02 0.49 -2.16 0.54 1.06 0.00 0.00 176.91 176.86 3i04 n ARG 325 N -4.22 0.69 -0.04 1.72 1.74 -0.93 -4.19 116.66 111.43 3i04 n ARG 325 Ca -0.00 0.09 0.04 0.00 -0.77 0.00 0.00 57.85 57.21 3i04 n ARG 325 Cb 0.31 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 3i04 n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i04 n GLN 326 N -3.00 0.89 -1.17 5.56 1.13 0.10 -4.97 117.38 115.93 3i04 n GLN 326 Ca -0.34 -1.24 -0.06 0.00 -1.94 0.00 0.00 57.00 53.42 3i04 n GLN 326 Cb 0.92 -1.17 -0.03 0.00 0.11 0.00 0.00 30.24 30.08 3i04 n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i04 n GLY 327 N 0.40 0.70 3.74 1.08 0.00 -0.76 -4.94 105.19 105.41 3i04 n GLY 327 Ca 0.06 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3i04 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 328 N -1.81 3.23 0.60 -0.61 -1.09 -0.98 -4.65 121.20 115.89 3i04 s ILE 328 Ca 0.00 1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 59.33 3i04 s ILE 328 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3i04 s ILE 328 CO 0.00 0.15 1.01 -2.16 -1.23 0.00 0.00 174.94 172.71 3i04 s PRO 329 N -0.15 3.63 -0.17 2.79 0.04 -1.26 -3.70 135.00 136.18 3i04 s PRO 329 Ca 0.56 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 3i04 s PRO 329 Cb -0.36 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 3i04 s PRO 329 CO 0.38 -0.51 0.20 -0.51 0.04 0.00 0.00 177.00 176.60 3i04 s LEU 330 N -5.04 4.24 -0.11 -3.56 1.43 -0.92 -0.50 118.68 114.23 3i04 s LEU 330 Ca 0.55 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 3i04 s LEU 330 Cb -0.11 -2.21 -0.27 0.00 0.03 0.00 0.00 46.19 43.63 3i04 s LEU 330 CO 0.51 0.17 0.56 1.62 0.23 0.00 0.00 176.35 179.45 3i04 h VAL 331 N 4.60 1.08 -2.83 -1.59 3.04 -1.24 0.50 116.25 119.81 3i04 h VAL 331 Ca -0.42 -2.39 0.01 0.00 -1.01 0.00 0.00 66.70 62.88 3i04 h VAL 331 Cb 1.16 2.74 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 3i04 h VAL 331 CO 0.74 0.68 0.31 1.07 -1.01 0.00 0.00 177.57 179.37 3i04 n THR 332 N -3.98 0.00 -3.75 3.17 5.66 -1.25 -2.16 114.28 111.97 3i04 n THR 332 Ca -0.24 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 59.92 3i04 n THR 332 Cb 0.87 0.88 0.00 0.00 -1.55 0.00 0.00 70.33 70.53 3i04 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i04 n SER 333 N -1.45 1.84 0.28 1.09 3.41 -1.26 -4.06 113.62 113.47 3i04 n SER 333 Ca -0.07 -0.83 -0.17 0.00 -0.26 0.00 0.00 58.87 57.53 3i04 n SER 333 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 3i04 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i04 h PHE 334 N 0.77 -1.20 0.00 7.33 3.57 -1.96 -2.75 116.94 122.69 3i04 h PHE 334 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i04 h PHE 334 Cb 0.00 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3i04 h PHE 334 CO 0.00 -0.60 0.00 0.00 -2.23 0.00 0.00 178.31 175.48 3i04 h ALA 335 N -0.63 1.00 -0.22 2.41 0.00 -1.98 -2.91 119.26 116.94 3i04 h ALA 335 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 335 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i04 h ALA 335 CO -0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 3i04 n SER 336 N -2.66 2.68 -0.09 0.00 3.41 -1.09 -4.71 113.62 111.16 3i04 n SER 336 Ca 0.01 -2.11 0.25 0.00 -0.26 0.00 0.00 58.87 56.76 3i04 n SER 336 Cb 0.22 -0.19 0.72 0.00 -0.26 0.00 0.00 64.21 64.71 3i04 n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i04 h GLN 337 N 1.28 0.00 0.11 4.33 3.07 -1.28 -1.37 115.11 121.25 3i04 h GLN 337 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.46 3i04 h GLN 337 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.30 3i04 h GLN 337 CO 0.02 0.00 -1.21 0.93 0.09 0.00 0.00 178.83 178.66 3i04 h GLU 338 N 0.00 0.48 -0.27 0.06 5.08 -1.87 -3.28 114.58 114.79 3i04 h GLU 338 Ca 0.35 -0.67 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3i04 h GLU 338 Cb 1.48 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3i04 h GLU 338 CO -0.00 1.29 0.18 -0.07 -1.00 0.00 0.00 179.01 179.40 3i04 h LEU 339 N 0.20 0.27 -1.53 1.33 -0.00 -1.60 0.65 115.31 114.64 3i04 h LEU 339 Ca -0.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 3i04 h LEU 339 Cb 1.89 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 42.46 3i04 h LEU 339 CO 0.22 0.19 0.27 0.00 -0.00 0.00 0.00 178.44 179.13 3i04 h ALA 340 N 1.84 1.65 -0.04 1.53 0.00 -1.59 -2.37 119.26 120.28 3i04 h ALA 340 Ca 0.10 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3i04 h ALA 340 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i04 h ALA 340 CO -0.02 0.31 -0.75 0.82 0.00 0.00 0.00 179.25 179.61 3i04 h ILE 341 N 0.61 1.43 0.00 0.00 2.04 -1.02 -2.75 117.51 117.81 3i04 h ILE 341 Ca 0.16 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.74 3i04 h ILE 341 Cb -0.04 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3i04 h ILE 341 CO -0.03 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.79 3i04 h THR 343 N 0.00 0.00 0.00 0.00 1.35 -1.49 -3.45 112.91 109.32 3i04 h THR 343 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3i04 h THR 343 Cb 0.01 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3i04 h THR 343 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3i04 n GLY 344 N 0.66 0.89 0.79 5.82 0.00 -0.70 -1.23 105.19 111.42 3i04 n GLY 344 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3i04 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 345 N 1.00 2.46 -2.64 4.61 0.00 -1.26 -4.80 120.51 119.88 3i04 n ALA 345 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 3i04 n ALA 345 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3i04 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i04 s ILE 346 N -1.62 4.96 -0.12 0.00 -1.09 -1.26 -4.29 121.20 117.77 3i04 s ILE 346 Ca 0.23 1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 59.89 3i04 s ILE 346 Cb 0.16 -3.98 -0.25 0.00 -1.58 0.00 0.00 42.46 36.82 3i04 s ILE 346 CO 0.25 0.02 0.35 0.47 -1.23 0.00 0.00 174.94 174.80 3i04 n ASP 347 N 5.61 1.82 -3.78 3.58 8.00 -0.50 -4.09 116.55 127.19 3i04 n ASP 347 Ca 0.01 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 3i04 n ASP 347 Cb 0.49 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 3i04 n ASP 347 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i04 s ALA 348 N -2.56 -0.69 -0.19 2.24 0.00 -1.10 -2.08 121.76 117.37 3i04 s ALA 348 Ca -0.20 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.14 3i04 s ALA 348 Cb 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3i04 s ALA 348 CO 0.76 -0.22 -0.13 1.41 0.00 0.00 0.00 175.76 177.59 3i04 s MET 349 N -0.98 2.25 -0.24 0.00 1.75 -0.58 -0.36 119.30 121.15 3i04 s MET 349 Ca -0.10 -0.85 -0.06 0.00 -1.25 0.00 0.00 55.69 53.43 3i04 s MET 349 Cb -0.05 -2.44 -0.02 0.00 2.84 0.00 0.00 34.83 35.16 3i04 s MET 349 CO 0.03 -0.38 0.02 0.00 -0.65 0.00 0.00 175.02 174.05 3i04 s VAL 351 N 1.55 2.68 0.00 0.00 -7.23 0.16 -2.28 120.40 115.28 3i04 s VAL 351 Ca 0.06 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3i04 s VAL 351 Cb -0.15 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3i04 s VAL 351 CO 0.01 -0.05 0.00 -0.90 -0.31 0.00 0.00 175.10 173.85 3i04 n ASP 352 N 0.38 0.00 -3.94 4.85 5.68 -1.14 -2.23 116.55 120.14 3i04 n ASP 352 Ca -0.13 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.05 3i04 n ASP 352 Cb 0.55 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.40 3i04 n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i04 s VAL 353 N 0.00 0.14 0.00 2.12 -7.23 -1.26 -4.38 120.40 109.78 3i04 s VAL 353 Ca 0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3i04 s VAL 353 Cb 0.00 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.73 3i04 s VAL 353 CO 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 175.10 174.55 3i04 n GLN 354 N 2.27 0.00 -2.14 4.82 6.02 -1.26 -3.29 117.38 123.80 3i04 n GLN 354 Ca -0.18 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.61 3i04 n GLN 354 Cb 0.57 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.80 3i04 n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i04 s ILE 356 N -2.87 5.07 -0.12 0.00 1.01 -1.26 -4.94 121.20 118.08 3i04 s ILE 356 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 3i04 s ILE 356 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3i04 s ILE 356 CO 0.00 -0.37 1.59 -0.04 0.00 0.00 0.00 174.94 176.13 3i04 s MET 357 N 2.20 4.05 0.13 2.79 -1.94 -1.26 -4.85 119.30 120.42 3i04 s MET 357 Ca 0.13 1.95 0.21 0.00 -1.71 0.00 0.00 55.69 56.27 3i04 s MET 357 Cb -0.17 -3.98 0.85 0.00 2.01 0.00 0.00 34.83 33.55 3i04 s MET 357 CO 0.14 -0.99 1.64 -0.35 -0.01 0.00 0.00 175.02 175.46 3i04 n PRO 358 N 7.25 0.11 0.16 2.03 -0.04 -1.26 -2.24 135.00 141.01 3i04 n PRO 358 Ca 0.17 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 3i04 n PRO 358 Cb 0.44 -1.69 0.58 0.00 -0.04 0.00 0.00 33.50 32.78 3i04 n PRO 358 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i04 n SER 359 N -1.90 0.59 -0.04 3.54 3.41 -1.26 -2.50 113.62 115.46 3i04 n SER 359 Ca 0.03 0.75 0.22 0.00 -0.26 0.00 0.00 58.87 59.61 3i04 n SER 359 Cb 0.24 -0.83 0.70 0.00 -0.26 0.00 0.00 64.21 64.05 3i04 n SER 359 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3i04 h ILE 360 N 0.00 0.70 -0.34 -1.33 3.07 -1.85 0.21 117.51 117.97 3i04 h ILE 360 Ca 0.00 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.29 3i04 h ILE 360 Cb 0.06 0.70 -0.01 0.00 -0.27 0.00 0.00 36.82 37.29 3i04 h ILE 360 CO 0.00 0.00 -0.28 0.77 -1.05 0.00 0.00 178.15 177.59 3i04 h SER 361 N 0.00 0.71 -0.34 2.16 4.64 -1.77 0.86 113.55 119.81 3i04 h SER 361 Ca 0.29 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3i04 h SER 361 Cb 1.16 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3i04 h SER 361 CO -0.00 0.95 -0.33 0.00 -0.87 0.00 0.00 176.83 176.58 3i04 h ALA 362 N 1.09 0.50 -0.27 5.18 0.00 -0.87 -3.02 119.26 121.88 3i04 h ALA 362 Ca 0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3i04 h ALA 362 Cb 0.78 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i04 h ALA 362 CO 0.06 0.56 -0.32 0.28 0.00 0.00 0.00 179.25 179.83 3i04 h VAL 363 N 0.61 1.31 0.00 0.00 2.07 -1.02 -3.03 116.25 116.20 3i04 h VAL 363 Ca 0.06 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 3i04 h VAL 363 Cb 0.91 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3i04 h VAL 363 CO 0.08 0.48 -0.09 0.00 0.02 0.00 0.00 177.57 178.06 3i04 h ALA 364 N 0.68 1.83 -0.16 1.67 0.00 -0.85 -2.47 119.26 119.95 3i04 h ALA 364 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 364 Cb 0.