#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i01 s ARG 3 N 0.00 3.38 0.34 0.54 0.52 -1.26 -4.96 118.95 117.51 3i01 s ARG 3 Ca 0.00 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 3i01 s ARG 3 Cb 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 3i01 s ARG 3 CO 0.00 -0.01 0.58 -0.06 0.02 0.00 0.00 175.30 175.83 3i01 s PHE 4 N 0.96 3.50 0.17 -0.53 0.40 -1.26 -5.01 117.98 116.21 3i01 s PHE 4 Ca -0.01 0.53 -0.15 0.00 -0.60 0.00 0.00 56.93 56.70 3i01 s PHE 4 Cb -0.15 -2.03 0.06 0.00 0.51 0.00 0.00 43.02 41.41 3i01 s PHE 4 CO -0.00 0.10 1.82 -0.09 0.70 0.00 0.00 175.22 177.74 3i01 h ARG 5 N 1.10 0.59 -5.99 0.44 2.43 -1.94 -3.37 114.38 107.65 3i01 h ARG 5 Ca -0.48 -0.04 -0.47 0.00 -0.81 0.00 0.00 59.98 58.18 3i01 h ARG 5 Cb 1.20 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 3i01 h ARG 5 CO 0.64 0.39 1.18 0.34 -1.51 0.00 0.00 179.97 181.01 3i01 s ASP 6 N -5.60 5.46 0.63 -3.80 -1.08 -1.26 -4.84 116.67 106.18 3i01 s ASP 6 Ca -0.13 -0.11 0.39 0.00 -0.52 0.00 0.00 52.55 52.17 3i01 s ASP 6 Cb 0.12 -2.54 2.14 0.00 -1.46 0.00 0.00 42.92 41.18 3i01 s ASP 6 CO 0.73 -2.32 2.30 -0.07 0.52 0.00 0.00 175.17 176.34 3i01 h LEU 7 N 15.99 0.00 0.00 -1.34 3.38 -2.02 0.59 115.31 131.91 3i01 h LEU 7 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3i01 h LEU 7 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3i01 h LEU 7 CO 1.24 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 178.24 3i01 n SER 8 N -3.34 0.00 -4.45 -0.43 3.41 -1.26 -4.67 113.62 102.87 3i01 n SER 8 Ca -0.03 -0.30 -0.44 0.00 -0.26 0.00 0.00 58.87 57.85 3i01 n SER 8 Cb 0.10 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 3i01 n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i01 s HIS 9 N -2.44 2.90 0.10 7.33 5.65 0.21 -5.03 115.29 124.02 3i01 s HIS 9 Ca 0.30 -0.48 0.00 0.00 0.25 0.00 0.00 55.06 55.14 3i01 s HIS 9 Cb 0.19 -3.89 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 3i01 s HIS 9 CO 0.40 -1.27 0.02 0.27 -0.65 0.00 0.00 174.74 173.51 3i01 n ASN 10 N 6.82 2.00 0.02 9.88 0.23 -1.26 -4.50 115.26 128.44 3i01 n ASN 10 Ca -0.04 -1.41 0.10 0.00 -0.53 0.00 0.00 54.58 52.69 3i01 n ASN 10 Cb 0.45 0.05 0.42 0.00 -2.08 0.00 0.00 39.78 38.62 3i01 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i01 s ARG 12 N -3.04 3.55 0.76 0.00 1.81 -1.26 -4.68 118.95 116.08 3i01 s ARG 12 Ca 0.09 -0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 53.74 3i01 s ARG 12 Cb 0.12 -2.83 0.05 0.00 -0.45 0.00 0.00 34.95 31.84 3i01 s ARG 12 CO 0.37 0.41 1.09 -1.25 -0.68 0.00 0.00 175.30 175.23 3i01 s PRO 13 N -3.14 2.36 1.26 3.54 0.04 -1.23 -4.97 135.00 132.87 3i01 s PRO 13 Ca 0.40 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 3i01 s PRO 13 Cb -0.11 -1.91 0.32 0.00 0.04 0.00 0.00 34.50 32.83 3i01 s PRO 13 CO 0.28 -1.56 0.94 -1.13 0.04 0.00 0.00 177.00 175.56 3i01 n SER 14 N -3.38 -2.45 0.00 6.66 3.41 -1.26 -4.91 113.62 111.69 3i01 n SER 14 Ca 0.09 -0.36 0.01 0.00 -0.26 0.00 0.00 58.87 58.35 3i01 n SER 14 Cb 0.53 -1.18 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3i01 n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i01 n GLU 15 N -5.10 0.92 -1.59 4.33 -0.58 -1.26 -4.93 120.64 112.43 3i01 n GLU 15 Ca 0.04 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.40 3i01 n GLU 15 Cb 0.56 -1.05 0.04 0.00 -0.57 0.00 0.00 31.44 30.42 3i01 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i01 n ALA 16 N -0.55 -0.04 -1.47 0.62 0.00 -1.26 -4.93 120.51 112.87 3i01 n ALA 16 Ca 0.02 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 3i01 n ALA 16 Cb 0.01 -2.06 0.06 0.00 0.00 0.00 0.00 19.45 17.46 3i01 n ALA 16 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i01 s PRO 17 N -2.50 2.63 0.08 0.00 0.02 -1.26 -4.93 135.00 129.04 3i01 s PRO 17 Ca 0.72 1.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3i01 s PRO 17 Cb -0.45 -1.92 -0.26 0.00 0.02 0.00 0.00 34.50 31.89 3i01 s PRO 17 CO 0.50 -1.40 1.13 0.00 -0.33 0.00 0.00 177.00 176.91 3i01 h ARG 18 N -0.02 0.20 -4.91 5.54 2.47 -1.94 -3.42 114.38 112.29 3i01 h ARG 18 Ca -0.47 -0.34 -0.67 0.00 -1.26 0.00 0.00 59.98 57.24 3i01 h ARG 18 Cb 1.26 0.13 -0.34 0.00 -1.65 0.00 0.00 29.97 29.36 3i01 h ARG 18 CO 0.53 1.14 -0.78 0.08 0.56 0.00 0.00 179.97 181.50 3i01 s VAL 19 N -2.66 2.50 -0.05 2.04 1.01 -1.26 -4.53 120.40 117.44 3i01 s VAL 19 Ca -0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 3i01 s VAL 19 Cb 0.08 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 3i01 s VAL 19 CO 0.86 0.16 1.84 -0.04 0.00 0.00 0.00 175.10 177.92 3i01 s MET 20 N 1.24 4.00 -0.87 2.72 -1.94 -0.75 -4.37 119.30 119.33 3i01 s MET 20 Ca -0.03 2.28 -0.04 0.00 -1.71 0.00 0.00 55.69 56.19 3i01 s MET 20 Cb -0.17 -4.11 0.00 0.00 2.01 0.00 0.00 34.83 32.56 3i01 s MET 20 CO -0.06 -1.08 0.63 0.39 -0.01 0.00 0.00 175.02 174.89 3i01 n GLU 21 N 7.54 -1.37 0.15 2.03 1.02 -1.26 -4.80 120.64 123.95 3i01 n GLU 21 Ca 0.20 0.78 0.18 0.00 -0.02 0.00 0.00 57.16 58.31 3i01 n GLU 21 Cb 0.43 -2.89 0.78 0.00 -0.02 0.00 0.00 31.44 29.74 3i01 n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i01 h PRO 22 N -0.48 0.00 -0.56 3.49 0.13 -1.96 -1.69 132.00 130.93 3i01 h PRO 22 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3i01 h PRO 22 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3i01 h PRO 22 CO 0.38 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.78 3i01 n LYS 23 N -3.82 2.62 -3.30 0.86 4.76 -1.26 -4.55 118.16 113.47 3i01 n LYS 23 Ca 0.04 -2.49 -0.43 0.00 -2.87 0.00 0.00 58.31 52.57 3i01 n LYS 23 Cb 0.45 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 3i01 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i01 s ASN 24 N -1.26 6.21 0.39 4.39 3.84 -0.64 -4.94 114.94 122.94 3i01 s ASN 24 Ca 0.44 -0.61 0.28 0.00 0.21 0.00 0.00 52.86 53.19 3i01 s ASN 24 Cb 0.24 -2.23 1.19 0.00 -0.55 0.00 0.00 41.25 39.90 3i01 s ASN 24 CO 0.33 -0.59 1.84 0.08 -2.79 0.00 0.00 177.10 175.97 3i01 h ARG 25 N 8.73 0.00 -2.18 0.43 0.11 -1.87 -3.31 114.38 116.29 3i01 h ARG 25 Ca -0.26 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.29 3i01 h ARG 25 Cb 1.11 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.05 3i01 h ARG 25 CO 0.80 0.00 0.91 -0.25 0.10 0.00 0.00 179.97 181.53 3i01 n ASP 26 N -2.60 6.80 -3.37 0.08 8.00 -1.26 -4.74 116.55 119.46 3i01 n ASP 26 Ca 0.01 -3.09 -0.39 0.00 0.71 0.00 0.00 54.79 52.04 3i01 n ASP 26 Cb 0.25 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 40.03 3i01 n ASP 26 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i01 n ARG 27 N 1.35 4.23 -3.65 -1.24 1.85 -1.25 -4.87 116.66 113.09 3i01 n ARG 27 Ca 0.53 -3.04 -0.13 0.00 -1.00 0.00 0.00 57.85 54.20 3i01 n ARG 27 Cb 0.51 -2.65 -0.06 0.00 -1.05 0.00 0.00 32.46 29.21 3i01 n ARG 27 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i01 s THR 28 N -0.26 0.05 -1.54 8.89 -1.32 -1.26 -0.57 115.64 119.63 3i01 s THR 28 Ca 0.59 -0.39 0.14 0.00 -1.21 0.00 0.00 61.69 60.81 3i01 s THR 28 Cb 0.19 -0.91 0.21 0.00 -1.51 0.00 0.00 72.50 70.48 3i01 s THR 28 CO -0.09 -0.22 1.08 1.33 -2.21 0.00 0.00 174.62 174.51 3i01 n VAL 29 N 0.63 0.36 -2.45 5.08 0.24 -0.88 -4.84 118.33 116.47 3i01 n VAL 29 Ca -0.19 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.34 61.00 3i01 n VAL 29 Cb 0.59 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 3i01 n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i01 s ASP 30 N -1.11 6.75 0.34 -1.34 -1.08 -1.26 -4.94 116.67 114.03 3i01 s ASP 30 Ca 0.21 1.27 0.09 0.00 -0.52 0.00 0.00 52.55 53.60 3i01 s ASP 30 Cb 0.13 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.66 3i01 s ASP 30 CO 0.18 -1.00 1.78 1.55 0.52 0.00 0.00 175.17 178.20 3i01 h PRO 31 N 8.96 0.16 -0.81 4.34 0.14 -1.97 -2.10 132.00 140.72 3i01 h PRO 31 Ca -0.25 -0.06 0.06 0.00 0.14 0.00 0.00 66.00 65.89 3i01 h PRO 31 Cb 1.09 -0.01 -0.06 0.00 0.14 0.00 0.00 31.00 32.17 3i01 h PRO 31 CO 1.02 0.49 0.49 0.00 0.14 0.00 0.00 178.00 180.14 3i01 h ALA 32 N 1.51 1.11 -0.25 -0.56 0.00 -1.95 -0.27 119.26 118.86 3i01 h ALA 32 Ca 0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 32 Cb 0.68 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i01 h ALA 32 CO 0.05 0.21 -0.31 0.28 0.00 0.00 0.00 179.25 179.48 3i01 h VAL 33 N 0.89 1.31 -0.62 0.00 2.07 -1.81 -0.05 116.25 118.04 3i01 h VAL 33 Ca 0.36 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.45 3i01 h VAL 33 Cb 0.18 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3i01 h VAL 33 CO -0.18 0.47 0.30 -0.07 0.02 0.00 0.00 177.57 178.12 3i01 h LEU 34 N 0.37 0.41 -0.14 2.57 3.38 -1.29 0.19 115.31 120.80 3i01 h LEU 34 Ca 0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i01 h LEU 34 Cb 0.89 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3i01 h LEU 34 CO 0.07 0.26 0.01 -0.33 0.09 0.00 0.00 178.44 178.54 3i01 h GLU 35 N 0.55 0.06 -0.25 1.13 5.08 -0.60 -2.97 114.58 117.58 3i01 h GLU 35 Ca 0.29 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3i01 h GLU 35 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3i01 h GLU 35 CO -0.23 0.04 -0.02 0.52 -1.00 0.00 0.00 179.01 178.32 3i01 h MET 36 N 0.06 0.37 0.00 2.33 2.86 -0.68 -2.26 114.93 117.61 3i01 h MET 36 Ca 0.07 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3i01 h MET 36 Cb 0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3i01 h MET 36 CO -0.10 0.42 -0.11 -0.07 1.06 0.00 0.00 176.91 178.11 3i01 h LEU 37 N 0.36 0.00 0.25 1.22 3.38 -0.47 0.63 115.31 120.69 3i01 h LEU 37 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i01 h LEU 37 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i01 h LEU 37 CO 0.01 0.11 -0.25 0.58 0.09 0.00 0.00 178.44 178.98 3i01 h VAL 38 N 0.00 0.46 0.09 1.22 2.07 -1.35 -2.21 116.25 116.53 3i01 h VAL 38 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3i01 h VAL 38 Cb 0.20 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3i01 h VAL 38 CO 0.01 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.06 3i01 h LYS 39 N -0.54 -0.12 -0.86 1.57 3.64 -1.34 -1.74 116.57 117.19 3i01 h LYS 39 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3i01 h LYS 39 Cb 0.50 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3i01 h LYS 39 CO -0.06 0.14 0.56 0.66 -2.27 0.00 0.00 179.45 178.48 3i01 h SER 40 N -0.38 0.73 -0.42 4.20 4.64 -0.99 0.42 113.55 121.77 3i01 h SER 40 Ca -0.01 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3i01 h SER 40 Cb 0.32 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3i01 h SER 40 CO 0.02 0.42 0.07 0.50 -0.87 0.00 0.00 176.83 176.97 3i01 h LYS 41 N 0.80 0.69 -0.59 4.77 3.64 -1.19 -0.57 116.57 124.11 3i01 h LYS 41 Ca 0.41 -0.19 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 3i01 h LYS 41 Cb 0.48 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 3i01 h LYS 41 CO -0.17 0.73 0.18 -0.44 -2.27 0.00 0.00 179.45 177.47 3i01 h ASP 42 N 0.54 0.12 0.00 4.20 3.45 0.07 -2.17 116.42 122.63 3i01 h ASP 42 Ca 0.13 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3i01 h ASP 42 Cb 0.38 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3i01 h ASP 42 CO 0.01 0.07 0.00 0.47 -1.57 0.00 0.00 179.24 178.22 3i01 n ASP 43 N -5.06 0.00 -3.72 6.45 8.00 0.12 -4.90 116.55 117.45 3i01 n ASP 43 Ca 0.08 -1.14 -0.28 0.00 0.71 0.00 0.00 54.79 54.16 3i01 n ASP 43 Cb 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3i01 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i01 n LYS 44 N -0.85 -3.50 -3.48 -1.24 5.02 -0.82 -4.97 118.16 108.31 3i01 n LYS 44 Ca 0.15 0.44 -0.37 0.00 -2.02 0.00 0.00 58.31 56.51 3i01 n LYS 44 Cb 0.07 -5.17 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 3i01 n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 45 N -3.07 5.28 0.00 -0.18 1.01 -0.27 -5.04 120.40 118.12 3i01 s VAL 45 Ca 0.55 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.89 3i01 s VAL 45 Cb -0.29 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3i01 s VAL 45 CO 0.68 0.36 0.87 -0.63 0.00 0.00 0.00 175.10 176.38 3i01 s ILE 46 N 0.58 4.85 0.41 2.22 1.01 -1.26 -4.57 121.20 124.44 3i01 s ILE 46 Ca 0.18 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.67 3i01 s ILE 46 Cb -0.13 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3i01 s ILE 46 CO 0.05 0.24 0.06 0.35 0.00 0.00 0.00 174.94 175.64 3i01 n THR 47 N 3.55 0.00 0.25 2.92 -2.24 -1.26 -4.92 114.28 112.59 3i01 n THR 47 Ca 0.02 -2.13 0.09 0.00 -2.27 0.00 0.00 64.05 59.76 3i01 n THR 47 Cb 0.51 0.58 0.65 0.00 -2.10 0.00 0.00 70.33 69.97 3i01 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 h ALA 48 N 1.40 1.73 -0.69 6.98 0.00 -1.98 -0.91 119.26 125.79 3i01 h ALA 48 Ca -0.33 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3i01 h ALA 48 Cb 1.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3i01 h ALA 48 CO 0.54 0.10 0.15 0.74 0.00 0.00 0.00 179.25 180.78 3i01 h PHE 49 N 0.00 1.18 0.09 0.00 -1.00 -1.87 0.63 116.94 115.96 3i01 h PHE 49 Ca -0.00 -0.15 -0.26 0.00 2.81 0.00 0.00 57.97 60.37 3i01 h PHE 49 Cb 0.15 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.39 3i01 h PHE 49 CO 0.00 0.97 -1.14 -0.44 -1.61 0.00 0.00 178.31 176.09 3i01 h ASP 50 N 1.06 0.51 -0.26 2.17 3.32 -1.55 -2.82 116.42 118.84 3i01 h ASP 50 Ca 0.21 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3i01 h ASP 50 Cb 0.40 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3i01 h ASP 50 CO 0.01 1.33 0.11 0.03 -1.72 0.00 0.00 179.24 179.00 3i01 h ARG 51 N 0.14 0.38 -0.39 3.56 3.08 -0.93 -1.62 114.38 118.61 3i01 h ARG 51 Ca -0.12 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 59.95 3i01 h ARG 51 Cb 1.83 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.73 3i01 h ARG 51 CO 0.19 0.40 -0.24 0.35 -1.07 0.00 0.00 179.97 179.60 3i01 h PHE 52 N 0.27 -0.64 -0.60 3.04 3.57 0.27 -1.69 116.94 121.16 3i01 h PHE 52 Ca 0.09 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3i01 h PHE 52 Cb 0.15 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3i01 h PHE 52 CO -0.01 -0.32 0.30 0.28 -2.23 0.00 0.00 178.31 176.32 3i01 h VAL 53 N -0.18 0.92 0.00 1.41 2.07 -1.27 -2.14 116.25 117.06 3i01 h VAL 53 Ca 0.19 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3i01 h VAL 53 Cb 0.47 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3i01 h VAL 53 CO -0.49 0.10 -0.19 0.00 0.02 0.00 0.00 177.57 177.01 3i01 h ALA 54 N 1.34 1.47 0.00 1.67 0.00 -0.86 -1.69 119.26 121.19 3i01 h ALA 54 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i01 h ALA 54 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i01 h ALA 54 CO -0.20 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3i01 n GLN 55 N -3.99 0.18 -2.76 0.00 1.13 -0.67 -4.89 117.38 106.38 3i01 n GLN 55 Ca -0.02 0.42 -0.40 0.00 -1.94 0.00 0.00 57.00 55.06 3i01 n GLN 55 Cb 0.27 -1.85 -0.06 0.00 0.11 0.00 0.00 30.24 28.71 3i01 n GLN 55 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i01 s GLN 56 N -3.31 4.82 0.19 -1.09 -1.52 -0.64 -3.30 119.66 114.82 3i01 s GLN 56 Ca 0.04 1.47 -0.28 0.00 -1.95 0.00 0.00 55.36 54.64 3i01 s GLN 56 Cb 0.09 -3.30 -0.08 0.00 -0.22 0.00 0.00 33.01 29.50 3i01 s GLN 56 CO 0.37 0.47 0.88 -1.25 -0.25 0.00 0.00 175.29 175.51 3i01 s PRO 57 N -0.97 4.73 0.37 2.91 0.04 -1.26 -5.09 135.00 135.73 3i01 s PRO 57 Ca 0.42 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 3i01 s PRO 57 Cb -0.25 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 3i01 s PRO 57 CO 0.31 0.50 0.77 -0.65 0.04 0.00 0.00 177.00 177.97 3i01 s GLN 58 N -1.00 3.90 -0.09 4.56 -0.21 -1.21 -4.96 119.66 120.65 3i01 s GLN 58 Ca 0.40 0.61 -0.29 0.00 0.02 0.00 0.00 55.36 56.09 3i01 s GLN 58 Cb -0.25 -2.39 -0.07 0.00 1.00 0.00 0.00 33.01 31.30 3i01 s GLN 58 CO 0.29 0.04 2.10 0.00 -2.12 0.00 0.00 175.29 175.60 3i01 h LYS 60 N 12.76 0.96 -0.21 0.00 3.64 -1.98 -1.51 116.57 130.22 3i01 h LYS 60 Ca -0.46 -0.32 0.05 0.00 -1.27 0.00 0.00 60.65 58.65 3i01 h LYS 60 Cb 1.24 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 3i01 h LYS 60 CO 0.95 0.99 -0.14 0.82 -2.27 0.00 0.00 179.45 179.80 3i01 h ILE 61 N 0.83 0.59 -0.41 2.00 2.04 -1.98 -1.26 117.51 119.32 3i01 h ILE 61 Ca 0.14 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 3i01 h ILE 61 Cb 0.58 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3i01 h ILE 61 CO 0.03 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.33 3i01 h GLY 62 N -0.13 0.78 0.83 5.37 0.00 -1.92 -2.45 103.07 105.55 3i01 h GLY 62 Ca 0.12 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.97 3i01 h GLY 62 CO -0.29 0.52 0.57 -1.82 0.00 0.00 0.00 176.54 175.51 3i01 h TYR 63 N 0.66 0.99 -0.01 5.60 3.20 -1.01 -2.13 116.97 124.27 3i01 h TYR 63 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3i01 h TYR 63 Cb 0.54 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3i01 h TYR 63 CO 0.03 0.50 -0.15 0.39 -1.64 0.00 0.00 178.16 177.29 3i01 n GLU 64 N -4.50 0.94 -0.57 1.82 1.02 -0.50 -3.97 120.64 114.88 3i01 n GLU 64 Ca 0.14 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 3i01 n GLU 64 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3i01 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 65 N 1.27 0.70 0.99 0.62 0.00 -0.80 -0.67 105.19 107.30 3i01 n GLY 65 Ca 0.15 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3i01 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i01 n ILE 66 N -2.57 1.48 -3.84 -0.61 -5.35 -1.05 -3.10 119.36 104.32 3i01 n ILE 66 Ca 0.00 -1.24 -0.35 0.00 -0.27 0.00 0.00 62.75 60.89 3i01 n ILE 66 Cb 0.00 0.25 -0.09 0.00 -1.74 0.00 0.00 39.64 38.06 3i01 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i01 n ARG 69 N 3.70 2.26 0.00 0.00 1.74 -1.26 -1.09 116.66 122.00 3i01 n ARG 69 Ca -0.18 -3.58 0.12 0.00 -0.77 0.00 0.00 57.85 53.44 3i01 n ARG 69 Cb 0.52 -1.69 0.67 0.00 -1.02 0.00 0.00 32.46 30.94 3i01 n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i01 n PHE 70 N -0.58 0.00 -3.87 -1.55 3.01 -1.26 -4.89 117.46 108.33 3i01 n PHE 70 Ca 0.22 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.59 3i01 n PHE 70 Cb 0.89 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 3i01 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i01 n MET 72 N -0.51 1.35 0.07 0.00 2.81 -1.26 -2.04 117.12 117.54 3i01 n MET 72 Ca -0.06 -0.54 -0.02 0.00 -1.81 0.00 0.00 57.70 55.28 3i01 n MET 72 Cb 0.60 -1.18 -0.06 0.00 -0.71 0.00 0.00 33.22 31.87 3i01 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i01 h ALA 73 N 3.43 0.60 -3.00 3.04 0.00 -1.98 -3.47 119.26 117.88 3i01 h ALA 73 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3i01 h ALA 73 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i01 h ALA 73 CO 0.00 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.64 3i01 n GLY 74 N 1.34 -1.96 3.77 0.00 0.00 -0.87 -4.82 105.19 102.66 3i01 n GLY 74 Ca -0.04 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3i01 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i01 s PRO 75 N -1.27 4.04 0.06 1.61 0.02 -1.26 -5.07 135.00 133.13 3i01 s PRO 75 Ca 0.00 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.37 3i01 s PRO 75 Cb 0.00 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 3i01 s PRO 75 CO 0.00 -0.48 -0.13 0.00 -0.33 0.00 0.00 177.00 176.06 3i01 s ARG 77 N -1.73 0.41 -0.33 0.00 1.70 -1.26 0.43 118.95 118.17 3i01 s ARG 77 Ca 0.18 -0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 3i01 s ARG 77 Cb -0.11 -0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.14 3i01 s ARG 77 CO 0.09 0.01 1.31 0.42 -1.08 0.00 0.00 175.30 176.05 3i01 s ILE 78 N -1.25 4.11 -0.11 4.99 -1.09 -0.61 -4.85 121.20 122.40 3i01 s ILE 78 Ca -0.11 1.23 0.20 0.00 -2.23 0.00 0.00 60.65 59.74 3i01 s ILE 78 Cb -0.09 -4.20 -0.26 0.00 -1.58 0.00 0.00 42.46 36.33 3i01 s ILE 78 CO -0.00 -0.56 0.42 0.29 -1.23 0.00 0.00 174.94 173.86 3i01 n LYS 79 N 7.48 0.66 -4.03 2.79 5.02 0.14 -5.01 118.16 125.20 3i01 n LYS 79 Ca 0.15 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 3i01 n LYS 79 Cb 0.47 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 3i01 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i01 s ALA 80 N -3.09 0.11 -1.01 7.82 0.00 -1.11 -4.99 121.76 119.48 3i01 s ALA 80 Ca -0.08 -1.10 0.24 0.00 0.00 0.00 0.00 51.96 51.03 3i01 s ALA 80 Cb 0.10 1.11 0.34 0.00 0.00 0.00 0.00 23.12 24.67 3i01 s ALA 80 CO 0.86 -0.81 1.30 0.25 0.00 0.00 0.00 175.76 177.35 3i01 n THR 81 N -0.41 0.00 -3.93 0.00 -2.24 -1.26 -3.93 114.28 102.52 3i01 n THR 81 Ca -0.01 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 3i01 n THR 81 Cb 0.62 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 3i01 n THR 81 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3i01 s ASP 82 N -2.99 0.13 0.00 3.42 1.47 -1.26 -4.90 116.67 112.54 3i01 s ASP 82 Ca 0.10 -0.79 0.00 0.00 1.18 0.00 0.00 52.55 53.05 3i01 s ASP 82 Cb 0.17 0.36 0.00 0.00 -0.34 0.00 0.00 42.92 43.11 3i01 s ASP 82 CO 0.74 -0.78 0.00 0.61 0.68 0.00 0.00 175.17 176.42 3i01 n GLY 83 N -0.10 -2.06 0.01 2.12 0.00 -1.26 -4.37 105.19 99.52 3i01 n GLY 83 Ca -0.12 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.23 3i01 n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i01 n PRO 84 N -0.06 0.01 -0.58 1.61 -0.02 -1.26 -2.58 135.00 132.12 3i01 n PRO 84 Ca 0.00 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3i01 n PRO 84 Cb 0.00 -1.52 0.35 0.00 -0.02 0.00 0.00 33.50 32.30 3i01 n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 85 N -0.03 2.58 0.73 -1.23 0.00 -1.26 -4.50 105.19 101.48 3i01 n GLY 85 Ca 0.03 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.36 3i01 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i01 n SER 86 N 1.15 2.36 -4.13 1.61 3.41 -1.07 0.24 113.62 117.19 3i01 n SER 86 Ca 0.25 -1.74 -0.09 0.00 -0.26 0.00 0.00 58.87 57.03 3i01 n SER 86 Cb 0.84 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 3i01 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i01 s ARG 87 N -2.09 0.71 1.31 4.33 0.52 -1.26 -4.34 118.95 118.12 3i01 s ARG 87 Ca 0.29 -1.24 -0.19 0.00 -0.52 0.00 0.00 55.73 54.07 3i01 s ARG 87 Cb 0.20 -0.03 0.33 0.00 0.52 0.00 0.00 34.95 35.97 3i01 s ARG 87 CO 0.36 -0.05 0.98 0.20 0.02 0.00 0.00 175.30 176.81 3i01 s GLY 88 N -2.88 1.48 0.25 -3.53 0.00 -0.24 -4.84 107.32 97.55 3i01 s GLY 88 Ca 0.08 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 3i01 s GLY 88 CO -0.07 0.29 1.92 -2.22 0.00 0.00 0.00 173.10 173.03 3i01 h ILE 89 N -3.04 1.26 0.00 0.90 2.04 -1.95 -1.11 117.51 115.61 3i01 h ILE 89 Ca -0.50 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3i01 h ILE 89 Cb 1.34 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3i01 h ILE 89 CO 0.38 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.78 3i01 n GLY 91 N 0.78 0.73 3.65 0.00 0.00 -0.42 -4.93 105.19 104.99 3i01 n GLY 91 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 3i01 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 92 N -1.96 0.63 -1.70 4.61 0.00 -1.26 -4.61 120.51 116.21 3i01 n ALA 92 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 3i01 n ALA 92 Cb 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 19.45 17.27 3i01 n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i01 s SER 93 N 0.42 5.29 0.38 0.00 0.01 -1.26 -1.08 113.70 117.45 3i01 s SER 93 Ca 0.73 1.37 0.10 0.00 1.31 0.00 0.00 55.95 59.46 3i01 s SER 93 Cb -0.72 -2.22 0.87 0.00 0.21 0.00 0.00 66.02 64.16 3i01 s SER 93 CO 0.47 -1.47 1.91 0.00 0.41 0.00 0.00 173.24 174.56 3i01 h ALA 94 N -0.74 1.88 0.00 1.44 0.00 -1.94 -1.20 119.26 118.70 3i01 h ALA 94 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3i01 h ALA 94 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i01 h ALA 94 CO 0.60 -0.08 -0.27 0.11 0.00 0.00 0.00 179.25 179.61 3i01 h TRP 95 N 0.62 0.00 0.04 0.00 0.09 -1.92 -1.65 115.95 113.13 3i01 h TRP 95 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.19 3i01 h TRP 95 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.89 3i01 h TRP 95 CO -0.00 0.27 -0.69 1.15 0.09 0.00 0.00 178.44 179.26 3i01 h THR 96 N 0.00 1.44 -0.48 0.12 2.02 -1.57 -1.58 112.91 112.86 3i01 h THR 96 Ca -0.00 -2.22 0.01 0.00 0.77 0.00 0.00 66.41 64.97 3i01 h THR 96 Cb 0.55 2.