#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sie n ALA 18 N 0.00 -2.07 -0.32 3.14 0.00 -1.26 -4.67 120.51 115.33 1sie n ALA 18 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1sie n ALA 18 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 1sie n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sie n PRO 20 N 1.39 0.00 -2.86 0.00 -0.02 -1.26 -4.88 135.00 127.37 1sie n PRO 20 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 1sie n PRO 20 Cb -0.01 -0.19 -0.04 0.00 -0.02 0.00 0.00 33.50 33.24 1sie n PRO 20 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sie s ARG 21 N -0.19 3.37 0.00 -0.52 3.00 -1.26 -5.03 118.95 118.32 1sie s ARG 21 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 55.73 55.65 1sie s ARG 21 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 30.80 1sie s ARG 21 CO 0.12 -1.39 0.00 -0.35 0.00 0.00 0.00 175.30 173.67 1sie n PRO 22 N 7.29 0.23 -1.76 3.54 -0.04 -1.26 -4.93 135.00 138.07 1sie n PRO 22 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1sie n PRO 22 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 1sie n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sie s ALA 23 N -2.11 3.45 -1.44 0.55 0.00 -1.26 -4.92 121.76 116.04 1sie s ALA 23 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1sie s ALA 23 Cb 0.00 -3.86 0.05 0.00 0.00 0.00 0.00 23.12 19.31 1sie s ALA 23 CO 0.00 -1.74 2.18 -2.30 0.00 0.00 0.00 175.76 173.90 1sie n PRO 24 N 7.64 2.93 -3.06 0.00 -0.02 -1.26 -4.97 135.00 136.26 1sie n PRO 24 Ca 0.21 -2.71 -0.32 0.00 -2.02 0.00 0.00 63.50 58.66 1sie n PRO 24 Cb 0.42 -3.27 -0.06 0.00 -0.02 0.00 0.00 33.50 30.57 1sie n PRO 24 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sie s VAL 25 N 3.00 4.63 0.05 -1.45 1.01 -1.26 -5.02 120.40 121.35 1sie s VAL 25 Ca 0.47 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 1sie s VAL 25 Cb 0.13 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1sie s VAL 25 CO -0.08 -0.23 1.33 -2.16 0.00 0.00 0.00 175.10 173.96 1sie s PRO 26 N -3.06 4.34 -0.36 2.72 0.04 -1.26 -4.94 135.00 132.48 1sie s PRO 26 Ca 0.56 1.92 -0.34 0.00 0.04 0.00 0.00 61.00 63.17 1sie s PRO 26 Cb -0.10 -3.41 -0.11 0.00 0.04 0.00 0.00 34.50 30.92 1sie s PRO 26 CO 0.17 -0.44 2.22 1.17 0.04 0.00 0.00 177.00 180.16 1sie n LYS 27 N 4.53 1.09 -2.67 4.56 3.00 -1.26 -4.95 118.16 122.45 1sie n LYS 27 Ca 0.11 0.28 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 1sie n LYS 27 Cb 0.44 -2.51 -0.03 0.00 0.00 0.00 0.00 35.03 32.93 1sie n LYS 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1sie s LEU 28 N 7.61 4.32 -0.02 3.14 2.96 -1.26 -4.89 118.68 130.54 1sie s LEU 28 Ca 1.09 1.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.53 1sie s LEU 28 Cb -0.82 -3.56 -0.32 0.00 0.50 0.00 0.00 46.19 41.99 1sie s LEU 28 CO 0.47 -0.36 0.78 -0.07 -1.32 0.00 0.00 176.35 175.85 1sie h LEU 29 N 7.34 0.67 0.00 -0.68 3.38 -1.96 -3.48 115.31 120.58 1sie h LEU 29 Ca -0.37 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1sie h LEU 29 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1sie h LEU 29 CO 0.80 1.74 0.00 0.00 0.09 0.00 0.00 178.44 181.08 1sie n ILE 30 N -3.62 0.00 -3.85 1.22 3.06 -1.26 -5.17 119.36 109.75 1sie n ILE 30 Ca -0.22 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 59.82 1sie n ILE 30 Cb 1.08 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 41.22 1sie n ILE 30 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1sie s LYS 31 N -0.98 2.64 0.00 9.51 -2.85 -1.26 -5.07 119.74 121.74 1sie s LYS 31 Ca 0.00 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.60 1sie s LYS 31 Cb 0.00 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1sie s LYS 31 CO 0.00 0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1sie n GLY 32 N -1.34 -0.12 0.04 0.59 0.00 -1.26 -5.01 105.19 98.08 1sie n GLY 32 Ca -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.87 1sie n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 33 N 0.00 1.87 0.31 -0.02 0.00 -1.26 -4.96 105.19 101.13 1sie n GLY 33 Ca 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.96 1sie n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sie h MET 34 N 0.00 0.04 -0.82 1.61 2.86 -2.00 -1.40 114.93 115.22 1sie h MET 34 Ca -0.00 -0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.96 1sie h MET 34 Cb 0.01 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1sie h MET 34 CO 0.00 0.02 0.48 -0.85 1.06 0.00 0.00 176.91 177.62 1sie n GLU 35 N -5.47 -0.04 -0.07 1.72 0.00 -1.26 -0.74 120.64 114.77 1sie n GLU 35 Ca 0.15 0.98 -0.09 0.00 0.00 0.00 0.00 57.16 58.20 1sie n GLU 35 Cb 0.52 -1.82 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 1sie n GLU 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sie h VAL 36 N 0.00 0.21 -0.87 3.84 2.07 -1.62 -2.23 116.25 117.65 1sie h VAL 36 