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3i04 h ALA 364 CO 0.08 0.12 -0.06 1.49 0.00 0.00 0.00 179.25 180.88 3i04 h GLU 365 N 0.00 0.24 0.00 0.00 4.81 -1.39 -0.07 114.58 118.17 3i04 h GLU 365 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i04 h GLU 365 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3i04 h GLU 365 CO 0.01 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 3i04 n TYR 367 N -1.47 0.00 -0.55 0.00 4.02 -0.04 -5.06 117.16 114.06 3i04 n TYR 367 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.03 3i04 n TYR 367 Cb 0.21 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 39.85 3i04 n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3i04 n HIS 368 N 0.00 1.22 -2.40 -0.72 8.25 -1.25 -4.97 115.22 115.35 3i04 n HIS 368 Ca 0.00 -0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 56.45 3i04 n HIS 368 Cb 0.00 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 3i04 n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i04 s THR 369 N -1.65 3.63 -0.28 1.59 2.01 -1.22 -4.91 115.64 114.82 3i04 s THR 369 Ca 0.47 1.37 -0.20 0.00 0.31 0.00 0.00 61.69 63.63 3i04 s THR 369 Cb 0.29 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3i04 s THR 369 CO 0.24 0.22 0.61 -0.13 -0.69 0.00 0.00 174.62 174.87 3i04 s ARG 370 N -0.20 4.02 -0.13 4.92 1.81 -0.89 -4.69 118.95 123.78 3i04 s ARG 370 Ca 0.53 0.41 -0.15 0.00 -1.72 0.00 0.00 55.73 54.79 3i04 s ARG 370 Cb -0.32 -3.68 -0.05 0.00 -0.45 0.00 0.00 34.95 30.45 3i04 s ARG 370 CO 0.36 -0.47 0.36 0.42 -0.68 0.00 0.00 175.30 175.29 3i04 s ILE 371 N 2.51 5.25 -0.20 1.52 -1.09 -1.26 -1.53 121.20 126.41 3i04 s ILE 371 Ca 0.25 0.69 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 3i04 s ILE 371 Cb -0.15 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3i04 s ILE 371 CO 0.10 0.39 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.48 3i04 s ILE 372 N 0.37 1.55 0.36 2.92 1.01 -0.22 -0.93 121.20 126.26 3i04 s ILE 372 Ca 0.20 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3i04 s ILE 372 Cb -0.14 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3i04 s ILE 372 CO 0.07 0.13 0.60 0.42 0.00 0.00 0.00 174.94 176.15 3i04 s THR 373 N 1.43 5.04 0.00 2.92 -4.23 -0.04 0.36 115.64 121.12 3i04 s THR 373 Ca -0.02 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 3i04 s THR 373 Cb -0.16 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3i04 s THR 373 CO -0.08 -0.56 0.00 0.35 -0.54 0.00 0.00 174.62 173.79 3i04 n THR 374 N -1.66 0.00 -3.96 3.99 -2.24 -0.95 -1.24 114.28 108.22 3i04 n THR 374 Ca -0.03 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 3i04 n THR 374 Cb 0.55 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 3i04 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 s ALA 375 N -0.24 3.83 -1.11 6.98 0.00 -1.26 -2.56 121.76 127.40 3i04 s ALA 375 Ca 0.00 -0.75 0.21 0.00 0.00 0.00 0.00 51.96 51.42 3i04 s ALA 375 Cb 0.00 -1.83 0.94 0.00 0.00 0.00 0.00 23.12 22.23 3i04 s ALA 375 CO 0.00 0.69 1.68 -0.40 0.00 0.00 0.00 175.76 177.73 3i04 n ASP 376 N 1.38 0.00 -0.54 0.00 5.68 -1.26 -2.75 116.55 119.05 3i04 n ASP 376 Ca -0.15 0.37 0.05 0.00 -0.50 0.00 0.00 54.79 54.56 3i04 n ASP 376 Cb 0.53 -0.45 0.14 0.00 -1.14 0.00 0.00 41.12 40.21 3i04 n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i04 n ASN 377 N -1.45 2.89 -3.33 -1.12 0.23 -1.26 -4.84 115.26 106.38 3i04 n ASN 377 Ca 0.06 -2.19 -0.14 0.00 -0.53 0.00 0.00 54.58 51.79 3i04 n ASN 377 Cb 0.23 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.62 3i04 n ASN 377 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i04 s ALA 378 N -1.33 -0.77 0.17 -2.53 0.00 -1.11 -5.05 121.76 111.13 3i04 s ALA 378 Ca 0.22 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.48 3i04 s ALA 378 Cb 0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3i04 s ALA 378 CO 0.12 -2.17 -0.14 0.15 0.00 0.00 0.00 175.76 173.72 3i04 s LYS 379 N 1.47 1.91 -0.16 0.00 1.02 -1.26 -4.44 119.74 118.28 3i04 s LYS 379 Ca 0.17 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 3i04 s LYS 379 Cb -0.13 -2.10 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 3i04 s LYS 379 CO -0.03 0.44 0.05 0.42 -0.92 0.00 0.00 175.35 175.31 3i04 s ILE 380 N -1.56 0.28 0.32 2.17 1.01 -1.26 -5.12 121.20 117.05 3i04 s ILE 380 Ca 0.23 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 3i04 s ILE 380 Cb -0.09 -0.78 -0.13 0.00 0.01 0.00 0.00 42.46 41.47 3i04 s ILE 380 CO 0.13 -0.14 1.16 -2.65 0.00 0.00 0.00 174.94 173.43 3i04 n PRO 381 N 5.15 1.76 0.00 2.79 -0.02 -1.26 -1.79 135.00 141.62 3i04 n PRO 381 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3i04 n PRO 381 Cb 0.48 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3i04 n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 382 N 0.98 2.16 3.89 -1.23 0.00 -1.26 -4.90 105.19 104.84 3i04 n GLY 382 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3i04 n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ALA 383 N -2.34 3.90 0.54 4.61 0.00 -0.74 -4.88 121.76 122.85 3i04 s ALA 383 Ca 0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 3i04 s ALA 383 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3i04 s ALA 383 CO 0.00 0.67 1.28 0.71 0.00 0.00 0.00 175.76 178.42 3i04 s TYR 384 N -1.20 2.43 -0.07 0.00 2.02 -0.11 -4.83 117.35 115.59 3i04 s TYR 384 Ca 0.23 1.45 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 3i04 s TYR 384 Cb -0.13 -3.63 0.01 0.00 -0.40 0.00 0.00 41.96 37.81 3i04 s TYR 384 CO 0.13 -2.43 -0.17 -1.58 -1.57 0.00 0.00 175.55 169.93 3i04 s HIS 385 N -1.42 1.83 -0.15 2.71 5.65 -1.26 -0.86 115.29 121.79 3i04 s HIS 385 Ca 0.72 -0.69 -0.01 0.00 0.25 0.00 0.00 55.06 55.33 3i04 s HIS 385 Cb -0.35 -1.28 -0.01 0.00 -1.18 0.00 0.00 32.58 29.76 3i04 s HIS 385 CO 0.41 -0.30 -0.12 0.42 -0.65 0.00 0.00 174.74 174.50 3i04 s ILE 386 N 0.47 3.08 -1.15 0.89 1.01 -0.37 -4.98 121.20 120.16 3i04 s ILE 386 Ca -0.14 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 3i04 s ILE 386 Cb -0.16 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.07 3i04 s ILE 386 CO 0.05 0.51 1.56 -0.62 0.00 0.00 0.00 174.94 176.43 3i04 s ASP 387 N 0.60 6.69 -0.27 3.58 2.15 -1.26 -4.04 116.67 124.12 3i04 s ASP 387 Ca -0.07 -2.01 -0.29 0.00 0.43 0.00 0.00 52.55 50.61 3i04 s ASP 387 Cb -0.15 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3i04 s ASP 387 CO 0.03 -1.29 1.32 -0.47 -0.17 0.00 0.00 175.17 174.60 3i04 s TYR 388 N 4.31 2.65 0.10 -5.34 5.04 -1.06 -5.04 117.35 118.02 3i04 s TYR 388 Ca 0.48 0.86 0.09 0.00 -2.44 0.00 0.00 57.07 56.07 3i04 s TYR 388 Cb 0.01 -3.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.43 3i04 s TYR 388 CO -0.02 -1.83 -0.22 -0.65 -1.34 0.00 0.00 175.55 171.50 3i04 s GLN 389 N 4.11 1.72 0.32 4.97 -1.52 -1.26 -4.90 119.66 123.10 3i04 s GLN 389 Ca 0.57 -1.19 0.01 0.00 -1.95 0.00 0.00 55.36 52.81 3i04 s GLN 389 Cb -0.18 -2.05 0.54 0.00 -0.22 0.00 0.00 33.01 31.10 3i04 s GLN 389 CO 0.22 0.48 1.91 1.79 -0.25 0.00 0.00 175.29 179.45 3i04 h THR 390 N 3.78 1.19 0.00 -0.19 1.35 -1.95 -1.55 112.91 115.54 3i04 h THR 390 Ca -0.49 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 3i04 h THR 390 Cb 1.16 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3i04 h THR 390 CO 0.44 0.24 -0.04 0.00 -0.25 0.00 0.00 175.52 175.91 3i04 h ALA 391 N 1.49 1.56 -0.13 6.62 0.00 -1.95 -3.04 119.26 123.80 3i04 h ALA 391 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 391 Cb 0.14 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 391 CO -0.02 0.05 -0.86 0.25 0.00 0.00 0.00 179.25 178.67 3i04 n THR 392 N -3.95 1.10 -0.15 0.00 -2.24 -0.99 -4.70 114.28 103.35 3i04 n THR 392 Ca -0.03 -2.28 -0.04 0.00 -2.27 0.00 0.00 64.05 59.44 3i04 n THR 392 Cb 0.13 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3i04 n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 h ALA 393 N 1.34 0.58 -0.54 6.98 0.00 -1.17 -2.85 119.26 123.59 3i04 h ALA 393 Ca -0.09 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3i04 h ALA 393 Cb 1.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3i04 h ALA 393 CO 0.14 -0.19 -0.06 0.97 0.00 0.00 0.00 179.25 180.12 3i04 h ILE 394 N 0.38 1.27 -0.84 0.00 6.09 -1.87 -0.09 117.51 122.43 3i04 h ILE 394 Ca 0.22 -1.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.49 3i04 h ILE 394 Cb 0.19 0.95 -0.04 0.00 0.47 0.00 0.00 36.82 38.39 3i04 h ILE 394 CO -0.20 0.42 0.41 -0.33 -3.07 0.00 0.00 178.15 175.39 3i04 h GLU 395 N 0.86 1.20 -0.33 2.19 5.08 -1.91 0.31 114.58 121.98 3i04 h GLU 395 Ca 0.15 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3i04 h GLU 395 Cb 0.61 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3i04 h GLU 395 CO 0.04 0.91 -0.05 0.77 -1.00 0.00 0.00 179.01 179.68 3i04 h SER 396 N 1.19 0.61 -0.54 1.42 0.02 -1.32 -1.42 113.55 113.52 3i04 h SER 396 Ca 0.29 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3i04 h SER 396 Cb 0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3i04 h SER 396 CO -0.04 0.82 0.34 0.00 -1.14 0.00 0.00 176.83 176.81 3i04 h ALA 397 N 0.82 0.68 -0.86 3.77 0.00 -0.75 -1.64 119.26 121.29 3i04 h ALA 397 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 397 Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3i04 h ALA 397 CO 0.03 0.15 0.48 0.87 0.00 0.00 0.00 179.25 180.78 3i04 h LYS 398 N 0.72 1.19 -0.67 0.00 1.57 -0.85 -1.66 116.57 116.87 3i04 h LYS 398 Ca 0.19 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3i04 h LYS 398 Cb -0.04 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 31.99 3i04 h LYS 398 CO -0.04 0.86 0.40 1.15 -0.57 0.00 0.00 179.45 181.25 3i04 h THR 399 N 1.20 1.04 -0.32 -0.16 2.02 -1.04 0.36 112.91 116.00 3i04 h THR 399 Ca 0.30 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3i04 h THR 399 Cb 0.01 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3i04 h THR 399 CO -0.05 0.14 -0.13 0.00 0.37 0.00 0.00 175.52 175.85 3i04 h ALA 400 N 1.31 0.44 -0.04 6.16 0.00 -1.01 -1.67 119.26 124.45 3i04 h ALA 400 Ca 0.28 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 400 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i04 h ALA 400 CO -0.14 0.32 -0.01 0.82 0.00 0.00 0.00 179.25 180.25 3i04 h ILE 401 N 0.41 0.96 -0.86 0.00 2.04 -1.12 -2.48 117.51 116.46 3i04 h ILE 401 Ca 0.07 -0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.11 3i04 h ILE 401 Cb 0.64 0.96 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 3i04 h ILE 401 CO 0.04 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.63 3i04 h ARG 402 N 0.00 0.50 -0.42 2.37 3.08 -0.86 0.00 114.38 119.06 3i04 h ARG 402 Ca 0.02 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3i04 h ARG 402 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3i04 h ARG 402 CO -0.04 0.33 0.17 0.52 -1.07 0.00 0.00 179.97 179.89 3i04 h MET 403 N 0.52 0.34 -0.65 0.04 2.86 -1.10 -0.64 114.93 116.30 3i04 h MET 403 Ca 0.50 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 58.05 3i04 h MET 403 Cb 0.82 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 3i04 h MET 403 CO -0.43 0.22 0.15 0.00 1.06 0.00 0.00 176.91 177.91 3i04 h ALA 404 N 1.26 1.02 0.01 6.32 0.00 -0.77 -1.67 119.26 125.44 3i04 h ALA 404 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 404 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i04 h ALA 404 CO -0.18 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 3i04 h ILE 405 N 0.99 1.06 -0.91 0.00 2.04 -0.78 0.23 117.51 120.13 3i04 h ILE 405 Ca 0.21 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 66.00 3i04 h ILE 405 Cb 0.37 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3i04 h ILE 405 CO 0.00 0.05 0.58 -0.33 0.00 0.00 0.00 178.15 178.46 3i04 h GLU 406 N -0.11 0.72 0.00 2.37 4.39 -0.98 0.07 114.58 121.04 3i04 h GLU 406 Ca -0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3i04 h GLU 406 Cb 0.10 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3i04 h GLU 406 CO 0.00 0.47 -0.39 0.00 -1.16 0.00 0.00 179.01 177.94 3i04 h ALA 407 N 1.59 0.92 -0.50 3.43 0.00 -0.88 -2.94 119.26 120.88 3i04 h ALA 407 Ca 0.46 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 407 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i04 h ALA 407 CO -0.22 0.49 -0.13 0.35 0.00 0.00 0.00 179.25 179.73 3i04 h PHE 408 N 0.00 1.10 -0.80 0.00 3.57 0.97 -2.25 116.94 119.53 3i04 h PHE 408 Ca -0.00 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.26 3i04 h PHE 408 Cb 1.00 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3i04 h PHE 408 CO 0.00 1.05 0.52 0.87 -2.23 0.00 0.00 178.31 178.51 3i04 h LYS 409 N 0.83 1.05 -0.02 1.11 1.57 -1.14 -1.84 116.57 118.14 3i04 h LYS 409 Ca 0.12 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 3i04 h LYS 409 Cb 0.70 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.78 3i04 h LYS 409 CO 0.05 0.71 -0.95 0.93 -0.57 0.00 0.00 179.45 179.62 3i04 h GLU 410 N 1.08 0.54 -0.02 3.15 5.08 -1.44 0.38 114.58 123.35 3i04 h GLU 410 Ca 0.29 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3i04 h GLU 410 Cb -0.11 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3i04 h GLU 410 CO -0.06 1.18 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.93 3i04 h ARG 411 N 0.31 -0.16 0.22 2.33 2.43 -1.26 -2.57 114.38 115.67 3i04 h ARG 411 Ca -0.09 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3i04 h ARG 411 Cb 1.58 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3i04 h ARG 411 CO 0.17 -0.11 -0.10 0.87 -1.51 0.00 0.00 179.97 179.29 3i04 h LYS 412 N -0.17 -0.28 -0.38 0.20 1.79 -1.29 -2.82 116.57 113.63 3i04 h LYS 412 Ca 0.05 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.64 3i04 h LYS 412 Cb 0.23 