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 3i01 h THR 96 CO 0.04 0.64 0.31 0.40 0.37 0.00 0.00 175.52 177.28 3i01 h ILE 97 N -0.15 1.11 -0.52 3.11 2.04 -1.35 0.61 117.51 122.36 3i01 h ILE 97 Ca -0.10 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3i01 h ILE 97 Cb 1.43 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3i01 h ILE 97 CO 0.13 0.12 0.32 0.58 0.00 0.00 0.00 178.15 179.30 3i01 h VAL 98 N 0.63 1.08 -0.45 1.67 2.07 -1.23 -1.32 116.25 118.70 3i01 h VAL 98 Ca 0.18 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3i01 h VAL 98 Cb -0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3i01 h VAL 98 CO -0.05 0.12 -0.14 0.00 0.02 0.00 0.00 177.57 177.52 3i01 h ALA 99 N 1.22 0.90 -0.81 1.67 0.00 -0.72 -1.41 119.26 120.12 3i01 h ALA 99 Ca 0.20 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 99 Cb -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3i01 h ALA 99 CO -0.08 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.29 3i01 h ARG 100 N 0.75 0.85 -0.01 0.00 3.08 -0.65 0.26 114.38 118.67 3i01 h ARG 100 Ca 0.12 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3i01 h ARG 100 Cb 0.65 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.52 3i01 h ARG 100 CO 0.05 0.56 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.31 3i01 h ASN 101 N 0.88 0.27 -0.24 7.04 2.35 -0.34 -0.06 115.58 125.48 3i01 h ASN 101 Ca 0.36 -0.75 -0.13 0.00 -0.55 0.00 0.00 56.30 55.23 3i01 h ASN 101 Cb 0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3i01 h ASN 101 CO -0.18 0.98 -0.31 1.62 -1.65 0.00 0.00 177.43 177.89 3i01 h VAL 102 N -0.41 1.28 -0.88 2.81 3.04 -1.34 -3.03 116.25 117.72 3i01 h VAL 102 Ca -0.03 -1.46 -0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3i01 h VAL 102 Cb 1.02 1.35 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 3i01 h VAL 102 CO 0.06 0.48 0.54 1.23 -1.01 0.00 0.00 177.57 178.86 3i01 h GLY 103 N 0.95 1.27 0.93 3.17 0.00 -0.39 -0.98 103.07 108.03 3i01 h GLY 103 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3i01 h GLY 103 CO 0.07 0.51 0.29 -2.00 0.00 0.00 0.00 176.54 175.41 3i01 h LEU 104 N 1.21 0.48 -0.26 3.11 5.85 -0.92 0.27 115.31 125.05 3i01 h LEU 104 Ca 0.32 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3i01 h LEU 104 Cb -0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3i01 h LEU 104 CO -0.06 0.35 -0.15 0.24 -0.34 0.00 0.00 178.44 178.47 3i01 h MET 105 N 0.59 0.57 -0.88 1.25 2.86 -1.24 -1.85 114.93 116.22 3i01 h MET 105 Ca 0.18 -0.26 0.16 0.00 -2.06 0.00 0.00 59.70 57.72 3i01 h MET 105 Cb -0.02 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.53 3i01 h MET 105 CO -0.07 0.83 0.46 0.82 1.06 0.00 0.00 176.91 180.02 3i01 h ILE 106 N 0.30 0.71 -0.38 -1.22 2.04 -0.94 -2.51 117.51 115.49 3i01 h ILE 106 Ca 0.06 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3i01 h ILE 106 Cb 0.67 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3i01 h ILE 106 CO 0.04 0.12 0.19 -0.07 0.00 0.00 0.00 178.15 178.43 3i01 h LEU 107 N 0.63 0.50 -0.99 1.44 3.38 -0.05 -1.26 115.31 118.96 3i01 h LEU 107 Ca 0.49 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.36 3i01 h LEU 107 Cb 0.73 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3i01 h LEU 107 CO -0.38 0.48 0.65 0.71 0.09 0.00 0.00 178.44 180.00 3i01 h THR 108 N 0.48 1.22 -0.38 0.22 1.35 -1.04 0.20 112.91 114.96 3i01 h THR 108 Ca 0.13 -0.45 -0.13 0.00 -0.55 0.00 0.00 66.41 65.42 3i01 h THR 108 Cb 0.11 -0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.32 3i01 h THR 108 CO -0.02 0.24 -0.26 1.23 -0.25 0.00 0.00 175.52 176.46 3i01 h GLY 109 N 1.31 0.92 1.14 5.82 0.00 -1.05 -1.19 103.07 110.03 3i01 h GLY 109 Ca 0.38 -0.88 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 3i01 h GLY 109 CO -0.10 0.79 -0.29 0.00 0.00 0.00 0.00 176.54 176.95 3i01 h ALA 110 N 0.78 0.66 -0.87 3.60 0.00 -0.93 -0.92 119.26 121.58 3i01 h ALA 110 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3i01 h ALA 110 Cb 0.83 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3i01 h ALA 110 CO 0.07 0.68 0.45 0.00 0.00 0.00 0.00 179.25 180.45 3i01 h ALA 111 N 0.85 1.12 -0.16 0.00 0.00 -0.57 0.12 119.26 120.62 3i01 h ALA 111 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 111 Cb 0.87 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3i01 h ALA 111 CO 0.08 0.66 0.04 0.00 0.00 0.00 0.00 179.25 180.03 3i01 h ALA 112 N 1.24 0.21 -0.51 0.00 0.00 -1.01 -1.00 119.26 118.20 3i01 h ALA 112 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i01 h ALA 112 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3i01 h ALA 112 CO -0.04 -0.16 0.14 0.45 0.00 0.00 0.00 179.25 179.64 3i01 h HIS 113 N 0.07 0.78 -0.39 0.00 3.86 -1.07 -2.05 115.15 116.34 3i01 h HIS 113 Ca 0.05 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3i01 h HIS 113 Cb 0.24 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3i01 h HIS 113 CO 0.00 0.65 0.09 0.00 0.86 0.00 0.00 177.93 179.53 3i01 h GLU 115 N 0.50 0.56 0.19 0.00 4.22 -0.89 0.20 114.58 119.36 3i01 h GLU 115 Ca 0.12 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.54 3i01 h GLU 115 Cb 0.33 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3i01 h GLU 115 CO 0.00 0.37 -0.40 1.25 -2.18 0.00 0.00 179.01 178.05 3i01 h HIS 116 N 0.58 -1.12 -0.15 0.92 2.76 -1.27 0.16 115.15 117.04 3i01 h HIS 116 Ca 0.18 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 3i01 h HIS 116 Cb -0.01 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3i01 h HIS 116 CO -0.06 -0.52 -0.46 0.78 -1.30 0.00 0.00 177.93 176.37 3i01 h GLY 117 N -0.68 0.39 0.99 5.26 0.00 -1.07 -1.73 103.07 106.23 3i01 h GLY 117 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3i01 h GLY 117 CO -0.19 0.37 0.14 -0.57 0.00 0.00 0.00 176.54 176.28 3i01 h ASN 118 N 0.29 0.25 0.03 0.19 -0.00 -0.65 -1.63 115.58 114.06 3i01 h ASN 118 Ca 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 56.30 56.32 3i01 h ASN 118 Cb 0.92 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.16 3i01 h ASN 118 CO 0.08 0.19 -0.13 -0.74 -0.00 0.00 0.00 177.43 176.83 3i01 h HIS 119 N 0.28 -0.34 -0.92 0.67 2.76 -0.44 -1.84 115.15 115.32 3i01 h HIS 119 Ca 0.08 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3i01 h HIS 119 Cb -0.02 0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 3i01 h HIS 119 CO -0.06 -0.20 0.60 0.82 -1.30 0.00 0.00 177.93 177.79 3i01 h ILE 120 N -0.24 1.24 -0.49 6.26 2.04 -1.31 -1.06 117.51 123.95 3i01 h ILE 120 Ca 0.04 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 3i01 h ILE 120 Cb 0.28 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3i01 h ILE 120 CO -0.11 0.24 -0.21 0.00 0.00 0.00 0.00 178.15 178.06 3i01 h ALA 121 N 1.41 0.69 -0.59 1.87 0.00 -1.18 0.38 119.26 121.84 3i01 h ALA 121 Ca 0.34 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3i01 h ALA 121 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i01 h ALA 121 CO -0.07 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.19 3i01 h HIS 122 N 0.87 1.01 -0.19 0.00 -0.00 -1.18 -2.16 115.15 113.51 3i01 h HIS 122 Ca 0.11 -0.13 -0.13 0.00 -0.00 0.00 0.00 60.37 60.22 3i01 h HIS 122 Cb 0.80 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 3i01 h HIS 122 CO 0.05 0.87 -0.44 0.00 -0.00 0.00 0.00 177.93 178.42 3i01 h ALA 123 N 1.18 0.90 0.14 5.26 0.00 -0.69 -2.04 119.26 124.02 3i01 h ALA 123 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3i01 h ALA 123 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i01 h ALA 123 CO 0.01 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 3i01 h LEU 124 N 0.37 -0.16 -0.72 0.00 5.85 -0.76 -0.54 115.31 119.34 3i01 h LEU 124 Ca 0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3i01 h LEU 124 Cb 0.92 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3i01 h LEU 124 CO 0.08 -0.04 0.44 0.58 -0.34 0.00 0.00 178.44 179.16 3i01 h VAL 125 N -0.26 1.20 -0.14 1.05 2.07 -1.44 -1.50 116.25 117.23 3i01 h VAL 125 Ca -0.02 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3i01 h VAL 125 Cb 0.21 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3i01 h VAL 125 CO 0.03 0.21 -0.01 -0.08 0.02 0.00 0.00 177.57 177.74 3i01 h GLU 126 N 0.99 0.03 -0.13 1.57 4.81 -1.22 -0.98 114.58 119.65 3i01 h GLU 126 Ca 0.26 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3i01 h GLU 126 Cb -0.04 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3i01 h GLU 126 CO -0.05 0.02 -0.27 1.98 -0.73 0.00 0.00 179.01 179.96 3i01 h MET 127 N 0.03 -0.33 -0.12 1.92 4.05 -0.93 -1.56 114.93 117.99 3i01 h MET 127 Ca 0.06 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3i01 h MET 127 Cb 0.08 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3i01 h MET 127 CO -0.12 -0.22 0.11 0.00 0.23 0.00 0.00 176.91 176.91 3i01 h ALA 128 N 0.56 1.86 -0.20 0.39 0.00 -0.99 -1.56 119.26 119.32 3i01 h ALA 128 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i01 h ALA 128 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i01 h ALA 128 CO -0.33 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.14 3i01 n GLU 129 N -4.09 1.76 -0.68 0.00 1.02 -0.40 -4.83 120.64 113.43 3i01 n GLU 129 Ca -0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 3i01 n GLU 129 Cb 0.22 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3i01 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 130 N 1.13 0.62 0.51 0.62 0.00 -0.58 -4.95 105.19 102.54 3i01 n GLY 130 Ca 0.15 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3i01 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i01 n LYS 131 N -2.68 1.48 -3.20 1.61 5.02 -0.65 -4.71 118.16 115.03 3i01 n LYS 131 Ca 0.00 -1.51 -0.24 0.00 -2.02 0.00 0.00 58.31 54.54 3i01 n LYS 131 Cb 0.00 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 3i01 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i01 n ALA 132 N 0.55 2.36 0.16 7.82 0.00 -1.22 -4.40 120.51 125.78 3i01 n ALA 132 Ca 0.08 -3.31 0.15 0.00 0.00 0.00 0.00 53.44 50.36 3i01 n ALA 132 Cb 0.33 -0.82 0.71 0.00 0.00 0.00 0.00 19.45 19.68 3i01 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i01 h PRO 133 N 4.17 0.00 0.00 0.00 0.13 -1.84 -1.15 132.00 133.31 3i01 h PRO 133 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3i01 h PRO 133 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3i01 h PRO 133 CO 0.45 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 3i01 n ASP 134 N -4.29 0.00 -4.39 1.44 8.00 -1.26 -4.78 116.55 111.27 3i01 n ASP 134 Ca 0.02 -0.91 -0.21 0.00 0.71 0.00 0.00 54.79 54.40 3i01 n ASP 134 Cb 0.32 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 3i01 n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i01 s TYR 135 N -2.00 1.96 0.27 1.24 1.51 -0.44 -5.02 117.35 114.86 3i01 s TYR 135 Ca 0.22 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 3i01 s TYR 135 Cb 0.10 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 3i01 s TYR 135 CO 0.17 0.49 0.74 -1.54 -1.11 0.00 0.00 175.55 174.29 3i01 s SER 136 N -3.26 -0.26 -0.71 2.29 1.04 -1.26 -4.95 113.70 106.59 3i01 s SER 136 Ca 0.24 -0.57 -0.27 0.00 0.48 0.00 0.00 55.95 55.83 3i01 s SER 136 Cb -0.03 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.82 3i01 s SER 136 CO 0.10 -1.30 1.30 -0.69 0.98 0.00 0.00 173.24 173.63 3i01 s VAL 137 N -3.86 3.74 -0.54 5.02 1.01 -1.26 -4.39 120.40 120.12 3i01 s VAL 137 Ca 0.11 0.47 0.24 0.00 0.00 0.00 0.00 61.98 62.80 3i01 s VAL 137 Cb -0.05 -4.83 0.19 0.00 0.00 0.00 0.00 36.38 31.68 3i01 s VAL 137 CO 0.06 -1.72 1.49 0.11 0.00 0.00 0.00 175.10 175.03 3i01 h LYS 138 N 10.25 0.00 -3.09 2.72 1.57 -0.93 -3.41 116.57 123.67 3i01 h LYS 138 Ca -0.27 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.89 3i01 h LYS 138 Cb 1.06 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.96 3i01 h LYS 138 CO 1.26 0.00 -0.69 0.34 -0.57 0.00 0.00 179.45 179.79 3i01 s ASP 139 N -5.06 3.90 0.23 0.86 3.68 -0.32 -4.64 116.67 115.32 3i01 s ASP 139 Ca 0.07 -2.94 -0.07 0.00 2.13 0.00 0.00 52.55 51.74 3i01 s ASP 139 Cb 0.10 -1.27 0.21 0.00 -1.45 0.00 0.00 42.92 40.51 3i01 s ASP 139 CO 0.68 -0.23 1.87 -0.33 0.13 0.00 0.00 175.17 177.30 3i01 h GLU 140 N 6.42 1.23 -0.35 4.34 5.08 -1.86 -2.03 114.58 127.42 3i01 h GLU 140 Ca 0.00 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 3i01 h GLU 140 Cb 0.89 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3i01 h GLU 140 CO 0.57 0.88 -0.23 0.00 -1.00 0.00 0.00 179.01 179.23 3i01 h ALA 141 N 1.29 0.49 -0.13 3.43 0.00 -1.99 -1.24 119.26 121.11 3i01 h ALA 141 Ca 0.32 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 141 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3i01 h ALA 141 CO -0.06 0.47 -0.14 -0.22 0.00 0.00 0.00 179.25 179.30 3i01 h LYS 142 N 0.55 -0.16 -0.49 0.00 1.63 -1.93 -1.61 116.57 114.55 3i01 h LYS 142 Ca 0.07 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.97 3i01 h LYS 142 Cb 0.78 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.35 3i01 h LYS 142 CO 0.06 -0.11 -0.31 1.25 -3.45 0.00 0.00 179.45 176.90 3i01 h LEU 143 N -0.16 -1.05 -0.71 5.20 5.85 -1.12 0.19 115.31 123.50 3i01 h LEU 143 Ca 0.09 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 3i01 h LEU 143 Cb 0.30 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3i01 h LEU 143 CO -0.23 -0.30 -0.42 0.11 -0.34 0.00 0.00 178.44 177.26 3i01 h LYS 144 N -0.19 0.50 -0.07 1.25 1.57 -1.09 0.28 116.57 118.81 3i01 h LYS 144 Ca 0.21 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i01 h LYS 144 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3i01 h LYS 144 CO -0.60 0.83 0.01 1.49 -0.57 0.00 0.00 179.45 180.61 3i01 h GLU 145 N 0.41 0.03 -0.57 3.15 4.57 -0.84 0.24 114.58 121.58 3i01 h GLU 145 Ca 0.03 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3i01 h GLU 145 Cb 0.91 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 3i01 h GLU 145 CO 0.08 0.02 0.32 0.28 -1.18 0.00 0.00 179.01 178.54 3i01 h VAL 146 N 0.04 1.18 -0.58 0.32 2.07 -0.32 0.20 116.25 119.16 3i01 h VAL 146 Ca 0.03 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3i01 h VAL 146 Cb 0.03 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 3i01 h VAL 146 CO -0.05 0.19 0.29 0.00 0.02 0.00 0.00 177.57 178.02 3i01 h ARG 148 N 0.55 0.51 -0.75 0.00 2.43 0.23 0.34 114.38 117.69 3i01 h ARG 148 Ca 0.26 -0.11 0.13 0.00 -0.81 0.00 0.00 59.98 59.46 3i01 h ARG 148 Cb 0.19 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 3i01 h ARG 148 CO -0.19 0.54 0.50 -0.09 -1.51 0.00 0.00 179.97 179.21 3i01 h ARG 149 N 0.38 0.47 -0.64 0.20 2.43 -0.12 -1.57 114.38 115.54 3i01 h ARG 149 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3i01 h ARG 149 Cb 0.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i01 h ARG 149 CO -0.00 0.31 0.00 1.33 -1.51 0.00 0.00 179.97 180.10 3i01 n VAL 150 N -4.49 2.31 -1.25 0.20 0.24 -0.43 -4.88 118.33 110.03 3i01 n VAL 150 Ca 0.14 -1.20 -0.09 0.00 -2.04 0.00 0.00 64.34 61.15 3i01 n VAL 150 Cb 0.47 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.54 3i01 n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i01 n GLY 151 N 0.61 1.05 3.73 7.63 0.00 -0.59 -5.01 105.19 112.62 3i01 n GLY 151 Ca 0.24 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3i01 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 152 N -2.32 4.99 -0.49 -0.61 1.01 0.12 -5.00 121.20 118.89 3i01 s ILE 152 Ca 0.00 1.40 -0.28 0.00 0.00 0.00 0.00 60.65 61.77 3i01 s ILE 152 Cb 0.00 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.49 3i01 s ILE 152 CO 0.00 0.30 1.11 -0.70 0.00 0.00 0.00 174.94 175.65 3i01 s GLU 153 N 0.49 3.64 0.52 2.79 -6.30 -1.26 -3.98 118.70 114.60 3i01 s GLU 153 Ca 0.36 0.42 0.31 0.00 -2.50 0.00 0.00 54.97 53.55 3i01 s GLU 153 Cb -0.18 -3.93 1.16 0.00 0.00 0.00 0.00 34.13 31.18 3i01 s GLU 153 CO 0.18 -1.41 1.91 0.28 0.02 0.00 0.00 175.26 176.24 3i01 h VAL 154 N 6.19 0.06 -3.03 3.70 2.07 -1.93 -3.47 116.25 119.85 3i01 h VAL 154 Ca -0.24 -0.66 -0.55 0.00 0.82 0.00 0.00 66.70 66.07 3i01 h VAL 154 Cb 1.06 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3i01 h VAL 154 CO 1.12 0.02 0.75 -1.61 0.02 0.00 0.00 177.57 177.88 3i01 s GLU 155 N -3.59 4.32 -0.39 1.57 2.02 -1.26 -3.06 118.70 118.31 3i01 s GLU 155 Ca 0.02 1.71 -0.01 0.00 0.02 0.00 0.00 54.97 56.71 3i01 s GLU 155 Cb 0.08 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.72 3i01 s GLU 155 CO 0.57 -0.51 0.07 0.41 0.02 0.00 0.00 175.26 175.83 3i01 n GLY 156 N 3.44 0.28 3.32 -1.39 0.00 -1.26 -5.05 105.19 104.53 3i01 n GLY 156 Ca 0.12 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3i01 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i01 s LYS 157 N -4.52 1.86 0.82 1.61 1.02 -1.17 -5.12 119.74 114.23 3i01 s LYS 157 Ca 0.04 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 3i01 s LYS 157 Cb -0.02 -1.94 0.09 0.00 -0.52 0.00 0.00 37.83 35.45 3i01 s LYS 157 CO 0.04 0.51 1.12 -1.54 -0.92 0.00 0.00 175.35 174.57 3i01 s SER 158 N -0.98 3.87 0.35 2.83 1.04 -1.26 -4.88 113.70 114.67 3i01 s SER 158 Ca 0.11 2.02 0.02 0.00 0.48 0.00 0.00 55.95 58.58 3i01 s SER 158 Cb -0.10 -2.55 0.63 0.00 0.10 0.00 0.00 66.02 64.11 3i01 s SER 158 CO 0.01 -2.47 2.00 -0.37 0.98 0.00 0.00 173.24 173.39 3i01 h VAL 159 N -1.32 1.16 -0.56 5.02 -1.51 -1.99 -1.88 116.25 115.18 3i01 h VAL 159 Ca -0.44 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 64.61 3i01 h VAL 159 Cb 1.25 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 3i01 h VAL 159 CO 0.47 0.17 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.90 3i01 h LEU 160 N 0.83 0.94 -1.47 4.19 3.38 -1.92 -0.18 115.31 121.07 3i01 h LEU 160 Ca 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i01 h LEU 160 Cb -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3i01 h LEU 160 CO -0.04 1.00 0.33 -0.33 0.09 0.00 0.00 178.44 179.48 3i01 h GLU 161 N 0.88 0.68 -0.06 1.13 5.08 -1.83 -1.35 114.58 119.12 3i01 h GLU 161 Ca 0.16 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 3i01 h GLU 161 Cb 0.53 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.64 3i01 h GLU 161 CO 0.03 0.46 -0.85 -0.07 -1.00 0.00 0.00 179.01 177.58 3i01 h LEU 162 N 0.70 0.85 -0.70 1.33 3.38 -0.69 -1.04 115.31 119.14 3i01 h LEU 162 Ca 0.19 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 57.52 3i01 h LEU 162 Cb -0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 3i01 h LEU 162 CO -0.04 1.43 0.39 0.00 0.09 0.00 0.00 178.44 180.31 3i01 h ALA 163 N 0.44 0.95 0.61 1.53 0.00 -0.95 -1.92 119.26 119.91 3i01 h ALA 163 Ca -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 163 Cb 1.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3i01 h ALA 163 CO 0.17 0.06 -0.29 0.37 0.00 0.00 0.00 179.25 179.56 3i01 h GLN 164 N 0.71 -0.78 -0.74 0.00 4.15 -1.21 -1.34 115.11 115.89 3i01 h GLN 164 Ca 0.32 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 3i01 h GLN 164 Cb 0.22 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3i01 h GLN 164 CO -0.20 -0.49 0.39 1.49 -1.93 0.00 0.00 178.83 178.10 3i01 h GLU 165 N -0.92 1.02 -0.18 1.69 4.81 -1.20 -0.54 114.58 119.26 3i01 h GLU 165 Ca -0.08 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 3i01 h GLU 165 Cb 0.66 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3i01 h GLU 165 CO 0.14 0.76 -0.56 -0.24 -0.73 0.00 0.00 179.01 178.37 3i01 h VAL 166 N 1.03 1.31 -0.43 0.32 3.04 -1.41 -1.18 116.25 118.93 3i01 h VAL 166 Ca 0.26 -1.80 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 3i01 h VAL 166 Cb 0.04 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.22 3i01 h VAL 166 CO -0.04 0.56 0.20 1.23 -1.01 0.00 0.00 177.57 178.52 3i01 h GLY 167 N 0.39 0.58 0.96 3.17 0.00 -1.13 -0.59 103.07 106.45 3i01 h GLY 167 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3i01 h GLY 167 CO 0.12 0.09 0.03 0.83 0.00 0.00 0.00 176.54 177.61 3i01 h GLU 168 N 0.41 0.73 -0.77 4.80 5.08 -1.02 -1.65 114.58 122.16 3i01 h GLU 168 Ca 0.19 -0.22 0.17 0.00 -1.00 0.00 0.00 59.36 58.50 3i01 h GLU 168 Cb 0.11 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 3i01 h GLU 168 CO -0.14 0.79 0.23 -0.22 -1.00 0.00 0.00 179.01 178.66 3i01 h LYS 169 N 0.58 0.29 -0.39 2.33 1.63 -1.02 -1.64 116.57 118.35 3i01 h LYS 169 Ca 0.12 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3i01 h LYS 169 Cb 0.44 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 3i01 h LYS 169 CO 0.02 0.20 0.15 0.00 -3.45 0.00 0.00 179.45 176.37 3i01 h ALA 170 N 1.63 0.51 -0.95 5.00 0.00 -0.72 -3.10 119.26 121.64 3i01 h ALA 170 Ca 0.45 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.33 3i01 h ALA 170 Cb 0.78 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3i01 h ALA 170 CO -0.51 0.11 0.60 -0.07 0.00 0.00 0.00 179.25 179.39 3i01 h LEU 171 N 0.49 0.84 -1.40 0.00 3.38 -0.89 0.09 115.31 117.82 3i01 h LEU 171 Ca 0.13 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.29 3i01 h LEU 171 Cb 0.19 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3i01 h LEU 171 CO -0.01 0.46 0.55 -0.33 0.09 0.00 0.00 178.44 179.20 3i01 h GLU 172 N 0.91 0.56 0.00 1.13 5.08 -1.23 0.40 114.58 121.42 3i01 h GLU 172 Ca 0.46 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 3i01 h GLU 172 Cb 0.50 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3i01 h GLU 172 CO -0.22 0.37 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.36 3i01 h ASP 173 N 0.57 0.00 0.21 1.42 5.19 -0.99 -2.14 116.42 120.69 3i01 h ASP 173 Ca 0.43 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.64 3i01 h ASP 173 Cb 0.81 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.31 3i01 h ASP 173 CO -0.18 0.36 -0.78 -0.26 -3.12 0.00 0.00 179.24 175.26 3i01 h PHE 174 N 0.00 0.64 0.00 4.55 -1.00 -0.80 0.77 116.94 121.11 3i01 h PHE 174 Ca -0.00 -0.30 -0.20 0.00 2.81 0.00 0.00 57.97 60.28 3i01 h PHE 174 Cb 0.71 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 3i01 h PHE 174 CO 0.00 1.08 -1.12 0.00 -1.61 0.00 0.00 178.31 176.66 3i01 h ARG 175 N 0.31 0.00 -6.82 1.51 3.08 -1.10 -3.13 114.38 108.23 3i01 h ARG 175 Ca -0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.46 