Ca 0.63 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.34 1sie h VAL 36 Cb 1.79 0.21 -0.16 0.00 -1.52 0.00 0.00 31.29 31.60 1sie h VAL 36 CO -0.50 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 177.12 1sie n LEU 37 N -5.42 -0.26 -0.34 2.57 4.32 0.08 -1.18 117.00 116.76 1sie n LEU 37 Ca -0.01 1.48 0.22 0.00 -0.02 0.00 0.00 56.01 57.68 1sie n LEU 37 Cb 0.34 -0.47 0.45 0.00 -1.62 0.00 0.00 43.42 42.12 1sie n LEU 37 CO 0.09 -1.44 1.15 0.44 -1.22 0.00 0.00 177.39 176.41 1sie h ASP 38 N 0.00 0.56 -4.36 -1.43 5.19 -1.55 -3.39 116.42 111.44 1sie h ASP 38 Ca 0.44 0.16 -0.51 0.00 -0.62 0.00 0.00 57.03 56.51 1sie h ASP 38 Cb 0.74 0.09 0.08 0.00 0.18 0.00 0.00 39.33 40.42 1sie h ASP 38 CO -0.87 -0.03 0.40 -1.48 -3.12 0.00 0.00 179.24 174.13 1sie s LEU 39 N -10.30 3.12 -0.38 1.55 0.05 -0.33 -4.85 118.68 107.54 1sie s LEU 39 Ca -0.10 1.46 -0.45 0.00 0.05 0.00 0.00 54.13 55.09 1sie s LEU 39 Cb 0.29 -4.39 -0.19 0.00 -2.05 0.00 0.00 46.19 39.84 1sie s LEU 39 CO 0.79 -1.19 1.54 0.52 -0.55 0.00 0.00 176.35 177.46 1sie n VAL 40 N -2.96 0.05 -0.05 1.48 0.31 -1.26 -4.82 118.33 111.08 1sie n VAL 40 Ca 0.07 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 1sie n VAL 40 Cb 0.54 -0.54 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1sie n VAL 40 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1sie h THR 41 N 4.70 0.00 0.00 2.52 2.02 -1.89 -3.51 112.91 116.76 1sie h THR 41 Ca -0.45 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1sie h THR 41 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1sie h THR 41 CO 0.92 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.42 1sie n GLY 42 N 1.71 0.11 0.55 2.16 0.00 -1.26 -4.90 105.19 103.56 1sie n GLY 42 Ca -0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1sie n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sie n PRO 43 N 0.00 0.23 -1.35 1.61 -0.04 -1.26 -4.67 135.00 129.53 1sie n PRO 43 Ca 0.00 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1sie n PRO 43 Cb 0.00 -0.87 0.11 0.00 -0.04 0.00 0.00 33.50 32.71 1sie n PRO 43 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sie n ASP 44 N -3.77 4.51 -3.94 3.54 5.68 -1.26 -4.41 116.55 116.91 1sie n ASP 44 Ca -0.06 -3.78 -0.30 0.00 -0.50 0.00 0.00 54.79 50.15 1sie n ASP 44 Cb 0.23 -0.63 0.22 0.00 -1.14 0.00 0.00 41.12 39.79 1sie n ASP 44 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1sie s SER 45 N -2.68 1.85 0.05 -1.12 1.04 -1.26 -4.98 113.70 106.61 1sie s SER 45 Ca 0.52 0.47 0.03 0.00 0.48 0.00 0.00 55.95 57.45 1sie s SER 45 Cb 0.44 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1sie s SER 45 CO 0.01 -3.53 -0.09 -0.69 0.98 0.00 0.00 173.24 169.92 1sie s VAL 46 N -3.39 0.69 -0.01 5.02 1.01 -1.26 -4.39 120.40 118.07 1sie s VAL 46 Ca 0.72 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1sie s VAL 46 Cb -0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1sie s VAL 46 CO 0.55 -0.38 -0.05 -0.89 0.00 0.00 0.00 175.10 174.32 1sie s THR 47 N -1.52 0.44 -0.08 3.92 2.01 -0.64 -5.02 115.64 114.76 1sie s THR 47 Ca -0.07 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1sie s THR 47 Cb -0.09 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1sie s THR 47 CO 0.01 0.13 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.22 1sie s GLU 48 N 0.01 2.83 -0.14 4.92 2.02 -1.26 -0.76 118.70 126.32 1sie s GLU 48 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 1sie s GLU 48 Cb -0.04 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 31.98 1sie s GLU 48 CO -0.00 0.28 0.02 0.42 0.02 0.00 0.00 175.26 176.00 1sie s ILE 49 N 0.09 0.48 0.16 -1.63 1.01 0.12 -4.97 121.20 116.47 1sie s ILE 49 Ca -0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1sie s ILE 49 Cb -0.16 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 1sie s ILE 49 CO 0.06 0.00 0.41 -1.61 0.00 0.00 0.00 174.94 173.81 1sie s GLU 50 N 1.90 3.65 -0.05 2.79 8.01 -1.25 -0.08 118.70 133.67 1sie s GLU 50 Ca 0.02 -0.03 -0.26 0.00 0.01 0.00 0.00 54.97 54.71 1sie s GLU 50 Cb -0.15 -2.81 0.08 0.00 -4.31 0.00 0.00 34.13 26.95 1sie s GLU 50 CO -0.07 0.44 1.16 0.00 0.01 0.00 0.00 175.26 176.80 1sie n ALA 51 N 0.02 -3.32 -3.79 5.21 0.00 -0.60 -4.97 120.51 113.05 1sie n ALA 51 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1sie n ALA 51 Cb 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1sie n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sie s PHE 52 N -2.08 -0.13 -0.05 0.00 -0.71 -1.26 0.53 117.98 114.28 1sie s PHE 52 Ca 0.28 -0.23 0.03 0.00 -1.04 0.00 0.00 56.93 55.96 1sie s PHE 52 Cb -0.00 0.67 0.01 0.00 -1.21 0.00 0.00 43.02 42.48 1sie s PHE 52 CO -0.02 -0.98 -0.14 -0.51 -1.34 0.00 0.00 175.22 172.24 1sie s LEU 53 N -2.96 1.78 0.31 -1.99 1.02 0.02 -4.97 118.68 111.89 1sie s LEU 53 Ca 0.12 -0.30 -0.19 0.00 0.02 0.00 0.00 54.13 