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3i04 h LYS 412 CO -0.12 -0.01 0.36 1.49 -1.08 0.00 0.00 179.45 180.09 3i04 h GLU 413 N -0.54 0.00 -0.01 3.15 4.81 -0.91 -1.45 114.58 119.64 3i04 h GLU 413 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i04 h GLU 413 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3i04 h GLU 413 CO 0.05 0.00 -0.34 -1.13 -0.73 0.00 0.00 179.01 176.86 3i04 n SER 414 N -3.88 1.64 -0.15 1.04 3.41 -0.97 -5.04 113.62 109.67 3i04 n SER 414 Ca 0.06 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3i04 n SER 414 Cb 0.54 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 3i04 n SER 414 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i04 n ASN 415 N -0.12 -0.15 -0.00 4.04 0.23 -0.55 -5.00 115.26 113.71 3i04 n ASN 415 Ca 0.07 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 3i04 n ASN 415 Cb 0.34 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3i04 n ASN 415 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i04 n ARG 416 N 0.94 3.63 -4.01 -3.83 5.12 -1.26 -5.11 116.66 112.14 3i04 n ARG 416 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 3i04 n ARG 416 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.16 3i04 n ARG 416 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3i04 s PRO 417 N 4.36 2.18 -0.22 5.56 0.04 -1.26 -5.09 135.00 140.57 3i04 s PRO 417 Ca 0.00 -1.42 -0.11 0.00 0.04 0.00 0.00 61.00 59.52 3i04 s PRO 417 Cb 0.00 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 3i04 s PRO 417 CO 0.00 -0.65 0.16 0.08 0.04 0.00 0.00 177.00 176.63 3i04 s VAL 418 N 1.11 5.37 -0.27 -0.36 1.01 -1.26 -4.68 120.40 121.33 3i04 s VAL 418 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3i04 s VAL 418 Cb -0.20 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.76 3i04 s VAL 418 CO -0.04 0.39 0.05 -0.47 0.00 0.00 0.00 175.10 175.02 3i04 s TYR 419 N 0.73 1.79 -0.30 5.22 5.04 -0.37 -5.04 117.35 124.43 3i04 s TYR 419 Ca 0.09 -1.60 -0.10 0.00 -2.44 0.00 0.00 57.07 53.02 3i04 s TYR 419 Cb -0.12 -1.59 -0.01 0.00 0.35 0.00 0.00 41.96 40.58 3i04 s TYR 419 CO 0.02 -0.80 0.15 0.42 -1.34 0.00 0.00 175.55 174.00 3i04 s ILE 420 N 1.59 4.65 0.26 3.14 1.01 -1.26 -4.48 121.20 126.10 3i04 s ILE 420 Ca 0.04 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 3i04 s ILE 420 Cb -0.18 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 3i04 s ILE 420 CO -0.16 0.11 1.56 -2.84 0.00 0.00 0.00 174.94 173.61 3i04 s PRO 421 N 1.63 4.17 -0.74 2.79 0.02 -1.26 -4.88 135.00 136.73 3i04 s PRO 421 Ca 0.05 2.48 -0.05 0.00 0.02 0.00 0.00 61.00 63.50 3i04 s PRO 421 Cb -0.17 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.31 3i04 s PRO 421 CO 0.06 -0.58 2.79 1.04 -0.33 0.00 0.00 177.00 179.98 3i04 n GLN 422 N 2.59 3.11 -4.04 5.54 1.13 -1.26 -1.94 117.38 122.51 3i04 n GLN 422 Ca 0.09 -2.49 -0.28 0.00 -1.94 0.00 0.00 57.00 52.38 3i04 n GLN 422 Cb 0.38 -2.32 -0.17 0.00 0.11 0.00 0.00 30.24 28.24 3i04 n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i04 s ILE 423 N -1.14 1.27 0.14 5.09 1.01 -1.26 -4.91 121.20 121.39 3i04 s ILE 423 Ca 0.59 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 3i04 s ILE 423 Cb 0.30 -1.22 0.07 0.00 0.01 0.00 0.00 42.46 41.62 3i04 s ILE 423 CO -0.14 0.41 0.65 -1.59 0.00 0.00 0.00 174.94 174.26 3i04 s LYS 424 N 1.50 1.23 0.04 2.79 -2.85 -1.26 -0.38 119.74 120.80 3i04 s LYS 424 Ca 0.03 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 54.56 3i04 s LYS 424 Cb -0.13 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 3i04 s LYS 424 CO -0.08 -0.54 -0.08 -0.80 0.10 0.00 0.00 175.35 173.96 3i04 s ASN 425 N -2.72 0.87 0.43 0.03 0.01 -0.69 -4.96 114.94 107.91 3i04 s ASN 425 Ca 0.02 -0.51 -0.23 0.00 -0.71 0.00 0.00 52.86 51.43 3i04 s ASN 425 Cb -0.01 0.02 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 3i04 s ASN 425 CO -0.12 -0.17 1.09 -0.60 -1.51 0.00 0.00 177.10 175.79 3i04 s ARG 426 N -1.45 3.99 -0.05 -0.60 3.52 -1.26 -1.85 118.95 121.25 3i04 s ARG 426 Ca -0.09 1.60 0.02 0.00 -0.13 0.00 0.00 55.73 57.13 3i04 s ARG 426 Cb -0.09 -2.46 0.02 0.00 -1.56 0.00 0.00 34.95 30.85 3i04 s ARG 426 CO 0.00 -0.31 -0.07 0.08 -0.81 0.00 0.00 175.30 174.19 3i04 s VAL 427 N -1.64 0.74 -0.15 7.11 1.01 -0.89 -3.57 120.40 123.02 3i04 s VAL 427 Ca 0.61 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3i04 s VAL 427 Cb -0.24 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3i04 s VAL 427 CO 0.30 0.27 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 3i04 s VAL 428 N 0.79 3.90 0.00 2.92 1.01 0.85 -1.52 120.40 128.34 3i04 s VAL 428 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3i04 s VAL 428 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3i04 s VAL 428 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.62 3i04 n ALA 429 N 3.42 0.00 -1.16 5.51 0.00 -0.91 -4.62 120.51 122.76 3i04 n ALA 429 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i04 n ALA 429 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i04 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 430 N 0.00 0.47 2.77 0.00 0.00 -1.25 -1.60 105.19 105.59 3i04 n GLY 430 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3i04 n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i04 n TRP 431 N -3.13 3.14 -0.58 1.61 7.02 -0.85 -2.90 117.44 121.74 3i04 n TRP 431 Ca 0.00 -2.88 -0.30 0.00 -1.02 0.00 0.00 57.50 53.31 3i04 n TRP 431 Cb 0.13 -2.21 0.21 0.00 -2.42 0.00 0.00 31.31 27.02 3i04 n TRP 431 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3i04 n SER 432 N 4.67 -0.67 0.06 -0.99 3.41 -1.26 -4.28 113.62 114.56 3i04 n SER 432 Ca 0.47 0.15 -0.02 0.00 -0.26 0.00 0.00 58.87 59.21 3i04 n SER 432 Cb 0.36 -1.37 0.24 0.00 -0.26 0.00 0.00 64.21 63.18 3i04 n SER 432 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i04 h LEU 433 N -2.27 0.37 -0.42 1.04 5.85 -1.92 -1.64 115.31 116.32 3i04 h LEU 433 Ca -0.52 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.17 3i04 h LEU 433 Cb 1.30 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 3i04 h LEU 433 CO 0.44 0.65 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.72 3i04 h GLU 434 N 0.32 -0.04 -0.58 1.25 3.07 -1.91 0.17 114.58 116.85 3i04 h GLU 434 Ca 0.05 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3i04 h GLU 434 Cb 0.67 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 3i04 h GLU 434 CO 0.05 -0.03 0.01 0.00 -1.40 0.00 0.00 179.01 177.64 3i04 h ALA 435 N 1.34 0.78 -0.11 3.43 0.00 -1.72 -1.65 119.26 121.32 3i04 h ALA 435 Ca 0.21 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3i04 h ALA 435 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i04 h ALA 435 CO -0.46 0.61 -0.33 -0.07 0.00 0.00 0.00 179.25 179.00 3i04 h LEU 436 N 0.91 0.21 -0.30 0.00 3.38 -1.02 -2.09 115.31 116.39 3i04 h LEU 436 Ca 0.16 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3i04 h LEU 436 Cb 0.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3i04 h LEU 436 CO 0.03 0.53 -0.11 0.74 0.09 0.00 0.00 178.44 179.72 3i04 h THR 437 N 0.18 1.29 -0.23 0.22 2.02 -0.24 -1.82 112.91 114.33 3i04 h THR 437 Ca 0.02 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.07 3i04 h THR 437 Cb 0.67 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3i04 h THR 437 CO 0.05 0.38 -0.05 0.50 0.37 0.00 0.00 175.52 176.77 3i04 h LYS 438 N 0.37 0.01 -0.37 6.66 3.11 -1.18 0.14 116.57 125.30 3i04 h LYS 438 Ca 0.07 -0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.97 3i04 h LYS 438 Cb 0.61 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.79 3i04 h LYS 438 CO 0.04 0.00 0.06 1.25 -2.81 0.00 0.00 179.45 177.99 3i04 h LEU 439 N 0.01 -0.02 -0.72 5.20 5.85 -1.29 -2.59 115.31 121.74 3i04 h LEU 439 Ca 0.11 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 3i04 h LEU 439 Cb 0.16 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3i04 h LEU 439 CO -0.23 0.03 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.27 3i04 h LEU 440 N 0.18 0.25 -2.23 2.25 3.38 -1.01 -2.88 115.31 115.25 3i04 h LEU 440 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 440 Cb 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i04 h LEU 440 CO -0.25 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3i04 h ALA 441 N 1.24 1.00 -0.14 1.53 0.00 -0.33 -1.34 119.26 121.23 3i04 h ALA 441 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 441 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i04 h ALA 441 CO 0.09 0.00 -0.28 1.79 0.00 0.00 0.00 179.25 180.85 3i04 h THR 442 N 0.00 1.25 0.10 0.00 1.35 -1.38 -2.60 112.91 111.62 3i04 h THR 442 Ca 0.00 -1.18 -0.32 0.00 -0.55 0.00 0.00 66.41 64.36 3i04 h THR 442 Cb 0.07 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 3i04 h THR 442 CO 0.00 0.36 -1.73 1.56 -0.25 0.00 0.00 175.52 175.46 3i04 h GLN 443 N 0.22 0.21 -2.17 4.72 1.08 -1.44 -3.45 115.11 114.28 3i04 h GLN 443 Ca 0.03 -0.35 -0.32 0.00 -1.45 0.00 0.00 58.65 56.56 3i04 h GLN 443 Cb 0.61 0.13 -0.33 0.00 -0.05 0.00 0.00 27.48 27.84 3i04 h GLN 443 CO 0.04 1.02 -0.63 1.21 -0.95 0.00 0.00 178.83 179.52 3i04 s ASN 444 N -6.82 1.60 0.39 1.46 3.84 -0.98 -5.01 114.94 109.43 3i04 s ASN 444 Ca -0.13 -0.68 0.21 0.00 0.21 0.00 0.00 52.86 52.47 3i04 s ASN 444 Cb 0.07 0.52 0.28 0.00 -0.55 0.00 0.00 41.25 41.57 3i04 s ASN 444 CO 0.82 -0.38 1.57 0.00 -2.79 0.00 0.00 177.10 176.32 3i04 h ALA 445 N 8.26 0.90 -0.06 1.71 0.00 -1.74 -2.13 119.26 126.20 3i04 h ALA 445 Ca -0.14 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 3i04 h ALA 445 Cb 1.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i04 h ALA 445 CO 0.33 0.20 -0.77 1.96 0.00 0.00 0.00 179.25 180.96 3i04 h GLN 446 N 0.00 0.40 -1.86 0.00 7.50 -1.95 -3.41 115.11 115.80 3i04 h GLN 446 Ca -0.00 -0.35 -0.44 0.00 0.50 0.00 0.00 58.65 58.36 3i04 h GLN 446 Cb 1.11 0.08 -0.30 0.00 0.05 0.00 0.00 27.48 28.41 3i04 h GLN 446 CO 0.02 1.00 -0.82 -1.71 -1.50 0.00 0.00 178.83 175.82 3i04 n ASN 447 N -3.82 -1.48 -0.12 1.46 2.85 -1.22 -5.05 115.26 107.89 3i04 n ASN 447 Ca -0.05 -2.58 -0.05 0.00 -0.11 0.00 0.00 54.58 51.80 3i04 n ASN 447 Cb 0.73 0.24 0.03 0.00 1.24 0.00 0.00 39.78 42.03 3i04 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i04 h PRO 448 N 5.32 0.23 -0.09 1.20 0.11 -1.62 -2.55 132.00 134.61 3i04 h PRO 448 Ca 0.18 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.31 3i04 h PRO 448 Cb 0.98 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i04 h PRO 448 CO 0.26 0.15 0.08 0.97 -0.21 0.00 0.00 178.00 179.24 3i04 h ILE 449 N 0.24 0.75 -0.01 4.15 6.09 -1.91 -1.65 117.51 125.16 3i04 h ILE 449 Ca 0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.69 3i04 h ILE 449 Cb 0.22 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 38.46 3i04 h ILE 449 CO -0.24 0.00 0.03 -0.09 -3.07 0.00 0.00 178.15 174.77 3i04 h ARG 450 N 0.00 0.00 -0.39 2.19 9.65 -1.83 -1.24 114.38 122.76 3i04 h ARG 450 Ca 0.04 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.88 3i04 h ARG 450 Cb 0.