3i01 h ARG 175 Cb 1.38 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.52 3i01 h ARG 175 CO 0.14 0.65 0.75 -2.13 -1.07 0.00 0.00 179.97 178.31 3i01 n ARG 176 N -3.17 2.54 -3.02 0.04 0.63 -0.82 -4.91 116.66 107.94 3i01 n ARG 176 Ca -0.05 0.90 -0.23 0.00 -0.92 0.00 0.00 57.85 57.54 3i01 n ARG 176 Cb 0.90 -2.61 0.01 0.00 0.45 0.00 0.00 32.46 31.20 3i01 n ARG 176 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i01 s LEU 177 N -1.11 3.71 -0.12 6.15 1.43 -1.26 -2.75 118.68 124.72 3i01 s LEU 177 Ca 0.59 0.36 -0.37 0.00 -1.03 0.00 0.00 54.13 53.68 3i01 s LEU 177 Cb -0.51 -3.24 -0.14 0.00 0.03 0.00 0.00 46.19 42.32 3i01 s LEU 177 CO 0.57 -0.62 1.70 1.17 0.23 0.00 0.00 176.35 179.40 3i01 n LYS 178 N -2.05 1.56 -0.54 1.70 4.81 -1.26 -1.43 118.16 120.95 3i01 n LYS 178 Ca 0.00 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3i01 n LYS 178 Cb 0.57 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3i01 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i01 n GLY 179 N 3.91 0.77 0.88 3.14 0.00 -1.26 -4.94 105.19 107.69 3i01 n GLY 179 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3i01 n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i01 n GLU 180 N -2.04 2.20 0.00 1.61 1.02 -0.51 -5.05 120.64 117.88 3i01 n GLU 180 Ca 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 3i01 n GLU 180 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3i01 n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 181 N 1.33 0.91 3.45 0.62 0.00 -1.26 -4.93 105.19 105.31 3i01 n GLY 181 Ca 0.15 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 3i01 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i01 s GLU 182 N -1.70 1.64 -0.06 1.61 2.02 -1.26 -4.17 118.70 116.77 3i01 s GLU 182 Ca 0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.41 3i01 s GLU 182 Cb 0.00 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 3i01 s GLU 182 CO 0.00 0.46 1.73 0.00 0.02 0.00 0.00 175.26 177.47 3i01 s ALA 183 N -1.22 3.54 0.15 5.21 0.00 0.22 -4.92 121.76 124.74 3i01 s ALA 183 Ca 0.17 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 3i01 s ALA 183 Cb -0.10 -3.79 0.04 0.00 0.00 0.00 0.00 23.12 19.27 3i01 s ALA 183 CO 0.09 -1.54 1.75 1.15 0.00 0.00 0.00 175.76 177.21 3i01 h THR 184 N 5.71 0.91 0.00 0.00 2.02 -1.90 -2.22 112.91 117.42 3i01 h THR 184 Ca -0.41 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3i01 h THR 184 Cb 1.19 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3i01 h THR 184 CO 0.96 0.05 0.00 0.79 0.37 0.00 0.00 175.52 177.68 3i01 n TRP 185 N -5.02 0.09 -0.09 3.16 8.01 -1.26 -1.25 117.44 121.08 3i01 n TRP 185 Ca 0.00 0.04 -0.14 0.00 -1.31 0.00 0.00 57.50 56.09 3i01 n TRP 185 Cb 0.12 -0.56 -0.07 0.00 -2.01 0.00 0.00 31.31 28.79 3i01 n TRP 185 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3i01 h LEU 186 N 0.00 0.00 -1.03 -0.99 5.85 -1.81 -3.35 115.31 113.99 3i01 h LEU 186 Ca 0.00 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 3i01 h LEU 186 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3i01 h LEU 186 CO 0.00 1.17 -0.47 0.24 -0.34 0.00 0.00 178.44 179.04 3i01 h MET 187 N -1.00 0.00 -0.02 1.25 2.86 -1.25 -2.48 114.93 114.29 3i01 h MET 187 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3i01 h MET 187 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3i01 h MET 187 CO -0.12 0.47 -0.11 0.25 1.06 0.00 0.00 176.91 178.45 3i01 n THR 188 N -3.87 0.00 0.20 2.22 -2.24 -0.38 -4.02 114.28 106.20 3i01 n THR 188 Ca -0.01 -0.28 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3i01 n THR 188 Cb 0.50 0.78 0.07 0.00 -2.10 0.00 0.00 70.33 69.58 3i01 n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i01 n THR 189 N 0.22 0.34 -4.46 4.28 -2.24 -0.94 -4.98 114.28 106.49 3i01 n THR 189 Ca 0.15 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3i01 n THR 189 Cb 0.42 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 3i01 n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3i01 s ILE 190 N -0.84 1.90 1.02 2.28 -4.36 -1.15 -4.85 121.20 115.20 3i01 s ILE 190 Ca 0.13 -2.17 -0.15 0.00 -0.26 0.00 0.00 60.65 58.20 3i01 s ILE 190 Cb 0.08 -2.48 0.20 0.00 1.25 0.00 0.00 42.46 41.51 3i01 s ILE 190 CO 0.12 -0.29 1.14 0.54 0.24 0.00 0.00 174.94 176.69 3i01 s ASN 191 N -3.49 2.50 0.25 4.36 4.22 -1.26 -4.86 114.94 116.65 3i01 s ASN 191 Ca 0.30 0.85 0.04 0.00 -2.14 0.00 0.00 52.86 51.92 3i01 s ASN 191 Cb 0.02 -1.31 0.30 0.00 1.28 0.00 0.00 41.25 41.55 3i01 s ASN 191 CO 0.13 -3.17 1.60 -0.33 -2.04 0.00 0.00 177.10 173.29 3i01 h GLU 192 N -1.93 0.27 -0.92 3.55 4.39 -1.97 -2.30 114.58 115.68 3i01 h GLU 192 Ca -0.50 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.08 3i01 h GLU 192 Cb 1.31 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 3i01 h GLU 192 CO 0.51 0.74 0.59 0.78 -1.16 0.00 0.00 179.01 180.47 3i01 h GLY 193 N 1.35 1.34 0.92 -3.84 0.00 -1.94 -0.98 103.07 99.92 3i01 h GLY 193 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 3i01 h GLY 193 CO 0.08 0.38 -0.64 3.21 0.00 0.00 0.00 176.54 179.57 3i01 h ARG 194 N 1.15 0.53 -0.30 4.80 2.47 -1.81 -1.49 114.38 119.74 3i01 h ARG 194 Ca 0.37 -0.50 0.07 0.00 -1.26 0.00 0.00 59.98 58.66 3i01 h ARG 194 Cb 0.02 0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.38 3i01 h ARG 194 CO -0.12 1.13 -0.29 0.87 0.56 0.00 0.00 179.97 182.11 3i01 h LYS 195 N 0.11 -0.27 -0.27 0.04 1.57 -1.42 0.19 116.57 116.53 3i01 h LYS 195 Ca -0.06 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i01 h LYS 195 Cb 1.31 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 3i01 h LYS 195 CO 0.13 -0.18 0.16 0.93 -0.57 0.00 0.00 179.45 179.92 3i01 h GLU 196 N -0.28 0.37 0.11 3.15 5.08 -1.13 0.15 114.58 122.03 3i01 h GLU 196 Ca 0.15 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3i01 h GLU 196 Cb 0.51 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3i01 h GLU 196 CO -0.46 0.29 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.40 3i01 h LYS 197 N 0.34 -0.40 -0.11 2.33 1.63 -0.95 -1.36 116.57 118.06 3i01 h LYS 197 Ca 0.10 0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 3i01 h LYS 197 Cb 0.01 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3i01 h LYS 197 CO -0.02 -0.26 -0.43 0.74 -3.45 0.00 0.00 179.45 176.03 3i01 h PHE 198 N -0.41 0.29 0.20 1.91 0.05 -0.51 -0.85 116.94 117.62 3i01 h PHE 198 Ca 0.03 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.73 3i01 h PHE 198 Cb 0.43 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.32 3i01 h PHE 198 CO -0.21 0.64 -0.10 0.00 -0.18 0.00 0.00 178.31 178.46 3i01 h ARG 199 N 0.21 -0.26 0.00 1.51 3.08 -0.85 -2.00 114.38 116.06 3i01 h ARG 199 Ca 0.02 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3i01 h ARG 199 Cb 0.84 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3i01 h ARG 199 CO 0.07 -0.05 -0.24 1.79 -1.07 0.00 0.00 179.97 180.46 3i01 h THR 200 N -0.43 1.09 -0.29 2.04 1.35 -1.11 -2.09 112.91 113.48 3i01 h THR 200 Ca -0.03 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3i01 h THR 200 Cb 0.33 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3i01 h THR 200 CO 0.05 0.24 0.00 1.41 -0.25 0.00 0.00 175.52 176.96 3i01 n HIS 201 N -4.14 0.37 -3.86 4.73 8.25 -0.34 -4.98 115.22 115.24 3i01 n HIS 201 Ca -0.02 -0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 56.98 3i01 n HIS 201 Cb 0.30 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.43 3i01 n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i01 n ASN 202 N 0.91 -3.16 -0.15 0.41 5.15 -0.79 -4.91 115.26 112.72 3i01 n ASN 202 Ca 0.17 -0.82 0.01 0.00 -0.60 0.00 0.00 54.58 53.34 3i01 n ASN 202 Cb 0.46 -3.82 0.03 0.00 -0.53 0.00 0.00 39.78 35.93 3i01 n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i01 n VAL 203 N -4.51 0.95 -2.14 3.44 0.24 -0.83 -4.96 118.33 110.51 3i01 n VAL 203 Ca -0.10 -0.97 -0.42 0.00 -2.04 0.00 0.00 64.34 60.80 3i01 n VAL 203 Cb 0.59 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 3i01 n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i01 s VAL 204 N -0.96 3.76 0.28 3.34 1.01 -1.23 -4.21 120.40 122.39 3i01 s VAL 204 Ca 0.05 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 3i01 s VAL 204 Cb 0.03 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 3i01 s VAL 204 CO 0.04 -0.07 1.49 -2.16 0.00 0.00 0.00 175.10 174.39 3i01 s PRO 205 N 3.66 4.21 -0.03 2.72 0.04 -1.26 -4.88 135.00 139.47 3i01 s PRO 205 Ca 0.67 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 64.12 3i01 s PRO 205 Cb -0.30 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 3i01 s PRO 205 CO 0.25 -0.49 0.13 0.27 0.04 0.00 0.00 177.00 177.20 3i01 h PHE 206 N 4.71 -0.05 -3.47 0.56 -0.00 -1.89 0.64 116.94 117.45 3i01 h PHE 206 Ca -0.47 -0.00 -0.40 0.00 -0.00 0.00 0.00 57.97 57.10 3i01 h PHE 206 Cb 1.22 0.01 -0.17 0.00 -0.00 0.00 0.00 35.95 37.01 3i01 h PHE 206 CO 0.59 -0.03 -0.75 0.20 -0.00 0.00 0.00 178.31 178.32 3i01 s GLY 207 N -2.38 1.11 0.01 6.09 0.00 -1.11 -3.32 107.32 107.71 3i01 s GLY 207 Ca -0.01 -1.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.10 3i01 s GLY 207 CO 0.02 -1.44 1.15 -2.22 0.00 0.00 0.00 173.10 170.61 3i01 h ILE 208 N 3.28 0.46 -0.45 0.90 2.04 -0.95 -1.12 117.51 121.67 3i01 h ILE 208 Ca -0.39 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3i01 h ILE 208 Cb 1.20 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3i01 h ILE 208 CO 0.54 0.08 0.26 0.45 0.00 0.00 0.00 178.15 179.48 3i01 h HIS 209 N -0.92 0.60 -0.51 1.37 3.86 -1.81 -2.79 115.15 114.95 3i01 h HIS 209 Ca -0.06 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3i01 h HIS 209 Cb 0.56 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 3i01 h HIS 209 CO 0.02 0.44 0.33 0.00 0.86 0.00 0.00 177.93 179.58 3i01 h ALA 210 N 1.11 1.62 -0.51 2.45 0.00 -1.78 -1.25 119.26 120.91 3i01 h ALA 210 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 210 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3i01 h ALA 210 CO -0.03 0.34 -0.11 0.77 0.00 0.00 0.00 179.25 180.23 3i01 h SER 211 N 0.69 0.94 0.47 0.00 0.02 -1.03 -1.03 113.55 113.62 3i01 h SER 211 Ca 0.19 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3i01 h SER 211 Cb -0.07 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.22 3i01 h SER 211 CO -0.04 1.05 -0.23 0.40 -1.14 0.00 0.00 176.83 176.88 3i01 h ILE 212 N 0.84 0.52 -0.55 3.27 2.04 -1.20 -2.98 117.51 119.45 3i01 h ILE 212 Ca 0.13 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3i01 h ILE 212 Cb 0.64 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3i01 h ILE 212 CO 0.04 0.03 0.21 -1.28 0.00 0.00 0.00 178.15 177.16 3i01 h SER 213 N -0.75 0.73 -0.95 1.72 0.87 -1.25 -2.11 113.55 111.83 3i01 h SER 213 Ca -0.07 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 3i01 h SER 213 Cb 0.54 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 3i01 h SER 213 CO 0.11 0.67 0.63 -0.08 -0.53 0.00 0.00 176.83 177.63 3i01 h GLU 214 N 0.79 1.25 -0.11 2.24 4.57 -1.12 -0.62 114.58 121.59 3i01 h GLU 214 Ca 0.19 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 3i01 h GLU 214 Cb 0.17 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3i01 h GLU 214 CO -0.02 0.82 -0.71 1.25 -1.18 0.00 0.00 179.01 179.18 3i01 h LEU 215 N 1.28 0.57 -0.40 1.64 5.85 -1.27 -1.86 115.31 121.13 3i01 h LEU 215 Ca 0.35 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3i01 h LEU 215 Cb -0.15 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3i01 h LEU 215 CO -0.07 1.10 0.14 0.58 -0.34 0.00 0.00 178.44 179.85 3i01 h VAL 216 N 0.34 0.89 -0.25 1.05 2.07 -1.17 -1.51 116.25 117.66 3i01 h VAL 216 Ca -0.03 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3i01 h VAL 216 Cb 1.28 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3i01 h VAL 216 CO 0.13 0.06 -0.04 -1.13 0.02 0.00 0.00 177.57 176.60 3i01 h ASN 217 N 0.31 -0.18 0.06 0.57 -0.73 -1.09 -2.89 115.58 111.63 3i01 h ASN 217 Ca 0.18 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 3i01 h ASN 217 Cb 0.16 0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 3i01 h ASN 217 CO -0.18 -0.06 -0.00 1.56 -0.37 0.00 0.00 177.43 178.38 3i01 h GLN 218 N 0.03 0.00 0.00 6.67 4.20 -0.65 -1.77 115.11 123.58 3i01 h GLN 218 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3i01 h GLN 218 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3i01 h GLN 218 CO -0.24 0.00 -0.63 0.00 -0.67 0.00 0.00 178.83 177.30 3i01 n ALA 219 N -2.14 3.07 -1.65 3.87 0.00 -0.63 -2.95 120.51 120.08 3i01 n ALA 219 Ca -0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 3i01 n ALA 219 Cb 0.09 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.43 3i01 n ALA 219 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i01 n HIS 220 N -1.98 1.28 -1.55 0.00 -0.00 -0.67 -4.86 115.22 107.45 3i01 n HIS 220 Ca 0.04 0.46 -0.50 0.00 -0.00 0.00 0.00 57.72 57.71 3i01 n HIS 220 Cb 0.42 -2.21 -0.04 0.00 -0.00 0.00 0.00 29.99 28.15 3i01 n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3i01 n MET 221 N -0.82 0.89 -1.70 1.57 0.00 -1.26 -2.38 117.12 113.42 3i01 n MET 221 Ca 0.12 0.32 -0.13 0.00 -0.00 0.00 0.00 57.70 58.01 3i01 n MET 221 Cb 0.45 -1.75 -0.04 0.00 0.00 0.00 0.00 33.22 31.89 3i01 n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i01 n GLY 222 N 1.90 0.79 0.00 -5.12 0.00 -1.26 -4.97 105.19 96.53 3i01 n GLY 222 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3i01 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i01 n MET 223 N -2.48 0.00 -2.70 1.61 2.00 -1.00 -5.05 117.12 109.51 3i01 n MET 223 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.17 3i01 n MET 223 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.66 3i01 n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3i01 s ASP 224 N -1.00 7.48 -0.06 7.83 3.68 -1.15 -4.94 116.67 128.50 3i01 s ASP 224 Ca 0.00 1.99 0.09 0.00 2.13 0.00 0.00 52.55 56.76 3i01 s ASP 224 Cb 0.00 -2.61 0.13 0.00 -1.45 0.00 0.00 42.92 39.00 3i01 s ASP 224 CO 0.00 0.03 1.05 -3.20 0.13 0.00 0.00 175.17 173.18 3i01 n ASN 225 N 1.19 1.18 -4.48 -0.34 5.15 -1.26 -4.97 115.26 111.72 3i01 n ASN 225 Ca -0.01 -2.46 -0.38 0.00 -0.60 0.00 0.00 54.58 51.13 3i01 n ASN 225 Cb 0.47 -0.29 -0.12 0.00 -0.53 0.00 0.00 39.78 39.32 3i01 n ASN 225 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i01 s ASP 226 N -1.83 5.52 0.27 1.20 -1.08 -1.26 -4.86 116.67 114.62 3i01 s ASP 226 Ca 0.15 -0.27 0.04 0.00 -0.52 0.00 0.00 52.55 51.94 3i01 s ASP 226 Cb 0.13 -2.00 0.37 0.00 -1.46 0.00 0.00 42.92 39.96 3i01 s ASP 226 CO 0.01 -0.10 1.67 1.55 0.52 0.00 0.00 175.17 178.82 3i01 h PRO 227 N 8.32 0.36 -0.03 4.34 0.13 -1.97 -1.61 132.00 141.55 3i01 h PRO 227 Ca -0.35 -0.17 -0.24 0.00 -0.87 0.00 0.00 66.00 64.36 3i01 h PRO 227 Cb 1.17 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 3i01 h PRO 227 CO 0.59 0.70 -0.95 0.28 -0.23 0.00 0.00 178.00 178.39 3i01 h VAL 228 N 0.31 1.32 -0.53 1.56 2.07 -1.99 -2.10 116.25 116.90 3i01 h VAL 228 Ca 0.03 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.29 3i01 h VAL 228 Cb 0.83 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3i01 h VAL 228 CO 0.07 0.69 0.34 -1.13 0.02 0.00 0.00 177.57 177.57 3i01 h ASN 229 N 0.36 0.61 -0.38 0.57 -1.24 -1.95 -0.46 115.58 113.09 3i01 h ASN 229 Ca -0.10 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 56.76 3i01 h ASN 229 Cb 1.59 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.48 3i01 h ASN 229 CO 0.18 0.45 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.46 3i01 h LEU 230 N 0.71 0.91 -0.33 0.34 3.38 -1.26 -2.46 115.31 116.61 3i01 h LEU 230 Ca 0.19 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3i01 h LEU 230 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3i01 h LEU 230 CO -0.04 1.11 -0.17 0.58 0.09 0.00 0.00 178.44 180.01 3i01 h VAL 231 N 0.76 1.29 -0.38 1.22 2.07 -1.22 -1.10 116.25 118.89 3i01 h VAL 231 Ca 0.10 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3i01 h VAL 231 Cb 0.80 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3i01 h VAL 231 CO 0.07 0.42 0.07 -0.26 0.02 0.00 0.00 177.57 177.89 3i01 h PHE 232 N 0.47 0.58 -0.13 1.57 -1.00 -1.06 -0.85 116.94 116.51 3i01 h PHE 232 Ca 0.07 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 3i01 h PHE 232 Cb 0.71 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 3i01 h PHE 232 CO 0.06 0.52 -0.04 1.03 -1.61 0.00 0.00 178.31 178.26 3i01 h SER 233 N 0.55 0.27 -0.99 2.17 0.87 -1.26 -1.00 113.55 114.17 3i01 h SER 233 Ca 0.13 -0.38 0.22 0.00 -1.23 0.00 0.00 61.79 60.53 3i01 h SER 233 Cb 0.24 -0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 3i01 h SER 233 CO -0.00 0.59 0.58 0.00 -0.53 0.00 0.00 176.83 177.47 3i01 h ALA 234 N 0.69 1.70 -0.53 6.23 0.00 -0.89 -1.75 119.26 124.71 3i01 h ALA 234 Ca 0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 234 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3i01 h ALA 234 CO 0.02 -0.19 0.06 0.82 0.00 0.00 0.00 179.25 179.96 3i01 h ILE 235 N 0.63 1.26 -0.81 0.00 2.04 -0.94 -0.05 117.51 119.64 3i01 h ILE 235 Ca 0.61 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3i01 h ILE 235 Cb 1.08 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3i01 h ILE 235 CO -0.44 0.35 0.40 -0.09 0.00 0.00 0.00 178.15 178.36 3i01 h ARG 236 N 0.76 1.16 -0.51 2.37 2.43 -0.61 0.51 114.38 120.50 3i01 h ARG 236 Ca 0.16 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3i01 h ARG 236 Cb 0.43 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3i01 h ARG 236 CO 0.01 0.89 0.18 0.28 -1.51 0.00 0.00 179.97 179.82 3i01 h VAL 237 N 1.15 1.22 -0.31 0.20 2.07 -1.22 -0.63 116.25 118.73 3i01 h VAL 237 Ca 0.28 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3i01 h VAL 237 Cb 0.10 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3i01 h VAL 237 CO -0.04 0.27 0.16 0.00 0.02 0.00 0.00 177.57 177.98 3i01 h ALA 238 N 1.03 0.40 0.00 1.67 0.00 -0.41 0.05 119.26 122.00 3i01 h ALA 238 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i01 h ALA 238 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i01 h ALA 238 CO -0.01 -0.05 -0.08 -0.07 0.00 0.00 0.00 179.25 179.03 3i01 h LEU 239 N 0.37 0.00 -0.52 0.00 3.38 -0.79 -1.47 115.31 116.28 3i01 h LEU 239 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 239 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i01 h LEU 239 CO -0.02 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.42 3i01 h ALA 240 N 1.92 0.72 -0.00 1.53 0.00 -0.23 -2.15 119.26 121.04 3i01 h ALA 240 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3i01 h ALA 240 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3i01 h ALA 240 CO 0.01 0.68 -0.15 0.22 0.00 0.00 0.00 179.25 180.01 3i01 h ASP 241 N 0.88 -0.43 -0.61 0.00 3.58 -0.36 -1.58 116.42 117.90 3i01 h ASP 241 Ca 0.12 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.74 3i01 h ASP 241 Cb 0.76 0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.91 3i01 h ASP 241 CO 0.06 -0.21 0.18 0.22 -2.88 0.00 0.00 179.24 176.61 3i01 h TYR 242 N -0.25 0.29 -0.19 0.28 3.20 -1.27 0.40 116.97 119.44 3i01 h TYR 242 Ca 0.05 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3i01 h TYR 242 Cb 0.31 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3i01 h TYR 242 CO -0.20 0.03 -0.14 1.15 -1.64 0.00 0.00 178.16 177.35 3i01 h THR 243 N 0.33 0.59 -0.63 1.81 2.02 -0.91 -1.43 112.91 114.68 3i01 h THR 243 Ca 0.31 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 3i01 h THR 243 Cb 0.44 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3i01 h THR 243 CO -0.36 0.00 0.09 1.23 0.37 0.00 0.00 175.52 176.85 3i01 h GLY 244 N -0.15 1.11 1.01 2.16 0.00 -0.94 -1.77 103.07 104.48 3i01 h GLY 244 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3i01 h GLY 244 CO -0.28 0.67 0.40 0.83 0.00 0.00 0.00 176.54 178.17 3i01 h GLU 245 N 0.96 0.81 -0.01 4.80 5.08 -0.48 -1.82 114.58 123.93 3i01 h GLU 245 Ca 0.19 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3i01 h GLU 245 Cb 0.43 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3i01 h GLU 245 CO 0.01 0.54 -0.68 1.25 -1.00 0.00 0.00 179.01 179.13 3i01 h HIS 246 N 0.83 0.07 0.29 4.33 2.76 -1.01 -0.92 115.15 121.52 3i01 h HIS 246 Ca 0.22 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3i01 h HIS 246 Cb -0.09 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3i01 h HIS 246 CO -0.03 0.72 -0.20 0.82 -1.30 0.00 0.00 177.93 177.94 3i01 h ILE 247 N 0.04 0.58 -0.22 6.26 2.04 -1.24 -1.59 117.51 123.37 3i01 h ILE 247 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3i01 h ILE 247 Cb 1.21 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3i01 h ILE 247 CO 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.12 3i01 h ALA 248 N 0.20 0.05 -0.10 1.87 0.00 -0.92 -1.02 119.26 119.34 3i01 h ALA 248 Ca -0.02 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 248 Cb 0.41 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3i01 h ALA 248 CO 0.01 -0.55 0.00 1.15 0.00 0.00 0.00 179.25 179.87 3i01 h THR 249 N -0.11 0.94 -0.37 0.00 2.02 -1.21 0.78 112.91 114.96 3i01 h THR 249 Ca 0.12 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.34 3i01 h THR 249 Cb 0.29 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3i01 h THR 249 CO -0.29 0.01 0.08 0.44 0.37 0.00 0.00 175.52 176.13 3i01 h ASP 250 N 0.04 0.03 1.32 4.18 3.32 -1.03 -1.23 116.42 123.05 3i01 h ASP 250 Ca 0.04 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 3i01 h ASP 250 Cb 0.05 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3i01 h ASP 250 CO -0.07 0.05 -0.63 -0.26 -1.72 0.00 0.00 179.24 176.61 3i01 h PHE 251 N 0.21 0.00 -0.48 4.55 0.04 -1.11 -1.29 116.94 118.86 3i01 h PHE 251 Ca 0.18 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 3i01 h PHE 251 Cb 0.20 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3i01 h PHE 251 CO -0.19 0.63 -0.17 0.77 -0.60 0.00 0.00 178.31 178.75 3i01 h SER 252 N 0.00 0.96 0.01 2.17 0.02 -0.55 -2.35 113.55 113.81 3i01 h SER 252 Ca -0.01 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3i01 h SER 252 Cb 1.45 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3i01 h SER 252 CO 0.08 1.11 -0.02 0.44 -1.14 0.00 0.00 176.83 177.30 3i01 h ASP 253 N 0.83 -0.07 -0.57 3.07 3.32 -1.13 -0.34 116.42 121.53 3i01 h ASP 253 Ca 0.12 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3i01 h ASP 253 Cb 0.73 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 3i01 h ASP 253 CO 0.06 -0.04 0.31 0.40 -1.72 0.00 0.00 179.24 178.25 3i01 h ILE 254 N -0.05 0.98 0.00 0.35 2.04 -1.21 0.10 117.51 119.72 3i01 h ILE 254 Ca 0.01 -0.20 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 3i01 h ILE 254 Cb 0.06 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3i01 h ILE 254 CO -0.02 0.11 -0.78 -0.07 0.00 0.00 0.00 178.15 177.38 3i01 h LEU 255 N 0.60 0.00 -0.28 1.44 3.38 -1.45 0.12 115.31 119.12 3i01 h LEU 255 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i01 h LEU 255 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i01 h LEU 255 CO -0.16 0.73 0.00 0.49 0.09 0.00 0.00 178.44 179.59 3i01 n PHE 256 N -3.26 0.00 0.00 1.13 0.99 -0.14 -3.84 117.46 112.34 3i01 n PHE 256 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i01 n PHE 256 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.31 3i01 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i01 n GLY 257 N 0.45 2.24 3.68 1.37 0.00 0.35 -4.98 105.19 108.30 3i01 n GLY 257 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3i01 n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i01 s THR 258 N -1.05 3.74 0.44 2.61 2.01 -1.24 -4.38 115.64 117.76 3i01 s THR 258 Ca 0.00 1.