53.78 1sie s LEU 53 Cb -0.03 -0.84 -0.09 0.00 0.02 0.00 0.00 46.19 45.25 1sie s LEU 53 CO 0.04 0.08 0.80 0.20 0.02 0.00 0.00 176.35 177.50 1sie s ASN 54 N 0.35 6.99 1.10 2.29 0.02 -1.26 -1.08 114.94 123.35 1sie s ASN 54 Ca -0.09 1.48 -0.15 0.00 -1.02 0.00 0.00 52.86 53.08 1sie s ASN 54 Cb -0.13 -2.45 0.24 0.00 0.02 0.00 0.00 41.25 38.93 1sie s ASN 54 CO 0.03 -0.13 1.09 -2.16 0.02 0.00 0.00 177.10 175.95 1sie s PRO 55 N -2.53 -0.41 -0.48 -0.60 0.04 -1.26 -4.91 135.00 124.85 1sie s PRO 55 Ca 0.51 0.29 0.05 0.00 0.04 0.00 0.00 61.00 61.89 1sie s PRO 55 Cb -0.13 -1.66 0.22 0.00 0.04 0.00 0.00 34.50 32.97 1sie s PRO 55 CO 0.19 -3.24 0.87 0.54 0.04 0.00 0.00 177.00 175.40 1sie n ARG 56 N -4.49 0.59 -4.03 4.56 1.74 -1.26 -4.91 116.66 108.85 1sie n ARG 56 Ca 0.08 -1.70 -0.31 0.00 -0.77 0.00 0.00 57.85 55.15 1sie n ARG 56 Cb 0.58 -1.26 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 1sie n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sie s MET 57 N 0.73 2.10 0.35 5.56 0.23 -1.26 -3.39 119.30 123.62 1sie s MET 57 Ca 0.30 -1.18 0.00 0.00 -1.03 0.00 0.00 55.69 53.78 1sie s MET 57 Cb 0.14 -2.75 0.00 0.00 -1.53 0.00 0.00 34.83 30.68 1sie s MET 57 CO -0.15 -0.55 0.00 0.41 -2.03 0.00 0.00 175.02 172.70 1sie n GLY 58 N 4.53 0.96 3.73 3.16 0.00 -1.11 -2.78 105.19 113.67 1sie n GLY 58 Ca -0.14 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1sie n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sie s GLN 59 N 0.00 4.69 0.51 1.61 2.00 -0.81 -4.54 119.66 123.12 1sie s GLN 59 Ca 0.00 1.43 -0.06 0.00 -2.00 0.00 0.00 55.36 54.73 1sie s GLN 59 Cb 0.00 -3.37 -0.03 0.00 0.80 0.00 0.00 33.01 30.41 1sie s GLN 59 CO 0.00 0.23 0.83 -1.25 -0.50 0.00 0.00 175.29 174.60 1sie s PRO 60 N -0.04 3.43 0.10 1.67 0.04 -1.26 -4.10 135.00 134.83 1sie s PRO 60 Ca 0.46 0.21 -0.34 0.00 0.04 0.00 0.00 61.00 61.37 1sie s PRO 60 Cb -0.23 -2.33 -0.14 0.00 0.04 0.00 0.00 34.50 31.84 1sie s PRO 60 CO 0.29 -0.33 1.57 -1.00 0.04 0.00 0.00 177.00 177.57 1sie h PRO 61 N 0.10 -0.76 0.00 0.56 0.13 -1.98 -3.37 132.00 126.68 1sie h PRO 61 Ca -0.46 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1sie h PRO 61 Cb 1.21 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1sie h PRO 61 CO 0.61 -0.50 0.00 0.25 -0.23 0.00 0.00 178.00 178.13 1sie n THR 62 N -5.50 0.00 -1.28 1.56 -2.24 -1.26 -3.25 114.28 102.30 1sie n THR 62 Ca -0.09 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 1sie n THR 62 Cb 0.42 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 1sie n THR 62 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1sie n PRO 63 N -3.52 1.20 -0.70 -0.78 -0.02 -1.26 -4.68 135.00 125.24 1sie n PRO 63 Ca 0.00 -1.84 0.52 0.00 -2.02 0.00 0.00 63.50 60.16 1sie n PRO 63 Cb 0.00 -3.10 0.80 0.00 -0.02 0.00 0.00 33.50 31.19 1sie n PRO 63 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sie n GLU 64 N 7.54 -0.00 -3.91 -0.52 4.07 -1.20 -4.27 120.64 122.34 1sie n GLU 64 Ca 0.48 1.06 -0.36 0.00 -0.06 0.00 0.00 57.16 58.27 1sie n GLU 64 Cb 0.43 -2.45 -0.07 0.00 -0.06 0.00 0.00 31.44 29.29 1sie n GLU 64 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1sie s SER 65 N -3.87 6.21 -1.43 4.31 0.15 -1.26 -4.95 113.70 112.85 1sie s SER 65 Ca -0.05 0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 1sie s SER 65 Cb 0.26 -2.01 0.05 0.00 -1.71 0.00 0.00 66.02 62.62 1sie s SER 65 CO 0.87 0.36 2.15 0.00 1.20 0.00 0.00 173.24 177.82 1sie n LEU 66 N 2.31 6.66 0.22 3.45 -0.00 -1.26 -1.34 117.00 127.03 1sie n LEU 66 Ca -0.19 -4.16 0.00 0.00 -0.00 0.00 0.00 56.01 51.66 1sie n LEU 66 Cb 0.54 -1.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.31 1sie n LEU 66 CO 0.32 1.04 0.00 0.35 -0.00 0.00 0.00 177.39 179.10 1sie n THR 67 N 5.08 0.00 -0.10 1.47 -2.24 -1.26 -4.53 114.28 112.70 1sie n THR 67 Ca 0.51 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.18 1sie n THR 67 Cb 0.39 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 1sie n THR 67 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sie n GLU 68 N -3.49 0.81 0.05 -0.78 0.00 -1.19 -3.81 120.64 112.22 1sie n GLU 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 1sie n GLU 68 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.08 1sie n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sie n GLY 69 N 1.84 -1.35 1.59 -1.84 0.00 -0.45 -4.90 105.19 100.08 1sie n GLY 69 Ca -0.33 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1sie n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 70 N 1.35 -0.22 1.24 -0.02 0.00 -1.02 -2.45 105.19 104.07 1sie n GLY 70 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1sie n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 71 N -1.57 -0.16 0.00 1.61 1.13 -1.26 -4.70 117.38 112.43 1sie n GLN 71 Ca 0.00 0.12 0.11 0.00 -1.94 0.00 0.00 57.00 55.29 1sie n GLN 71 Cb 0.22 -0.17 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 1sie n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1sie n TYR 72 N -0.03 0.00 -1.38 1.08 4.01 -1.03 -4.98 117.16 114.83 1sie n TYR 72 Ca -0.01 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.18 1sie n TYR 72 Cb 0.06 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 38.96 1sie n TYR 72 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1sie n TYR 73 N -1.09 1.44 -0.12 -0.72 9.36 -1.26 0.11 117.16 124.88 1sie n TYR 73 Ca 0.06 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.79 1sie n TYR 73 Cb 0.37 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 1sie n TYR 73 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sie n GLY 74 N 6.77 1.10 3.56 2.98 0.00 -1.26 -5.08 105.19 113.26 1sie n GLY 74 Ca 0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 1sie n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sie s TRP 75 N -2.04 -0.55 0.54 1.61 0.51 0.30 -3.73 118.94 115.57 1sie s TRP 75 Ca 0.00 1.05 -0.20 0.00 -2.12 0.00 0.00 56.10 54.82 1sie s TRP 75 Cb 0.00 0.40 -0.05 0.00 -0.81 0.00 0.00 33.47 33.01 1sie s TRP 75 CO 0.00 -0.45 1.19 -1.12 -0.51 0.00 0.00 176.95 176.06 1sie s SER 76 N -0.84 5.60 0.00 2.95 0.01 0.63 -1.93 113.70 120.12 1sie s SER 76 Ca -0.05 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1sie s SER 76 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1sie s SER 76 CO 0.04 -1.31 0.00 -1.14 0.41 0.00 0.00 173.24 171.25 1sie n ARG 77 N -1.16 0.00 0.00 12.44 3.00 0.44 -4.43 116.66 126.95 1sie n ARG 77 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1sie n ARG 77 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 1sie n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sie n GLY 78 N 2.33 1.03 2.76 5.14 0.00 -1.26 -4.18 105.19 111.01 1sie n GLY 78 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1sie n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sie s ILE 79 N 1.39 -0.53 -0.78 -0.61 -1.09 -1.26 -3.79 121.20 114.53 1sie s ILE 79 Ca 0.00 -1.17 -0.24 0.00 -2.23 0.00 0.00 60.65 57.01 1sie s ILE 79 Cb 0.00 -0.45 -0.16 0.00 -1.58 0.00 0.00 42.46 40.27 1sie s ILE 79 CO 0.00 -0.43 2.39 -3.20 -1.23 0.00 0.00 174.94 172.47 1sie n ASN 80 N 3.54 1.35 -4.76 3.58 4.05 -1.26 -4.90 115.26 116.86 1sie n ASN 80 Ca 0.17 -1.13 -0.39 0.00 0.45 0.00 0.00 54.58 53.68 1sie n ASN 80 Cb 0.51 -1.46 -0.06 0.00 1.23 0.00 0.00 39.78 40.01 1sie n ASN 80 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1sie s LEU 81 N 12.01 4.57 0.72 1.20 2.96 -1.26 -4.72 118.68 134.16 1sie s LEU 81 Ca 1.01 1.99 -0.09 0.00 -0.22 0.00 0.00 54.13 56.82 1sie s LEU 81 Cb -0.29 -3.69 0.05 0.00 0.50 0.00 0.00 46.19 42.75 1sie s LEU 81 CO 0.20 0.05 1.07 0.00 -1.32 0.00 0.00 176.35 176.35 1sie s ALA 82 N -1.26 2.96 0.00 5.97 0.00 -1.26 -4.81 121.76 123.37 1sie s ALA 82 Ca 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1sie s ALA 82 Cb -0.26 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1sie s ALA 82 CO 0.32 -1.29 0.60 2.41 0.00 0.00 0.00 175.76 177.80 1sie n THR 83 N -3.01 0.00 0.00 0.00 -1.04 -0.15 -4.98 114.28 105.11 1sie n THR 83 Ca 0.07 1.07 0.00 0.00 -2.04 0.00 0.00 64.05 63.15 1sie n THR 83 Cb 0.59 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1sie n THR 83 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sie n SER 84 N -1.69 0.00 0.00 8.00 2.88 -0.73 -4.95 113.62 117.13 1sie n SER 84 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sie n SER 84 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sie n SER 84 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sie n ASP 85 N 0.00 0.00 0.29 -3.46 2.03 -1.26 0.31 116.55 114.45 1sie n ASP 85 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1sie n ASP 85 Cb 0.00 0.00 0.81 0.00 -0.72 0.00 0.00 41.12 41.21 1sie n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sie h THR 86 N 0.00 0.14 -3.36 5.18 1.03 -1.98 -3.40 112.91 110.53 1sie h THR 86 Ca 0.00 -0.44 -0.59 0.00 -0.01 0.00 0.00 66.41 65.37 1sie h THR 86 Cb 0.00 1.38 -0.37 0.00 -1.07 0.00 0.00 68.15 68.09 1sie h THR 86 CO 0.00 0.04 -0.80 -0.70 -0.01 0.00 0.00 175.52 174.04 1sie s GLU 87 N -3.87 1.81 -0.34 0.00 2.12 0.15 -5.04 118.70 113.53 1sie s GLU 87 Ca -0.01 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.64 1sie s GLU 87 Cb 0.11 -2.21 0.11 0.00 0.26 0.00 0.00 34.13 32.39 1sie s GLU 87 CO 0.53 -0.41 0.13 0.34 -0.54 0.00 0.00 175.26 175.31 1sie s ASP 88 N 1.50 3.88 -0.14 -1.70 2.15 -1.26 -0.98 116.67 120.12 1sie s ASP 88 Ca 0.00 -1.85 -0.09 0.00 0.43 0.00 0.00 52.55 51.04 1sie s ASP 88 Cb -0.15 -0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 41.57 1sie s ASP 88 CO -0.08 -0.38 0.16 -0.55 -0.17 0.00 0.00 175.17 174.15 1sie s SER 89 N 1.36 6.37 -0.12 -0.34 0.15 -1.26 -1.08 113.70 118.78 1sie s SER 89 Ca 0.12 