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3i04 h ARG 450 CO -0.00 0.00 0.08 0.28 2.80 0.00 0.00 179.97 183.13 3i04 h VAL 451 N 0.00 1.23 0.03 0.20 2.07 -1.43 0.39 116.25 118.74 3i04 h VAL 451 Ca 0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3i04 h VAL 451 Cb 0.06 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3i04 h VAL 451 CO -0.00 0.28 -0.02 0.25 0.02 0.00 0.00 177.57 178.10 3i04 h LEU 452 N 0.49 -0.04 -0.86 2.57 5.85 -1.56 -2.93 115.31 118.83 3i04 h LEU 452 Ca 0.12 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3i04 h LEU 452 Cb 0.33 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3i04 h LEU 452 CO 0.00 0.45 0.56 0.78 -0.34 0.00 0.00 178.44 179.89 3i04 h ASN 453 N -0.53 0.93 -0.06 1.25 2.35 -1.17 -2.66 115.58 115.69 3i04 h ASN 453 Ca -0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3i04 h ASN 453 Cb 0.49 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3i04 h ASN 453 CO 0.01 0.65 -0.31 -0.61 -1.65 0.00 0.00 177.43 175.52 3i04 h GLN 454 N 1.09 0.52 -0.60 0.81 5.75 -0.31 -1.10 115.11 121.27 3i04 h GLN 454 Ca 0.34 -0.22 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 3i04 h GLN 454 Cb -0.02 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3i04 h GLN 454 CO -0.11 0.77 0.07 0.00 -2.65 0.00 0.00 178.83 176.91 3i04 h ALA 455 N 1.22 0.98 -0.02 3.38 0.00 -1.31 0.39 119.26 123.91 3i04 h ALA 455 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 455 Cb 0.76 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i04 h ALA 455 CO 0.06 0.63 0.00 0.82 0.00 0.00 0.00 179.25 180.77 3i04 h ILE 456 N 0.93 1.24 -0.21 0.00 2.04 -1.30 -0.91 117.51 119.30 3i04 h ILE 456 Ca 0.18 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3i04 h ILE 456 Cb 0.45 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3i04 h ILE 456 CO 0.02 0.19 0.01 -0.07 0.00 0.00 0.00 178.15 178.29 3i04 h LEU 457 N -0.26 -0.06 -0.07 1.44 3.38 -1.02 -1.38 115.31 117.34 3i04 h LEU 457 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 457 Cb 0.30 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3i04 h LEU 457 CO 0.00 -0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3i04 n ASP 458 N -5.13 0.04 0.00 -0.43 8.00 0.14 -4.88 116.55 114.29 3i04 n ASP 458 Ca -0.02 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3i04 n ASP 458 Cb 0.11 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3i04 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i04 n GLY 459 N -0.80 0.62 0.11 0.44 0.00 -0.52 -4.93 105.19 100.11 3i04 n GLY 459 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3i04 n GLY 459 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i04 h GLU 460 N 1.60 0.04 -6.53 1.61 4.11 -1.42 -3.44 114.58 110.54 3i04 h GLU 460 Ca 0.00 -0.04 -0.68 0.00 0.07 0.00 0.00 59.36 58.71 3i04 h GLU 460 Cb 0.00 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.07 3i04 h GLU 460 CO 0.00 0.79 -0.77 -0.51 0.07 0.00 0.00 179.01 178.60 3i04 s LEU 461 N -7.33 2.85 0.44 3.06 1.43 -0.91 -3.96 118.68 114.26 3i04 s LEU 461 Ca -0.01 -0.38 0.24 0.00 -1.03 0.00 0.00 54.13 52.95 3i04 s LEU 461 Cb 0.11 -1.67 0.44 0.00 0.03 0.00 0.00 46.19 45.10 3i04 s LEU 461 CO 0.79 0.23 1.64 0.00 0.23 0.00 0.00 176.35 179.24 3i04 h ALA 462 N 4.15 0.98 0.00 4.21 0.00 -0.82 -3.38 119.26 124.40 3i04 h ALA 462 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i04 h ALA 462 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i04 h ALA 462 CO 0.50 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3i04 n GLY 463 N 0.98 0.51 3.31 0.00 0.00 -1.26 -4.73 105.19 104.01 3i04 n GLY 463 Ca 0.03 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 3i04 n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 464 N -2.43 2.03 -0.03 1.61 1.01 -0.56 -1.81 120.40 120.22 3i04 s VAL 464 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.79 3i04 s VAL 464 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3i04 s VAL 464 CO 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.44 3i04 s ALA 465 N -0.70 1.04 -0.20 5.51 0.00 -0.58 -1.39 121.76 125.43 3i04 s ALA 465 Ca 0.10 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 3i04 s ALA 465 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3i04 s ALA 465 CO 0.01 0.17 0.04 -1.17 0.00 0.00 0.00 175.76 174.80 3i04 s LEU 466 N 0.19 3.48 -0.20 0.00 2.96 -0.45 -0.95 118.68 123.72 3i04 s LEU 466 Ca -0.04 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3i04 s LEU 466 Cb -0.10 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3i04 s LEU 466 CO 0.01 0.08 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.43 3i04 s ILE 467 N 0.93 3.38 0.33 6.68 -1.09 -0.43 0.08 121.20 131.07 3i04 s ILE 467 Ca 0.03 -0.51 0.07 0.00 -2.23 0.00 0.00 60.65 58.01 3i04 s ILE 467 Cb -0.14 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 3i04 s ILE 467 CO 0.02 0.45 0.25 0.00 -1.23 0.00 0.00 174.94 174.43 3i04 n GLY 469 N -0.64 -2.92 2.37 0.00 0.00 -1.26 -4.21 105.19 98.52 3i04 n GLY 469 Ca 0.05 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 3i04 n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ASN 471 N -3.81 6.49 -0.21 0.00 0.02 -1.23 -4.19 114.94 112.02 3i04 s ASN 471 Ca 0.44 0.60 -0.04 0.00 -1.02 0.00 0.00 52.86 52.85 3i04 s ASN 471 Cb -0.02 -2.10 0.09 0.00 0.02 0.00 0.00 41.25 39.25 3i04 s ASN 471 CO 0.31 0.02 0.21 0.21 0.02 0.00 0.00 177.10 177.87 3i04 s ASN 472 N -2.53 1.48 0.00 -1.22 3.84 -1.09 -4.40 114.94 111.03 3i04 s ASN 472 Ca 0.41 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 53.23 3i04 s ASN 472 Cb -0.12 0.34 0.19 0.00 -0.55 0.00 0.00 41.25 41.11 3i04 s ASN 472 CO 0.25 -0.33 0.53 0.18 -2.79 0.00 0.00 177.10 174.94 3i04 n LEU 473 N 5.31 0.00 0.23 3.21 4.77 -1.26 -1.57 117.00 127.69 3i04 n LEU 473 Ca -0.05 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3i04 n LEU 473 Cb 0.49 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.12 3i04 n LEU 473 CO 0.08 0.00 0.91 0.11 -1.33 0.00 0.00 177.39 177.16 3i04 h LYS 474 N 0.00 0.00 -6.31 3.23 1.57 -1.96 -3.42 116.57 109.69 3i04 h LYS 474 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3i04 h LYS 474 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 3i04 h LYS 474 CO 0.00 0.18 -0.69 0.20 -0.57 0.00 0.00 179.45 178.56 3i04 s GLY 475 N -4.19 1.71 0.25 3.86 0.00 -0.61 -1.45 107.32 106.90 3i04 s GLY 475 Ca -0.04 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 3i04 s GLY 475 CO 0.68 -1.65 1.42 -1.36 0.00 0.00 0.00 173.10 172.18 3i04 s PHE 476 N -2.08 3.04 -0.25 1.90 0.40 -1.26 -4.70 117.98 115.03 3i04 s PHE 476 Ca 0.28 1.08 -0.40 0.00 -0.60 0.00 0.00 56.93 57.29 3i04 s PHE 476 Cb -0.07 -3.79 -0.16 0.00 0.51 0.00 0.00 43.02 39.51 3i04 s PHE 476 CO 0.17 -2.52 1.69 0.94 0.70 0.00 0.00 175.22 176.20 3i04 n GLN 477 N 2.22 1.08 -0.47 0.44 7.27 0.18 -2.23 117.38 125.87 3i04 n GLN 477 Ca 0.06 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3i04 n GLN 477 Cb 0.41 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 31.00 3i04 n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i04 n ASP 478 N 4.96 0.00 -0.22 1.69 8.00 -1.26 -1.30 116.55 128.41 3i04 n ASP 478 Ca 0.26 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.69 3i04 n ASP 478 Cb 0.12 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.28 3i04 n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i04 h ASN 479 N 0.00 1.02 0.32 -2.24 -1.24 -1.83 -1.40 115.58 110.20 3i04 h ASN 479 Ca 0.00 -0.23 -0.33 0.00 0.71 0.00 0.00 56.30 56.46 3i04 h ASN 479 Cb 0.00 -0.27 0.03 0.00 0.73 0.00 0.00 38.32 38.81 3i04 h ASN 479 CO 0.00 1.00 -1.44 0.28 -1.29 0.00 0.00 177.43 175.98 3i04 h SER 480 N 1.01 0.79 -0.14 1.15 0.02 -1.90 -2.16 113.55 112.32 3i04 h SER 480 Ca 0.21 -0.84 0.05 0.00 -0.84 0.00 0.00 61.79 60.36 3i04 h SER 480 Cb 0.40 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 3i04 h SER 480 CO 0.01 1.66 -0.24 0.45 -1.14 0.00 0.00 176.83 177.57 3i04 h HIS 481 N 0.14 -0.64 -0.29 3.45 3.86 -1.87 -1.32 115.15 118.49 3i04 h HIS 481 Ca -0.24 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 3i04 h HIS 481 Cb 2.14 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 30.90 3i04 h HIS 481 CO 0.12 -0.32 0.02 -0.07 0.86 0.00 0.00 177.93 178.54 3i04 h LEU 482 N -0.30 0.48 -0.18 2.43 3.38 -1.33 -0.23 115.31 119.56 3i04 h LEU 482 Ca 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3i04 h LEU 482 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3i04 h LEU 482 CO -0.32 0.65 0.09 0.74 0.09 0.00 0.00 178.44 179.69 3i04 h THR 483 N 0.30 1.12 0.11 0.22 2.02 -1.38 -0.23 112.91 115.07 3i04 h THR 483 Ca 0.09 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3i04 h THR 483 Cb 0.38 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3i04 h THR 483 CO 0.01 0.12 -0.05 0.58 0.37 0.00 0.00 175.52 176.54 3i04 h VAL 484 N 0.18 0.89 -0.46 3.16 2.07 -1.23 -2.63 116.25 118.23 3i04 h VAL 484 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3i04 h VAL 484 Cb 0.10 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3i04 h VAL 484 CO -0.01 0.00 0.21 0.24 0.02 0.00 0.00 177.57 178.03 3i04 h MET 485 N -0.15 0.41 -0.64 1.57 2.07 -0.79 -1.74 114.93 115.66 3i04 h MET 485 Ca -0.01 -0.02 -0.08 0.00 -2.07 0.00 0.00 59.70 57.52 3i04 h MET 485 Cb 0.12 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 3i04 h MET 485 CO 0.02 0.27 0.11 0.87 1.07 0.00 0.00 176.91 179.25 3i04 h LYS 486 N 0.42 1.06 -0.25 1.72 1.57 -1.04 0.74 116.57 120.79 3i04 h LYS 486 Ca 0.21 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3i04 h LYS 486 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3i04 h LYS 486 CO -0.16 0.98 -0.49 1.49 -0.57 0.00 0.00 179.45 180.70 3i04 h GLU 487 N 0.98 0.69 -0.10 3.15 4.57 -1.27 -2.21 114.58 120.38 3i04 h GLU 487 Ca 0.20 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3i04 h GLU 487 Cb 0.43 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3i04 h GLU 487 CO 0.01 1.02 0.03 -0.07 -1.18 0.00 0.00 179.01 178.82 3i04 h LEU 488 N 0.54 0.16 -0.80 1.64 3.38 -0.93 -2.65 115.31 116.65 3i04 h LEU 488 Ca 0.03 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3i04 h LEU 488 Cb 1.04 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 3i04 h LEU 488 CO 0.10 0.34 0.43 -0.07 0.09 0.00 0.00 178.44 179.33 3i04 h LEU 489 N -0.03 0.58 -1.31 1.67 3.38 -0.81 -1.82 115.31 116.97 3i04 h LEU 489 Ca 0.03 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3i04 h LEU 489 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i04 h LEU 489 CO -0.00 0.32 -0.05 0.50 0.09 0.00 0.00 178.44 179.29 3i04 h LYS 490 N 0.70 0.40 -0.69 1.13 3.64 -1.35 -1.30 116.57 119.10 3i04 h LYS 490 Ca 0.40 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3i04 h LYS 490 Cb 0.42 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 3i04 h LYS 490 CO -0.28 0.47 0.15 0.09 -2.27 0.00 0.00 179.45 177.62 3i04 n ASN 491 N -4.28 5.19 -2.10 4.20 3.02 -0.74 -3.83 115.26 116.72 3i04 n ASN 491 Ca 0.01 -3.07 -0.11 0.00 -0.03 0.00 0.00 54.58 51.37 3i04 n ASN 491 Cb 0.25 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 38.74 3i04 n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i04 n ASN 492 N 0.20 -3.68 -4.71 6.41 3.02 -0.82 -4.45 115.26 111.23 3i04 n ASN 492 Ca 0.35 -0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 3i04 n ASN 492 Cb 1.29 -2.80 -0.09 0.00 -0.61 0.00 0.00 39.78 37.58 3i04 n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i04 s VAL 493 N -3.17 5.07 -0.25 2.41 1.01 -0.89 -0.23 120.40 124.36 3i04 s VAL 493 Ca 0.22 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3i04 s VAL 493 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3i04 s VAL 493 CO 0.37 0.49 1.21 0.12 0.00 0.00 0.00 175.10 177.29 3i04 s PHE 494 N 0.06 2.92 -0.17 5.22 5.36 -0.75 -4.45 117.98 126.17 3i04 s PHE 494 Ca 0.07 1.06 -0.03 0.00 -0.96 0.00 0.00 56.93 57.08 3i04 s PHE 494 Cb -0.12 -3.64 -0.02 0.00 -0.34 0.00 0.00 43.02 38.90 3i04 s PHE 494 CO 0.00 -1.35 -0.07 0.08 -1.46 0.00 0.00 175.22 172.42 3i04 s VAL 495 N 3.78 3.46 0.14 3.12 1.01 -1.26 -1.53 120.40 129.12 3i04 s VAL 495 Ca 0.52 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.11 3i04 s VAL 495 Cb -0.17 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3i04 s VAL 495 CO 0.16 0.48 -0.24 0.68 0.00 0.00 0.00 175.10 176.18 3i04 s VAL 496 N 0.75 2.12 0.01 2.92 -7.23 -0.12 -0.77 120.40 118.08 3i04 s VAL 496 Ca -0.03 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 3i04 s VAL 496 Cb -0.15 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.89 3i04 s VAL 496 CO 0.02 -0.01 0.23 0.00 -0.31 0.00 0.00 175.10 175.02 3i04 s ALA 497 N -1.27 -0.52 0.30 1.32 0.00 0.51 -1.32 121.76 120.78 3i04 s ALA 497 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3i04 s ALA 497 Cb -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3i04 s ALA 497 CO 0.06 -0.29 0.16 0.95 0.00 0.00 0.00 175.76 176.64 3i04 s THR 498 N -1.83 0.32 0.00 0.00 -4.23 -0.60 -1.02 115.64 108.28 3i04 s THR 498 Ca -0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3i04 s THR 498 Cb -0.04 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3i04 s THR 498 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3i04 