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.81 3i01 s THR 258 Cb 0.00 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 3i01 s THR 258 CO 0.00 -0.04 0.95 -2.65 -0.69 0.00 0.00 174.62 172.19 3i01 n PRO 259 N 5.96 1.21 -4.32 4.92 -0.02 -1.26 -5.04 135.00 136.46 3i01 n PRO 259 Ca 0.14 0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 61.89 3i01 n PRO 259 Cb 0.43 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 3i01 n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i01 s GLN 260 N -2.03 1.30 0.33 -0.52 -1.52 -1.18 -4.10 119.66 111.95 3i01 s GLN 260 Ca 0.64 -1.64 -0.28 0.00 -1.95 0.00 0.00 55.36 52.14 3i01 s GLN 260 Cb -0.55 -0.65 -0.13 0.00 -0.22 0.00 0.00 33.01 31.46 3i01 s GLN 260 CO 0.56 -0.05 1.22 -2.30 -0.25 0.00 0.00 175.29 174.47 3i01 n PRO 261 N -0.39 1.94 -3.61 2.91 -0.02 -1.20 -4.25 135.00 130.38 3i01 n PRO 261 Ca -0.06 0.68 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 3i01 n PRO 261 Cb 0.63 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 3i01 n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i01 s VAL 262 N -1.09 0.01 -0.04 -1.45 0.11 -0.40 -4.95 120.40 112.58 3i01 s VAL 262 Ca 0.56 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 3i01 s VAL 262 Cb -0.59 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 3i01 s VAL 262 CO 0.62 -0.02 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.61 3i01 s VAL 263 N -0.40 3.77 0.00 2.04 1.01 -1.26 -0.89 120.40 124.66 3i01 s VAL 263 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3i01 s VAL 263 Cb -0.03 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3i01 s VAL 263 CO 0.05 0.51 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 3i01 n SER 264 N 1.91 0.00 -4.24 3.32 2.88 -0.43 -4.87 113.62 112.19 3i01 n SER 264 Ca -0.17 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 3i01 n SER 264 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 3i01 n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i01 s GLU 265 N 0.83 1.22 -0.06 -1.46 2.02 -1.26 -0.98 118.70 119.01 3i01 s GLU 265 Ca 0.00 -1.64 -0.17 0.00 0.02 0.00 0.00 54.97 53.18 3i01 s GLU 265 Cb 0.00 0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.29 3i01 s GLU 265 CO 0.00 -0.31 0.39 0.00 0.02 0.00 0.00 175.26 175.37 3i01 s ALA 266 N -3.95 -1.00 0.00 5.21 0.00 -0.23 -2.03 121.76 119.77 3i01 s ALA 266 Ca 0.35 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3i01 s ALA 266 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3i01 s ALA 266 CO 0.10 -0.26 0.00 -1.71 0.00 0.00 0.00 175.76 173.89 3i01 n ASN 267 N 1.70 0.00 0.00 0.00 2.85 -0.72 -1.34 115.26 117.75 3i01 n ASN 267 Ca -0.19 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.33 3i01 n ASN 267 Cb 0.56 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.82 3i01 n ASN 267 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 3i01 n MET 268 N 1.63 0.18 0.04 1.20 2.81 -1.07 -1.71 117.12 120.19 3i01 n MET 268 Ca 0.00 0.14 0.13 0.00 -1.81 0.00 0.00 57.70 56.16 3i01 n MET 268 Cb 0.00 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.38 3i01 n MET 268 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i01 n GLY 269 N -0.51 -1.48 0.26 3.03 0.00 -0.87 -2.57 105.19 103.05 3i01 n GLY 269 Ca 0.05 -0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.07 3i01 n GLY 269 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i01 h VAL 270 N 0.00 0.00 -4.08 1.61 -1.51 -1.57 -3.45 116.25 107.25 3i01 h VAL 270 Ca 0.00 -0.22 -0.51 0.00 -1.23 0.00 0.00 66.70 64.73 3i01 h VAL 270 Cb 0.62 1.11 0.09 0.00 -2.13 0.00 0.00 31.29 30.98 3i01 h VAL 270 CO 0.00 0.00 0.45 -0.76 -1.23 0.00 0.00 177.57 176.03 3i01 s LEU 271 N -5.68 3.74 -0.11 4.19 1.43 -1.06 -5.03 118.68 116.16 3i01 s LEU 271 Ca -0.01 2.27 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 3i01 s LEU 271 Cb 0.10 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.81 3i01 s LEU 271 CO 0.43 -1.34 0.11 -0.62 0.23 0.00 0.00 176.35 175.15 3i01 s ASP 272 N -1.66 1.48 0.06 2.29 -1.08 -1.26 -5.03 116.67 111.47 3i01 s ASP 272 Ca 0.74 -0.13 0.12 0.00 -0.52 0.00 0.00 52.55 52.76 3i01 s ASP 272 Cb -0.27 -0.03 0.51 0.00 -1.46 0.00 0.00 42.92 41.67 3i01 s ASP 272 CO 0.30 -0.29 1.36 -0.81 0.52 0.00 0.00 175.17 176.25 3i01 n PRO 273 N 5.30 0.04 -0.09 4.34 -0.04 -1.26 -2.09 135.00 141.20 3i01 n PRO 273 Ca -0.05 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 3i01 n PRO 273 Cb 0.50 -1.59 0.10 0.00 -0.04 0.00 0.00 33.50 32.47 3i01 n PRO 273 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i01 n ASP 274 N -1.67 2.45 -4.82 3.54 8.00 -1.26 -4.94 116.55 117.85 3i01 n ASP 274 Ca 0.02 -1.73 -0.22 0.00 0.71 0.00 0.00 54.79 53.57 3i01 n ASP 274 Cb 0.11 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3i01 n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i01 s GLN 275 N -0.99 2.48 -0.44 -1.24 -0.21 -0.89 -1.15 119.66 117.22 3i01 s GLN 275 Ca 0.19 -1.55 -0.28 0.00 0.02 0.00 0.00 55.36 53.74 3i01 s GLN 275 Cb 0.11 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.86 3i01 s GLN 275 CO 0.16 -0.07 1.05 0.08 -2.12 0.00 0.00 175.29 174.38 3i01 s VAL 276 N -2.45 4.36 -0.47 1.09 1.01 0.29 -4.88 120.40 119.35 3i01 s VAL 276 Ca 0.44 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 3i01 s VAL 276 Cb -0.02 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.88 3i01 s VAL 276 CO 0.26 -0.85 0.86 0.20 0.00 0.00 0.00 175.10 175.57 3i01 s ASN 277 N 2.25 6.44 -0.25 3.32 0.01 -1.26 0.13 114.94 125.58 3i01 s ASN 277 Ca 0.43 -0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.53 3i01 s ASN 277 Cb -0.09 -2.42 0.03 0.00 0.41 0.00 0.00 41.25 39.18 3i01 s ASN 277 CO 0.27 -1.01 -0.06 0.12 -1.51 0.00 0.00 177.10 174.91 3i01 s PHE 278 N 3.57 3.09 -0.17 2.20 5.36 -0.37 -1.85 117.98 129.81 3i01 s PHE 278 Ca 0.33 -1.61 -0.20 0.00 -0.96 0.00 0.00 56.93 54.49 3i01 s PHE 278 Cb -0.11 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3i01 s PHE 278 CO 0.24 -0.74 0.57 0.08 -1.46 0.00 0.00 175.22 173.91 3i01 s VAL 279 N 1.31 5.08 -0.39 3.12 1.01 0.21 -2.36 120.40 128.39 3i01 s VAL 279 Ca -0.01 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 3i01 s VAL 279 Cb -0.17 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3i01 s VAL 279 CO -0.04 0.19 0.45 -0.76 0.00 0.00 0.00 175.10 174.94 3i01 s LEU 280 N 1.44 4.61 0.10 3.92 1.43 -0.15 -1.38 118.68 128.64 3i01 s LEU 280 Ca 0.28 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3i01 s LEU 280 Cb -0.16 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 3i01 s LEU 280 CO 0.11 -0.51 -0.11 -2.28 0.23 0.00 0.00 176.35 173.79 3i01 s HIS 281 N 2.22 1.12 0.00 0.29 2.46 -1.06 -0.90 115.29 119.41 3i01 s HIS 281 Ca 0.14 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 55.07 3i01 s HIS 281 Cb -0.16 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 3i01 s HIS 281 CO 0.13 0.03 0.00 0.41 -2.47 0.00 0.00 174.74 172.84 3i01 n GLY 282 N 0.68 0.75 0.00 1.59 0.00 -1.26 -2.88 105.19 104.07 3i01 n GLY 282 Ca -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3i01 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i01 n HIS 283 N 0.00 0.00 -3.39 1.61 8.25 -1.21 -0.78 115.22 119.70 3i01 n HIS 283 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3i01 n HIS 283 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3i01 n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3i01 s ASN 284 N -1.68 6.28 0.00 0.41 3.04 -1.26 -4.13 114.94 117.60 3i01 s ASN 284 Ca 0.00 0.33 0.16 0.00 0.04 0.00 0.00 52.86 53.39 3i01 s ASN 284 Cb 0.00 -2.21 0.81 0.00 -1.54 0.00 0.00 41.25 38.31 3i01 s ASN 284 CO 0.00 -0.17 1.49 -0.81 -3.04 0.00 0.00 177.10 174.56 3i01 n PRO 285 N 5.22 0.20 0.13 0.43 -0.04 -1.26 -2.33 135.00 137.34 3i01 n PRO 285 Ca -0.08 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 3i01 n PRO 285 Cb 0.51 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.09 3i01 n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i01 h LEU 286 N 0.00 0.08 0.00 1.53 3.38 -2.00 -1.19 115.31 117.12 3i01 h LEU 286 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 286 Cb 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i01 h LEU 286 CO 0.00 0.06 -0.15 0.25 0.09 0.00 0.00 178.44 178.69 3i01 h LEU 287 N 0.10 0.00 -0.68 1.67 5.85 -1.89 -3.39 115.31 116.96 3i01 h LEU 287 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3i01 h LEU 287 Cb 0.32 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3i01 h LEU 287 CO -0.01 0.51 0.36 0.77 -0.34 0.00 0.00 178.44 179.73 3i01 h SER 288 N -0.88 0.87 -0.50 1.25 4.64 -1.58 -0.33 113.55 117.01 3i01 h SER 288 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3i01 h SER 288 Cb 0.15 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 3i01 h SER 288 CO 0.00 0.73 0.32 -0.33 -0.87 0.00 0.00 176.83 176.68 3i01 h GLU 289 N 0.94 0.68 -0.05 4.77 4.39 -1.49 0.12 114.58 123.94 3i01 h GLU 289 Ca 0.24 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.64 3i01 h GLU 289 Cb 0.07 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3i01 h GLU 289 CO -0.04 0.47 -0.94 0.82 -1.16 0.00 0.00 179.01 178.16 3i01 h ILE 290 N 0.70 1.29 -0.36 3.13 1.08 -1.40 -2.43 117.51 119.52 3i01 h ILE 290 Ca 0.19 -2.17 0.03 0.00 -0.39 0.00 0.00 64.86 62.52 3i01 h ILE 290 Cb -0.05 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 3i01 h ILE 290 CO -0.04 0.67 0.15 0.40 -0.69 0.00 0.00 178.15 178.65 3i01 h ILE 291 N 0.43 0.94 -0.51 -0.67 1.08 -0.64 0.11 117.51 118.25 3i01 h ILE 291 Ca -0.10 -0.11 0.10 0.00 -0.39 0.00 0.00 64.86 64.36 3i01 h ILE 291 Cb 1.58 0.59 -0.10 0.00 -3.07 0.00 0.00 36.82 35.83 3i01 h ILE 291 CO 0.19 0.06 -0.10 0.58 -0.69 0.00 0.00 178.15 178.19 3i01 h VAL 292 N 0.32 0.51 0.25 1.67 2.07 -0.69 -0.04 116.25 120.34 3i01 h VAL 292 Ca 0.16 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3i01 h VAL 292 Cb 0.10 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3i01 h VAL 292 CO -0.13 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.73 3i01 h GLN 293 N 0.02 -0.32 -0.98 1.57 4.15 -0.88 -2.66 115.11 116.02 3i01 h GLN 293 Ca 0.25 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.85 3i01 h GLN 293 Cb 0.39 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 3i01 h GLN 293 CO -0.51 -0.10 0.61 0.00 -1.93 0.00 0.00 178.83 176.90 3i01 h ALA 294 N 0.23 1.68 -0.33 3.38 0.00 -0.56 -2.90 119.26 120.76 3i01 h ALA 294 Ca -0.03 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3i01 h ALA 294 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i01 h ALA 294 CO 0.06 0.03 -0.41 0.00 0.00 0.00 0.00 179.25 178.93 3i01 h ALA 295 N 1.59 0.65 -1.15 0.00 0.00 -0.65 0.15 119.26 119.85 3i01 h ALA 295 Ca 0.51 -0.46 0.34 0.00 0.00 0.00 0.00 54.91 55.31 3i01 h ALA 295 Cb 0.71 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 3i01 h ALA 295 CO -0.28 0.67 0.73 0.00 0.00 0.00 0.00 179.25 180.37 3i01 h ARG 296 N 0.67 0.24 -0.01 0.00 3.08 -1.36 -1.94 114.38 115.06 3i01 h ARG 296 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3i01 h ARG 296 Cb 0.98 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3i01 h ARG 296 CO 0.09 0.16 -0.16 0.39 -1.07 0.00 0.00 179.97 179.39 3i01 n GLU 297 N -4.70 1.10 -0.11 0.04 1.02 0.51 -4.03 120.64 114.47 3i01 n GLU 297 Ca 0.31 -0.62 0.05 0.00 -0.02 0.00 0.00 57.16 56.88 3i01 n GLU 297 Cb 1.12 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 31.15 3i01 n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3i01 n MET 298 N -0.41 2.55 -0.07 3.49 2.81 -0.73 -4.63 117.12 120.12 3i01 n MET 298 Ca 0.15 -2.03 -0.12 0.00 -1.81 0.00 0.00 57.70 53.88 3i01 n MET 298 Cb 0.34 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3i01 n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i01 h GLU 299 N 0.63 0.81 -0.95 0.03 4.39 -1.69 -1.93 114.58 115.87 3i01 h GLU 299 Ca 0.00 -0.46 0.15 0.00 0.34 0.00 0.00 59.36 59.39 3i01 h GLU 299 Cb 0.78 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.38 3i01 h GLU 299 CO 0.03 1.09 0.60 0.78 -1.16 0.00 0.00 179.01 180.35 3i01 h GLY 300 N 0.84 1.42 1.61 -3.84 0.00 -1.89 -1.91 103.07 99.29 3i01 h GLY 300 Ca 0.04 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 46.76 3i01 h GLY 300 CO 0.10 0.07 -1.23 -2.09 0.00 0.00 0.00 176.54 173.39 3i01 h GLU 301 N 0.76 0.29 -0.25 4.80 4.81 -1.69 -1.18 114.58 122.12 3i01 h GLU 301 Ca 0.49 -0.48 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3i01 h GLU 301 Cb 0.74 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3i01 h GLU 301 CO -0.26 1.22 -0.12 0.00 -0.73 0.00 0.00 179.01 179.13 3i01 h ALA 302 N 0.58 0.36 -0.42 2.92 0.00 -1.32 -2.50 119.26 118.87 3i01 h ALA 302 Ca -0.13 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3i01 h ALA 302 Cb 1.95 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 3i01 h ALA 302 CO 0.20 0.22 0.13 0.87 0.00 0.00 0.00 179.25 180.68 3i01 h LYS 303 N 0.26 0.28 -0.21 0.00 1.57 -1.33 -0.35 116.57 116.79 3i01 h LYS 303 Ca 0.06 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3i01 h LYS 303 Cb 0.62 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3i01 h LYS 303 CO 0.04 0.19 0.19 0.00 -0.57 0.00 0.00 179.45 179.29 3i01 h ALA 304 N 1.28 2.00 -0.00 3.86 0.00 -1.14 -1.45 119.26 123.81 3i01 h ALA 304 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i01 h ALA 304 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i01 h ALA 304 CO -0.21 -0.30 -0.17 0.00 0.00 0.00 0.00 179.25 178.57 3i01 n ALA 305 N -2.45 2.88 0.00 0.00 0.00 -0.21 -4.93 120.51 115.80 3i01 n ALA 305 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3i01 n ALA 305 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3i01 n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 306 N 1.32 0.74 3.87 0.00 0.00 -0.54 -4.75 105.19 105.84 3i01 n GLY 306 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3i01 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ALA 307 N -2.00 3.25 -0.30 4.61 0.00 -0.80 -4.95 121.76 121.58 3i01 s ALA 307 Ca 0.00 -0.16 0.25 0.00 0.00 0.00 0.00 51.96 52.05 3i01 s ALA 307 Cb 0.00 -2.84 0.56 0.00 0.00 0.00 0.00 23.12 20.84 3i01 s ALA 307 CO 0.00 -0.26 1.69 0.87 0.00 0.00 0.00 175.76 178.06 3i01 h LYS 308 N 0.67 0.00 0.00 0.00 1.57 -1.43 -3.33 116.57 114.06 3i01 h LYS 308 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3i01 h LYS 308 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3i01 h LYS 308 CO 0.62 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 3i01 n GLY 309 N 0.85 -1.88 3.64 3.86 0.00 -1.26 -4.91 105.19 105.50 3i01 n GLY 309 Ca 0.03 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3i01 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 310 N -2.43 5.21 -0.50 -0.61 1.01 -1.26 -0.55 121.20 122.06 3i01 s ILE 310 Ca 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 3i01 s ILE 310 Cb 0.00 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.92 3i01 s ILE 310 CO 0.00 0.23 0.29 0.21 0.00 0.00 0.00 174.94 175.67 3i01 s ASN 311 N 1.29 5.13 0.04 3.58 2.47 0.35 -4.90 114.94 122.90 3i01 s ASN 311 Ca 0.16 -2.47 -0.30 0.00 0.42 0.00 0.00 52.86 50.67 3i01 s ASN 311 Cb -0.15 -1.81 -0.04 0.00 -1.45 0.00 0.00 41.25 37.80 3i01 s ASN 311 CO 0.08 -0.43 0.99 -0.76 -3.72 0.00 0.00 177.10 173.26 3i01 s LEU 312 N 0.50 4.41 0.09 3.21 1.43 -1.26 -1.24 118.68 125.82 3i01 s LEU 312 Ca 0.13 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 3i01 s LEU 312 Cb -0.22 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 3i01 s LEU 312 CO -0.04 -0.22 -0.11 0.68 0.23 0.00 0.00 176.35 176.89 3i01 s VAL 313 N 0.70 1.01 0.20 -1.59 -7.23 -0.99 -4.32 120.40 108.18 3i01 s VAL 313 Ca 0.51 -1.56 0.09 0.00 -1.81 0.00 0.00 61.98 59.21 3i01 s VAL 313 Cb -0.22 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3i01 s VAL 313 CO 0.29 -0.47 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.68 3i01 s GLY 314 N -2.28 1.72 0.02 2.32 0.00 -0.33 -0.98 107.32 107.80 3i01 s GLY 314 Ca 0.04 -1.54 0.06 0.00 0.00 0.00 0.00 44.72 43.27 3i01 s GLY 314 CO 0.01 -1.58 -0.17 -0.42 0.00 0.00 0.00 173.10 170.95 3i01 s ILE 315 N -1.87 1.33 0.00 0.90 1.01 -0.08 -0.23 121.20 122.26 3i01 s ILE 315 Ca 0.26 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3i01 s ILE 315 Cb -0.08 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3i01 s ILE 315 CO 0.16 0.20 0.00 0.00 0.00 0.00 0.00 174.94 175.30 3i01 h THR 318 N 0.38 1.14 -0.61 0.00 1.03 -1.10 0.44 112.91 114.20 3i01 h THR 318 Ca 0.03 -0.43 -0.05 0.00 -0.01 0.00 0.00 66.41 65.95 3i01 h THR 318 Cb 0.94 0.66 -0.03 0.00 -1.07 0.00 0.00 68.15 68.66 3i01 h THR 318 CO 0.08 0.17 0.20 1.23 -0.01 0.00 0.00 175.52 177.19 3i01 h GLY 319 N 0.68 1.00 0.99 2.99 0.00 -1.13 -2.02 103.07 105.59 3i01 h GLY 319 Ca 0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i01 h GLY 319 CO -0.02 0.55 0.29 3.43 0.00 0.00 0.00 176.54 180.80 3i01 h ASN 320 N 0.86 0.56 -0.52 0.19 2.35 -0.55 0.18 115.58 118.65 3i01 h ASN 320 Ca 0.20 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 3i01 h ASN 320 Cb 0.27 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 3i01 h ASN 320 CO -0.01 0.44 0.11 -0.33 -1.65 0.00 0.00 177.43 175.99 3i01 h GLU 321 N 0.63 0.24 0.00 0.81 4.39 0.17 0.80 114.58 121.62 3i01 h GLU 321 Ca 0.17 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3i01 h GLU 321 Cb -0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3i01 h GLU 321 CO -0.03 0.16 -0.87 -0.39 -1.16 0.00 0.00 179.01 176.71 3i01 h VAL 322 N 0.24 0.77 -0.04 3.13 -1.51 -1.23 -2.40 116.25 115.21 3i01 h VAL 322 Ca 0.26 -2.19 0.03 0.00 -1.23 0.00 0.00 66.70 63.57 3i01 h VAL 322 Cb 0.35 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.76 3i01 h VAL 322 CO -0.34 0.44 -0.21 0.25 -1.23 0.00 0.00 177.57 176.48 3i01 h LEU 323 N 0.00 -0.62 -1.10 4.19 5.85 -0.54 0.44 115.31 123.52 3i01 h LEU 323 Ca -0.06 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3i01 h LEU 323 Cb 1.48 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 3i01 h LEU 323 CO 0.06 -0.27 0.03 0.24 -0.34 0.00 0.00 178.44 178.16 3i01 h MET 324 N -0.31 0.66 0.00 1.25 2.86 -0.70 -2.25 114.93 116.43 3i01 h MET 324 Ca 0.07 -0.15 -0.22 0.00 -2.06 0.00 0.00 59.70 57.35 3i01 h MET 324 Cb 0.41 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3i01 h MET 324 CO -0.22 0.66 -2.10 0.54 1.06 0.00 0.00 176.91 176.85 3i01 n ARG 325 N -4.26 0.94 0.00 1.72 1.74 -0.92 -4.29 116.66 111.59 3i01 n ARG 325 Ca 0.02 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i01 n ARG 325 Cb 0.26 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3i01 n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i01 n GLN 326 N -2.49 -0.26 -0.98 5.56 1.13 0.15 -4.98 117.38 115.51 3i01 n GLN 326 Ca -0.21 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.53 3i01 n GLN 326 Cb 0.89 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.50 3i01 n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i01 n GLY 327 N -0.03 0.70 3.70 1.08 0.00 -0.82 -4.93 105.19 104.89 3i01 n GLY 327 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i01 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 328 N -2.86 2.52 0.76 -0.61 -1.09 -1.02 -4.74 121.20 114.15 3i01 s ILE 328 Ca 0.00 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.42 3i01 s ILE 328 Cb 0.00 -3.09 0.05 0.00 -1.58 0.00 0.00 42.46 37.85 3i01 s ILE 328 CO 0.00 0.00 1.15 -2.16 -1.23 0.00 0.00 174.94 172.70 3i01 s PRO 329 N 2.35 2.10 0.01 2.79 0.04 -1.26 -3.70 135.00 137.33 3i01 s PRO 329 Ca 0.78 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 3i01 s PRO 329 Cb -0.46 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 3i01 s PRO 329 CO 0.35 -1.81 0.38 -0.51 0.04 0.00 0.00 177.00 175.45 3i01 s LEU 330 N -5.50 4.43 -0.18 -3.56 1.43 -0.86 -1.18 118.68 113.26 3i01 s LEU 330 Ca 0.69 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3i01 s LEU 330 Cb -0.24 -2.66 -0.22 0.00 0.03 0.00 0.00 46.19 43.11 3i01 s LEU 330 CO 0.49 0.29 0.12 0.55 0.23 0.00 0.00 176.35 178.03 3i01 n VAL 331 N 1.56 1.59 -3.70 -1.59 3.14 0.68 -1.75 118.33 118.26 3i01 n VAL 331 Ca -0.13 -0.67 -0.04 0.00 -2.96 0.00 0.00 64.34 60.54 3i01 n VAL 331 Cb 0.53 -1.35 0.02 0.00 -1.06 0.00 0.00 33.84 31.97 3i01 n VAL 331 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3i01 n THR 332 N -3.24 0.00 -3.81 1.55 5.66 -1.24 -2.61 114.28 110.59 3i01 n THR 332 Ca -0.36 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 3i01 n THR 332 Cb 1.04 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 3i01 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i01 n SER 333 N -1.26 1.11 0.04 1.09 3.41 -1.26 -3.98 113.62 112.77 3i01 n SER 333 Ca -0.04 -0.81 -0.12 0.00 -0.26 0.00 0.00 58.87 57.63 3i01 n SER 333 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 3i01 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i01 h PHE 334 N 0.81 -1.11 0.00 7.33 3.57 -1.95 -2.72 116.94 122.88 3i01 h PHE 334 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i01 h PHE 334 Cb 0.00 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3i01 h PHE 334 CO 0.00 -0.47 -0.02 0.00 -2.23 0.00 0.00 178.31 175.59 3i01 h ALA 335 N 0.11 1.00 -0.36 2.41 0.00 -1.97 -3.07 119.26 117.39 3i01 h ALA 335 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i01 h ALA 335 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3i01 h ALA 335 CO -0.34 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 3i01 n SER 336 N -3.12 4.08 -0.32 0.00 3.41 -1.04 -4.69 113.62 111.94 3i01 n SER 336 Ca 0.01 -2.78 0.12 0.00 -0.26 0.00 0.00 58.87 55.96 3i01 n SER 336 Cb 0.34 -0.52 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 3i01 n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i01 h GLN 337 N 2.39 0.58 -0.39 4.33 3.07 -1.42 -2.41 115.11 121.25 3i01 h GLN 337 Ca 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 58.65 58.59 3i01 h GLN 337 Cb 1.40 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.82 3i01 h GLN 337 CO 0.23 0.38 -0.21 0.93 0.09 0.00 0.00 178.83 180.25 3i01 h GLU 338 N 0.59 0.84 -0.24 0.06 5.08 -1.88 -2.99 114.58 116.05 3i01 h GLU 338 Ca 0.56 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3i01 h GLU 338 Cb 0.94 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3i01 h GLU 338 CO -0.43 1.01 0.22 -0.07 -1.00 0.00 0.00 179.01 178.74 3i01 h LEU 339 N 0.65 0.00 -0.97 1.33 -0.00 -1.78 -0.28 115.31 114.26 3i01 h LEU 339 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3i01 h LEU 339 Cb 0.77 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.39 3i01 h LEU 339 CO 0.06 0.00 0.60 0.00 -0.00 0.00 0.00 178.44 179.10 3i01 h ALA 340 N 1.79 1.24 -0.00 1.53 0.00 -1.37 -2.59 119.26 119.85 3i01 h ALA 340 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 340 Cb 0.55 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i01 h ALA 340 CO -0.00 0.67 -0.55 0.82 0.00 0.00 0.00 179.25 180.19 3i01 h ILE 341 N 1.32 1.39 0.00 0.00 2.04 -1.17 -2.87 117.51 118.23 3i01 h ILE 341 Ca 0.35 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3i01 h ILE 341 Cb -0.08 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3i01 h ILE 341 CO -0.07 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.62 3i01 h THR 343 N 0.00 1.12 0.00 0.00 1.35 -1.45 -3.44 112.91 110.49 3i01 h THR 343 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3i01 h THR 343 Cb 0.20 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3i01 h THR 343 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 3i01 n GLY 344 N -1.43 0.77 1.01 5.82 0.00 -0.63 -0.57 105.19 110.16 3i01 n GLY 344 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3i01 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 345 N -1.27 2.45 -2.62 4.61 0.00 -1.26 -4.83 120.51 117.60 3i01 n ALA 345 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 3i01 n ALA 345 Cb 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 3i01 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i01 s ILE 346 N -1.76 4.83 -0.03 0.00 -1.09 -1.26 -4.36 121.20 117.52 3i01 s ILE 346 Ca 0.34 1.