0.43 -0.05 0.00 0.70 0.00 0.00 55.95 57.15 1sie s SER 89 Cb -0.19 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1sie s SER 89 CO -0.19 0.33 -0.10 -0.65 1.20 0.00 0.00 173.24 173.83 1sie h PRO 90 N 5.50 0.00 -3.35 5.44 0.11 -1.85 -3.38 132.00 134.47 1sie h PRO 90 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sie h PRO 90 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sie h PRO 90 CO 0.64 0.00 -0.19 0.41 -0.21 0.00 0.00 178.00 178.64 1sie n GLY 91 N 1.70 -3.14 0.23 -0.55 0.00 -1.26 -4.44 105.19 97.72 1sie n GLY 91 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1sie n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sie n ASN 92 N 0.16 -0.52 0.00 1.61 4.13 -1.26 0.98 115.26 120.36 1sie n ASN 92 Ca -0.02 1.00 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1sie n ASN 92 Cb 0.03 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1sie n ASN 92 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1sie n ASN 93 N -4.75 0.00 -0.42 6.41 6.94 -1.26 0.24 115.26 122.42 1sie n ASN 93 Ca 0.03 0.00 0.07 0.00 -0.02 0.00 0.00 54.58 54.66 1sie n ASN 93 Cb 0.17 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.62 1sie n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1sie n THR 94 N -0.79 0.00 -4.25 5.53 -1.04 0.27 -0.42 114.28 113.58 1sie n THR 94 Ca 0.00 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 1sie n THR 94 Cb 0.00 1.22 -0.15 0.00 -1.82 0.00 0.00 70.33 69.58 1sie n THR 94 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sie s LEU 95 N -1.59 2.62 0.25 -4.42 1.43 0.14 -4.75 118.68 112.36 1sie s LEU 95 Ca 0.14 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1sie s LEU 95 Cb 0.11 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1sie s LEU 95 CO 0.27 0.04 1.30 -2.84 0.23 0.00 0.00 176.35 175.36 1sie s PRO 96 N 1.08 4.40 0.04 1.29 0.02 -1.26 -2.76 135.00 137.81 1sie s PRO 96 Ca 0.00 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.17 1sie s PRO 96 Cb -0.15 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1sie s PRO 96 CO -0.03 -0.20 -0.16 0.99 -0.33 0.00 0.00 177.00 177.27 1sie s THR 97 N -0.39 1.28 -0.10 0.99 2.01 -1.22 0.13 115.64 118.34 1sie s THR 97 Ca 0.53 -1.08 -0.36 0.00 0.31 0.00 0.00 61.69 61.09 1sie s THR 97 Cb -0.37 -1.15 -0.13 0.00 0.01 0.00 0.00 72.50 70.85 1sie s THR 97 CO 0.43 0.05 1.77 0.79 -0.69 0.00 0.00 174.62 176.97 1sie n TRP 98 N 1.83 2.19 -4.18 4.92 7.02 0.23 -4.50 117.44 124.96 1sie n TRP 98 Ca -0.18 0.22 -0.35 0.00 -1.02 0.00 0.00 57.50 56.18 1sie n TRP 98 Cb 0.54 -2.57 -0.10 0.00 -2.42 0.00 0.00 31.31 26.77 1sie n TRP 98 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1sie s SER 99 N 3.32 5.43 0.24 -0.99 0.01 -1.11 -1.50 113.70 119.09 1sie s SER 99 Ca 0.92 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 58.22 1sie s SER 99 Cb -0.82 -1.78 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1sie s SER 99 CO 0.54 0.26 0.44 1.15 0.41 0.00 0.00 173.24 176.04 1sie n MET 100 N 2.92 0.63 -3.61 12.44 0.00 -1.26 -1.29 117.12 126.96 1sie n MET 100 Ca -0.18 -1.44 -0.00 0.00 0.00 0.00 0.00 57.70 56.08 1sie n MET 100 Cb 0.53 1.69 -0.01 0.00 0.00 0.00 0.00 33.22 35.43 1sie n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sie s ALA 101 N -1.81 -2.23 -0.09 3.17 0.00 -1.07 -4.91 121.76 114.81 1sie s ALA 101 Ca 0.12 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1sie s ALA 101 Cb -0.02 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1sie s ALA 101 CO 0.09 -0.87 -0.12 0.21 0.00 0.00 0.00 175.76 175.07 1sie s LYS 102 N -2.31 1.79 0.06 0.00 2.20 -1.26 -2.61 119.74 117.61 1sie s LYS 102 Ca 0.13 -0.41 -0.24 0.00 -0.36 0.00 0.00 55.97 55.08 1sie s LYS 102 Cb 0.03 -1.57 -0.06 0.00 -1.51 0.00 0.00 37.83 34.72 1sie s LYS 102 CO -0.04 -0.07 0.74 -0.51 -0.36 0.00 0.00 175.35 175.11 1sie s LEU 103 N 1.01 4.47 -0.73 5.43 2.01 0.92 -4.86 118.68 126.93 1sie s LEU 103 Ca -0.08 1.44 -0.11 0.00 0.01 0.00 0.00 54.13 55.40 1sie s LEU 103 Cb -0.15 -3.19 0.19 0.00 0.01 0.00 0.00 46.19 43.05 1sie s LEU 103 CO -0.01 0.07 0.64 -1.58 1.01 0.00 0.00 176.35 176.48 1sie s GLN 104 N -0.31 3.22 0.69 1.70 2.00 -1.26 -1.68 119.66 124.01 1sie s GLN 104 Ca 0.37 -2.40 -0.12 0.00 -2.00 0.00 0.00 55.36 51.21 1sie s GLN 104 Cb -0.21 -4.20 0.01 0.00 0.80 0.00 0.00 33.01 29.41 1sie s GLN 104 CO 0.23 -1.26 1.07 -0.51 -0.50 0.00 0.00 175.29 174.32 1sie s LEU 105 N 0.26 3.20 0.49 3.68 1.02 -0.64 -5.00 118.68 121.70 1sie s LEU 105 Ca 0.16 1.70 -0.18 0.00 0.02 0.00 0.00 54.13 55.83 1sie s LEU 105 Cb -0.15 -4.51 -0.09 0.00 0.02 0.00 0.00 46.19 41.46 1sie s LEU 105 CO -0.06 -1.49 0.98 -2.16 0.02 0.00 0.00 176.35 173.64 1sie s PRO 106 N -4.79 4.00 0.82 1.29 0.04 -1.26 -4.81 135.00 130.30 1sie s PRO 106 Ca 0.60 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1sie s PRO 106 Cb -0.15 -2.14 