n GLY 499 N -0.57 1.99 0.22 3.99 0.00 -0.58 -2.09 105.19 108.13 3i04 n GLY 499 Ca 0.01 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.70 3i04 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 h SER 501 N 0.00 0.61 -0.51 0.00 0.87 -0.91 -0.62 113.55 112.98 3i04 h SER 501 Ca 0.00 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 3i04 h SER 501 Cb 0.34 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3i04 h SER 501 CO 0.00 0.92 0.07 0.00 -0.53 0.00 0.00 176.83 177.28 3i04 h ALA 502 N 0.71 0.68 -0.86 6.23 0.00 -1.16 -1.83 119.26 123.04 3i04 h ALA 502 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3i04 h ALA 502 Cb 0.71 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3i04 h ALA 502 CO 0.05 0.44 0.53 1.96 0.00 0.00 0.00 179.25 182.23 3i04 h GLN 503 N 0.74 0.94 0.30 0.00 4.20 -1.37 0.34 115.11 120.27 3i04 h GLN 503 Ca 0.15 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3i04 h GLN 503 Cb 0.43 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3i04 h GLN 503 CO 0.01 0.62 -0.48 0.00 -0.67 0.00 0.00 178.83 178.32 3i04 h ALA 504 N 1.40 -1.05 -0.83 3.87 0.00 -0.81 0.14 119.26 121.99 3i04 h ALA 504 Ca 0.37 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.30 3i04 h ALA 504 Cb 0.17 0.78 -0.16 0.00 0.00 0.00 0.00 17.79 18.58 3i04 h ALA 504 CO -0.17 -1.13 -0.21 0.00 0.00 0.00 0.00 179.25 177.74 3i04 h ALA 505 N -0.80 0.53 0.01 0.00 0.00 -1.03 -2.28 119.26 115.68 3i04 h ALA 505 Ca -0.03 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i04 h ALA 505 Cb 0.76 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i04 h ALA 505 CO -0.16 -0.41 -0.01 0.78 0.00 0.00 0.00 179.25 179.46 3i04 h GLY 506 N -0.00 -0.02 0.91 0.00 0.00 0.18 -0.05 103.07 104.09 3i04 h GLY 506 Ca 0.39 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.83 3i04 h GLY 506 CO -0.85 -0.01 0.46 0.50 0.00 0.00 0.00 176.54 176.65 3i04 h LYS 507 N -0.19 0.53 -0.09 4.80 1.57 -0.42 -3.23 116.57 119.53 3i04 h LYS 507 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i04 h LYS 507 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3i04 h LYS 507 CO 0.00 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.51 3i04 n LEU 508 N -4.49 2.04 0.00 2.94 4.77 -0.88 -4.39 117.00 116.99 3i04 n LEU 508 Ca 0.12 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3i04 n LEU 508 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3i04 n LEU 508 CO 0.33 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3i04 n GLY 509 N 0.01 0.81 0.07 -0.72 0.00 -0.75 -4.98 105.19 99.63 3i04 n GLY 509 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3i04 n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i04 n LEU 510 N 0.00 0.24 -1.25 0.99 4.32 -0.11 -2.86 117.00 118.33 3i04 n LEU 510 Ca 0.00 0.01 0.10 0.00 -0.02 0.00 0.00 56.01 56.09 3i04 n LEU 510 Cb 0.00 -0.09 0.30 0.00 -1.62 0.00 0.00 43.42 42.01 3i04 n LEU 510 CO 0.00 0.04 0.75 0.18 -1.22 0.00 0.00 177.39 177.15 3i04 n LEU 511 N -0.92 4.01 -4.61 2.23 4.77 -1.20 -2.86 117.00 118.41 3i04 n LEU 511 Ca 0.20 -2.20 -0.38 0.00 -0.03 0.00 0.00 56.01 53.60 3i04 n LEU 511 Cb 0.19 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 3i04 n LEU 511 CO 0.20 0.86 -0.13 -0.62 -1.33 0.00 0.00 177.39 176.37 3i04 s ASP 512 N -1.03 6.09 0.51 -1.43 2.15 -1.13 -0.11 116.67 121.72 3i04 s ASP 512 Ca 0.44 0.08 0.28 0.00 0.43 0.00 0.00 52.55 53.77 3i04 s ASP 512 Cb 0.26 -2.13 1.38 0.00 -0.30 0.00 0.00 42.92 42.12 3i04 s ASP 512 CO 0.25 -0.05 1.89 -0.65 -0.17 0.00 0.00 175.17 176.45 3i04 h PRO 513 N 8.15 0.10 -0.33 4.34 0.11 -1.88 0.29 132.00 142.78 3i04 h PRO 513 Ca -0.35 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.85 3i04 h PRO 513 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3i04 h PRO 513 CO 0.59 0.06 0.28 0.00 -0.21 0.00 0.00 178.00 178.72 3i04 h ALA 514 N 1.59 2.15 -0.30 -0.75 0.00 -1.93 -2.30 119.26 117.71 3i04 h ALA 514 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3i04 h ALA 514 Cb 1.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3i04 h ALA 514 CO -0.05 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 178.84 3i04 n ASN 515 N -4.11 2.14 -0.10 0.00 5.03 0.09 -4.09 115.26 114.22 3i04 n ASN 515 Ca 0.05 -1.86 -0.09 0.00 0.87 0.00 0.00 54.58 53.55 3i04 n ASN 515 Cb 0.45 -0.20 -0.01 0.00 -1.02 0.00 0.00 39.78 39.00 3i04 n ASN 515 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3i04 h VAL 516 N 2.61 1.10 -0.93 2.41 2.07 -1.56 -2.20 116.25 119.76 3i04 h VAL 516 Ca 0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3i04 h VAL 516 Cb 0.58 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3i04 h VAL 516 CO 0.00 0.10 0.59 -0.33 0.02 0.00 0.00 177.57 177.95 3i04 h GLU 517 N 0.44 1.06 -0.04 1.57 4.39 -1.81 -0.16 114.58 120.03 3i04 h GLU 517 Ca 0.12 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 3i04 h GLU 517 Cb -0.01 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 3i04 h GLU 517 CO -0.02 0.70 -0.52 0.00 -1.16 0.00 0.00 179.01 178.00 3i04 h THR 518 N 1.09 1.37 0.00 1.13 1.03 -1.72 -3.39 112.91 112.42 3i04 h THR 518 Ca 0.39 -1.80 -0.18 0.00 -0.01 0.00 0.00 66.41 64.82 3i04 h THR 518 Cb 0.13 1.93 -0.03 0.00 -1.07 0.00 0.00 68.15 69.11 3i04 h THR 518 CO -0.16 0.52 -1.67 -1.22 -0.01 0.00 0.00 175.52 172.98 3i04 n TYR 519 N -3.92 0.00 -2.83 0.00 0.53 -0.86 -5.06 117.16 105.03 3i04 n TYR 519 Ca -0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.46 3i04 n TYR 519 Cb 0.55 -0.47 -0.05 0.00 -1.03 0.00 0.00 39.34 38.33 3i04 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i04 s GLY 521 N -0.37 1.66 0.42 0.00 0.00 -0.55 -4.64 107.32 103.83 3i04 s GLY 521 Ca 0.42 0.25 0.14 0.00 0.00 0.00 0.00 44.72 45.54 3i04 s GLY 521 CO 0.28 0.68 1.93 -0.55 0.00 0.00 0.00 173.10 175.43 3i04 h ASP 522 N -1.54 0.43 0.03 1.64 5.19 -1.91 0.11 116.42 120.35 3i04 h ASP 522 Ca -0.46 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3i04 h ASP 522 Cb 1.26 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3i04 h ASP 522 CO 0.49 0.23 -0.01 1.23 -3.12 0.00 0.00 179.24 178.06 3i04 h GLY 523 N 0.46 -0.04 0.94 2.75 0.00 -1.91 -1.03 103.07 104.24 3i04 h GLY 523 Ca 0.36 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.72 3i04 h GLY 523 CO -0.12 -0.01 0.49 -2.00 0.00 0.00 0.00 176.54 174.89 3i04 h LEU 524 N -0.66 0.82 -0.38 3.11 5.85 -1.56 -0.20 115.31 122.30 3i04 h LEU 524 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3i04 h LEU 524 Cb 0.61 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3i04 h LEU 524 CO 0.01 0.58 0.18 0.50 -0.34 0.00 0.00 178.44 179.37 3i04 h LYS 525 N 0.97 0.54 -0.24 1.25 3.64 -0.76 0.30 116.57 122.27 3i04 h LYS 525 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3i04 h LYS 525 Cb -0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3i04 h LYS 525 CO -0.09 0.48 0.13 0.78 -2.27 0.00 0.00 179.45 178.48 3i04 h GLY 526 N 0.47 0.36 0.18 5.01 0.00 -1.02 0.80 103.07 108.88 3i04 h GLY 526 Ca 0.13 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.35 3i04 h GLY 526 CO -0.02 0.16 -0.23 -2.75 0.00 0.00 0.00 176.54 173.70 3i04 h PHE 527 N 0.27 -0.62 -0.05 5.60 3.57 -0.77 -1.07 116.94 123.88 3i04 h PHE 527 Ca 0.08 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3i04 h PHE 527 Cb 0.08 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3i04 h PHE 527 CO -0.03 -0.31 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.36 3i04 h LEU 528 N -0.25 0.08 0.01 0.59 3.38 -0.17 -1.95 115.31 116.99 3i04 h LEU 528 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i04 h LEU 528 Cb 0.45 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3i04 h LEU 528 CO -0.37 0.39 -0.00 0.50 0.09 0.00 0.00 178.44 179.05 3i04 h LYS 529 N 0.07 -0.01 -0.36 1.13 3.64 -0.45 -1.10 116.57 119.49 3i04 h LYS 529 Ca 0.01 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3i04 h LYS 529 Cb 0.59 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 3i04 h LYS 529 CO 0.04 0.24 0.00 -0.09 -2.27 0.00 0.00 179.45 177.37 3i04 h ARG 530 N -0.25 0.10 -0.57 1.90 2.43 -1.10 -1.87 114.38 115.02 3i04 h ARG 530 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3i04 h ARG 530 Cb 0.25 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3i04 h ARG 530 CO 0.00 0.07 0.32 -0.07 -1.51 0.00 0.00 179.97 178.78 3i04 h LEU 531 N 0.10 0.71 -2.03 3.80 3.38 -1.24 -2.32 115.31 117.71 3i04 h LEU 531 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i04 h LEU 531 Cb 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i04 h LEU 531 CO -0.29 0.58 -0.04 1.23 0.09 0.00 0.00 178.44 180.02 3i04 h GLY 532 N 0.77 0.00 0.85 0.83 0.00 -0.74 -1.37 103.07 103.41 3i04 h GLY 532 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3i04 h GLY 532 CO -0.03 0.00 -0.05 1.18 0.00 0.00 0.00 176.54 177.63 3i04 n GLU 533 N -3.23 0.86 -1.64 4.80 1.02 -0.74 -4.74 120.64 116.97 3i04 n GLU 533 Ca -0.01 -0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 56.53 3i04 n GLU 533 Cb 0.22 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3i04 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 534 N 1.19 0.33 3.66 0.62 0.00 -0.52 -4.87 105.19 105.61 3i04 n GLY 534 Ca 0.18 -0.19 -0.55 0.00 0.00 0.00 0.00 46.02 45.45 3i04 n GLY 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 535 N -2.06 -0.48 -1.14 4.61 0.00 -1.26 -2.09 120.51 118.08 3i04 n ALA 535 Ca 0.15 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 3i04 n ALA 535 Cb 0.48 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 3i04 n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i04 n ASN 536 N 4.23 -4.63 -4.47 0.00 3.02 -1.26 -4.93 115.26 107.22 3i04 n ASN 536 Ca 0.23 0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 54.47 3i04 n ASN 536 Cb 0.16 -2.56 -0.02 0.00 -0.61 0.00 0.00 39.78 36.75 3i04 n ASN 536 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i04 s ILE 537 N -1.83 4.63 -0.13 2.41 -1.09 -0.89 -4.81 121.20 119.50 3i04 s ILE 537 Ca 0.00 -1.61 0.02 0.00 -2.23 0.00 0.00 60.65 56.83 3i04 s ILE 537 Cb 0.00 -4.85 -0.24 0.00 -1.58 0.00 0.00 42.46 35.79 3i04 s ILE 537 CO 0.00 -1.61 0.34 -0.62 -1.23 0.00 0.00 174.94 171.82 3i04 n GLU 538 N 6.84 0.71 -0.26 2.79 1.02 -1.26 -4.62 120.64 125.85 3i04 n GLU 538 Ca 0.28 0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 57.63 3i04 n GLU 538 Cb 0.48 -1.69 0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3i04 n GLU 538 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3i04 h ILE 539 N 0.04 0.15 0.00 -3.67 -0.00 -1.97 -3.48 117.51 108.57 3i04 h ILE 539 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.44 3i04 h ILE 539 Cb 2.03 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 38.99 3i04 h ILE 539 CO 0.06 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.82 3i04 n GLY 540 N -1.47 2.01 3.62 0.16 0.00 -1.26 -5.07 105.19 103.19 3i04 n GLY 540 Ca 0.07 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3i04 n GLY 540 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i04 s LEU 541 N 0.00 3.97 0.83 0.99 1.43 -1.26 -4.81 118.68 119.83 3i04 s LEU 541 Ca 0.00 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3i04 s LEU 541 Cb 0.00 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.25 3i04 s LEU 541 CO 0.00 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 3i04 s PRO 542 N 1.11 1.81 0.35 1.29 0.04 -1.26 -4.34 135.00 134.00 3i04 s PRO 542 Ca 0.07 0.61 0.12 0.00 0.04 0.00 0.00 61.00 61.83 3i04 s PRO 542 Cb -0.14 -1.89 0.64 0.00 0.04 0.00 0.00 34.50 33.16 3i04 s PRO 542 CO 0.05 -1.81 1.79 -1.35 0.04 0.00 0.00 177.00 175.72 3i04 h PRO 543 N -1.22 0.03 -4.91 0.56 0.11 -1.77 -3.44 132.00 121.36 3i04 h PRO 543 Ca -0.48 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 3i04 h PRO 543 Cb 1.28 -0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.05 3i04 h PRO 543 CO 0.59 0.43 -0.85 0.08 -0.21 0.00 0.00 178.00 178.04 3i04 s VAL 544 N -4.12 1.62 -0.39 3.15 1.01 -1.14 -4.54 120.40 115.99 3i04 s VAL 544 Ca -0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3i04 s VAL 544 Cb 0.14 