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.98 3i01 s ILE 346 Cb 0.21 -4.11 -0.24 0.00 -1.58 0.00 0.00 42.46 36.74 3i01 s ILE 346 CO 0.31 -0.20 0.71 0.44 -1.23 0.00 0.00 174.94 174.96 3i01 h ASP 347 N 8.07 0.17 -3.85 3.58 3.32 -1.69 -3.37 116.42 122.65 3i01 h ASP 347 Ca -0.25 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 3i01 h ASP 347 Cb 1.10 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.36 3i01 h ASP 347 CO 0.86 1.27 -0.21 0.00 -1.72 0.00 0.00 179.24 179.44 3i01 s ALA 348 N -2.60 -1.07 -0.31 3.45 0.00 -1.12 -2.79 121.76 117.31 3i01 s ALA 348 Ca -0.09 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 3i01 s ALA 348 Cb 0.08 -0.72 0.06 0.00 0.00 0.00 0.00 23.12 22.54 3i01 s ALA 348 CO 0.82 -0.21 0.02 1.41 0.00 0.00 0.00 175.76 177.80 3i01 s MET 349 N 0.30 2.29 -0.31 0.00 1.75 -0.40 0.64 119.30 123.56 3i01 s MET 349 Ca -0.01 -1.39 -0.12 0.00 -1.25 0.00 0.00 55.69 52.93 3i01 s MET 349 Cb -0.03 -3.21 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 3i01 s MET 349 CO -0.00 -0.70 0.21 0.00 -0.65 0.00 0.00 175.02 173.88 3i01 s VAL 351 N 1.74 2.35 0.00 0.00 -7.23 -0.32 -2.57 120.40 114.37 3i01 s VAL 351 Ca 0.06 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 3i01 s VAL 351 Cb -0.17 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.34 3i01 s VAL 351 CO 0.11 -0.32 0.00 -0.90 -0.31 0.00 0.00 175.10 173.67 3i01 n ASP 352 N -0.68 0.00 -3.86 4.85 5.68 -1.14 -2.80 116.55 118.60 3i01 n ASP 352 Ca -0.05 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.12 3i01 n ASP 352 Cb 0.61 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.46 3i01 n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i01 s VAL 353 N 0.00 -0.00 0.00 2.12 -7.23 -1.26 -4.46 120.40 109.57 3i01 s VAL 353 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3i01 s VAL 353 Cb 0.00 -0.04 0.00 0.00 0.56 0.00 0.00 36.38 36.90 3i01 s VAL 353 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 3i01 n GLN 354 N 3.11 0.00 -2.30 4.82 6.02 -1.26 -3.32 117.38 124.45 3i01 n GLN 354 Ca -0.13 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.76 3i01 n GLN 354 Cb 0.59 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.84 3i01 n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i01 s ILE 356 N -2.86 5.20 -0.23 0.00 1.01 -1.26 -4.87 121.20 118.18 3i01 s ILE 356 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 3i01 s ILE 356 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3i01 s ILE 356 CO 0.00 -0.05 1.44 -0.04 0.00 0.00 0.00 174.94 176.29 3i01 s MET 357 N 1.95 3.94 0.20 2.79 -1.94 -1.26 -4.87 119.30 120.10 3i01 s MET 357 Ca 0.10 1.53 0.20 0.00 -1.71 0.00 0.00 55.69 55.81 3i01 s MET 357 Cb -0.17 -3.93 0.88 0.00 2.01 0.00 0.00 34.83 33.63 3i01 s MET 357 CO 0.11 -1.10 1.61 -0.35 -0.01 0.00 0.00 175.02 175.28 3i01 n PRO 358 N 7.32 0.14 0.29 2.03 -0.04 -1.26 -1.84 135.00 141.64 3i01 n PRO 358 Ca 0.16 0.43 0.18 0.00 -0.04 0.00 0.00 63.50 64.23 3i01 n PRO 358 Cb 0.46 -1.79 0.97 0.00 -0.04 0.00 0.00 33.50 33.10 3i01 n PRO 358 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i01 h SER 359 N 0.00 0.00 -1.41 3.54 4.64 -1.98 -2.55 113.55 115.78 3i01 h SER 359 Ca 0.00 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.76 3i01 h SER 359 Cb 0.26 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.25 3i01 h SER 359 CO 0.00 0.00 0.95 0.16 -0.87 0.00 0.00 176.83 177.07 3i01 h ILE 360 N 0.00 0.16 -0.12 0.95 3.07 -1.76 0.61 117.51 120.42 3i01 h ILE 360 Ca 0.03 -0.03 -0.22 0.00 1.55 0.00 0.00 64.86 66.19 3i01 h ILE 360 Cb 0.26 0.07 0.01 0.00 -0.27 0.00 0.00 36.82 36.89 3i01 h ILE 360 CO -0.00 0.02 -0.80 0.77 -1.05 0.00 0.00 178.15 177.08 3i01 h SER 361 N 0.08 0.84 0.19 2.16 4.64 -1.72 -0.46 113.55 119.29 3i01 h SER 361 Ca 0.80 -0.57 -0.13 0.00 -0.47 0.00 0.00 61.79 61.43 3i01 h SER 361 Cb 2.70 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 64.52 3i01 h SER 361 CO -0.28 1.36 -0.47 0.00 -0.87 0.00 0.00 176.83 176.56 3i01 h ALA 362 N 0.62 0.95 0.16 5.18 0.00 -1.38 -2.78 119.26 122.02 3i01 h ALA 362 Ca -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3i01 h ALA 362 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i01 h ALA 362 CO 0.16 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.26 3i01 h VAL 363 N 0.27 0.97 -0.23 0.00 2.07 -0.87 -3.17 116.25 115.28 3i01 h VAL 363 Ca 0.02 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3i01 h VAL 363 Cb 0.93 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3i01 h VAL 363 CO 0.08 0.15 0.16 0.00 0.02 0.00 0.00 177.57 177.98 3i01 h ALA 364 N 0.23 2.03 -0.10 1.67 0.00 -1.07 -0.59 119.26 121.43 3i01 h ALA 364 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 364 Cb 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i01 h ALA 364 CO 0.04 -0.08 0.09 1.49 0.00 0.00 0.00 179.25 180.79 3i01 h GLU 365 N 0.15 0.00 0.00 0.00 4.81 -1.46 0.64 114.58 118.72 3i01 h GLU 365 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3i01 h GLU 365 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3i01 h GLU 365 CO -0.02 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.23 3i01 n TYR 367 N -1.68 0.00 -0.62 0.00 4.02 0.22 -5.03 117.16 114.07 3i01 n TYR 367 Ca 0.07 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.04 3i01 n TYR 367 Cb 0.36 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 39.97 3i01 n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3i01 n HIS 368 N 0.00 1.15 -2.35 -0.72 8.25 -1.26 -4.98 115.22 115.31 3i01 n HIS 368 Ca 0.00 -0.65 -0.41 0.00 -0.26 0.00 0.00 57.72 56.40 3i01 n HIS 368 Cb 0.00 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 3i01 n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i01 s THR 369 N -1.91 3.31 -0.24 1.59 2.01 -1.23 -4.90 115.64 114.26 3i01 s THR 369 Ca 0.43 1.25 -0.08 0.00 0.31 0.00 0.00 61.69 63.60 3i01 s THR 369 Cb 0.29 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3i01 s THR 369 CO 0.19 0.27 0.10 -0.13 -0.69 0.00 0.00 174.62 174.36 3i01 s ARG 370 N -1.18 3.81 -0.05 4.92 1.81 -1.12 -4.69 118.95 122.44 3i01 s ARG 370 Ca 0.48 -0.40 -0.20 0.00 -1.72 0.00 0.00 55.73 53.88 3i01 s ARG 370 Cb -0.34 -3.40 -0.05 0.00 -0.45 0.00 0.00 34.95 30.71 3i01 s ARG 370 CO 0.43 -0.09 0.58 0.42 -0.68 0.00 0.00 175.30 175.96 3i01 s ILE 371 N 1.40 5.02 -0.25 1.52 -1.09 -1.26 -1.28 121.20 125.26 3i01 s ILE 371 Ca 0.06 1.20 -0.01 0.00 -2.23 0.00 0.00 60.65 59.67 3i01 s ILE 371 Cb -0.15 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 36.89 3i01 s ILE 371 CO 0.05 0.36 0.03 -0.63 -1.23 0.00 0.00 174.94 173.52 3i01 s ILE 372 N 0.26 1.05 0.47 2.92 1.01 -0.37 -1.83 121.20 124.71 3i01 s ILE 372 Ca 0.31 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3i01 s ILE 372 Cb -0.17 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3i01 s ILE 372 CO 0.15 -0.35 0.81 0.42 0.00 0.00 0.00 174.94 175.97 3i01 s THR 373 N 1.58 4.83 0.00 2.92 -4.23 0.23 -1.17 115.64 119.80 3i01 s THR 373 Ca 0.02 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3i01 s THR 373 Cb -0.18 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3i01 s THR 373 CO -0.13 -0.75 0.00 0.35 -0.54 0.00 0.00 174.62 173.55 3i01 n THR 374 N -1.92 0.00 -3.92 3.99 -2.24 -1.12 -0.99 114.28 108.08 3i01 n THR 374 Ca 0.02 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 3i01 n THR 374 Cb 0.55 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 3i01 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 s ALA 375 N -0.04 3.84 -0.95 6.98 0.00 -1.26 -2.25 121.76 128.08 3i01 s ALA 375 Ca 0.00 -0.67 0.18 0.00 0.00 0.00 0.00 51.96 51.47 3i01 s ALA 375 Cb 0.00 -1.92 0.77 0.00 0.00 0.00 0.00 23.12 21.97 3i01 s ALA 375 CO 0.00 0.63 1.58 -0.40 0.00 0.00 0.00 175.76 177.57 3i01 n ASP 376 N 1.88 0.07 -0.65 0.00 5.68 -1.26 -2.35 116.55 119.91 3i01 n ASP 376 Ca -0.19 0.51 0.07 0.00 -0.50 0.00 0.00 54.79 54.68 3i01 n ASP 376 Cb 0.55 -0.53 0.19 0.00 -1.14 0.00 0.00 41.12 40.19 3i01 n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i01 n ASN 377 N -1.57 3.25 -3.39 -1.12 0.23 -1.26 -4.85 115.26 106.55 3i01 n ASN 377 Ca 0.04 -2.58 -0.17 0.00 -0.53 0.00 0.00 54.58 51.34 3i01 n ASN 377 Cb 0.21 -0.38 -0.09 0.00 -2.08 0.00 0.00 39.78 37.44 3i01 n ASN 377 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i01 s ALA 378 N -2.03 -0.40 0.11 -2.53 0.00 -0.99 -5.05 121.76 110.87 3i01 s ALA 378 Ca 0.31 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.73 3i01 s ALA 378 Cb 0.23 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3i01 s ALA 378 CO 0.10 -1.88 -0.19 0.15 0.00 0.00 0.00 175.76 173.94 3i01 s LYS 379 N 1.98 1.12 -0.11 0.00 1.02 -1.26 -4.34 119.74 118.14 3i01 s LYS 379 Ca 0.12 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.90 3i01 s LYS 379 Cb -0.15 -1.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.91 3i01 s LYS 379 CO -0.21 0.29 -0.01 0.42 -0.92 0.00 0.00 175.35 174.91 3i01 s ILE 380 N -1.43 0.60 0.45 2.17 1.01 -1.26 -5.11 121.20 117.63 3i01 s ILE 380 Ca 0.08 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 3i01 s ILE 380 Cb -0.09 -0.78 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 3i01 s ILE 380 CO 0.04 0.20 1.25 -2.65 0.00 0.00 0.00 174.94 173.78 3i01 n PRO 381 N 5.07 1.80 0.00 2.79 -0.02 -1.26 -2.16 135.00 141.21 3i01 n PRO 381 Ca -0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3i01 n PRO 381 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3i01 n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 382 N 0.86 2.13 3.57 -1.23 0.00 -1.26 -4.87 105.19 104.39 3i01 n GLY 382 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3i01 n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ALA 383 N -2.34 2.95 0.47 4.61 0.00 -0.92 -4.91 121.76 121.61 3i01 s ALA 383 Ca 0.00 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 3i01 s ALA 383 Cb 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 3i01 s ALA 383 CO 0.00 0.60 1.27 0.71 0.00 0.00 0.00 175.76 178.34 3i01 s TYR 384 N -1.32 2.68 -0.07 0.00 4.12 -0.76 -4.83 117.35 117.18 3i01 s TYR 384 Ca 0.22 1.45 0.04 0.00 0.02 0.00 0.00 57.07 58.80 3i01 s TYR 384 Cb -0.11 -3.60 0.00 0.00 -1.52 0.00 0.00 41.96 36.73 3i01 s TYR 384 CO 0.14 -2.11 -0.19 -1.58 0.02 0.00 0.00 175.55 171.82 3i01 s HIS 385 N -1.38 2.03 -0.17 2.71 5.65 -1.26 -0.60 115.29 122.27 3i01 s HIS 385 Ca 0.64 -0.71 -0.02 0.00 0.25 0.00 0.00 55.06 55.21 3i01 s HIS 385 Cb -0.35 -1.38 -0.01 0.00 -1.18 0.00 0.00 32.58 29.66 3i01 s HIS 385 CO 0.43 -0.28 -0.07 0.42 -0.65 0.00 0.00 174.74 174.59 3i01 s ILE 386 N 0.24 3.35 -1.20 0.89 1.01 -0.16 -4.96 121.20 120.37 3i01 s ILE 386 Ca -0.11 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 3i01 s ILE 386 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3i01 s ILE 386 CO 0.05 0.48 1.88 -0.62 0.00 0.00 0.00 174.94 176.72 3i01 s ASP 387 N 0.84 5.52 -0.11 3.58 2.15 -1.26 -4.08 116.67 123.31 3i01 s ASP 387 Ca -0.02 -1.81 -0.29 0.00 0.43 0.00 0.00 52.55 50.85 3i01 s ASP 387 Cb -0.15 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 3i01 s ASP 387 CO 0.01 -2.55 1.46 -0.47 -0.17 0.00 0.00 175.17 173.45 3i01 s TYR 388 N 9.15 2.40 0.03 -5.34 5.04 -0.95 -5.00 117.35 122.68 3i01 s TYR 388 Ca 0.64 0.59 0.07 0.00 -2.44 0.00 0.00 57.07 55.94 3i01 s TYR 388 Cb 0.00 -3.72 -0.02 0.00 0.35 0.00 0.00 41.96 38.57 3i01 s TYR 388 CO 0.11 -2.79 -0.21 -0.65 -1.34 0.00 0.00 175.55 170.66 3i01 s GLN 389 N 3.79 1.51 0.55 4.97 -0.21 -1.26 -4.91 119.66 124.09 3i01 s GLN 389 Ca 0.64 -0.91 0.25 0.00 0.02 0.00 0.00 55.36 55.37 3i01 s GLN 389 Cb -0.27 -1.58 1.56 0.00 1.00 0.00 0.00 33.01 33.71 3i01 s GLN 389 CO 0.22 0.41 2.17 1.79 -2.12 0.00 0.00 175.29 177.76 3i01 h THR 390 N 4.42 0.68 0.00 -0.19 1.35 -1.96 -1.68 112.91 115.52 3i01 h THR 390 Ca -0.42 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 3i01 h THR 390 Cb 1.15 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3i01 h THR 390 CO 0.45 0.05 -0.18 0.00 -0.25 0.00 0.00 175.52 175.59 3i01 h ALA 391 N 1.95 1.04 -0.19 6.62 0.00 -1.95 -3.25 119.26 123.47 3i01 h ALA 391 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3i01 h ALA 391 Cb 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.70 3i01 h ALA 391 CO 0.01 0.23 -0.70 0.25 0.00 0.00 0.00 179.25 179.04 3i01 n THR 392 N -3.36 1.85 0.17 0.00 -2.24 -0.65 -4.77 114.28 105.28 3i01 n THR 392 Ca 0.00 -3.06 -0.14 0.00 -2.27 0.00 0.00 64.05 58.58 3i01 n THR 392 Cb 0.40 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 3i01 n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 h ALA 393 N 1.36 -0.41 -0.91 6.98 0.00 -1.56 -2.52 119.26 122.20 3i01 h ALA 393 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 393 Cb 1.28 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3i01 h ALA 393 CO 0.19 -0.64 0.60 0.97 0.00 0.00 0.00 179.25 180.38 3i01 h ILE 394 N -0.60 1.22 -0.53 0.00 6.09 -1.90 0.48 117.51 122.27 3i01 h ILE 394 Ca -0.04 -0.42 -0.11 0.00 -1.37 0.00 0.00 64.86 62.92 3i01 h ILE 394 Cb 0.43 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.60 3i01 h ILE 394 CO 0.07 0.22 -0.09 1.05 -3.07 0.00 0.00 178.15 176.33 3i01 h GLU 395 N 1.22 0.98 -0.66 2.19 4.11 -1.92 -0.15 114.58 120.35 3i01 h GLU 395 Ca 0.34 -0.34 0.01 0.00 0.07 0.00 0.00 59.36 59.43 3i01 h GLU 395 Cb -0.12 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3i01 h GLU 395 CO -0.08 1.02 0.44 0.77 0.07 0.00 0.00 179.01 181.23 3i01 h SER 396 N 0.88 0.76 -0.53 3.06 0.02 -1.13 -1.16 113.55 115.44 3i01 h SER 396 Ca 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3i01 h SER 396 Cb 0.64 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3i01 h SER 396 CO 0.04 0.55 0.24 0.00 -1.14 0.00 0.00 176.83 176.52 3i01 h ALA 397 N 1.24 0.68 -0.56 3.77 0.00 -0.61 -2.45 119.26 121.34 3i01 h ALA 397 Ca 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3i01 h ALA 397 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3i01 h ALA 397 CO -0.05 0.26 0.07 0.87 0.00 0.00 0.00 179.25 180.40 3i01 h LYS 398 N 0.71 0.91 -0.63 0.00 1.57 -0.94 -0.99 116.57 117.20 3i01 h LYS 398 Ca 0.18 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i01 h LYS 398 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3i01 h LYS 398 CO -0.02 0.86 0.41 1.15 -0.57 0.00 0.00 179.45 181.28 3i01 h THR 399 N 0.86 1.15 0.45 -0.16 2.02 -0.95 0.42 112.91 116.70 3i01 h THR 399 Ca 0.17 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3i01 h THR 399 Cb 0.40 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3i01 h THR 399 CO 0.01 0.15 -0.22 0.00 0.37 0.00 0.00 175.52 175.84 3i01 h ALA 400 N 1.24 -0.61 -1.00 6.16 0.00 -0.94 -1.47 119.26 122.64 3i01 h ALA 400 Ca 0.23 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.19 3i01 h ALA 400 Cb -0.08 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 3i01 h ALA 400 CO -0.06 -0.79 0.62 0.82 0.00 0.00 0.00 179.25 179.84 3i01 h ILE 401 N -0.71 0.67 -0.13 0.00 2.04 -1.01 -1.45 117.51 116.92 3i01 h ILE 401 Ca -0.06 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 3i01 h ILE 401 Cb 0.52 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3i01 h ILE 401 CO 0.10 0.12 -0.32 0.03 0.00 0.00 0.00 178.15 178.09 3i01 h ARG 402 N 0.67 0.25 -0.00 2.37 3.08 -0.32 -1.51 114.38 118.92 3i01 h ARG 402 Ca 0.58 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.46 3i01 h ARG 402 Cb 1.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3i01 h ARG 402 CO -0.36 0.55 -0.30 0.52 -1.07 0.00 0.00 179.97 179.31 3i01 h MET 403 N 0.22 0.01 -0.04 0.04 2.86 -0.26 -2.01 114.93 115.75 3i01 h MET 403 Ca 0.03 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3i01 h MET 403 Cb 0.68 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3i01 h MET 403 CO 0.05 0.31 -0.12 0.00 1.06 0.00 0.00 176.91 178.21 3i01 h ALA 404 N 1.69 0.06 -0.72 6.32 0.00 -0.70 -2.28 119.26 123.64 3i01 h ALA 404 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 404 Cb 0.54 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3i01 h ALA 404 CO 0.04 -0.03 0.35 0.82 0.00 0.00 0.00 179.25 180.43 3i01 h ILE 405 N -0.42 0.83 -0.27 0.00 2.04 -1.27 0.60 117.51 119.02 3i01 h ILE 405 Ca -0.00 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3i01 h ILE 405 Cb 0.75 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3i01 h ILE 405 CO 0.03 0.11 0.10 -0.33 0.00 0.00 0.00 178.15 178.05 3i01 h GLU 406 N 0.59 0.21 -0.82 2.37 4.39 -1.41 -1.69 114.58 118.23 3i01 h GLU 406 Ca 0.36 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 3i01 h GLU 406 Cb 0.40 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3i01 h GLU 406 CO -0.28 0.14 0.41 0.00 -1.16 0.00 0.00 179.01 178.12 3i01 h ALA 407 N 1.17 1.05 0.09 3.43 0.00 -0.64 -1.64 119.26 122.71 3i01 h ALA 407 Ca 0.12 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 407 Cb 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3i01 h ALA 407 CO -0.12 0.60 -0.39 0.35 0.00 0.00 0.00 179.25 179.70 3i01 h PHE 408 N 1.15 -1.08 -0.72 0.00 3.57 0.42 -1.41 116.94 118.88 3i01 h PHE 408 Ca 0.28 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.94 3i01 h PHE 408 Cb 0.09 0.46 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 3i01 h PHE 408 CO 0.01 -0.49 0.29 0.87 -2.23 0.00 0.00 178.31 176.76 3i01 h LYS 409 N -0.60 0.44 -0.90 1.11 1.57 -1.07 -1.07 116.57 116.05 3i01 h LYS 409 Ca 0.03 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3i01 h LYS 409 Cb 0.64 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3i01 h LYS 409 CO -0.24 0.29 0.59 0.93 -0.57 0.00 0.00 179.45 180.44 3i01 h GLU 410 N 0.45 1.02 0.06 3.15 5.08 -0.76 -1.54 114.58 122.04 3i01 h GLU 410 Ca 0.38 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.42 3i01 h GLU 410 Cb 0.54 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i01 h GLU 410 CO -0.37 0.67 -1.11 0.07 -1.00 0.00 0.00 179.01 177.27 3i01 h ARG 411 N 1.05 0.50 -0.22 2.33 0.11 -0.14 -2.79 114.38 115.22 3i01 h ARG 411 Ca 0.38 -0.62 -0.04 0.00 0.10 0.00 0.00 59.98 59.80 3i01 h ARG 411 Cb 0.15 0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 3i01 h ARG 411 CO -0.13 1.25 -0.04 0.87 0.10 0.00 0.00 179.97 182.01 3i01 h LYS 412 N 0.24 0.33 0.00 0.08 1.79 -1.10 -2.31 116.57 115.60 3i01 h LYS 412 Ca -0.13 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3i01 h LYS 412 Cb 1.77 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 3i01 h LYS 412 CO 0.20 0.39 0.00 0.93 -1.08 0.00 0.00 179.45 179.89 3i01 h GLU 413 N 0.32 0.00 0.00 3.15 5.08 -1.23 -3.22 114.58 118.68 3i01 h GLU 413 Ca 0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3i01 h GLU 413 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3i01 h GLU 413 CO 0.01 0.00 -1.66 -1.13 -1.00 0.00 0.00 179.01 175.23 3i01 n SER 414 N -2.93 0.67 0.00 1.42 3.41 -0.94 -4.97 113.62 110.28 3i01 n SER 414 Ca 0.03 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3i01 n SER 414 Cb 0.45 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3i01 n SER 414 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i01 n ASN 415 N -2.85 -2.90 -4.75 4.04 4.13 -0.92 -4.93 115.26 107.09 3i01 n ASN 415 Ca -0.14 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.79 3i01 n ASN 415 Cb 0.91 -2.80 0.08 0.00 -1.54 0.00 0.00 39.78 36.43 3i01 n ASN 415 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3i01 s ARG 416 N -1.39 2.40 0.49 3.52 0.52 -1.26 -4.89 118.95 118.35 3i01 s ARG 416 Ca 0.00 1.48 -0.22 0.00 -0.52 0.00 0.00 55.73 56.48 3i01 s ARG 416 Cb 0.00 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 3i01 s ARG 416 CO 0.00 -1.58 0.92 -0.35 0.02 0.00 0.00 175.30 174.31 3i01 n PRO 417 N -2.78 1.09 -5.14 3.54 -0.04 -1.26 -5.04 135.00 125.36 3i01 n PRO 417 Ca 0.11 0.40 -0.29 0.00 -0.04 0.00 0.00 63.50 63.68 3i01 n PRO 417 Cb 0.52 -2.02 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 3i01 n PRO 417 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i01 s VAL 418 N -1.41 1.81 -0.24 0.52 -7.23 -1.26 -4.74 120.40 107.85 3i01 s VAL 418 Ca 0.68 -0.98 -0.00 0.00 -1.81 0.00 0.00 61.98 59.87 3i01 s VAL 418 Cb -0.50 -1.51 0.07 0.00 0.56 0.00 0.00 36.38 35.00 3i01 s VAL 418 CO 0.54 0.51 -0.01 -0.47 -0.31 0.00 0.00 175.10 175.36 3i01 s TYR 419 N -0.51 2.04 -0.32 2.82 5.04 0.26 -5.04 117.35 121.65 3i01 s TYR 419 Ca 0.08 -1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 53.12 3i01 s TYR 419 Cb -0.09 -1.51 0.06 0.00 0.35 0.00 0.00 41.96 40.77 3i01 s TYR 419 CO -0.01 -0.75 0.03 0.42 -1.34 0.00 0.00 175.55 173.91 3i01 s ILE 420 N 1.51 3.01 0.27 3.14 1.01 -1.26 -4.29 121.20 124.59 3i01 s ILE 420 Ca -0.02 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.80 3i01 s ILE 420 Cb -0.18 -2.80 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 3i01 s ILE 420 CO -0.09 -0.22 1.30 -2.65 0.00 0.00 0.00 174.94 173.29 3i01 n PRO 421 N 4.60 1.91 -2.52 2.79 -0.01 -1.26 -4.82 135.00 135.69 3i01 n PRO 421 Ca -0.11 0.68 -0.42 0.00 -0.01 0.00 0.00 63.50 63.64 3i01 n PRO 421 Cb 0.43 -2.26 0.01 0.00 -0.01 0.00 0.00 33.50 31.66 3i01 n PRO 421 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 3i01 n GLN 422 N 1.41 4.38 -3.74 -0.52 1.13 -1.26 -3.41 117.38 115.37 3i01 n GLN 422 Ca 0.10 -4.02 -0.26 0.00 -1.94 0.00 0.00 57.00 50.88 3i01 n GLN 422 Cb 0.32 -2.66 -0.17 0.00 0.11 0.00 0.00 30.24 27.84 3i01 n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i01 s ILE 423 N -1.67 0.41 0.15 5.09 1.01 -1.26 -4.97 121.20 119.96 3i01 s ILE 423 Ca 0.40 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 3i01 s ILE 423 Cb 0.11 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.82 3i01 s ILE 423 CO -0.00 -0.02 0.41 -1.59 0.00 0.00 0.00 174.94 173.74 3i01 s LYS 424 N 1.93 1.17 0.13 2.79 -2.85 -1.26 -2.05 119.74 119.59 3i01 s LYS 424 Ca 0.02 -0.85 0.05 0.00 -1.00 0.00 0.00 55.97 54.19 3i01 s LYS 424 Cb -0.15 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 3i01 s LYS 424 CO -0.07 -0.46 -0.12 -0.80 0.10 0.00 0.00 175.35 173.99 3i01 s ASN 425 N -2.86 1.89 0.44 0.03 0.01 -0.45 -4.94 114.94 109.06 3i01 s ASN 425 Ca 0.07 -0.87 -0.23 0.00 -0.71 0.00 0.00 52.86 51.12 3i01 s ASN 425 Cb 0.01 -0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.54 3i01 s ASN 425 CO -0.07 -0.21 1.06 -0.60 -1.51 0.00 0.00 177.10 175.77 3i01 s ARG 426 N -3.01 3.99 -0.00 -0.60 3.52 -1.26 -1.06 118.95 120.52 3i01 s ARG 426 Ca 0.11 1.51 0.02 0.00 -0.13 0.00 0.00 55.73 57.23 3i01 s ARG 426 Cb -0.03 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 3i01 s ARG 426 CO 0.02 -0.30 -0.05 0.08 -0.81 0.00 0.00 175.30 174.24 3i01 s VAL 427 N -1.74 0.42 -0.12 7.11 1.01 -0.15 -3.78 120.40 123.16 3i01 s VAL 427 Ca 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 3i01 s VAL 427 Cb -0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3i01 s VAL 427 CO 0.26 0.08 -0.11 -0.69 0.00 0.00 0.00 175.10 174.64 3i01 s VAL 428 N -0.21 3.24 0.00 2.92 1.01 0.15 -1.31 120.40 126.19 3i01 s VAL 428 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3i01 s VAL 428 Cb -0.03 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3i01 s VAL 428 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 3i01 n ALA 429 N 3.28 0.00 -0.22 5.51 0.00 -0.07 -4.50 120.51 124.50 3i01 n ALA 429 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i01 n ALA 429 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i01 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 430 N 0.00 0.87 2.84 0.00 0.00 -1.23 -1.27 105.19 106.39 3i01 n GLY 430 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3i01 n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i01 n TRP 431 N -2.22 3.30 -0.69 1.61 7.02 -0.81 -3.07 117.44 122.56 3i01 n TRP 431 Ca 0.00 -2.89 -0.32 0.00 -1.02 0.00 0.00 57.50 53.27 3i01 n TRP 431 Cb 0.00 -2.24 0.16 0.00 -2.42 0.00 0.00 31.31 26.81 3i01 n TRP 431 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3i01 n SER 432 N 5.02 -1.88 0.20 -0.99 3.41 -1.26 -4.32 113.62 113.81 3i01 n SER 432 Ca 0.45 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 3i01 n SER 432 Cb 0.38 -1.15 0.44 0.00 -0.26 0.00 0.00 64.21 63.61 3i01 n SER 432 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i01 h LEU 433 N -1.94 0.00 -0.53 1.04 5.85 -1.92 -2.45 115.31 115.36 3i01 h LEU 433 Ca -0.50 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3i01 h LEU 433 Cb 1.