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1sie s PRO 106 CO 0.51 -0.23 1.15 1.41 0.04 0.00 0.00 177.00 179.88 1sie s MET 107 N -3.78 1.87 0.00 4.56 1.75 -1.26 -4.98 119.30 117.45 1sie s MET 107 Ca 0.60 0.25 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 1sie s MET 107 Cb -0.10 -1.93 0.00 0.00 2.84 0.00 0.00 34.83 35.64 1sie s MET 107 CO 0.26 -1.69 0.00 1.47 -0.65 0.00 0.00 175.02 174.41 1sie n LEU 108 N -3.41 0.00 -4.75 4.11 -0.00 -1.26 -5.11 117.00 106.58 1sie n LEU 108 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.73 1sie n LEU 108 Cb 0.60 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.06 1sie n LEU 108 CO 0.57 0.00 0.82 0.21 -0.00 0.00 0.00 177.39 178.99 1sie s ASN 109 N -1.53 5.04 -0.50 1.45 3.04 -1.26 -4.99 114.94 116.19 1sie s ASN 109 Ca 0.00 2.32 0.03 0.00 0.04 0.00 0.00 52.86 55.26 1sie s ASN 109 Cb 0.00 -2.59 0.16 0.00 -1.54 0.00 0.00 41.25 37.28 1sie s ASN 109 CO 0.00 -1.69 0.35 -1.61 -3.04 0.00 0.00 177.10 171.10 1sie s GLU 110 N -3.53 1.48 0.00 0.43 0.41 -1.26 -5.04 118.70 111.19 1sie s GLU 110 Ca 0.75 -2.41 0.00 0.00 -0.41 0.00 0.00 54.97 52.90 1sie s GLU 110 Cb -0.28 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1sie s GLU 110 CO 0.36 -1.28 0.00 -0.25 -0.49 0.00 0.00 175.26 173.60 1sie n ASP 111 N 2.87 0.00 -4.04 -0.19 9.92 -1.26 -4.78 116.55 119.07 1sie n ASP 111 Ca 0.19 0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 54.00 1sie n ASP 111 Cb 0.39 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.89 1sie n ASP 111 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1sie n LEU 112 N 0.00 -0.47 0.08 0.64 4.77 -1.26 -4.48 117.00 116.29 1sie n LEU 112 Ca 0.00 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1sie n LEU 112 Cb 0.00 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 1sie n LEU 112 CO 0.00 0.78 0.28 0.35 -1.33 0.00 0.00 177.39 177.47 1sie n THR 113 N -4.94 0.00 0.63 -5.08 -2.24 -1.26 -1.89 114.28 99.51 1sie n THR 113 Ca -0.11 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1sie n THR 113 Cb 0.57 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1sie n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sie n ASP 115 N 0.73 -2.50 -4.43 0.00 8.00 -1.12 -4.76 116.55 112.47 1sie n ASP 115 Ca 0.00 0.25 -0.44 0.00 0.71 0.00 0.00 54.79 55.31 1sie n ASP 115 Cb 0.39 -2.34 -0.03 0.00 -0.02 0.00 0.00 41.12 39.12 1sie n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sie s THR 116 N -2.04 4.69 0.43 -3.53 -1.32 -0.79 -0.55 115.64 112.53 1sie s THR 116 Ca 0.00 -1.25 -0.01 0.00 -1.21 0.00 0.00 61.69 59.22 1sie s THR 116 Cb 0.00 -4.70 -0.02 0.00 -1.51 0.00 0.00 72.50 66.27 1sie s THR 116 CO 0.00 -1.41 0.66 -0.22 -2.21 0.00 0.00 174.62 171.44 1sie s LEU 117 N 2.87 3.74 -0.05 9.08 1.98 -0.71 -4.53 118.68 131.06 1sie s LEU 117 Ca 0.26 0.48 -0.01 0.00 -2.89 0.00 0.00 54.13 51.97 1sie s LEU 117 Cb -0.11 -3.36 0.03 0.00 0.66 0.00 0.00 46.19 43.41 1sie s LEU 117 CO -0.02 -0.57 0.03 -1.58 -1.89 0.00 0.00 176.35 172.32 1sie s GLN 118 N -4.53 0.25 0.31 1.98 0.74 -1.26 0.22 119.66 117.36 1sie s GLN 118 Ca 0.46 0.23 0.03 0.00 0.05 0.00 0.00 55.36 56.12 1sie s GLN 118 Cb -0.10 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 1sie s GLN 118 CO 0.39 -0.29 0.16 0.00 -0.55 0.00 0.00 175.29 175.00 1sie s MET 119 N 1.91 1.61 0.27 1.67 0.23 0.24 -4.15 119.30 121.07 1sie s MET 119 Ca 0.03 -1.92 -0.30 0.00 -1.03 0.00 0.00 55.69 52.47 1sie s MET 119 Cb -0.12 -0.12 -0.09 0.00 -1.53 0.00 0.00 34.83 32.97 1sie s MET 119 CO -0.04 -0.45 1.08 -1.58 -2.03 0.00 0.00 175.02 171.99 1sie s TRP 120 N -3.58 3.64 -0.10 3.16 0.52 -1.26 -1.13 118.94 120.18 1sie s TRP 120 Ca 0.35 1.73 -0.01 0.00 0.02 0.00 0.00 56.10 58.20 1sie s TRP 120 Cb 0.05 -3.24 0.03 0.00 -1.15 0.00 0.00 33.47 29.16 1sie s TRP 120 CO 0.18 -0.40 -0.05 -2.00 0.02 0.00 0.00 176.95 174.70 1sie s GLU 121 N -1.38 1.23 0.00 4.98 -6.30 0.18 -0.60 118.70 116.80 1sie s GLU 121 Ca 0.44 -0.16 -0.26 0.00 -2.50 0.00 0.00 54.97 52.49 1sie s GLU 121 Cb -0.31 -1.43 -0.04 0.00 0.00 0.00 0.00 34.13 32.35 1sie s GLU 121 CO 0.40 -0.29 0.83 0.00 0.02 0.00 0.00 175.26 176.21 1sie s ALA 122 N 1.79 3.28 -0.01 6.30 0.00 0.65 -0.39 121.76 133.38 1sie s ALA 122 Ca 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1sie s ALA 122 Cb -0.13 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1sie s ALA 122 CO -0.07 -0.09 -0.08 0.28 0.00 0.00 0.00 175.76 175.80 1sie n VAL 123 N 3.45 0.89 -4.35 0.00 0.31 0.23 -2.81 118.33 116.05 1sie n VAL 123 Ca 0.01 0.16 -0.18 0.00 -0.01 0.00 0.00 64.34 64.32 1sie n VAL 123 Cb 0.51 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 1sie n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sie s SER 124 N -5.81 1.53 -0.28 4.52 1.04 -1.18 0.20 113.70 113.71 1sie s SER 124 Ca -0.08 -1.41 -0.19 0.00 0.48 0.00 