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3i04 s VAL 544 CO 0.74 0.46 0.53 -0.36 0.00 0.00 0.00 175.10 176.47 3i04 s PHE 545 N 0.67 3.15 -0.49 5.22 0.40 0.05 -4.70 117.98 122.27 3i04 s PHE 545 Ca -0.13 0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 3i04 s PHE 545 Cb -0.16 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.36 3i04 s PHE 545 CO 0.03 -0.66 1.23 -1.58 0.70 0.00 0.00 175.22 174.94 3i04 s HIS 546 N 2.46 2.64 -2.54 0.36 2.46 -1.26 -0.36 115.29 119.05 3i04 s HIS 546 Ca 0.18 0.62 0.25 0.00 0.47 0.00 0.00 55.06 56.59 3i04 s HIS 546 Cb -0.15 -4.43 0.41 0.00 -0.13 0.00 0.00 32.58 28.28 3i04 s HIS 546 CO 0.15 -1.54 1.37 -1.33 -2.47 0.00 0.00 174.74 170.92 3i04 n MET 547 N 8.09 1.77 0.00 2.88 2.81 -0.19 -2.00 117.12 130.48 3i04 n MET 547 Ca 0.12 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.67 3i04 n MET 547 Cb 0.49 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3i04 n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i04 n GLY 548 N 1.32 0.46 3.61 3.03 0.00 -1.25 -4.70 105.19 107.66 3i04 n GLY 548 Ca 0.14 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 3i04 n GLY 548 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i04 s SER 549 N -4.00 1.90 0.29 1.61 1.04 -1.26 -1.53 113.70 111.74 3i04 s SER 549 Ca 0.00 1.23 0.03 0.00 0.48 0.00 0.00 55.95 57.69 3i04 s SER 549 Cb 0.00 -1.93 0.64 0.00 0.10 0.00 0.00 66.02 64.83 3i04 s SER 549 CO 0.00 -3.59 1.78 0.00 0.98 0.00 0.00 173.24 172.41 3i04 h VAL 551 N 0.74 1.14 0.00 0.00 -1.51 -1.92 -0.87 116.25 113.83 3i04 h VAL 551 Ca 0.53 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3i04 h VAL 551 Cb 0.76 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3i04 h VAL 551 CO -0.36 0.19 0.00 0.47 -1.23 0.00 0.00 177.57 176.64 3i04 n ASP 552 N -4.32 0.00 0.14 4.19 9.92 -0.18 -1.26 116.55 125.04 3i04 n ASP 552 Ca -0.02 -0.05 0.19 0.00 -0.53 0.00 0.00 54.79 54.38 3i04 n ASP 552 Cb 0.25 -0.14 0.77 0.00 -0.64 0.00 0.00 41.12 41.36 3i04 n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3i04 h ASN 553 N 0.00 0.00 -0.55 -2.24 2.35 -1.10 -0.70 115.58 113.34 3i04 h ASN 553 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3i04 h ASN 553 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3i04 h ASN 553 CO 0.00 0.00 0.36 0.77 -1.65 0.00 0.00 177.43 176.91 3i04 h SER 554 N 0.00 0.45 -0.63 5.81 4.64 -1.40 -1.93 113.55 120.49 3i04 h SER 554 Ca 0.15 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3i04 h SER 554 Cb 0.88 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3i04 h SER 554 CO -0.00 0.30 0.32 0.03 -0.87 0.00 0.00 176.83 176.61 3i04 h ARG 555 N 0.52 0.89 -0.26 4.77 3.08 -1.36 -0.74 114.38 121.28 3i04 h ARG 555 Ca 0.23 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3i04 h ARG 555 Cb 0.27 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i04 h ARG 555 CO -0.06 0.70 -0.01 0.00 -1.07 0.00 0.00 179.97 179.52 3i04 h ALA 556 N 1.15 1.50 -0.36 0.04 0.00 -1.43 0.73 119.26 120.90 3i04 h ALA 556 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 556 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i04 h ALA 556 CO -0.03 0.36 0.07 0.28 0.00 0.00 0.00 179.25 179.92 3i04 h VAL 557 N 0.38 1.23 -0.99 0.00 2.07 -1.03 0.43 116.25 118.35 3i04 h VAL 557 Ca 0.08 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 66.90 3i04 h VAL 557 Cb 0.27 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3i04 h VAL 557 CO 0.01 0.27 0.63 0.44 0.02 0.00 0.00 177.57 178.94 3i04 h ASP 558 N 0.42 0.94 0.22 0.57 3.32 -0.32 0.20 116.42 121.76 3i04 h ASP 558 Ca 0.11 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3i04 h ASP 558 Cb 0.34 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3i04 h ASP 558 CO 0.01 0.53 -0.10 0.25 -1.72 0.00 0.00 179.24 178.20 3i04 h LEU 559 N 1.02 -0.25 -0.79 1.55 5.85 -0.61 -1.48 115.31 120.61 3i04 h LEU 559 Ca 0.47 -0.19 0.16 0.00 0.84 0.00 0.00 57.88 59.15 3i04 h LEU 559 Cb 0.40 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 3i04 h LEU 559 CO -0.23 0.07 -0.20 0.25 -0.34 0.00 0.00 178.44 177.99 3i04 h LEU 560 N -0.58 -0.75 -0.46 2.25 5.85 -0.55 -0.57 115.31 120.50 3i04 h LEU 560 Ca -0.03 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3i04 h LEU 560 Cb 0.43 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3i04 h LEU 560 CO 0.05 -0.26 0.09 0.24 -0.34 0.00 0.00 178.44 178.22 3i04 h MET 561 N -0.00 0.75 -0.99 1.25 2.86 -0.50 -0.79 114.93 117.50 3i04 h MET 561 Ca 0.38 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3i04 h MET 561 Cb 0.58 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 3i04 h MET 561 CO -0.81 0.75 0.66 0.00 1.06 0.00 0.00 176.91 178.57 3i04 h ALA 562 N 0.96 1.28 -0.22 6.32 0.00 -1.05 -1.48 119.26 125.07 3i04 h ALA 562 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 562 Cb 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i04 h ALA 562 CO 0.01 0.61 0.14 0.52 0.00 0.00 0.00 179.25 180.53 3i04 h MET 563 N 1.31 0.29 -0.72 0.00 2.07 -0.76 -2.17 114.93 114.95 3i04 h MET 563 Ca 0.37 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.93 3i04 h MET 563 Cb -0.10 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 3i04 h MET 563 CO -0.09 0.21 0.25 0.00 1.07 0.00 0.00 176.91 178.35 3i04 h ALA 564 N 1.06 0.94 -0.56 6.32 0.00 -0.91 -1.80 119.26 124.31 3i04 h ALA 564 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3i04 h ALA 564 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i04 h ALA 564 CO -0.02 0.60 -0.04 -0.91 0.00 0.00 0.00 179.25 178.88 3i04 h ASN 565 N 1.06 0.98 -0.33 0.00 2.35 -1.19 -0.38 115.58 118.07 3i04 h ASN 565 Ca 0.24 -0.29 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 3i04 h ASN 565 Cb 0.27 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i04 h ASN 565 CO -0.01 1.06 -0.48 -0.78 -1.65 0.00 0.00 177.43 175.57 3i04 h ASP 566 N 0.91 0.99 0.56 5.81 1.82 -1.21 -2.30 116.42 122.99 3i04 h ASP 566 Ca 0.16 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 3i04 h ASP 566 Cb 0.59 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.32 3i04 h ASP 566 CO 0.04 1.30 0.00 0.18 -1.61 0.00 0.00 179.24 179.15 3i04 n LEU 567 N -4.04 0.62 -2.81 2.28 4.77 -0.69 -4.91 117.00 112.22 3i04 n LEU 567 Ca -0.04 0.68 -0.18 0.00 -0.03 0.00 0.00 56.01 56.44 3i04 n LEU 567 Cb 0.60 -0.63 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3i04 n LEU 567 CO 0.50 -0.63 0.17 0.61 -1.33 0.00 0.00 177.39 176.70 3i04 n GLY 568 N -0.29 -0.20 3.26 -0.72 0.00 -0.31 -5.03 105.19 101.89 3i04 n GLY 568 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3i04 n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i04 s VAL 569 N -3.22 0.62 0.63 1.61 -7.23 -0.31 -5.03 120.40 107.47 3i04 s VAL 569 Ca 0.42 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 3i04 s VAL 569 Cb -0.19 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 3i04 s VAL 569 CO 0.53 -0.35 1.02 -0.62 -0.31 0.00 0.00 175.10 175.37 3i04 s ASP 570 N -3.21 6.05 0.50 4.85 3.68 -1.26 -4.39 116.67 122.89 3i04 s ASP 570 Ca 0.28 1.30 0.18 0.00 2.13 0.00 0.00 52.55 56.43 3i04 s ASP 570 Cb 0.07 -2.32 1.25 0.00 -1.45 0.00 0.00 42.92 40.47 3i04 s ASP 570 CO 0.07 -0.95 2.08 0.71 0.13 0.00 0.00 175.17 177.20 3i04 h THR 571 N -0.34 0.92 0.00 1.71 1.35 -1.90 -2.76 112.91 111.88 3i04 h THR 571 Ca -0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3i04 h THR 571 Cb 1.21 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3i04 h THR 571 CO 0.62 0.02 0.00 -2.65 -0.25 0.00 0.00 175.52 173.26 3i04 n PRO 572 N -4.48 0.06 0.00 4.72 -0.02 -1.23 -1.43 135.00 132.62 3i04 n PRO 572 Ca 0.03 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3i04 n PRO 572 Cb 0.28 -1.70 0.07 0.00 -0.02 0.00 0.00 33.50 32.13 3i04 n PRO 572 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i04 n LYS 573 N -1.83 1.46 -3.03 -0.52 5.02 -1.04 -4.93 118.16 113.28 3i04 n LYS 573 Ca -0.00 -1.17 -0.40 0.00 -2.02 0.00 0.00 58.31 54.71 3i04 n LYS 573 Cb 0.03 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 3i04 n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i04 s VAL 574 N -2.35 5.00 -1.20 -0.18 1.01 -0.52 -4.85 120.40 117.31 3i04 s VAL 574 Ca 0.22 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.39 3i04 s VAL 574 Cb 0.19 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3i04 s VAL 574 CO 0.50 0.16 1.87 -2.84 0.00 0.00 0.00 175.10 174.79 3i04 s PRO 575 N 1.40 2.95 -0.08 2.72 0.02 -1.26 -4.81 135.00 135.94 3i04 s PRO 575 Ca 0.35 -1.35 -0.03 0.00 0.02 0.00 0.00 61.00 59.99 3i04 s PRO 575 Cb -0.17 -5.32 0.04 0.00 0.02 0.00 0.00 34.50 29.08 3i04 s PRO 575 CO 0.15 -3.42 0.17 0.12 -0.33 0.00 0.00 177.00 173.69 3i04 s PHE 576 N 8.90 -0.21 0.02 6.54 5.36 -1.26 -1.50 117.98 135.83 3i04 s PHE 576 Ca 0.64 0.60 0.06 0.00 -0.96 0.00 0.00 56.93 57.26 3i04 s PHE 576 Cb 0.00 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.55 3i04 s PHE 576 CO 0.10 -0.22 -0.17 0.08 -1.46 0.00 0.00 175.22 173.55 3i04 s VAL 577 N 1.58 1.35 0.10 3.12 1.01 -0.49 -4.26 120.40 122.81 3i04 s VAL 577 Ca -0.05 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3i04 s VAL 577 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3i04 s VAL 577 CO -0.06 0.20 0.10 0.00 0.00 0.00 0.00 175.10 175.33 3i04 s ALA 578 N -0.67 3.60 -0.07 5.51 0.00 -0.52 -1.35 121.76 128.26 3i04 s ALA 578 Ca 0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 3i04 s ALA 578 Cb -0.08 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.64 3i04 s ALA 578 CO 0.01 0.70 0.16 0.45 0.00 0.00 0.00 175.76 177.08 3i04 s SER 579 N -2.54 -0.13 -0.64 0.00 0.15 0.11 -0.42 113.70 110.23 3i04 s SER 579 Ca 0.30 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.32 3i04 s SER 579 Cb -0.12 0.22 0.16 0.00 -1.71 0.00 0.00 66.02 64.57 3i04 s SER 579 CO 0.23 -0.15 0.43 0.00 1.20 0.00 0.00 173.24 174.95 3i04 s ALA 580 N 1.17 3.50 0.38 5.45 0.00 0.12 -0.53 121.76 131.83 3i04 s ALA 580 Ca -0.09 -3.59 0.37 0.00 0.00 0.00 0.00 51.96 48.64 3i04 s ALA 580 Cb -0.11 -2.12 1.79 0.00 0.00 0.00 0.00 23.12 22.68 3i04 s ALA 580 CO -0.06 -2.07 2.15 -1.35 0.00 0.00 0.00 175.76 174.42 3i04 h PRO 581 N 5.68 0.00 -0.77 0.00 0.11 -1.83 -0.86 132.00 134.33 3i04 h PRO 581 Ca 0.10 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.86 3i04 h PRO 581 Cb 0.80 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.50 3i04 h PRO 581 CO 0.68 0.03 -1.06 0.39 -0.21 0.00 0.00 178.00 177.82 3i04 n GLU 582 N -3.19 1.98 -2.04 1.05 1.02 -1.26 -3.71 120.64 114.48 3i04 n GLU 582 Ca -0.01 -3.62 -0.39 0.00 -0.02 0.00 0.00 57.16 53.11 3i04 n GLU 582 Cb 0.21 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3i04 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i04 s ALA 583 N -3.53 3.24 0.03 0.62 0.00 -1.17 -2.66 121.76 118.29 3i04 s ALA 583 Ca 0.32 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3i04 s ALA 583 Cb 0.39 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3i04 s ALA 583 CO -0.02 -0.85 0.00 -0.12 0.00 0.00 0.00 175.76 174.77 3i04 n MET 584 N 0.08 0.00 -1.10 0.00 0.00 -1.26 -4.67 117.12 110.16 3i04 n MET 584 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.44 3i04 n MET 584 Cb 0.44 -0.11 0.13 0.00 0.00 0.00 0.00 33.22 33.68 3i04 n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3i04 s SER 585 N -5.02 3.66 0.34 6.12 1.04 -1.26 -4.90 113.70 113.67 3i04 s SER 585 Ca 0.00 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.19 3i04 s SER 585 Cb 0.00 -2.39 0.60 0.00 0.10 0.00 0.00 66.02 64.33 3i04 s SER 585 CO 0.00 -2.56 1.97 1.23 0.98 0.00 0.00 173.24 174.86 3i04 h GLY 586 N -1.49 0.86 0.62 7.32 0.00 -1.94 -2.39 103.07 106.04 3i04 h GLY 586 Ca -0.47 -0.36 0.08 0.00 0.00 0.00 0.00 47.33 46.58 3i04 h GLY 586 CO 0.51 0.35 0.45 0.50 0.00 0.00 0.00 176.54 178.35 3i04 h LYS 587 N 0.81 0.78 -0.14 4.80 1.57 -1.82 0.71 116.57 123.28 3i04 h LYS 587 Ca 0.21 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3i04 h LYS 587 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3i04 h LYS 587 CO -0.04 0.51 -0.44 0.00 -0.57 0.00 0.00 179.45 