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3i01 h LEU 433 CO 0.38 0.30 0.25 -0.33 -0.34 0.00 0.00 178.44 178.70 3i01 h GLU 434 N 0.00 0.77 -0.61 1.25 3.07 -1.91 -0.76 114.58 116.40 3i01 h GLU 434 Ca -0.00 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.65 3i01 h GLU 434 Cb 0.57 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3i01 h GLU 434 CO 0.04 0.65 0.06 0.00 -1.40 0.00 0.00 179.01 178.36 3i01 h ALA 435 N 1.09 0.81 -0.39 3.43 0.00 -1.72 -1.73 119.26 120.74 3i01 h ALA 435 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3i01 h ALA 435 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i01 h ALA 435 CO -0.02 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.66 3i01 h LEU 436 N 0.94 0.77 -1.28 0.00 3.38 -1.26 -0.33 115.31 117.53 3i01 h LEU 436 Ca 0.18 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3i01 h LEU 436 Cb 0.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3i01 h LEU 436 CO 0.02 0.96 0.07 0.74 0.09 0.00 0.00 178.44 180.32 3i01 h THR 437 N 0.57 1.18 0.07 0.22 2.02 -1.10 -0.93 112.91 114.94 3i01 h THR 437 Ca 0.10 -0.67 -0.25 0.00 0.77 0.00 0.00 66.41 66.36 3i01 h THR 437 Cb 0.63 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3i01 h THR 437 CO 0.04 0.24 -1.10 0.50 0.37 0.00 0.00 175.52 175.57 3i01 h LYS 438 N 0.55 0.32 -0.01 6.66 3.64 -0.91 0.82 116.57 127.65 3i01 h LYS 438 Ca 0.13 -0.45 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 3i01 h LYS 438 Cb 0.24 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3i01 h LYS 438 CO -0.00 1.16 -0.09 1.25 -2.27 0.00 0.00 179.45 179.50 3i01 h LEU 439 N 0.14 -0.27 -1.57 5.20 5.85 -0.91 -2.90 115.31 120.84 3i01 h LEU 439 Ca -0.11 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3i01 h LEU 439 Cb 1.79 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 3i01 h LEU 439 CO 0.18 -0.14 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.86 3i01 h LEU 440 N -0.16 0.00 -1.97 2.25 3.38 -1.14 -2.94 115.31 114.73 3i01 h LEU 440 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i01 h LEU 440 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i01 h LEU 440 CO -0.10 0.22 -0.05 0.00 0.09 0.00 0.00 178.44 178.60 3i01 h ALA 441 N 1.78 1.07 0.00 1.53 0.00 -0.62 -1.95 119.26 121.08 3i01 h ALA 441 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i01 h ALA 441 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i01 h ALA 441 CO 0.03 0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.13 3i01 h THR 442 N 0.00 0.00 0.00 0.00 1.35 -1.51 -2.35 112.91 110.40 3i01 h THR 442 Ca -0.00 -0.14 -0.20 0.00 -0.55 0.00 0.00 66.41 65.52 3i01 h THR 442 Cb 0.35 0.80 -0.04 0.00 -1.73 0.00 0.00 68.15 67.53 3i01 h THR 442 CO 0.01 0.00 -2.15 0.00 -0.25 0.00 0.00 175.52 173.13 3i01 n GLN 443 N -2.37 0.79 -3.25 4.72 1.13 -0.75 -4.89 117.38 112.75 3i01 n GLN 443 Ca 0.00 -0.08 -0.04 0.00 -1.94 0.00 0.00 57.00 54.94 3i01 n GLN 443 Cb 0.14 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 3i01 n GLN 443 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3i01 s ASN 444 N -4.93 -0.68 0.22 1.08 3.84 -1.09 -5.03 114.94 108.36 3i01 s ASN 444 Ca -0.09 -0.80 -0.08 0.00 0.21 0.00 0.00 52.86 52.11 3i01 s ASN 444 Cb 0.09 1.54 0.17 0.00 -0.55 0.00 0.00 41.25 42.50 3i01 s ASN 444 CO 0.81 -0.23 1.80 0.00 -2.79 0.00 0.00 177.10 176.69 3i01 h ALA 445 N 7.29 1.07 0.00 1.71 0.00 -1.70 -2.21 119.26 125.42 3i01 h ALA 445 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i01 h ALA 445 Cb 1.14 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i01 h ALA 445 CO 0.15 0.66 -0.01 1.96 0.00 0.00 0.00 179.25 182.00 3i01 h GLN 446 N 1.18 0.00 -0.08 0.00 7.50 -1.96 -3.41 115.11 118.35 3i01 h GLN 446 Ca 0.28 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.20 3i01 h GLN 446 Cb 0.16 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 27.54 3i01 h GLN 446 CO -0.03 0.01 -0.51 -1.71 -1.50 0.00 0.00 178.83 175.09 3i01 n ASN 447 N -3.10 -2.79 -0.24 1.46 2.85 -1.16 -5.04 115.26 107.25 3i01 n ASN 447 Ca 0.04 -3.29 0.12 0.00 -0.11 0.00 0.00 54.58 51.33 3i01 n ASN 447 Cb 0.52 1.74 0.40 0.00 1.24 0.00 0.00 39.78 43.68 3i01 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i01 h PRO 448 N 3.99 0.64 0.00 1.20 0.11 -1.63 -1.99 132.00 134.31 3i01 h PRO 448 Ca -0.14 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.83 3i01 h PRO 448 Cb 1.02 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3i01 h PRO 448 CO 0.33 0.42 -0.46 0.97 -0.21 0.00 0.00 178.00 179.05 3i01 h ILE 449 N 0.65 1.02 -0.52 4.15 6.09 -1.89 -2.78 117.51 124.22 3i01 h ILE 449 Ca 0.41 -1.80 0.15 0.00 -1.37 0.00 0.00 64.86 62.25 3i01 h ILE 449 Cb 0.66 2.07 -0.02 0.00 0.47 0.00 0.00 36.82 40.00 3i01 h ILE 449 CO -0.17 0.45 0.56 -0.09 -3.07 0.00 0.00 178.15 175.84 3i01 h ARG 450 N 0.00 0.00 -0.16 2.19 9.65 -1.74 -2.14 114.38 122.18 3i01 h ARG 450 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 3i01 h ARG 450 Cb 1.03 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3i01 h ARG 450 CO 0.06 0.00 -0.16 0.28 2.80 0.00 0.00 179.97 182.95 3i01 h VAL 451 N 0.00 1.34 -0.19 0.20 2.07 -1.64 0.91 116.25 118.94 3i01 h VAL 451 Ca 0.25 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3i01 h VAL 451 Cb 1.37 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3i01 h VAL 451 CO -0.00 0.39 -0.15 0.25 0.02 0.00 0.00 177.57 178.08 3i01 h LEU 452 N 0.04 0.46 -0.00 2.57 5.85 -1.67 -2.86 115.31 119.70 3i01 h LEU 452 Ca 0.03 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3i01 h LEU 452 Cb 0.69 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3i01 h LEU 452 CO 0.04 0.81 -0.15 0.78 -0.34 0.00 0.00 178.44 179.58 3i01 h ASN 453 N 0.11 -0.45 -0.80 1.25 2.35 -1.28 -2.65 115.58 114.12 3i01 h ASN 453 Ca 0.04 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3i01 h ASN 453 Cb 0.67 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 3i01 h ASN 453 CO 0.04 -0.21 0.53 -0.61 -1.65 0.00 0.00 177.43 175.52 3i01 h GLN 454 N -0.26 1.00 0.00 0.81 5.75 0.75 0.34 115.11 123.50 3i01 h GLN 454 Ca 0.05 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3i01 h GLN 454 Cb 0.32 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3i01 h GLN 454 CO -0.15 0.66 -0.16 0.00 -2.65 0.00 0.00 178.83 176.53 3i01 h ALA 455 N 1.52 1.11 0.13 3.38 0.00 -1.28 -0.52 119.26 123.60 3i01 h ALA 455 Ca 0.30 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 455 Cb -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i01 h ALA 455 CO -0.08 0.20 -1.28 0.82 0.00 0.00 0.00 179.25 178.91 3i01 h ILE 456 N 0.00 1.17 0.00 0.00 2.04 -1.06 0.29 117.51 119.95 3i01 h ILE 456 Ca -0.00 -2.46 -0.05 0.00 1.00 0.00 0.00 64.86 63.35 3i01 h ILE 456 Cb 0.55 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3i01 h ILE 456 CO 0.02 0.72 -0.25 -0.07 0.00 0.00 0.00 178.15 178.57 3i01 h LEU 457 N -0.28 0.00 0.00 1.44 3.38 -0.69 -2.35 115.31 116.82 3i01 h LEU 457 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i01 h LEU 457 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3i01 h LEU 457 CO 0.10 0.25 -0.05 0.47 0.09 0.00 0.00 178.44 179.31 3i01 n ASP 458 N -4.13 0.21 0.00 -0.43 8.00 -0.22 -4.93 116.55 115.05 3i01 n ASP 458 Ca -0.02 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3i01 n ASP 458 Cb 0.31 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3i01 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i01 n GLY 459 N 1.46 0.74 0.21 0.44 0.00 -0.88 -4.94 105.19 102.21 3i01 n GLY 459 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3i01 n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i01 h GLU 460 N 4.12 0.73 -6.37 1.61 4.81 -1.32 -3.43 114.58 114.73 3i01 h GLU 460 Ca 0.00 -0.67 -0.68 0.00 -0.13 0.00 0.00 59.36 57.88 3i01 h GLU 460 Cb 0.00 0.16 -0.20 0.00 0.63 0.00 0.00 28.75 29.35 3i01 h GLU 460 CO 0.00 1.27 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.30 3i01 s LEU 461 N -8.31 2.95 0.39 1.64 1.43 0.86 -4.14 118.68 113.50 3i01 s LEU 461 Ca -0.10 -0.22 0.19 0.00 -1.03 0.00 0.00 54.13 52.96 3i01 s LEU 461 Cb 0.07 -1.69 0.78 0.00 0.03 0.00 0.00 46.19 45.39 3i01 s LEU 461 CO 0.90 0.29 1.79 0.00 0.23 0.00 0.00 176.35 179.56 3i01 h ALA 462 N 4.70 1.08 0.00 4.21 0.00 -1.53 -3.38 119.26 124.34 3i01 h ALA 462 Ca -0.48 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3i01 h ALA 462 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i01 h ALA 462 CO 0.51 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.60 3i01 n GLY 463 N 0.03 -0.58 3.60 0.00 0.00 -1.26 -4.72 105.19 102.26 3i01 n GLY 463 Ca -0.01 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 3i01 n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 464 N -2.95 4.37 -0.12 1.61 1.01 -0.61 -1.90 120.40 121.81 3i01 s VAL 464 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i01 s VAL 464 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3i01 s VAL 464 CO 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 175.10 175.39 3i01 s ALA 465 N 0.03 2.26 -0.18 5.51 0.00 -0.46 -1.76 121.76 127.16 3i01 s ALA 465 Ca 0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 3i01 s ALA 465 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3i01 s ALA 465 CO 0.02 0.19 0.39 -1.17 0.00 0.00 0.00 175.76 175.19 3i01 s LEU 466 N 0.48 4.18 -0.16 0.00 1.98 -0.53 -0.10 118.68 124.54 3i01 s LEU 466 Ca -0.14 0.56 -0.04 0.00 -2.89 0.00 0.00 54.13 51.62 3i01 s LEU 466 Cb -0.17 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 3i01 s LEU 466 CO 0.06 -0.04 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.80 3i01 s ILE 467 N 1.10 3.85 0.29 6.68 -1.09 0.54 -0.80 121.20 131.76 3i01 s ILE 467 Ca 0.20 -0.37 -0.00 0.00 -2.23 0.00 0.00 60.65 58.24 3i01 s ILE 467 Cb -0.14 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3i01 s ILE 467 CO 0.08 0.49 0.39 0.00 -1.23 0.00 0.00 174.94 174.67 3i01 n GLY 469 N -0.49 -1.80 0.00 0.00 0.00 -1.26 -4.19 105.19 97.45 3i01 n GLY 469 Ca 0.01 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3i01 n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ASN 471 N -0.92 4.72 -0.22 0.00 0.01 -1.19 -4.45 114.94 112.89 3i01 s ASN 471 Ca 0.00 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.69 3i01 s ASN 471 Cb 0.00 -0.99 0.11 0.00 0.41 0.00 0.00 41.25 40.79 3i01 s ASN 471 CO 0.00 0.08 0.33 0.21 -1.51 0.00 0.00 177.10 176.21 3i01 s ASN 472 N -3.01 0.49 0.00 -1.22 3.84 -1.03 -4.39 114.94 109.63 3i01 s ASN 472 Ca 0.28 0.22 0.11 0.00 0.21 0.00 0.00 52.86 53.67 3i01 s ASN 472 Cb -0.09 0.91 0.64 0.00 -0.55 0.00 0.00 41.25 42.16 3i01 s ASN 472 CO 0.18 -0.29 1.09 0.18 -2.79 0.00 0.00 177.10 175.47 3i01 n LEU 473 N 5.35 0.00 -0.29 3.21 4.77 -1.26 -2.25 117.00 126.54 3i01 n LEU 473 Ca -0.05 0.01 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 3i01 n LEU 473 Cb 0.50 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.82 3i01 n LEU 473 CO 0.06 -0.01 1.25 0.11 -1.33 0.00 0.00 177.39 177.46 3i01 h LYS 474 N 0.00 0.98 -6.16 3.23 1.57 -1.96 -3.41 116.57 110.82 3i01 h LYS 474 Ca 0.00 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.19 3i01 h LYS 474 Cb 0.01 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.02 3i01 h LYS 474 CO 0.00 0.65 -0.56 0.20 -0.57 0.00 0.00 179.45 179.17 3i01 s GLY 475 N -3.41 1.73 0.03 3.86 0.00 -0.95 -1.81 107.32 106.76 3i01 s GLY 475 Ca -0.11 -1.67 -0.35 0.00 0.00 0.00 0.00 44.72 42.58 3i01 s GLY 475 CO 0.80 -1.67 1.62 0.69 0.00 0.00 0.00 173.10 174.53 3i01 n PHE 476 N -1.10 2.08 -1.64 1.90 3.01 -1.26 -4.66 117.46 115.80 3i01 n PHE 476 Ca -0.05 0.32 -0.58 0.00 1.01 0.00 0.00 57.45 58.15 3i01 n PHE 476 Cb 0.60 -2.51 -0.08 0.00 -0.01 0.00 0.00 39.48 37.48 3i01 n PHE 476 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3i01 n GLN 477 N 4.21 0.68 0.00 -1.08 7.27 0.27 -1.66 117.38 127.07 3i01 n GLN 477 Ca 0.20 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.51 3i01 n GLN 477 Cb 0.25 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 31.06 3i01 n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i01 n ASP 478 N 3.38 0.00 -0.17 1.69 8.00 -1.26 -2.07 116.55 126.13 3i01 n ASP 478 Ca 0.23 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 3i01 n ASP 478 Cb 0.10 -0.16 0.08 0.00 -0.02 0.00 0.00 41.12 41.12 3i01 n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i01 h ASN 479 N 0.00 0.11 0.60 -2.24 -1.24 -1.69 -1.31 115.58 109.81 3i01 h ASN 479 Ca 0.00 0.08 -0.23 0.00 0.71 0.00 0.00 56.30 56.86 3i01 h ASN 479 Cb 0.00 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 3i01 h ASN 479 CO 0.00 0.08 -1.01 0.28 -1.29 0.00 0.00 177.43 175.49 3i01 h SER 480 N 0.31 0.32 0.12 1.15 0.02 -1.89 0.23 113.55 113.82 3i01 h SER 480 Ca 0.26 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3i01 h SER 480 Cb 0.33 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3i01 h SER 480 CO -0.30 1.15 -0.20 0.45 -1.14 0.00 0.00 176.83 176.80 3i01 h HIS 481 N 0.11 -0.52 -0.10 3.45 3.86 -1.86 -1.97 115.15 118.12 3i01 h HIS 481 Ca -0.07 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 3i01 h HIS 481 Cb 1.69 0.21 0.00 0.00 1.06 0.00 0.00 27.41 30.37 3i01 h HIS 481 CO 0.04 -0.29 -0.26 -0.07 0.86 0.00 0.00 177.93 178.21 3i01 h LEU 482 N -0.38 0.40 -0.47 2.43 -0.00 -1.15 -0.47 115.31 115.66 3i01 h LEU 482 Ca 0.02 -0.60 0.08 0.00 -0.00 0.00 0.00 57.88 57.39 3i01 h LEU 482 Cb 0.40 -0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 40.87 3i01 h LEU 482 CO -0.10 0.92 0.08 0.74 -0.00 0.00 0.00 178.44 180.08 3i01 h THR 483 N -0.11 0.73 -0.13 0.22 2.02 -1.02 0.21 112.91 114.83 3i01 h THR 483 Ca -0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3i01 h THR 483 Cb 0.88 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i01 h THR 483 CO 0.06 0.04 -0.01 0.58 0.37 0.00 0.00 175.52 176.55 3i01 h VAL 484 N 0.21 1.27 -0.40 3.16 2.07 -1.34 -2.82 116.25 118.40 3i01 h VAL 484 Ca 0.23 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3i01 h VAL 484 Cb 0.31 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3i01 h VAL 484 CO -0.32 0.26 0.24 0.24 0.02 0.00 0.00 177.57 178.01 3i01 h MET 485 N -0.05 0.54 -0.31 1.57 2.07 -0.59 -1.60 114.93 116.56 3i01 h MET 485 Ca 0.03 -0.05 0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3i01 h MET 485 Cb 0.40 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 3i01 h MET 485 CO 0.01 0.40 0.09 0.87 1.07 0.00 0.00 176.91 179.36 3i01 h LYS 486 N 0.53 0.22 -0.83 1.72 1.57 -1.00 -0.05 116.57 118.72 3i01 h LYS 486 Ca 0.14 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3i01 h LYS 486 Cb -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3i01 h LYS 486 CO -0.03 0.14 0.38 1.49 -0.57 0.00 0.00 179.45 180.87 3i01 h GLU 487 N 0.22 1.21 -0.22 3.15 4.57 -1.25 -0.86 114.58 121.40 3i01 h GLU 487 Ca 0.14 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 57.96 3i01 h GLU 487 Cb 0.13 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3i01 h GLU 487 CO -0.16 0.94 -0.54 -0.07 -1.18 0.00 0.00 179.01 178.00 3i01 h LEU 488 N 1.19 0.86 -0.07 1.64 3.38 -0.99 -2.76 115.31 118.57 3i01 h LEU 488 Ca 0.28 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i01 h LEU 488 Cb 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3i01 h LEU 488 CO -0.03 1.27 0.05 -0.07 0.09 0.00 0.00 178.44 179.74 3i01 h LEU 489 N 0.49 0.08 -1.50 1.67 3.38 -0.76 -1.41 115.31 117.27 3i01 h LEU 489 Ca -0.00 -0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.32 3i01 h LEU 489 Cb 1.15 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 3i01 h LEU 489 CO 0.12 0.08 0.82 0.50 0.09 0.00 0.00 178.44 180.04 3i01 h LYS 490 N 0.08 0.18 -0.54 1.13 3.64 -0.92 -1.40 116.57 118.74 3i01 h LYS 490 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i01 h LYS 490 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3i01 h LYS 490 CO -0.01 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.38 3i01 n ASN 491 N -4.56 5.37 -1.30 4.20 3.02 -0.62 -3.49 115.26 117.87 3i01 n ASN 491 Ca 0.32 -2.89 -0.12 0.00 -0.03 0.00 0.00 54.58 51.85 3i01 n ASN 491 Cb 1.24 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 3i01 n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i01 n ASN 492 N 0.50 -4.01 -4.71 6.41 3.02 -0.60 -4.35 115.26 111.52 3i01 n ASN 492 Ca 0.27 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3i01 n ASN 492 Cb 1.12 -3.08 -0.03 0.00 -0.61 0.00 0.00 39.78 37.18 3i01 n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i01 s VAL 493 N -2.58 4.86 -0.32 2.41 1.01 -0.67 -1.71 120.40 123.40 3i01 s VAL 493 Ca 0.00 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 3i01 s VAL 493 Cb 0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3i01 s VAL 493 CO 0.00 0.13 1.51 0.12 0.00 0.00 0.00 175.10 176.86 3i01 s PHE 494 N 1.20 2.28 -0.29 5.22 5.36 -0.80 -4.48 117.98 126.47 3i01 s PHE 494 Ca 0.50 0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 57.06 3i01 s PHE 494 Cb -0.20 -4.11 -0.01 0.00 -0.34 0.00 0.00 43.02 38.36 3i01 s PHE 494 CO 0.25 -2.34 0.13 0.08 -1.46 0.00 0.00 175.22 171.89 3i01 s VAL 495 N 5.39 4.52 0.07 3.12 1.01 -1.26 -1.35 120.40 131.91 3i01 s VAL 495 Ca 0.66 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3i01 s VAL 495 Cb -0.19 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3i01 s VAL 495 CO 0.30 0.14 0.14 0.68 0.00 0.00 0.00 175.10 176.35 3i01 s VAL 496 N 1.61 4.90 0.04 2.92 -7.23 0.86 -1.51 120.40 121.99 3i01 s VAL 496 Ca 0.05 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3i01 s VAL 496 Cb -0.17 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 3i01 s VAL 496 CO 0.06 0.13 -0.04 0.00 -0.31 0.00 0.00 175.10 174.93 3i01 s ALA 497 N -1.45 0.37 0.20 1.32 0.00 -0.71 -0.34 121.76 121.15 3i01 s ALA 497 Ca 0.32 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3i01 s ALA 497 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3i01 s ALA 497 CO 0.25 -0.19 0.10 0.95 0.00 0.00 0.00 175.76 176.87 3i01 s THR 498 N -2.17 0.19 0.00 0.00 -4.23 -0.74 -1.23 115.64 107.47 3i01 s THR 498 Ca -0.07 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3i01 s THR 498 Cb -0.05 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3i01 s THR 498 CO -0.03 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3i01 n GLY 499 N -0.29 0.44 0.30 3.99 0.00 -0.82 -1.44 105.19 107.36 3i01 n GLY 499 Ca -0.00 -0.83 0.19 0.00 0.00 0.00 0.00 46.02 45.38 3i01 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 h SER 501 N 0.00 -0.28 -0.74 0.00 0.87 -1.15 -0.56 113.55 111.70 3i01 h SER 501 Ca -0.00 -0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3i01 h SER 501 Cb 0.37 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3i01 h SER 501 CO 0.00 -0.07 0.49 0.00 -0.53 0.00 0.00 176.83 176.71 3i01 h ALA 502 N 0.25 1.54 0.00 6.23 0.00 -0.86 0.41 119.26 126.84 3i01 h ALA 502 Ca -0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 502 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i01 h ALA 502 CO 0.05 0.40 -0.29 1.96 0.00 0.00 0.00 179.25 181.37 3i01 h GLN 503 N 0.93 0.00 -0.26 0.00 4.20 -1.38 0.65 115.11 119.25 3i01 h GLN 503 Ca 0.29 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.82 3i01 h GLN 503 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3i01 h GLN 503 CO -0.08 0.29 -0.51 0.00 -0.67 0.00 0.00 178.83 177.86 3i01 h ALA 504 N 1.71 0.42 -0.00 3.87 0.00 0.74 -2.17 119.26 123.82 3i01 h ALA 504 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i01 h ALA 504 Cb 0.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i01 h ALA 504 CO 0.04 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3i01 h ALA 505 N 0.65 0.00 -0.24 0.00 0.00 -1.14 -2.08 119.26 116.45 3i01 h ALA 505 Ca 0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i01 h ALA 505 Cb 1.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3i01 h ALA 505 CO 0.11 -0.40 -0.08 0.78 0.00 0.00 0.00 179.25 179.66 3i01 h GLY 506 N -0.18 0.15 1.43 0.00 0.00 -0.86 0.17 103.07 103.77 3i01 h GLY 506 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3i01 h GLY 506 CO -0.00 -0.11 0.06 0.50 0.00 0.00 0.00 176.54 176.99 3i01 h LYS 507 N -0.03 0.71 -0.14 4.80 1.57 -1.42 -3.25 116.57 118.81 3i01 h LYS 507 Ca 0.12 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i01 h LYS 507 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3i01 h LYS 507 CO -0.27 0.68 0.00 1.28 -0.57 0.00 0.00 179.45 180.57 3i01 n LEU 508 N -4.27 2.83 0.00 2.94 4.77 -0.78 -4.48 117.00 118.01 3i01 n LEU 508 Ca 0.03 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 3i01 n LEU 508 Cb 0.