0.00 55.95 54.75 1sie s SER 124 Cb 0.02 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.39 1sie s SER 124 CO 0.11 -0.73 0.85 0.54 0.98 0.00 0.00 173.24 174.99 1sie s VAL 125 N -3.63 0.00 0.05 5.02 0.11 0.12 -2.02 120.40 120.05 1sie s VAL 125 Ca 0.37 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1sie s VAL 125 Cb 0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1sie s VAL 125 CO 0.14 0.00 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.34 1sie s LYS 126 N 1.03 2.53 0.14 1.54 1.02 -0.35 -1.02 119.74 124.63 1sie s LYS 126 Ca -0.05 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 1sie s LYS 126 Cb -0.05 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1sie s LYS 126 CO -0.12 0.57 0.12 -0.08 -0.92 0.00 0.00 175.35 174.92 1sie s THR 127 N -1.15 0.09 -0.28 2.17 -1.32 -1.26 0.49 115.64 114.38 1sie s THR 127 Ca 0.21 -1.79 -0.20 0.00 -1.21 0.00 0.00 61.69 58.70 1sie s THR 127 Cb -0.11 -2.03 0.11 0.00 -1.51 0.00 0.00 72.50 68.96 1sie s THR 127 CO 0.13 -0.39 0.87 -0.70 -2.21 0.00 0.00 174.62 172.32 1sie s GLU 128 N -4.04 0.58 -0.15 7.08 2.12 -1.14 -4.93 118.70 118.22 1sie s GLU 128 Ca 0.23 0.85 -0.16 0.00 0.36 0.00 0.00 54.97 56.25 1sie s GLU 128 Cb 0.06 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 1sie s GLU 128 CO 0.02 -0.10 0.40 0.08 -0.54 0.00 0.00 175.26 175.13 1sie s VAL 129 N 0.95 5.23 0.23 3.70 1.01 -1.26 -0.90 120.40 129.35 1sie s VAL 129 Ca -0.04 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1sie s VAL 129 Cb -0.05 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1sie s VAL 129 CO -0.11 0.33 0.15 0.68 0.00 0.00 0.00 175.10 176.15 1sie s VAL 130 N 0.73 4.32 0.00 2.92 -7.23 -0.96 -4.60 120.40 115.58 1sie s VAL 130 Ca 0.22 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1sie s VAL 130 Cb -0.14 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1sie s VAL 130 CO 0.08 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1sie n GLY 131 N -0.92 0.77 0.31 2.32 0.00 -1.26 -4.26 105.19 102.16 1sie n GLY 131 Ca -0.08 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.84 1sie n GLY 131 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sie h SER 132 N 0.00 0.00 0.41 1.61 0.02 -1.99 0.50 113.55 114.09 1sie h SER 132 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1sie h SER 132 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1sie h SER 132 CO 0.00 0.00 -0.32 1.23 -1.14 0.00 0.00 176.83 176.60 1sie h GLY 133 N 0.00 0.00 0.07 -3.77 0.00 -1.97 -2.94 103.07 94.46 1sie h GLY 133 Ca 0.01 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.60 1sie h GLY 133 CO -0.00 0.00 0.67 0.23 0.00 0.00 0.00 176.54 177.44 1sie h SER 134 N 0.00 0.24 0.00 0.19 0.87 -0.39 0.14 113.55 114.60 1sie h SER 134 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1sie h SER 134 Cb 0.61 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1sie h SER 134 CO 0.04 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 1sie n LEU 135 N -4.42 0.00 -0.25 2.23 7.99 -1.11 -2.14 117.00 119.29 1sie n LEU 135 Ca 0.21 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.35 1sie n LEU 135 Cb 0.90 0.00 0.51 0.00 -0.11 0.00 0.00 43.42 44.72 1sie n LEU 135 CO 0.33 0.00 0.79 0.18 -1.51 0.00 0.00 177.39 177.18 1sie n LEU 136 N -0.58 0.93 -4.66 2.23 4.77 0.50 -4.72 117.00 115.45 1sie n LEU 136 Ca 0.03 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1sie n LEU 136 Cb 0.01 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1sie n LEU 136 CO 0.02 0.17 0.97 -0.62 -1.33 0.00 0.00 177.39 176.59 1sie s ASP 137 N -2.34 7.06 0.00 -1.43 -1.08 -0.91 -4.82 116.67 113.14 1sie s ASP 137 Ca 0.30 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 53.87 1sie s ASP 137 Cb 0.20 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1sie s ASP 137 CO 0.45 -0.67 0.64 1.33 0.52 0.00 0.00 175.17 177.44 1sie n VAL 138 N 5.20 0.40 0.00 1.11 0.24 -1.26 -4.76 118.33 119.26 1sie n VAL 138 Ca 0.12 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1sie n VAL 138 Cb 0.46 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1sie n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sie n HIS 139 N -0.20 0.00 -0.50 6.34 -0.00 -1.26 0.11 115.22 119.70 1sie n HIS 139 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1sie n HIS 139 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.17 1sie n HIS 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sie n GLY 140 N 5.00 -2.14 2.90 -1.39 0.00 -1.26 -4.02 105.19 104.28 1sie n GLY 140 Ca 0.00 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1sie n GLY 140 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sie n PHE 141 N -3.06 2.47 -3.80 1.61 7.35 -1.26 -4.60 117.46 116.16 1sie n PHE 141 Ca -0.01 -2.85 -0.22 0.00 -0.76 0.00 0.00 57.45 53.62 1sie n PHE 141 Cb 0.23 -1.13 -0.04 0.00 0.35 0.00 