178.92 3i04 h ALA 588 N 1.41 1.00 -0.09 3.86 0.00 -1.83 -0.51 119.26 123.10 3i04 h ALA 588 Ca 0.36 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 588 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 588 CO -0.21 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.72 3i04 h ALA 589 N 1.27 0.11 -0.29 0.00 0.00 -0.79 -0.89 119.26 118.67 3i04 h ALA 589 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 589 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3i04 h ALA 589 CO 0.07 -0.37 0.18 0.00 0.00 0.00 0.00 179.25 179.14 3i04 h ALA 590 N 0.98 0.37 -0.33 0.00 0.00 -0.67 -2.30 119.26 117.31 3i04 h ALA 590 Ca 0.03 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 590 Cb 0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3i04 h ALA 590 CO -0.01 -0.15 -0.21 0.82 0.00 0.00 0.00 179.25 179.70 3i04 h ILE 591 N 0.38 0.41 -0.76 0.00 2.04 -1.06 -0.53 117.51 117.99 3i04 h ILE 591 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3i04 h ILE 591 Cb -0.02 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 3i04 h ILE 591 CO -0.02 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.86 3i04 h GLY 592 N -0.18 1.00 1.19 5.37 0.00 -1.06 -1.62 103.07 107.79 3i04 h GLY 592 Ca 0.17 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 3i04 h GLY 592 CO -0.43 0.20 -0.63 -0.84 0.00 0.00 0.00 176.54 174.84 3i04 h THR 593 N 0.74 1.28 0.00 4.70 2.02 -0.77 -2.43 112.91 118.45 3i04 h THR 593 Ca 0.34 -1.82 -0.06 0.00 0.77 0.00 0.00 66.41 65.64 3i04 h THR 593 Cb 0.37 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3i04 h THR 593 CO -0.12 0.59 -0.31 4.11 0.37 0.00 0.00 175.52 180.16 3i04 h TRP 594 N 0.62 0.00 -0.33 3.16 5.08 -0.60 -2.18 115.95 121.70 3i04 h TRP 594 Ca -0.01 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.89 3i04 h TRP 594 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3i04 h TRP 594 CO 0.08 0.31 -0.08 -1.49 -1.28 0.00 0.00 178.44 175.97 3i04 h TRP 595 N 0.00 0.72 -0.58 0.12 -0.00 -1.08 -0.04 115.95 115.09 3i04 h TRP 595 Ca -0.00 -0.16 0.07 0.00 -0.00 0.00 0.00 58.89 58.80 3i04 h TRP 595 Cb 0.86 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.16 29.78 3i04 h TRP 595 CO 0.00 0.81 0.26 0.28 -0.00 0.00 0.00 178.44 179.79 3i04 h VAL 596 N 0.42 0.87 -0.10 1.49 2.07 -1.31 -2.04 116.25 117.65 3i04 h VAL 596 Ca 0.08 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3i04 h VAL 596 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3i04 h VAL 596 CO 0.03 0.09 -0.21 0.28 0.02 0.00 0.00 177.57 177.79 3i04 h SER 597 N 0.49 0.15 -0.14 0.57 0.02 -0.99 -2.13 113.55 111.53 3i04 h SER 597 Ca 0.27 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3i04 h SER 597 Cb 0.26 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3i04 h SER 597 CO -0.23 0.37 0.00 0.18 -1.14 0.00 0.00 176.83 176.01 3i04 n LEU 598 N -4.23 1.12 0.00 5.07 4.77 -0.06 -4.90 117.00 118.77 3i04 n LEU 598 Ca -0.01 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3i04 n LEU 598 Cb 0.31 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i04 n LEU 598 CO 0.38 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3i04 n GLY 599 N 0.98 0.95 3.41 -0.72 0.00 -0.80 -4.72 105.19 104.29 3i04 n GLY 599 Ca 0.14 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3i04 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 600 N -2.00 2.84 0.27 1.61 1.01 -0.80 -3.49 120.40 119.84 3i04 s VAL 600 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 3i04 s VAL 600 Cb 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 3i04 s VAL 600 CO 0.00 0.57 1.52 -2.84 0.00 0.00 0.00 175.10 174.35 3i04 s PRO 601 N -0.37 4.20 -0.29 2.72 0.02 -1.26 -2.66 135.00 137.36 3i04 s PRO 601 Ca 0.04 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 3i04 s PRO 601 Cb -0.12 -3.07 0.09 0.00 0.02 0.00 0.00 34.50 31.42 3i04 s PRO 601 CO 0.02 -0.53 0.07 0.99 -0.33 0.00 0.00 177.00 177.23 3i04 s THR 602 N 0.00 0.94 0.17 0.99 2.01 0.11 -1.44 115.64 118.42 3i04 s THR 602 Ca 0.61 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 3i04 s THR 602 Cb -0.45 -1.62 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 3i04 s THR 602 CO 0.45 -0.55 1.15 -2.28 -0.69 0.00 0.00 174.62 172.71 3i04 s HIS 603 N 1.60 3.50 -0.08 4.92 2.46 0.44 -1.00 115.29 127.14 3i04 s HIS 603 Ca 0.07 1.49 0.03 0.00 0.47 0.00 0.00 55.06 57.11 3i04 s HIS 603 Cb -0.17 -3.36 0.01 0.00 -0.13 0.00 0.00 32.58 28.92 3i04 s HIS 603 CO -0.20 -0.95 -0.16 0.08 -2.47 0.00 0.00 174.74 171.04 3i04 s VAL 604 N -0.00 1.47 -2.10 0.89 1.01 0.40 -0.70 120.40 121.36 3i04 s VAL 604 Ca 0.52 -0.67 0.18 0.00 0.00 0.00 0.00 61.98 62.01 3i04 s VAL 604 Cb -0.31 -1.31 0.45 0.00 0.00 0.00 0.00 36.38 35.21 3i04 s VAL 604 CO 0.35 0.43 1.41 0.61 0.00 0.00 0.00 175.10 177.90 3i04 n GLY 605 N 3.78 1.27 3.00 4.51 0.00 -0.34 -2.57 105.19 114.84 3i04 n GLY 605 Ca -0.21 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 3i04 n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i04 s THR 606 N -1.41 0.11 -0.18 2.61 -4.23 -1.26 -4.27 115.64 107.01 3i04 s THR 606 Ca 0.35 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.81 3i04 s THR 606 Cb 0.18 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.69 3i04 s THR 606 CO 0.25 -0.48 0.43 -0.32 -0.54 0.00 0.00 174.62 173.95 3i04 s MET 607 N -1.46 4.22 0.80 3.99 1.75 -1.26 -4.90 119.30 122.44 3i04 s MET 607 Ca -0.16 0.28 -0.12 0.00 -1.25 0.00 0.00 55.69 54.45 3i04 s MET 607 Cb -0.10 -3.51 0.07 0.00 2.84 0.00 0.00 34.83 34.14 3i04 s MET 607 CO -0.01 0.01 1.16 -2.14 -0.65 0.00 0.00 175.02 173.40 3i04 s PRO 608 N 1.13 2.09 -1.17 4.11 0.02 -1.26 -4.90 135.00 135.02 3i04 s PRO 608 Ca 0.21 0.18 -0.18 0.00 0.02 0.00 0.00 61.00 61.23 3i04 s PRO 608 Cb -0.15 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 3i04 s PRO 608 CO 0.08 -1.52 2.01 -0.35 -0.33 0.00 0.00 177.00 176.89 3i04 n PRO 609 N -3.28 2.29 0.00 5.54 -0.04 -1.26 -4.37 135.00 133.88 3i04 n PRO 609 Ca 0.08 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 3i04 n PRO 609 Cb 0.60 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 3i04 n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i04 n VAL 610 N 5.95 0.00 0.26 0.52 0.24 -1.23 -3.78 118.33 120.29 3i04 n VAL 610 Ca 0.50 -0.22 0.15 0.00 -2.04 0.00 0.00 64.34 62.72 3i04 n VAL 610 Cb 0.42 0.92 0.60 0.00 -1.47 0.00 0.00 33.84 34.30 3i04 n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3i04 h GLU 611 N 0.00 0.00 0.00 7.34 5.08 -1.76 -2.84 114.58 122.41 3i04 h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i04 h GLU 611 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i04 h GLU 611 CO 0.00 0.08 0.09 0.41 -1.00 0.00 0.00 179.01 178.59 3i04 n GLY 612 N 0.08 -0.71 2.94 -3.84 0.00 0.34 -4.35 105.19 99.66 3i04 n GLY 612 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i04 n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i04 s SER 613 N -3.63 3.39 0.26 1.61 0.15 -1.07 -4.88 113.70 109.53 3i04 s SER 613 Ca -0.02 -0.92 -0.04 0.00 0.70 0.00 0.00 55.95 55.67 3i04 s SER 613 Cb 0.04 -1.11 0.31 0.00 -1.71 0.00 0.00 66.02 63.55 3i04 s SER 613 CO 0.14 -0.19 1.83 0.44 1.20 0.00 0.00 173.24 176.65 3i04 h ASP 614 N 8.01 0.93 0.31 5.45 3.32 -1.84 -0.69 116.42 131.91 3i04 h ASP 614 Ca -0.23 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3i04 h ASP 614 Cb 1.09 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 3i04 h ASP 614 CO 0.43 0.84 -0.17 0.25 -1.72 0.00 0.00 179.24 178.87 3i04 h LEU 615 N 0.99 -0.41 -0.31 1.55 6.46 -1.94 -0.78 115.31 120.86 3i04 h LEU 615 Ca 0.23 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3i04 h LEU 615 Cb 0.21 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3i04 h LEU 615 CO -0.02 -0.28 0.13 0.40 -0.62 0.00 0.00 178.44 178.05 3i04 h ILE 616 N -0.45 1.18 -0.78 4.05 1.08 -1.87 -1.91 117.51 118.80 3i04 h ILE 616 Ca -0.04 -0.54 0.10 0.00 -0.39 0.00 0.00 64.86 63.99 3i04 h ILE 616 Cb 0.36 0.95 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 3i04 h ILE 616 CO 0.05 0.19 0.42 0.22 -0.69 0.00 0.00 178.15 178.34 3i04 h TYR 617 N 0.36 0.76 -0.17 1.37 5.03 -1.09 -0.63 116.97 122.59 3i04 h TYR 617 Ca 0.10 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.31 3i04 h TYR 617 Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 3i04 h TYR 617 CO -0.01 0.29 -0.48 1.03 -1.32 0.00 0.00 178.16 177.67 3i04 h SER 618 N 0.70 0.49 -0.34 -2.11 0.87 -0.78 -1.88 113.55 110.50 3i04 h SER 618 Ca 0.39 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3i04 h SER 618 Cb 0.39 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3i04 h SER 618 CO -0.27 0.90 0.18 0.40 -0.53 0.00 0.00 176.83 177.51 3i04 h ILE 619 N 0.36 1.14 -0.56 2.23 2.04 -0.55 0.19 117.51 122.37 3i04 h ILE 619 Ca 0.02 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 3i04 h ILE 619 Cb 0.98 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3i04 h ILE 619 CO 0.09 0.15 0.01 -0.07 0.00 0.00 0.00 178.15 178.32 3i04 h LEU 620 N 0.42 0.92 0.00 1.44 3.38 -1.03 -0.89 115.31 119.56 3i04 h LEU 620 Ca 0.12 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3i04 h LEU 620 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3i04 h LEU 620 CO -0.02 0.97 -2.06 0.35 0.09 0.00 0.00 178.44 177.78 3i04 n THR 621 N -4.20 0.55 0.06 0.22 -2.24 -0.72 -1.82 114.28 106.14 3i04 n THR 621 Ca 0.03 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3i04 n THR 621 Cb 0.32 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3i04 n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n GLN 622 N -2.40 0.00 0.12 -0.78 6.02 0.53 -4.56 117.38 116.31 3i04 n GLN 622 Ca -0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.82 3i04 n GLN 622 Cb 0.77 -0.41 0.21 0.00 1.02 0.00 0.00 30.24 31.83 3i04 n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3i04 h ILE 623 N 0.00 1.36 -0.86 5.09 1.08 -1.15 -2.01 117.51 121.02 3i04 h ILE 623 Ca 0.00 -1.78 0.14 0.00 -0.39 0.00 0.00 64.86 62.83 3i04 h ILE 623 Cb 0.06 1.91 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 3i04 h ILE 623 CO 0.00 0.52 0.56 0.00 -0.69 0.00 0.00 178.15 178.54 3i04 h ALA 624 N 1.39 1.87 0.00 1.87 0.00 -1.38 0.05 119.26 123.05 3i04 h ALA 624 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 624 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i04 h ALA 624 CO 0.07 -0.10 -0.21 0.66 0.00 0.00 0.00 179.25 179.68 3i04 h SER 625 N 0.65 0.00 0.55 0.00 4.64 -1.06 0.76 113.55 119.08 3i04 h SER 625 Ca 0.43 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.46 3i04 h SER 625 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3i04 h SER 625 CO -0.19 0.21 -1.44 0.44 -0.87 0.00 0.00 176.83 174.98 3i04 h ASP 626 N 0.00 0.31 0.00 4.97 3.32 -1.10 -3.06 116.42 120.87 3i04 h ASP 626 Ca -0.00 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 56.46 3i04 h ASP 626 Cb 0.50 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3i04 h ASP 626 CO 0.03 1.34 -1.10 0.52 -1.72 0.00 0.00 179.24 178.32 3i04 n VAL 627 N -3.42 1.50 -0.10 -1.35 0.31 -0.46 -4.67 118.33 110.14 3i04 n VAL 627 Ca -0.13 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 3i04 n VAL 627 Cb 1.03 -2.