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i01 n LEU 508 CO 0.40 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3i01 n GLY 509 N 1.13 1.15 0.48 -0.72 0.00 -0.63 -4.99 105.19 101.60 3i01 n GLY 509 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3i01 n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i01 n LEU 510 N 0.00 1.46 -1.09 0.99 4.32 0.49 -3.03 117.00 120.14 3i01 n LEU 510 Ca 0.00 -0.56 0.08 0.00 -0.02 0.00 0.00 56.01 55.51 3i01 n LEU 510 Cb 0.00 -0.05 0.27 0.00 -1.62 0.00 0.00 43.42 42.01 3i01 n LEU 510 CO 0.00 0.28 0.73 0.18 -1.22 0.00 0.00 177.39 177.36 3i01 n LEU 511 N 0.16 3.98 -4.49 2.23 4.77 -1.19 -2.27 117.00 120.19 3i01 n LEU 511 Ca 0.18 -2.54 -0.37 0.00 -0.03 0.00 0.00 56.01 53.24 3i01 n LEU 511 Cb 0.32 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 3i01 n LEU 511 CO 0.14 0.73 -0.24 -0.62 -1.33 0.00 0.00 177.39 176.08 3i01 s ASP 512 N -1.29 5.47 0.63 -1.43 -1.08 -1.17 0.32 116.67 118.12 3i01 s ASP 512 Ca 0.40 -0.17 0.30 0.00 -0.52 0.00 0.00 52.55 52.56 3i01 s ASP 512 Cb 0.28 -2.00 1.65 0.00 -1.46 0.00 0.00 42.92 41.39 3i01 s ASP 512 CO 0.16 -0.06 1.97 -0.65 0.52 0.00 0.00 175.17 177.12 3i01 h PRO 513 N 8.29 0.00 -1.04 4.34 0.11 -1.85 0.18 132.00 142.03 3i01 h PRO 513 Ca -0.37 0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.04 3i01 h PRO 513 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3i01 h PRO 513 CO 0.57 0.00 0.77 0.00 -0.21 0.00 0.00 178.00 179.13 3i01 h ALA 514 N 1.48 2.97 -0.51 -0.75 0.00 -1.86 -2.71 119.26 117.88 3i01 h ALA 514 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i01 h ALA 514 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i01 h ALA 514 CO -0.00 -1.30 0.00 0.09 0.00 0.00 0.00 179.25 178.04 3i01 n ASN 515 N -4.16 3.43 0.29 0.00 5.03 0.62 -4.24 115.26 116.23 3i01 n ASN 515 Ca 0.22 -2.04 0.16 0.00 0.87 0.00 0.00 54.58 53.79 3i01 n ASN 515 Cb 1.12 -0.36 0.86 0.00 -1.02 0.00 0.00 39.78 40.38 3i01 n ASN 515 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3i01 h VAL 516 N 3.01 0.36 0.08 2.41 2.07 -1.61 -2.70 116.25 119.87 3i01 h VAL 516 Ca 0.00 -0.35 -0.29 0.00 0.82 0.00 0.00 66.70 66.88 3i01 h VAL 516 Cb 0.88 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3i01 h VAL 516 CO 0.01 0.06 -1.50 -0.33 0.02 0.00 0.00 177.57 175.84 3i01 h GLU 517 N 0.00 0.17 0.00 1.57 4.39 -1.83 -2.95 114.58 115.92 3i01 h GLU 517 Ca -0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3i01 h GLU 517 Cb 0.24 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3i01 h GLU 517 CO 0.01 0.99 0.00 0.00 -1.16 0.00 0.00 179.01 178.85 3i01 h THR 518 N 0.05 0.00 0.00 1.13 1.03 -1.74 -3.40 112.91 109.97 3i01 h THR 518 Ca -0.22 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 3i01 h THR 518 Cb 1.98 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 3i01 h THR 518 CO 0.14 0.00 -0.82 -1.22 -0.01 0.00 0.00 175.52 173.61 3i01 n TYR 519 N -2.54 0.00 -2.59 0.00 4.02 -1.12 -5.06 117.16 109.86 3i01 n TYR 519 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3i01 n TYR 519 Cb 0.36 0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.67 3i01 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i01 s GLY 521 N 1.12 1.51 0.34 0.00 0.00 -0.76 -4.52 107.32 105.02 3i01 s GLY 521 Ca 0.54 -0.28 0.14 0.00 0.00 0.00 0.00 44.72 45.11 3i01 s GLY 521 CO 0.25 0.51 1.72 -0.55 0.00 0.00 0.00 173.10 175.02 3i01 h ASP 522 N -2.84 0.00 -0.10 1.64 3.32 -1.91 0.21 116.42 116.73 3i01 h ASP 522 Ca -0.60 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3i01 h ASP 522 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3i01 h ASP 522 CO 0.47 0.47 0.03 1.23 -1.72 0.00 0.00 179.24 179.72 3i01 h GLY 523 N 1.73 0.17 0.80 2.75 0.00 -1.91 -1.03 103.07 105.58 3i01 h GLY 523 Ca -0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 3i01 h GLY 523 CO 0.06 0.09 -0.80 -2.00 0.00 0.00 0.00 176.54 173.90 3i01 h LEU 524 N -0.02 0.55 -0.72 3.11 5.85 -1.55 0.61 115.31 123.14 3i01 h LEU 524 Ca 0.03 -0.86 0.03 0.00 0.84 0.00 0.00 57.88 57.92 3i01 h LEU 524 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3i01 h LEU 524 CO -0.00 1.36 0.46 0.50 -0.34 0.00 0.00 178.44 180.42 3i01 h LYS 525 N -0.18 0.88 0.28 1.25 3.64 -0.68 0.52 116.57 122.29 3i01 h LYS 525 Ca -0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3i01 h LYS 525 Cb 1.56 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3i01 h LYS 525 CO 0.15 0.58 -0.14 0.78 -2.27 0.00 0.00 179.45 178.56 3i01 h GLY 526 N 0.91 -0.39 -0.19 5.01 0.00 -1.13 0.13 103.07 107.40 3i01 h GLY 526 Ca 0.28 0.15 0.12 0.00 0.00 0.00 0.00 47.33 47.88 3i01 h GLY 526 CO -0.10 -0.14 -0.16 -2.75 0.00 0.00 0.00 176.54 173.39 3i01 h PHE 527 N -0.47 -0.34 -0.66 5.60 3.57 0.02 -1.57 116.94 123.08 3i01 h PHE 527 Ca -0.04 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3i01 h PHE 527 Cb 0.36 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 3i01 h PHE 527 CO -0.03 -0.26 0.08 -0.07 -2.23 0.00 0.00 178.31 175.80 3i01 h LEU 528 N -0.01 1.07 -0.41 0.59 3.38 0.21 -2.28 115.31 117.85 3i01 h LEU 528 Ca 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 528 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i01 h LEU 528 CO -0.61 1.07 0.12 0.11 0.09 0.00 0.00 178.44 179.22 3i01 h LYS 529 N 1.03 0.65 0.22 1.13 1.57 -0.58 0.32 116.57 120.90 3i01 h LYS 529 Ca 0.20 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3i01 h LYS 529 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i01 h LYS 529 CO 0.02 0.66 -0.25 -0.09 -0.57 0.00 0.00 179.45 179.21 3i01 h ARG 530 N 0.53 -0.50 -0.12 3.15 2.43 -1.23 -0.77 114.38 117.86 3i01 h ARG 530 Ca 0.13 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3i01 h ARG 530 Cb 0.28 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3i01 h ARG 530 CO -0.00 -0.33 -0.10 -0.07 -1.51 0.00 0.00 179.97 177.96 3i01 h LEU 531 N -0.52 -0.32 -1.05 3.80 3.38 -1.37 -2.19 115.31 117.05 3i01 h LEU 531 Ca 0.00 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3i01 h LEU 531 Cb 0.49 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3i01 h LEU 531 CO -0.08 -0.14 0.63 1.23 0.09 0.00 0.00 178.44 180.18 3i01 h GLY 532 N -0.11 1.46 1.28 0.83 0.00 -0.01 -2.52 103.07 104.00 3i01 h GLY 532 Ca 0.08 -0.46 -0.30 0.00 0.00 0.00 0.00 47.33 46.65 3i01 h GLY 532 CO -0.19 0.34 -1.50 0.83 0.00 0.00 0.00 176.54 176.02 3i01 h GLU 533 N 1.15 0.24 0.00 4.80 5.08 -1.15 0.24 114.58 124.94 3i01 h GLU 533 Ca 0.42 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i01 h GLU 533 Cb 0.16 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3i01 h GLU 533 CO -0.16 1.11 0.00 0.78 -1.00 0.00 0.00 179.01 179.74 3i01 h GLY 534 N 1.74 0.00 -2.07 -3.84 0.00 -1.23 -1.69 103.07 95.98 3i01 h GLY 534 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3i01 h GLY 534 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.70 3i01 n ALA 535 N -2.08 2.41 -3.74 3.60 0.00 -0.96 -4.97 120.51 114.77 3i01 n ALA 535 Ca 0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 53.44 52.29 3i01 n ALA 535 Cb 0.31 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 19.00 3i01 n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i01 n ASN 536 N 1.34 -1.07 -4.49 0.00 3.02 -0.64 -4.92 115.26 108.50 3i01 n ASN 536 Ca 0.17 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 3i01 n ASN 536 Cb 0.57 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 3i01 n ASN 536 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i01 s ILE 537 N -3.71 4.26 0.21 2.41 1.09 0.06 -4.92 121.20 120.60 3i01 s ILE 537 Ca 0.01 -0.72 -0.18 0.00 -1.10 0.00 0.00 60.65 58.66 3i01 s ILE 537 Cb -0.01 -4.84 0.20 0.00 -1.06 0.00 0.00 42.46 36.75 3i01 s ILE 537 CO 0.82 -1.66 1.58 1.05 -0.10 0.00 0.00 174.94 176.64 3i01 h GLU 538 N 9.47 -0.09 -0.00 2.79 4.11 -1.91 -0.46 114.58 128.49 3i01 h GLU 538 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3i01 h GLU 538 Cb 1.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i01 h GLU 538 CO 1.24 -0.06 -0.13 0.44 0.07 0.00 0.00 179.01 180.56 3i01 n ILE 539 N -5.46 0.00 -0.88 -1.06 -5.35 -1.26 -5.06 119.36 100.29 3i01 n ILE 539 Ca 0.07 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3i01 n ILE 539 Cb 0.38 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 3i01 n ILE 539 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i01 n GLY 540 N 1.45 -2.64 3.88 3.28 0.00 -0.18 -4.69 105.19 106.28 3i01 n GLY 540 Ca 0.08 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 3i01 n GLY 540 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i01 s LEU 541 N 0.00 4.09 0.70 0.99 1.43 -1.26 -4.80 118.68 119.83 3i01 s LEU 541 Ca 0.00 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3i01 s LEU 541 Cb 0.00 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.55 3i01 s LEU 541 CO 0.00 0.06 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 3i01 s PRO 542 N -3.18 2.91 0.21 1.29 0.04 -1.26 -4.11 135.00 130.90 3i01 s PRO 542 Ca 0.33 0.56 -0.08 0.00 0.04 0.00 0.00 61.00 61.85 3i01 s PRO 542 Cb -0.11 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.56 3i01 s PRO 542 CO 0.26 -1.02 1.77 -1.35 0.04 0.00 0.00 177.00 176.70 3i01 h PRO 543 N -0.64 1.14 -5.71 0.56 0.11 -1.77 -3.43 132.00 122.26 3i01 h PRO 543 Ca -0.45 -0.21 -0.67 0.00 0.11 0.00 0.00 66.00 64.78 3i01 h PRO 543 Cb 1.24 -0.18 -0.27 0.00 0.11 0.00 0.00 31.00 31.90 3i01 h PRO 543 CO 0.63 0.93 -0.79 0.08 -0.21 0.00 0.00 178.00 178.64 3i01 s VAL 544 N -5.54 2.82 -0.43 3.15 1.01 -0.96 -4.56 120.40 115.89 3i01 s VAL 544 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 3i01 s VAL 544 Cb 0.15 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3i01 s VAL 544 CO 0.83 0.55 0.40 -0.36 0.00 0.00 0.00 175.10 176.52 3i01 s PHE 545 N -0.03 3.20 -0.63 5.22 0.40 -0.57 -4.70 117.98 120.87 3i01 s PHE 545 Ca -0.04 -0.53 -0.27 0.00 -0.60 0.00 0.00 56.93 55.49 3i01 s PHE 545 Cb -0.14 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 3i01 s PHE 545 CO 0.04 -0.70 1.75 -1.58 0.70 0.00 0.00 175.22 175.44 3i01 s HIS 546 N 1.94 1.78 -2.07 0.36 2.46 -1.26 -1.74 115.29 116.76 3i01 s HIS 546 Ca 0.09 0.63 0.27 0.00 0.47 0.00 0.00 55.06 56.52 3i01 s HIS 546 Cb -0.19 -4.19 0.85 0.00 -0.13 0.00 0.00 32.58 28.92 3i01 s HIS 546 CO 0.11 -2.27 1.63 -1.33 -2.47 0.00 0.00 174.74 170.41 3i01 n MET 547 N 9.20 1.19 0.00 2.88 2.81 -0.36 -1.93 117.12 130.90 3i01 n MET 547 Ca 0.17 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 3i01 n MET 547 Cb 0.51 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3i01 n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i01 n GLY 548 N 1.28 0.37 3.91 3.03 0.00 -1.25 -4.69 105.19 107.84 3i01 n GLY 548 Ca 0.15 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 3i01 n GLY 548 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i01 s SER 549 N -4.00 4.57 0.27 1.61 1.04 -1.26 -1.94 113.70 114.00 3i01 s SER 549 Ca 0.00 0.61 -0.00 0.00 0.48 0.00 0.00 55.95 57.04 3i01 s SER 549 Cb 0.00 -1.15 0.62 0.00 0.10 0.00 0.00 66.02 65.59 3i01 s SER 549 CO 0.00 -1.81 1.66 0.00 0.98 0.00 0.00 173.24 174.07 3i01 h VAL 551 N 0.25 0.40 0.00 0.00 -1.51 -1.93 -1.46 116.25 111.99 3i01 h VAL 551 Ca 0.51 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 3i01 h VAL 551 Cb 0.96 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3i01 h VAL 551 CO -0.59 0.08 0.00 0.47 -1.23 0.00 0.00 177.57 176.29 3i01 n ASP 552 N -3.49 0.00 -0.13 4.19 9.92 0.22 -2.23 116.55 125.04 3i01 n ASP 552 Ca -0.02 -1.07 0.27 0.00 -0.53 0.00 0.00 54.79 53.44 3i01 n ASP 552 Cb 0.21 0.00 0.72 0.00 -0.64 0.00 0.00 41.12 41.41 3i01 n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3i01 h ASN 553 N 0.00 0.00 0.25 -2.24 2.35 -1.15 -2.00 115.58 112.79 3i01 h ASN 553 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3i01 h ASN 553 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3i01 h ASN 553 CO 0.00 0.00 -0.18 0.77 -1.65 0.00 0.00 177.43 176.37 3i01 h SER 554 N 0.00 0.00 -0.78 5.81 4.64 -1.69 -1.59 113.55 119.94 3i01 h SER 554 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3i01 h SER 554 Cb 1.73 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.78 3i01 h SER 554 CO -0.00 0.18 0.31 0.03 -0.87 0.00 0.00 176.83 176.48 3i01 h ARG 555 N 0.00 1.17 -0.23 4.77 3.08 -1.60 -1.76 114.38 119.81 3i01 h ARG 555 Ca -0.00 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 3i01 h ARG 555 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3i01 h ARG 555 CO 0.02 0.95 -0.35 0.00 -1.07 0.00 0.00 179.97 179.52 3i01 h ALA 556 N 1.20 0.95 -0.55 0.04 0.00 -1.43 0.06 119.26 119.54 3i01 h ALA 556 Ca 0.26 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i01 h ALA 556 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i01 h ALA 556 CO -0.02 0.61 0.16 0.28 0.00 0.00 0.00 179.25 180.28 3i01 h VAL 557 N 0.43 1.24 -0.79 0.00 2.07 -1.30 0.09 116.25 117.98 3i01 h VAL 557 Ca 0.05 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3i01 h VAL 557 Cb 0.82 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3i01 h VAL 557 CO 0.07 0.30 0.37 0.44 0.02 0.00 0.00 177.57 178.77 3i01 h ASP 558 N 0.76 1.04 0.53 0.57 3.32 -0.68 0.22 116.42 122.18 3i01 h ASP 558 Ca 0.17 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3i01 h ASP 558 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3i01 h ASP 558 CO -0.00 0.89 -0.33 0.25 -1.72 0.00 0.00 179.24 178.32 3i01 h LEU 559 N 1.13 -0.84 -0.83 1.55 5.85 -0.88 -0.05 115.31 121.24 3i01 h LEU 559 Ca 0.27 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.23 3i01 h LEU 559 Cb 0.13 0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.29 3i01 h LEU 559 CO -0.03 -0.52 0.32 0.25 -0.34 0.00 0.00 178.44 178.12 3i01 h LEU 560 N -0.82 0.23 -0.65 2.25 5.85 -0.57 -1.90 115.31 119.70 3i01 h LEU 560 Ca -0.06 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3i01 h LEU 560 Cb 0.67 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3i01 h LEU 560 CO 0.06 0.01 -0.50 0.24 -0.34 0.00 0.00 178.44 177.91 3i01 h MET 561 N 0.38 0.46 -0.34 1.25 2.86 -0.39 -1.97 114.93 117.16 3i01 h MET 561 Ca 0.50 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3i01 h MET 561 Cb 0.89 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3i01 h MET 561 CO -0.51 0.85 -0.26 0.00 1.06 0.00 0.00 176.91 178.05 3i01 h ALA 562 N 1.11 0.89 0.25 6.32 0.00 -0.37 -2.01 119.26 125.44 3i01 h ALA 562 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3i01 h ALA 562 Cb 1.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i01 h ALA 562 CO 0.09 0.63 -0.12 0.52 0.00 0.00 0.00 179.25 180.36 3i01 h MET 563 N 0.61 -0.32 -0.40 0.00 2.07 -1.27 -2.03 114.93 113.59 3i01 h MET 563 Ca 0.08 0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.81 3i01 h MET 563 Cb 0.76 0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 30.49 3i01 h MET 563 CO 0.06 -0.09 -0.07 0.00 1.07 0.00 0.00 176.91 177.88 3i01 h ALA 564 N 0.19 0.29 -0.80 6.32 0.00 -1.37 0.29 119.26 124.18 3i01 h ALA 564 Ca -0.03 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i01 h ALA 564 Cb 0.38 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 564 CO 0.06 -0.44 0.47 -0.97 0.00 0.00 0.00 179.25 178.37 3i01 h ASN 565 N 0.03 0.71 -0.30 0.00 -1.24 -1.34 -1.43 115.58 112.01 3i01 h ASN 565 Ca 0.19 0.03 -0.16 0.00 0.71 0.00 0.00 56.30 57.07 3i01 h ASN 565 Cb 0.29 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 3i01 h ASN 565 CO -0.39 0.44 -0.44 -0.78 -1.29 0.00 0.00 177.43 174.97 3i01 h ASP 566 N 0.84 0.91 0.45 1.15 -0.00 -0.58 -2.83 116.42 116.35 3i01 h ASP 566 Ca 0.36 -0.51 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 3i01 h ASP 566 Cb 0.23 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 3i01 h ASP 566 CO -0.20 1.24 0.00 0.18 -0.00 0.00 0.00 179.24 180.47 3i01 n LEU 567 N -4.10 0.31 -2.12 2.28 4.77 0.94 -4.91 117.00 114.17 3i01 n LEU 567 Ca -0.04 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 3i01 n LEU 567 Cb 0.57 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3i01 n LEU 567 CO 0.48 -0.49 -0.03 0.61 -1.33 0.00 0.00 177.39 176.63 3i01 n GLY 568 N -0.38 -0.18 3.23 -0.72 0.00 -0.90 -5.06 105.19 101.17 3i01 n GLY 568 Ca 0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3i01 n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i01 s VAL 569 N -2.95 1.10 0.59 1.61 -7.23 -0.59 -5.03 120.40 107.91 3i01 s VAL 569 Ca 0.18 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.26 3i01 s VAL 569 Cb -0.08 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 3i01 s VAL 569 CO 0.22 -0.67 1.17 -0.62 -0.31 0.00 0.00 175.10 174.89 3i01 s ASP 570 N -2.89 5.30 0.48 4.85 3.68 -1.26 -4.41 116.67 122.42 3i01 s ASP 570 Ca 0.13 2.27 0.28 0.00 2.13 0.00 0.00 52.55 57.35 3i01 s ASP 570 Cb 0.00 -2.59 1.34 0.00 -1.45 0.00 0.00 42.92 40.23 3i01 s ASP 570 CO 0.00 -1.51 1.81 0.71 0.13 0.00 0.00 175.17 176.32 3i01 h THR 571 N 0.82 0.50 0.00 1.71 1.35 -1.91 -1.77 112.91 113.61 3i01 h THR 571 Ca -0.50 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3i01 h THR 571 Cb 1.28 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3i01 h THR 571 CO 0.55 0.03 0.00 -2.65 -0.25 0.00 0.00 175.52 173.20 3i01 n PRO 572 N -4.39 0.06 0.00 4.72 -0.02 -1.21 -1.86 135.00 132.30 3i01 n PRO 572 Ca 0.24 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3i01 n PRO 572 Cb 1.02 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 33.02 3i01 n PRO 572 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i01 n LYS 573 N -1.26 1.58 -2.78 -0.52 5.02 -0.66 -4.94 118.16 114.60 3i01 n LYS 573 Ca 0.02 -1.14 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 3i01 n LYS 573 Cb 0.03 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3i01 n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 574 N -1.98 4.83 -1.22 -0.18 1.01 -0.78 -4.88 120.40 117.21 3i01 s VAL 574 Ca 0.18 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.82 3i01 s VAL 574 Cb 0.15 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3i01 s VAL 574 CO 0.40 0.02 1.84 -2.84 0.00 0.00 0.00 175.10 174.53 3i01 s PRO 575 N 2.00 3.14 -0.07 2.72 0.02 -1.26 -4.78 135.00 136.77 3i01 s PRO 575 Ca 0.44 -1.50 -0.03 0.00 0.02 0.00 0.00 61.00 59.93 3i01 s PRO 575 Cb -0.18 -5.37 0.04 0.00 0.02 0.00 0.00 34.50 29.01 3i01 s PRO 575 CO 0.16 -3.23 0.15 0.12 -0.33 0.00 0.00 177.00 173.87 3i01 s PHE 576 N 8.08 -0.17 0.01 6.54 5.36 -1.26 -1.57 117.98 134.97 3i01 s PHE 576 Ca 0.62 0.49 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 3i01 s PHE 576 Cb 0.01 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.62 3i01 s PHE 576 CO 0.10 -0.16 -0.09 0.08 -1.46 0.00 0.00 175.22 173.69 3i01 s VAL 577 N 1.06 0.72 0.00 3.12 1.01 -0.72 -4.28 120.40 121.32 3i01 s VAL 577 Ca -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i01 s VAL 577 Cb -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3i01 s VAL 577 CO -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 175.10 175.12 3i01 s ALA 578 N -0.48 3.27 -0.04 5.51 0.00 -0.61 -1.45 121.76 127.97 3i01 s ALA 578 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i01 s ALA 578 Cb -0.05 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3i01 s ALA 578 CO 0.00 0.65 -0.09 0.45 0.00 0.00 0.00 175.76 176.77 3i01 s SER 579 N -1.57 1.28 -0.49 0.00 0.15 0.02 -0.93 113.70 112.15 3i01 s SER 579 Ca 0.20 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.68 3i01 s SER 579 Cb -0.11 -0.44 0.14 0.00 -1.71 0.00 0.00 66.02 63.90 3i01 s SER 579 CO 0.10 0.04 0.28 0.00 1.20 0.00 0.00 173.24 174.86 3i01 s ALA 580 N 0.39 2.66 0.32 5.45 0.00 0.20 -0.71 121.76 130.07 3i01 s ALA 580 Ca -0.07 -2.93 0.22 0.00 0.00 0.00 0.00 51.96 49.18 3i01 s ALA 580 Cb -0.11 -1.99 1.06 0.00 0.00 0.00 0.00 23.12 22.08 3i01 s ALA 580 CO 0.01 -2.05 1.92 -1.35 0.00 0.00 0.00 175.76 174.29 3i01 h PRO 581 N 6.47 0.00 -0.76 0.00 0.11 -1.82 0.33 132.00 136.33 3i01 h PRO 581 Ca -0.00 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 3i01 h PRO 581 Cb 0.90 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.60 3i01 h PRO 581 CO 0.57 0.24 -1.00 0.39 -0.21 0.00 0.00 178.00 177.98 3i01 n GLU 582 N -3.71 2.36 -1.68 1.05 1.02 -1.26 -3.55 120.64 114.86 3i01 n GLU 582 Ca -0.01 -3.77 -0.43 0.00 -0.02 0.00 0.00 57.16 52.93 3i01 n GLU 582 Cb 0.35 -1.81 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3i01 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i01 n ALA 583 N -0.52 1.19 0.00 0.62 0.00 -1.22 -2.46 120.51 118.13 3i01 n ALA 583 Ca 0.22 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3i01 n ALA 583 Cb 0.83 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3i01 n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i01 n MET 584 N 1.10 0.00 -1.74 0.00 0.00 -1.26 -4.70 117.12 110.52 3i01 n MET 584 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.46 3i01 n MET 584 Cb 0.34 -0.04 0.04 0.00 0.00 0.00 0.00 33.22 33.56 3i01 n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3i01 s SER 585 N -4.98 5.55 0.43 6.12 1.04 -1.26 -4.89 113.70 115.71 3i01 s SER 585 Ca 0.00 1.67 0.15 0.00 0.48 0.00 0.00 55.95 58.25 3i01 s SER 585 Cb 0.00 -2.51 1.04 0.00 0.10 0.00 0.00 66.02 64.65 3i01 s SER 585 CO 0.00 -1.33 1.93 1.23 0.98 0.00 0.00 173.24 176.05 3i01 h GLY 586 N -0.33 0.70 0.89 7.32 0.00 -1.94 -2.30 103.07 107.41 3i01 h GLY 586 Ca -0.45 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 46.73 3i01 h GLY 586 CO 0.57 0.07 0.59 0.50 0.00 0.00 0.00 176.54 178.27 3i01 h LYS 587 N 0.42 1.12 -0.26 4.80 1.57 -1.82 -0.58 116.57 121.83 3i01 h LYS 587 Ca 0.36 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 3i01 h LYS 587 Cb 0.80 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3i01 h LYS 587 CO -0.11 0.74 -0.50 0.00 -0.57 0.00 0.00 179.45 179.01 3i01 h ALA 588 N 1.37 0.64 -0.27 3.86 0.00 -1.78 -0.98 119.26 122.10 3i01 h ALA 588 Ca 0.36 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 588 Cb -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 3i01 h ALA 588 CO -0.12 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 3i01 h ALA 589 N 0.88 -0.03 -0.30 0.00 0.00 -1.11 -0.54 119.26 118.17 3i01 h ALA 589 Ca 0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 589 Cb 1.06 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3i01 h ALA 589 CO 0.10 -0.61 0.13 0.00 0.00 0.00 0.00 179.25 178.87 3i01 h ALA 590 N 0.94 0.35 -0.36 0.00 0.00 -1.08 -2.06 119.26 117.05 3i01 h ALA 590 Ca 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i01 h ALA 590 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i01 h ALA 590 CO -0.38 -0.26 0.07 0.82 0.00 0.00 0.00 179.25 179.50 3i01 h ILE 591 N 0.28 1.23 -0.80 0.00 2.04 -1.03 -2.11 117.51 117.13 3i01 h ILE 591 Ca 0.13 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3i01 h ILE 591 Cb 0.06 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3i01 h ILE 591 CO -0.10 0.28 0.53 1.23 0.00 0.00 0.00 178.15 180.08 3i01 h GLY 592 N 0.44 1.13 1.12 5.37 0.00 -1.05 -2.10 103.07 107.97 3i01 h GLY 592 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3i01 h GLY 592 CO 0.01 0.32 0.00 -0.84 0.00 0.00 0.00 176.54 176.03 3i01 h THR 593 N 0.96 1.26 0.00 4.70 2.02 -1.01 -2.32 112.91 118.52 3i01 h THR 593 Ca 0.32 -1.