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.67 3i04 n VAL 627 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i04 n TYR 628 N -4.48 0.15 0.00 3.52 4.02 0.25 -5.00 117.16 115.63 3i04 n TYR 628 Ca -0.25 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3i04 n TYR 628 Cb 0.56 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3i04 n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i04 n GLY 629 N 1.94 2.65 4.01 2.72 0.00 -0.39 -4.38 105.19 111.74 3i04 n GLY 629 Ca -0.37 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 3i04 n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i04 s GLY 630 N -2.66 1.90 -0.10 -0.02 0.00 -1.21 -4.51 107.32 100.72 3i04 s GLY 630 Ca 0.00 -1.73 -0.32 0.00 0.00 0.00 0.00 44.72 42.66 3i04 s GLY 630 CO 0.00 -1.49 1.09 -2.52 0.00 0.00 0.00 173.10 170.18 3i04 s TYR 631 N -2.44 -0.20 -0.01 1.90 -0.85 -1.09 -2.53 117.35 112.14 3i04 s TYR 631 Ca 0.56 0.11 -0.23 0.00 -0.52 0.00 0.00 57.07 56.99 3i04 s TYR 631 Cb -0.09 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 3i04 s TYR 631 CO 0.34 -0.35 0.69 -0.06 -1.52 0.00 0.00 175.55 174.66 3i04 s PHE 632 N -2.69 3.66 -0.40 -3.49 0.40 -0.76 0.10 117.98 114.79 3i04 s PHE 632 Ca 0.08 1.30 -0.09 0.00 -0.60 0.00 0.00 56.93 57.63 3i04 s PHE 632 Cb -0.01 -2.75 0.07 0.00 0.51 0.00 0.00 43.02 40.84 3i04 s PHE 632 CO -0.06 0.22 0.23 0.42 0.70 0.00 0.00 175.22 176.74 3i04 s ILE 633 N 0.23 4.14 -0.36 0.64 1.01 -0.17 -4.52 121.20 122.17 3i04 s ILE 633 Ca 0.36 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 3i04 s ILE 633 Cb -0.19 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3i04 s ILE 633 CO 0.19 -0.45 0.30 -0.36 0.00 0.00 0.00 174.94 174.62 3i04 s PHE 634 N 1.41 3.22 -0.28 3.97 2.99 -1.26 -0.45 117.98 127.58 3i04 s PHE 634 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 56.93 56.67 3i04 s PHE 634 Cb -0.22 -2.58 0.15 0.00 0.00 0.00 0.00 43.02 40.38 3i04 s PHE 634 CO 0.02 -0.45 0.54 -2.00 -0.00 0.00 0.00 175.22 173.34 3i04 s GLU 635 N 1.82 0.50 0.30 0.44 2.56 -1.06 -3.63 118.70 119.62 3i04 s GLU 635 Ca 0.08 1.01 0.23 0.00 0.00 0.00 0.00 54.97 56.28 3i04 s GLU 635 Cb -0.17 0.39 0.18 0.00 2.00 0.00 0.00 34.13 36.52 3i04 s GLU 635 CO 0.11 -0.50 1.31 0.52 -0.56 0.00 0.00 175.26 176.15 3i04 h MET 636 N 8.06 0.00 -5.88 4.30 2.86 -1.82 -3.37 114.93 119.08 3i04 h MET 636 Ca -0.20 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.83 3i04 h MET 636 Cb 1.14 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 3i04 h MET 636 CO 0.21 0.00 0.57 0.34 1.06 0.00 0.00 176.91 179.09 3i04 s ASP 637 N -5.66 6.35 0.51 1.22 3.68 -1.26 -4.94 116.67 116.57 3i04 s ASP 637 Ca 0.03 -0.32 0.25 0.00 2.13 0.00 0.00 52.55 54.64 3i04 s ASP 637 Cb 0.08 -2.44 1.38 0.00 -1.45 0.00 0.00 42.92 40.49 3i04 s ASP 637 CO 0.73 -1.22 2.06 1.55 0.13 0.00 0.00 175.17 178.43 3i04 h PRO 638 N 9.30 0.00 -0.13 4.34 0.13 -1.92 0.20 132.00 143.92 3i04 h PRO 638 Ca -0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 3i04 h PRO 638 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i04 h PRO 638 CO 1.08 0.13 -0.50 0.37 -0.23 0.00 0.00 178.00 178.86 3i04 h GLN 639 N 0.00 0.57 -0.48 0.86 5.75 -1.92 -0.39 115.11 119.50 3i04 h GLN 639 Ca -0.00 -0.44 -0.03 0.00 -0.15 0.00 0.00 58.65 58.04 3i04 h GLN 639 Cb 0.33 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3i04 h GLN 639 CO 0.02 1.06 0.20 0.28 -2.65 0.00 0.00 178.83 177.74 3i04 h VAL 640 N 0.20 1.21 -0.35 2.39 2.07 -1.71 -2.77 116.25 117.29 3i04 h VAL 640 Ca -0.02 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3i04 h VAL 640 Cb 1.13 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3i04 h VAL 640 CO 0.10 0.24 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 3i04 h ALA 641 N 1.04 0.12 -0.73 1.67 0.00 -0.56 0.73 119.26 121.53 3i04 h ALA 641 Ca 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3i04 h ALA 641 Cb 0.18 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3i04 h ALA 641 CO -0.01 -0.54 0.38 0.00 0.00 0.00 0.00 179.25 179.08 3i04 h ALA 642 N 1.17 1.28 -0.62 0.00 0.00 -0.98 0.02 119.26 120.14 3i04 h ALA 642 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 642 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i04 h ALA 642 CO -0.42 0.57 0.08 -0.09 0.00 0.00 0.00 179.25 179.39 3i04 h ARG 643 N 1.03 1.04 -0.08 0.00 2.43 -1.15 -1.18 114.38 116.47 3i04 h ARG 643 Ca 0.26 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3i04 h ARG 643 Cb 0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3i04 h ARG 643 CO -0.04 0.98 -0.30 0.87 -1.51 0.00 0.00 179.97 179.97 3i04 h LYS 644 N 0.94 0.15 -0.44 0.20 1.57 -0.43 -1.25 116.57 117.32 3i04 h LYS 644 Ca 0.19 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3i04 h LYS 644 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3i04 h LYS 644 CO 0.02 0.44 -0.10 0.82 -0.57 0.00 0.00 179.45 180.06 3i04 h ILE 645 N 0.14 1.27 -0.27 1.86 2.04 -0.76 -1.52 117.51 120.27 3i04 h ILE 645 Ca 0.02 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.58 3i04 h ILE 645 Cb 0.60 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3i04 h ILE 645 CO 0.04 0.41 -0.26 -0.07 0.00 0.00 0.00 178.15 178.28 3i04 h LEU 646 N 0.68 0.53 -0.74 1.44 3.38 -1.08 -1.17 115.31 118.35 3i04 h LEU 646 Ca 0.11 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i04 h LEU 646 Cb 0.63 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3i04 h LEU 646 CO 0.04 0.77 0.48 0.44 0.09 0.00 0.00 178.44 180.26 3i04 h ASP 647 N 0.46 0.81 -0.12 -0.43 3.32 -1.06 0.12 116.42 119.52 3i04 h ASP 647 Ca 0.07 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 3i04 h ASP 647 Cb 0.69 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3i04 h ASP 647 CO 0.05 0.57 -0.55 0.00 -1.72 0.00 0.00 179.24 177.59 3i04 h ALA 648 N 1.29 0.58 -0.22 3.45 0.00 -0.79 -0.80 119.26 122.77 3i04 h ALA 648 Ca 0.28 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3i04 h ALA 648 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 648 CO -0.08 0.69 0.05 -0.07 0.00 0.00 0.00 179.25 179.84 3i04 h LEU 649 N 0.54 0.34 -0.47 0.00 3.38 -1.21 -3.09 115.31 114.81 3i04 h LEU 649 Ca 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3i04 h LEU 649 Cb 1.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3i04 h LEU 649 CO 0.11 0.48 0.18 -0.08 0.09 0.00 0.00 178.44 179.22 3i04 h GLU 650 N 0.18 0.70 -0.82 1.13 4.22 -0.84 -0.54 114.58 118.61 3i04 h GLU 650 Ca 0.07 -0.13 0.19 0.00 0.08 0.00 0.00 59.36 59.57 3i04 h GLU 650 Cb 0.27 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.26 3i04 h GLU 650 CO 0.00 0.64 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.50 3i04 h TYR 651 N 0.61 -0.16 0.09 0.92 3.20 -1.21 0.23 116.97 120.65 3i04 h TYR 651 Ca 0.15 0.06 -0.27 0.00 3.14 0.00 0.00 58.73 61.82 3i04 h TYR 651 Cb 0.21 0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.69 3i04 h TYR 651 CO 0.00 -0.31 -1.17 0.00 -1.64 0.00 0.00 178.16 175.05 3i04 h ARG 652 N 0.06 0.45 -0.10 1.82 3.08 -1.22 -1.09 114.38 117.37 3i04 h ARG 652 Ca 0.44 -0.61 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 3i04 h ARG 652 Cb 0.78 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3i04 h ARG 652 CO -0.77 1.25 -0.60 1.79 -1.07 0.00 0.00 179.97 180.57 3i04 h THR 653 N 0.19 1.37 -0.10 2.04 1.35 -0.99 -1.67 112.91 115.10 3i04 h THR 653 Ca -0.14 -1.95 -0.00 0.00 -0.55 0.00 0.00 66.41 63.77 3i04 h THR 653 Cb 1.84 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 70.22 3i04 h THR 653 CO 0.21 0.58 0.05 -0.25 -0.25 0.00 0.00 175.52 175.86 3i04 h TRP 654 N 0.25 0.15 -0.26 4.73 7.01 -0.44 -1.85 115.95 125.54 3i04 h TRP 654 Ca -0.01 -0.01 -0.18 0.00 2.11 0.00 0.00 58.89 60.81 3i04 h TRP 654 Cb 1.12 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.14 3i04 h TRP 654 CO 0.03 0.21 -0.56 -0.22 -2.79 0.00 0.00 178.44 175.12 3i04 h LYS 655 N 0.04 0.79 -0.93 2.65 3.64 -1.16 -0.86 116.57 120.74 3i04 h LYS 655 Ca 0.03 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3i04 h LYS 655 Cb 0.12 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3i04 h LYS 655 CO -0.00 1.13 0.55 1.25 -2.27 0.00 0.00 179.45 180.11 3i04 h LEU 656 N 0.61 1.12 -0.04 5.20 6.46 -1.32 0.14 115.31 127.48 3i04 h LEU 656 Ca 0.01 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3i04 h LEU 656 Cb 1.15 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3i04 h LEU 656 CO 0.12 0.87 -0.01 1.23 -0.62 0.00 0.00 178.44 180.03 3i04 h GLY 657 N 1.29 0.08 0.59 3.75 0.00 -1.04 -1.72 103.07 106.01 3i04 h GLY 657 Ca 0.33 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.65 3i04 h GLY 657 CO -0.06 0.06 0.11 -2.08 0.00 0.00 0.00 176.54 174.57 3i04 h VAL 658 N -0.29 0.84 -0.83 4.60 2.07 -0.97 -2.56 116.25 119.12 3i04 h VAL 658 Ca 0.01 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3i04 h VAL 658 Cb 0.40 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3i04 h VAL 658 CO 0.00 0.05 0.55 0.45 0.02 0.00 0.00 177.57 178.64 3i04 h HIS 659 N 0.26 1.05 -0.85 1.57 -0.00 -0.62 -0.95 115.15 115.61 3i04 h HIS 659 Ca 0.19 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 3i04 h HIS 659 Cb 0.19 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.21 3i04 h HIS 659 CO -0.17 0.66 0.43 0.87 -0.00 0.00 0.00 177.93 179.72 3i04 h LYS 660 N 1.13 1.22 0.01 2.45 1.57 -1.25 0.23 116.57 121.93 3i04 h LYS 660 Ca 0.30 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 3i04 h LYS 660 Cb -0.13 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 31.97 3i04 h LYS 660 CO -0.07 0.92 -1.01 1.05 -0.57 0.00 0.00 179.45 179.78 3i04 h GLU 661 N 1.21 0.53 -0.55 3.15 4.11 -1.02 -1.97 114.58 120.04 3i04 h GLU 661 Ca 0.29 -0.58 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 3i04 h GLU 661 Cb 0.09 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3i04 h GLU 661 CO -0.04 1.21 0.22 0.28 0.07 0.00 0.00 179.01 180.75 3i04 h VAL 662 N 0.29 1.22 -0.70 -1.06 2.07 -1.11 -0.21 116.25 116.74 3i04 h VAL 662 Ca -0.11 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3i04 h VAL 662 Cb 1.65 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3i04 h VAL 662 CO 0.18 0.26 0.30 0.00 0.02 0.00 0.00 177.57 178.34 3i04 h ALA 663 N 1.07 1.21 -0.18 1.67 0.00 -0.86 -0.83 119.26 121.32 3i04 h ALA 663 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 663 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i04 h ALA 663 CO -0.02 0.59 0.05 1.49 0.00 0.00 0.00 179.25 181.36 3i04 h GLU 664 N 1.01 0.29 -0.72 0.00 4.81 -1.15 0.54 114.58 119.35 3i04 h GLU 664 Ca 0.24 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3i04 h GLU 664 Cb 0.16 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3i04 h GLU 664 CO -0.02 0.41 0.19 -0.09 -0.73 0.00 0.00 179.01 178.76 3i04 h ARG 665 N 0.12 1.15 -0.02 1.92 2.43 -0.74 -3.10 114.38 116.13 3i04 h ARG 665 Ca 0.06 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3i04 h ARG 665 Cb 0.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3i04 h ARG 665 CO -0.00 1.00 -0.36 0.66 -1.51 0.00 0.00 179.97 179.76 3i04 n TYR 666 N -4.23 0.00 -3.23 2.20 4.02 -0.34 -5.02 117.16 110.56 3i04 n TYR 666 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 3i04 n TYR 666 Cb 0.26 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.61 3i04 n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3i04 n GLU 667 N 0.17 -1.84 -4.36 -0.72 1.02 0.07 -5.03 120.64 109.95 3i04 n GLU 667 Ca 0.11 1.06 -0.20 0.00 -0.02 0.00 0.00 57.16 58.11 3i04 n GLU 667 Cb 0.48 -5.62 -0.09 0.00 -0.02 0.00 0.00 31.44 26.18 3i04 n GLU 667 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i04 s THR 668 N -3.25 0.44 0.82 2.62 -4.23 -0.54 -5.05 115.64 106.45 3i04 s THR 668 Ca 0.29 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 3i04 s THR 668 Cb -0.05 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.36 3i04 s THR 668 CO 0.76 0.00 1.10 -1.59 -0.54 0.00 0.00 174.62 174.35 3i04 s LYS 669 N -3.83 1.85 0.13 3.99 -2.85 -1.26 -4.72 119.74 113.06 3i04 s LYS 669 Ca 0.34 1.23 -0.31 0.00 -1.00 0.00 0.00 55.97 56.24 3i04 s LYS 669 Cb 0.05 -1.85 -0.09 0.00 -2.06 0.00 0.00 37.83 33.88 3i04 s LYS 669 CO 0.17 -1.95 1.54 -1.17 0.10 0.00 0.00 175.35 174.04 3i04 s LEU 670 N -6.12 4.37 0.16 2.77 2.96 -1.26 -4.77 118.68 116.78 3i04 s LEU 670 Ca 0.63 2.51 -0.34 0.00 -0.22 0.00 0.00 54.13 56.71 3i04 s LEU 670 Cb -0.19 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.77 3i04 s LEU 670 CO 0.57 -0.80 1.41 0.00 -1.32 0.00 0.00 176.35 176.21 3i04 n GLN 672 N 2.63 2.47 -1.65 0.00 1.13 -1.26 -4.96 117.38 115.74 3i04 n GLN 672 Ca 0.16 -2.23 -0.41 0.00 -1.94 0.00 0.00 57.00 52.58 3i04 n GLN 672 Cb 0.26 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 29.11 3i04 n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i04 n GLY 673 N 1.50 0.10 0.00 1.08 0.00 -1.26 -4.96 105.19 101.65 3i04 n GLY 673 Ca 0.20 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.46 3i04 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60