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.23 3i01 h THR 593 Cb 0.08 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3i01 h THR 593 CO -0.10 0.42 -0.62 4.11 0.37 0.00 0.00 175.52 179.70 3i01 h TRP 594 N 0.96 0.00 -0.55 3.16 5.08 -1.19 -1.94 115.95 121.47 3i01 h TRP 594 Ca 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.10 3i01 h TRP 594 Cb 0.55 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.69 3i01 h TRP 594 CO 0.04 0.62 0.20 -1.49 -1.28 0.00 0.00 178.44 176.52 3i01 h TRP 595 N 0.00 0.85 -0.34 0.12 -0.00 -1.29 0.47 115.95 115.77 3i01 h TRP 595 Ca -0.01 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.84 3i01 h TRP 595 Cb 1.33 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 30.20 3i01 h TRP 595 CO 0.00 0.71 0.13 0.28 -0.00 0.00 0.00 178.44 179.56 3i01 h VAL 596 N 0.75 0.92 -0.86 1.49 2.07 -1.33 -2.38 116.25 116.91 3i01 h VAL 596 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3i01 h VAL 596 Cb 0.24 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3i01 h VAL 596 CO -0.01 0.05 0.55 0.28 0.02 0.00 0.00 177.57 178.46 3i01 h SER 597 N 0.28 1.01 0.00 0.57 0.02 -1.11 -2.63 113.55 111.68 3i01 h SER 597 Ca 0.15 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3i01 h SER 597 Cb 0.11 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3i01 h SER 597 CO -0.15 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.47 3i01 n LEU 598 N -4.39 0.00 0.00 5.07 4.77 0.13 -4.90 117.00 117.69 3i01 n LEU 598 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3i01 n LEU 598 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i01 n LEU 598 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3i01 n GLY 599 N 0.93 1.14 3.57 -0.72 0.00 -0.95 -4.68 105.19 104.49 3i01 n GLY 599 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3i01 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 600 N -2.00 3.76 0.23 1.61 1.01 -0.94 -3.36 120.40 120.71 3i01 s VAL 600 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 3i01 s VAL 600 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.71 3i01 s VAL 600 CO 0.00 0.58 1.59 -2.84 0.00 0.00 0.00 175.10 174.43 3i01 s PRO 601 N -0.61 4.17 -0.25 2.72 0.02 -1.26 -3.19 135.00 136.60 3i01 s PRO 601 Ca 0.09 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 3i01 s PRO 601 Cb -0.12 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.39 3i01 s PRO 601 CO 0.02 -0.62 0.04 0.99 -0.33 0.00 0.00 177.00 177.10 3i01 s THR 602 N 0.61 0.98 0.16 0.99 2.01 0.88 -1.58 115.64 119.69 3i01 s THR 602 Ca 0.67 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 3i01 s THR 602 Cb -0.46 -1.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.45 3i01 s THR 602 CO 0.38 -0.37 0.98 -2.28 -0.69 0.00 0.00 174.62 172.64 3i01 s HIS 603 N 1.61 3.82 -0.08 4.92 5.04 -0.10 -0.57 115.29 129.93 3i01 s HIS 603 Ca 0.02 1.80 0.02 0.00 -1.54 0.00 0.00 55.06 55.36 3i01 s HIS 603 Cb -0.18 -3.08 0.01 0.00 0.04 0.00 0.00 32.58 29.38 3i01 s HIS 603 CO -0.14 0.12 -0.12 0.08 -2.34 0.00 0.00 174.74 172.34 3i01 s VAL 604 N -0.34 1.18 -1.79 0.89 1.01 -0.72 0.61 120.40 121.24 3i01 s VAL 604 Ca 0.46 -0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.12 3i01 s VAL 604 Cb -0.25 -1.09 0.52 0.00 0.00 0.00 0.00 36.38 35.56 3i01 s VAL 604 CO 0.31 0.37 1.42 0.61 0.00 0.00 0.00 175.10 177.82 3i01 n GLY 605 N 3.99 1.78 3.13 4.51 0.00 0.12 -2.74 105.19 115.97 3i01 n GLY 605 Ca -0.21 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 3i01 n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i01 s THR 606 N -1.39 0.59 -0.24 2.61 -4.23 -1.26 -4.34 115.64 107.39 3i01 s THR 606 Ca 0.38 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 3i01 s THR 606 Cb 0.21 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 3i01 s THR 606 CO 0.24 -0.72 0.48 -0.32 -0.54 0.00 0.00 174.62 173.76 3i01 s MET 607 N -3.09 4.10 0.96 3.99 1.75 -1.26 -4.87 119.30 120.87 3i01 s MET 607 Ca 0.04 0.29 -0.12 0.00 -1.25 0.00 0.00 55.69 54.65 3i01 s MET 607 Cb 0.00 -3.62 0.17 0.00 2.84 0.00 0.00 34.83 34.22 3i01 s MET 607 CO -0.04 -0.27 1.09 -2.14 -0.65 0.00 0.00 175.02 173.02 3i01 s PRO 608 N 2.03 0.75 -1.24 4.11 0.02 -1.26 -4.89 135.00 134.52 3i01 s PRO 608 Ca 0.21 0.67 -0.18 0.00 0.02 0.00 0.00 61.00 61.72 3i01 s PRO 608 Cb -0.15 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3i01 s PRO 608 CO 0.09 -2.55 2.00 -0.35 -0.33 0.00 0.00 177.00 175.86 3i01 n PRO 609 N -4.08 2.52 0.00 5.54 -0.04 -1.25 -4.37 135.00 133.32 3i01 n PRO 609 Ca 0.06 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 3i01 n PRO 609 Cb 0.56 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 3i01 n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i01 n VAL 610 N 5.96 0.00 0.37 0.52 0.24 -1.24 -3.94 118.33 120.25 3i01 n VAL 610 Ca 0.50 -0.11 0.14 0.00 -2.04 0.00 0.00 64.34 62.83 3i01 n VAL 610 Cb 0.42 0.55 0.53 0.00 -1.47 0.00 0.00 33.84 33.87 3i01 n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3i01 h GLU 611 N 0.00 0.00 0.00 7.34 5.08 -1.75 -2.48 114.58 122.77 3i01 h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i01 h GLU 611 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i01 h GLU 611 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3i01 n GLY 612 N 0.21 -1.00 2.91 -3.84 0.00 0.16 -4.36 105.19 99.26 3i01 n GLY 612 Ca 0.02 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3i01 n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i01 s SER 613 N -3.80 3.31 0.34 1.61 0.15 -0.93 -4.90 113.70 109.47 3i01 s SER 613 Ca 0.02 -0.90 0.04 0.00 0.70 0.00 0.00 55.95 55.80 3i01 s SER 613 Cb 0.07 -1.03 0.65 0.00 -1.71 0.00 0.00 66.02 64.00 3i01 s SER 613 CO 0.26 -0.21 1.95 0.44 1.20 0.00 0.00 173.24 176.88 3i01 h ASP 614 N 8.05 0.76 0.16 5.45 3.32 -1.83 -0.27 116.42 132.05 3i01 h ASP 614 Ca -0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3i01 h ASP 614 Cb 1.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3i01 h ASP 614 CO 0.41 0.50 -0.08 0.25 -1.72 0.00 0.00 179.24 178.60 3i01 h LEU 615 N 0.86 -0.18 -0.62 1.55 6.46 -1.94 0.19 115.31 121.63 3i01 h LEU 615 Ca 0.33 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 3i01 h LEU 615 Cb 0.19 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 3i01 h LEU 615 CO -0.11 0.11 0.26 0.40 -0.62 0.00 0.00 178.44 178.48 3i01 h ILE 616 N -0.49 1.23 -0.26 4.05 1.08 -1.84 0.37 117.51 121.65 3i01 h ILE 616 Ca -0.02 -0.71 0.04 0.00 -0.39 0.00 0.00 64.86 63.78 3i01 h ILE 616 Cb 0.38 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3i01 h ILE 616 CO 0.04 0.28 0.03 0.22 -0.69 0.00 0.00 178.15 178.03 3i01 h TYR 617 N 0.87 0.05 -0.69 1.37 5.03 -0.92 -1.44 116.97 121.24 3i01 h TYR 617 Ca 0.21 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.50 3i01 h TYR 617 Cb 0.19 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 3i01 h TYR 617 CO 0.01 0.00 0.30 1.03 -1.32 0.00 0.00 178.16 178.18 3i01 h SER 618 N 0.13 0.92 -0.44 -2.11 0.87 -0.32 -1.67 113.55 110.92 3i01 h SER 618 Ca 0.12 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3i01 h SER 618 Cb 0.13 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3i01 h SER 618 CO -0.17 0.80 0.23 0.40 -0.53 0.00 0.00 176.83 177.56 3i01 h ILE 619 N 0.99 0.98 -0.31 2.23 2.04 -0.25 -0.57 117.51 122.63 3i01 h ILE 619 Ca 0.24 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 3i01 h ILE 619 Cb 0.15 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3i01 h ILE 619 CO -0.02 0.08 -0.32 -0.07 0.00 0.00 0.00 178.15 177.82 3i01 h LEU 620 N 0.46 0.70 0.00 1.44 3.38 -0.90 0.67 115.31 121.05 3i01 h LEU 620 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i01 h LEU 620 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3i01 h LEU 620 CO -0.12 0.96 -1.63 0.35 0.09 0.00 0.00 178.44 178.09 3i01 n THR 621 N -4.07 0.00 0.03 0.22 -2.24 -0.66 -1.47 114.28 106.08 3i01 n THR 621 Ca -0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3i01 n THR 621 Cb 0.48 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3i01 n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 n GLN 622 N -1.98 0.00 -0.08 -0.78 6.02 -0.28 -4.59 117.38 115.68 3i01 n GLN 622 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.91 3i01 n GLN 622 Cb 0.47 -0.10 0.11 0.00 1.02 0.00 0.00 30.24 31.73 3i01 n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3i01 h ILE 623 N 0.00 1.27 -0.91 5.09 1.08 -1.42 -1.36 117.51 121.25 3i01 h ILE 623 Ca 0.00 -1.29 0.25 0.00 -0.39 0.00 0.00 64.86 63.43 3i01 h ILE 623 Cb 0.00 1.18 -0.14 0.00 -3.07 0.00 0.00 36.82 34.79 3i01 h ILE 623 CO 0.00 0.43 0.35 0.00 -0.69 0.00 0.00 178.15 178.24 3i01 h ALA 624 N 1.11 1.47 -0.28 1.87 0.00 -1.09 0.18 119.26 122.53 3i01 h ALA 624 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i01 h ALA 624 Cb 0.69 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i01 h ALA 624 CO 0.05 -0.46 0.18 0.66 0.00 0.00 0.00 179.25 179.68 3i01 h SER 625 N 0.28 0.33 0.13 0.00 4.64 -0.74 0.13 113.55 118.31 3i01 h SER 625 Ca 0.60 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.62 3i01 h SER 625 Cb 1.24 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3i01 h SER 625 CO -0.62 0.24 -1.19 0.44 -0.87 0.00 0.00 176.83 174.83 3i01 h ASP 626 N 0.39 0.85 0.00 4.97 3.32 -1.07 -2.95 116.42 121.93 3i01 h ASP 626 Ca 0.10 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.37 3i01 h ASP 626 Cb -0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 3i01 h ASP 626 CO -0.02 1.57 -0.18 0.58 -1.72 0.00 0.00 179.24 179.46 3i01 h VAL 627 N 0.29 0.52 0.00 -1.35 2.07 -0.88 -3.41 116.25 113.49 3i01 h VAL 627 Ca -0.17 -1.43 -0.28 0.00 0.82 0.00 0.00 66.70 65.64 3i01 h VAL 627 Cb 1.86 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 3i01 h VAL 627 CO 0.23 0.18 -2.01 -1.22 0.02 0.00 0.00 177.57 174.77 3i01 n TYR 628 N -4.68 0.42 0.00 1.57 4.02 0.34 -5.01 117.16 113.82 3i01 n TYR 628 Ca -0.06 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 3i01 n TYR 628 Cb 0.22 -1.01 0.00 0.00 -0.02 0.00 0.00 39.34 38.52 3i01 n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i01 n GLY 629 N 1.59 2.69 4.00 2.72 0.00 -0.61 -4.29 105.19 111.29 3i01 n GLY 629 Ca -0.22 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3i01 n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i01 s GLY 630 N -2.38 1.84 -0.12 -0.02 0.00 -1.18 -4.58 107.32 100.88 3i01 s GLY 630 Ca 0.00 -1.59 -0.32 0.00 0.00 0.00 0.00 44.72 42.81 3i01 s GLY 630 CO 0.00 -1.43 1.07 -2.52 0.00 0.00 0.00 173.10 170.22 3i01 s TYR 631 N -2.31 -0.23 0.08 1.90 -0.85 -1.19 -2.19 117.35 112.56 3i01 s TYR 631 Ca 0.52 0.17 -0.26 0.00 -0.52 0.00 0.00 57.07 56.97 3i01 s TYR 631 Cb -0.10 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 3i01 s TYR 631 CO 0.33 -0.34 0.82 -0.06 -1.52 0.00 0.00 175.55 174.78 3i01 s PHE 632 N -2.57 3.79 -0.48 -3.49 0.40 -0.55 -0.09 117.98 115.00 3i01 s PHE 632 Ca 0.07 1.59 -0.05 0.00 -0.60 0.00 0.00 56.93 57.94 3i01 s PHE 632 Cb -0.01 -2.88 0.13 0.00 0.51 0.00 0.00 43.02 40.76 3i01 s PHE 632 CO -0.06 0.29 0.31 0.42 0.70 0.00 0.00 175.22 176.88 3i01 s ILE 633 N -0.21 3.75 -0.31 0.64 1.01 0.27 -4.51 121.20 121.84 3i01 s ILE 633 Ca 0.41 -2.12 -0.21 0.00 0.00 0.00 0.00 60.65 58.72 3i01 s ILE 633 Cb -0.22 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3i01 s ILE 633 CO 0.25 -0.76 0.67 -0.36 0.00 0.00 0.00 174.94 174.74 3i01 s PHE 634 N 1.00 3.20 -0.30 3.97 2.99 -1.26 -1.76 117.98 125.82 3i01 s PHE 634 Ca 0.09 0.62 -0.06 0.00 0.00 0.00 0.00 56.93 57.58 3i01 s PHE 634 Cb -0.23 -3.06 0.16 0.00 0.00 0.00 0.00 43.02 39.89 3i01 s PHE 634 CO -0.03 -0.51 0.63 -2.00 -0.00 0.00 0.00 175.22 173.31 3i01 s GLU 635 N 2.70 0.57 0.19 0.44 2.56 -1.11 -3.52 118.70 120.54 3i01 s GLU 635 Ca 0.27 1.23 0.12 0.00 0.00 0.00 0.00 54.97 56.59 3i01 s GLU 635 Cb -0.15 0.72 -0.06 0.00 2.00 0.00 0.00 34.13 36.64 3i01 s GLU 635 CO 0.12 -0.39 1.31 0.52 -0.56 0.00 0.00 175.26 176.25 3i01 h MET 636 N 7.99 0.00 -5.76 4.30 2.86 -1.82 -3.37 114.93 119.12 3i01 h MET 636 Ca -0.20 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.84 3i01 h MET 636 Cb 1.13 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.69 3i01 h MET 636 CO 0.17 0.66 0.40 0.34 1.06 0.00 0.00 176.91 179.54 3i01 s ASP 637 N -6.48 6.69 0.38 1.22 3.68 -1.26 -4.94 116.67 115.96 3i01 s ASP 637 Ca 0.02 0.74 0.09 0.00 2.13 0.00 0.00 52.55 55.53 3i01 s ASP 637 Cb 0.09 -2.41 0.76 0.00 -1.45 0.00 0.00 42.92 39.91 3i01 s ASP 637 CO 0.78 -0.58 1.90 1.55 0.13 0.00 0.00 175.17 178.95 3i01 h PRO 638 N 8.02 0.25 0.11 4.34 0.13 -1.91 0.56 132.00 143.50 3i01 h PRO 638 Ca -0.24 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3i01 h PRO 638 Cb 1.10 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3i01 h PRO 638 CO 0.88 0.39 -0.05 0.37 -0.23 0.00 0.00 178.00 179.36 3i01 h GLN 639 N 0.24 -0.14 -1.00 0.86 5.75 -1.92 -2.04 115.11 116.85 3i01 h GLN 639 Ca 0.05 0.01 0.17 0.00 -0.15 0.00 0.00 58.65 58.73 3i01 h GLN 639 Cb 0.39 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 28.87 3i01 h GLN 639 CO 0.02 0.29 0.61 0.28 -2.65 0.00 0.00 178.83 177.39 3i01 h VAL 640 N -0.64 0.77 -0.74 2.39 2.07 -1.96 -2.51 116.25 115.62 3i01 h VAL 640 Ca -0.02 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3i01 h VAL 640 Cb 0.50 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3i01 h VAL 640 CO 0.02 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.10 3i01 h ALA 641 N 1.61 0.96 -0.09 1.67 0.00 -0.71 -1.42 119.26 121.29 3i01 h ALA 641 Ca 0.55 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 3i01 h ALA 641 Cb 0.77 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i01 h ALA 641 CO -0.35 0.55 -0.56 0.00 0.00 0.00 0.00 179.25 178.89 3i01 h ALA 642 N 1.17 0.89 0.20 0.00 0.00 -0.94 -0.77 119.26 119.80 3i01 h ALA 642 Ca 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3i01 h ALA 642 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i01 h ALA 642 CO -0.03 0.70 -0.10 -0.09 0.00 0.00 0.00 179.25 179.73 3i01 h ARG 643 N 0.20 -0.26 -0.98 0.00 2.43 -1.18 -0.89 114.38 113.70 3i01 h ARG 643 Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3i01 h ARG 643 Cb 1.04 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 3i01 h ARG 643 CO 0.09 -0.13 0.63 0.87 -1.51 0.00 0.00 179.97 179.91 3i01 h LYS 644 N -0.32 1.03 -0.07 0.20 1.57 -1.05 0.79 116.57 118.73 3i01 h LYS 644 Ca -0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3i01 h LYS 644 Cb 0.24 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3i01 h LYS 644 CO 0.05 0.68 -0.00 0.82 -0.57 0.00 0.00 179.45 180.42 3i01 h ILE 645 N 1.06 1.26 -0.85 1.86 2.04 -1.04 0.32 117.51 122.15 3i01 h ILE 645 Ca 0.45 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.53 3i01 h ILE 645 Cb 0.31 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3i01 h ILE 645 CO -0.20 0.22 0.56 -0.07 0.00 0.00 0.00 178.15 178.67 3i01 h LEU 646 N -0.17 0.94 -0.96 1.44 3.38 -0.69 0.16 115.31 119.42 3i01 h LEU 646 Ca 0.02 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3i01 h LEU 646 Cb 0.35 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3i01 h LEU 646 CO 0.00 0.66 0.58 0.44 0.09 0.00 0.00 178.44 180.22 3i01 h ASP 647 N 1.10 0.83 0.11 -0.43 3.32 -0.69 -0.73 116.42 119.93 3i01 h ASP 647 Ca 0.33 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.28 3i01 h ASP 647 Cb -0.05 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3i01 h ASP 647 CO -0.09 0.43 -0.56 0.00 -1.72 0.00 0.00 179.24 177.31 3i01 h ALA 648 N 1.53 0.74 -0.14 3.45 0.00 0.15 -1.31 119.26 123.67 3i01 h ALA 648 Ca 0.48 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 648 Cb 0.51 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i01 h ALA 648 CO -0.28 0.69 -0.79 -0.07 0.00 0.00 0.00 179.25 178.80 3i01 h LEU 649 N 0.36 0.91 -0.48 0.00 3.38 -0.81 -3.10 115.31 115.58 3i01 h LEU 649 Ca 0.00 -0.60 -0.12 0.00 0.09 0.00 0.00 57.88 57.25 3i01 h LEU 649 Cb 1.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3i01 h LEU 649 CO 0.10 1.40 -0.18 -0.08 0.09 0.00 0.00 178.44 179.77 3i01 h GLU 650 N 0.52 0.97 -0.69 1.13 4.22 -1.10 0.31 114.58 119.93 3i01 h GLU 650 Ca -0.05 -0.40 0.15 0.00 0.08 0.00 0.00 59.36 59.14 3i01 h GLU 650 Cb 1.42 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.51 3i01 h GLU 650 CO 0.16 1.07 0.03 -0.92 -2.18 0.00 0.00 179.01 177.18 3i01 h TYR 651 N 0.82 0.01 0.23 0.92 3.20 -1.25 0.41 116.97 121.31 3i01 h TYR 651 Ca 0.11 0.05 -0.33 0.00 3.14 0.00 0.00 58.73 61.71 3i01 h TYR 651 Cb 0.76 0.10 0.03 0.00 1.54 0.00 0.00 36.73 39.16 3i01 h TYR 651 CO 0.05 -0.18 -1.44 0.00 -1.64 0.00 0.00 178.16 174.95 3i01 h ARG 652 N 0.14 0.49 -0.71 1.82 3.08 -1.23 -1.23 114.38 116.73 3i01 h ARG 652 Ca 0.38 -0.84 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 3i01 h ARG 652 Cb 0.64 0.31 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3i01 h ARG 652 CO -0.58 1.40 0.21 1.79 -1.07 0.00 0.00 179.97 181.72 3i01 h THR 653 N 0.13 1.26 0.76 2.04 1.35 -0.17 -1.48 112.91 116.81 3i01 h THR 653 Ca -0.23 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 64.69 3i01 h THR 653 Cb 2.14 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3i01 h THR 653 CO 0.26 0.35 -0.44 -0.25 -0.25 0.00 0.00 175.52 175.19 3i01 h TRP 654 N 1.05 -1.17 -0.65 4.73 7.01 -0.21 -1.71 115.95 125.01 3i01 h TRP 654 Ca 0.23 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 3i01 h TRP 654 Cb 0.31 0.41 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 3i01 h TRP 654 CO 0.02 -0.67 0.29 -0.22 -2.79 0.00 0.00 178.44 175.08 3i01 h LYS 655 N -1.12 0.92 -0.76 2.65 3.64 -1.24 -1.78 116.57 118.88 3i01 h LYS 655 Ca -0.10 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3i01 h LYS 655 Cb 0.89 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 3i01 h LYS 655 CO 0.12 0.72 0.38 1.25 -2.27 0.00 0.00 179.45 179.65 3i01 h LEU 656 N 0.92 0.98 -0.46 5.20 6.46 -1.19 -0.98 115.31 126.23 3i01 h LEU 656 Ca 0.22 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 3i01 h LEU 656 Cb 0.12 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 3i01 h LEU 656 CO -0.03 0.83 0.05 1.23 -0.62 0.00 0.00 178.44 179.90 3i01 h GLY 657 N 1.06 0.85 0.93 3.75 0.00 -0.54 -1.89 103.07 107.24 3i01 h GLY 657 Ca 0.26 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3i01 h GLY 657 CO -0.04 0.54 0.07 -2.08 0.00 0.00 0.00 176.54 175.04 3i01 h VAL 658 N 0.65 1.24 -0.55 4.60 2.07 -1.15 -1.03 116.25 122.08 3i01 h VAL 658 Ca 0.14 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3i01 h VAL 658 Cb 0.43 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3i01 h VAL 658 CO 0.01 0.29 0.11 0.45 0.02 0.00 0.00 177.57 178.46 3i01 h HIS 659 N 0.49 0.88 -0.08 1.57 -0.00 -1.07 -0.40 115.15 116.54 3i01 h HIS 659 Ca 0.12 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3i01 h HIS 659 Cb 0.36 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 3i01 h HIS 659 CO 0.02 0.75 0.03 0.87 -0.00 0.00 0.00 177.93 179.60 3i01 h LYS 660 N 0.81 0.12 -0.04 2.45 1.57 -1.11 -0.68 116.57 119.70 3i01 h LYS 660 Ca 0.18 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3i01 h LYS 660 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3i01 h LYS 660 CO 0.00 0.26 -0.10 1.49 -0.57 0.00 0.00 179.45 180.53 3i01 h GLU 661 N -0.04 -0.15 -0.26 3.15 4.22 -0.96 -1.82 114.58 118.72 3i01 h GLU 661 Ca 0.03 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.50 3i01 h GLU 661 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3i01 h GLU 661 CO -0.00 -0.10 0.11 0.28 -2.18 0.00 0.00 179.01 177.12 3i01 h VAL 662 N -0.15 0.97 -0.41 0.32 2.07 -1.06 0.80 116.25 118.79 3i01 h VAL 662 Ca 0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i01 h VAL 662 Cb 0.22 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3i01 h VAL 662 CO -0.13 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.76 3i01 h ALA 663 N 1.15 1.68 0.09 1.67 0.00 -0.90 0.28 119.26 123.23 3i01 h ALA 663 Ca 0.11 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 3i01 h ALA 663 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i01 h ALA 663 CO -0.09 0.29 -1.15 1.49 0.00 0.00 0.00 179.25 179.78 3i01 h GLU 664 N 0.56 0.40 0.31 0.00 4.81 -0.62 0.13 114.58 120.18 3i01 h GLU 664 Ca 0.15 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 3i01 h GLU 664 Cb -0.03 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3i01 h GLU 664 CO -0.03 1.22 -0.15 -0.09 -0.73 0.00 0.00 179.01 179.23 3i01 h ARG 665 N 0.17 -0.40 -0.00 1.92 2.43 -0.46 -3.19 114.38 114.85 3i01 h ARG 665 Ca -0.13 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3i01 h ARG 665 Cb 1.84 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 3i01 h ARG 665 CO 0.20 -0.08 -0.01 0.66 -1.51 0.00 0.00 179.97 179.23 3i01 n TYR 666 N -5.12 0.00 -3.33 2.20 4.02 0.94 -4.97 117.16 110.90 3i01 n TYR 666 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.70 3i01 n TYR 666 Cb 0.27 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 3i01 n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3i01 n GLU 667 N -1.37 -1.40 -4.26 -0.72 1.02 0.17 -5.03 120.64 109.05 3i01 n GLU 667 Ca 0.11 1.22 -0.14 0.00 -0.02 0.00 0.00 57.16 58.33 3i01 n GLU 667 Cb 0.29 -4.52 -0.10 0.00 -0.02 0.00 0.00 31.44 27.09 3i01 n GLU 667 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i01 s THR 668 N -3.01 0.61 0.85 2.62 -4.23 0.22 -5.01 115.64 107.69 3i01 s THR 668 Ca 0.01 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 3i01 s THR 668 Cb -0.00 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 3i01 s THR 668 CO 0.80 -0.33 0.26 0.29 -0.54 0.00 0.00 174.62 175.11 3i01 n LYS 669 N -0.30 -0.00 -2.23 3.99 5.02 -1.26 -4.68 118.16 118.69 3i01 n LYS 669 Ca -0.04 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3i01 n LYS 669 Cb 0.64 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3i01 n LYS 669 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i01 s LEU 670 N 0.78 4.44 0.19 -0.35 2.96 -1.26 -4.82 118.68 120.62 3i01 s LEU 670 Ca 0.58 2.46 -0.31 0.00 -0.22 0.00 0.00 54.13 56.64 3i01 s LEU 670 Cb -0.27 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.69 3i01 s LEU 670 CO 0.66 -0.47 1.54 0.00 -1.32 0.00 0.00 176.35 176.76 3i01 n GLN 672 N 3.50 2.31 -1.78 0.00 1.13 -1.26 -4.94 117.38 116.34 3i01 n GLN 672 Ca 0.12 -1.97 -0.41 0.00 -1.94 0.00 0.00 57.00 52.80 3i01 n GLN 672 Cb 0.39 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.26 3i01 n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i01 n GLY 673 N 1.41 1.22 0.00 1.08 0.00 -1.26 -4.94 105.19 102.70 3i01 n GLY 673 Ca 0.18 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.60 3i01 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60