0.00 39.48 38.90 1sie n PHE 141 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1sie s ASN 142 N -1.94 5.08 0.76 -2.13 -0.87 -1.26 -2.09 114.94 112.49 1sie s ASN 142 Ca 0.33 -0.64 -0.15 0.00 -1.57 0.00 0.00 52.86 50.82 1sie s ASN 142 Cb 0.07 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.25 40.50 1sie s ASN 142 CO 0.09 -0.44 0.66 1.17 -2.57 0.00 0.00 177.10 176.01 1sie n LYS 143 N -1.38 0.25 -4.40 -0.60 4.81 -0.53 -3.75 118.16 112.56 1sie n LYS 143 Ca -0.00 0.13 -0.31 0.00 -0.87 0.00 0.00 58.31 57.26 1sie n LYS 143 Cb 0.61 -1.97 -0.04 0.00 0.02 0.00 0.00 35.03 33.65 1sie n LYS 143 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1sie s PRO 144 N -3.12 2.23 0.00 1.64 0.05 -1.26 -1.18 135.00 133.35 1sie s PRO 144 Ca 0.67 -2.28 0.00 0.00 0.05 0.00 0.00 61.00 59.44 1sie s PRO 144 Cb -0.32 -1.76 0.00 0.00 0.05 0.00 0.00 34.50 32.46 1sie s PRO 144 CO 0.57 -0.52 0.84 2.41 0.05 0.00 0.00 177.00 180.35 1sie n THR 145 N -1.52 0.00 -3.46 1.26 -1.04 0.30 -4.33 114.28 105.48 1sie n THR 145 Ca -0.13 1.34 -0.36 0.00 -2.04 0.00 0.00 64.05 62.86 1sie n THR 145 Cb 0.66 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 67.19 1sie n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sie s ASP 146 N -2.83 6.79 -0.17 8.00 2.15 0.76 -4.97 116.67 126.39 1sie s ASP 146 Ca 0.00 0.97 -0.07 0.00 0.43 0.00 0.00 52.55 53.89 1sie s ASP 146 Cb 0.00 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 40.29 1sie s ASP 146 CO 0.00 0.22 -0.21 0.35 -0.17 0.00 0.00 175.17 175.36 1sie n THR 147 N 1.27 0.96 0.00 1.71 -2.24 -1.26 -0.51 114.28 114.21 1sie n THR 147 Ca -0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1sie n THR 147 Cb 0.52 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1sie n THR 147 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1sie n VAL 148 N -3.60 0.00 1.53 2.28 0.31 -1.26 0.69 118.33 118.27 1sie n VAL 148 Ca -0.33 1.02 0.11 0.00 -0.01 0.00 0.00 64.34 65.13 1sie n VAL 148 Cb 0.76 -1.39 0.49 0.00 -0.91 0.00 0.00 33.84 32.80 1sie n VAL 148 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1sie n ASN 149 N -2.32 1.10 -2.89 4.52 3.02 -1.26 -4.89 115.26 112.55 1sie n ASN 149 Ca 0.00 -1.54 -0.12 0.00 -0.03 0.00 0.00 54.58 52.89 1sie n ASN 149 Cb 0.00 -0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1sie n ASN 149 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sie n THR 150 N -0.08 -7.45 -4.61 3.41 -1.04 0.22 -5.02 114.28 99.71 1sie n THR 150 Ca 0.17 -1.06 -0.28 0.00 -2.04 0.00 0.00 64.05 60.83 1sie n THR 150 Cb 0.25 -5.78 -0.08 0.00 -1.82 0.00 0.00 70.33 62.90 1sie n THR 150 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1sie s LYS 151 N -4.12 2.02 0.18 -2.82 2.47 0.33 -4.95 119.74 112.84 1sie s LYS 151 Ca 0.36 -2.25 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 1sie s LYS 151 Cb -0.05 -1.02 0.00 0.00 -1.46 0.00 0.00 37.83 35.31 1sie s LYS 151 CO 0.59 -0.40 0.00 0.41 0.16 0.00 0.00 175.35 176.10 1sie n GLY 152 N -1.04 0.93 3.00 5.54 0.00 -1.26 -0.17 105.19 112.20 1sie n GLY 152 Ca -0.11 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1sie n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sie s ILE 153 N 0.00 0.33 -0.96 -0.61 -1.09 -1.26 -4.88 121.20 112.73 1sie s ILE 153 Ca 0.00 -0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 57.43 1sie s ILE 153 Cb 0.00 -0.39 0.06 0.00 -1.58 0.00 0.00 42.46 40.55 1sie s ILE 153 CO 0.00 -0.29 1.37 -0.44 -1.23 0.00 0.00 174.94 174.35 1sie s SER 154 N -1.12 6.45 -0.02 3.58 0.01 0.29 0.11 113.70 123.00 1sie s SER 154 Ca -0.09 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.81 1sie s SER 154 Cb -0.08 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1sie s SER 154 CO -0.00 -1.51 0.06 0.41 0.41 0.00 0.00 173.24 172.61 1sie n THR 155 N 6.63 0.00 -0.34 1.44 -1.04 -0.33 -4.54 114.28 116.09 1sie n THR 155 Ca 0.26 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.25 1sie n THR 155 Cb 0.50 -0.02 0.02 0.00 -1.82 0.00 0.00 70.33 69.01 1sie n THR 155 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sie n PRO 156 N 0.16 -1.55 -2.42 -2.82 -0.04 -1.26 -4.66 135.00 122.40 1sie n PRO 156 Ca 0.01 -0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 1sie n PRO 156 Cb -0.00 -0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 1sie n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sie s VAL 157 N -1.12 3.46 0.27 0.52 1.01 -1.26 -4.67 120.40 118.60 1sie s VAL 157 Ca 0.05 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 1sie s VAL 157 Cb -0.01 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1sie s VAL 157 CO 0.04 0.00 0.63 -0.62 0.00 0.00 0.00 175.10 175.16 1sie n GLU 158 N -0.21 0.78 0.00 2.72 1.02 -0.90 -4.72 120.64 119.32 1sie n GLU 158 Ca 0.06 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 1sie n GLU 158 Cb 0.49 1.98 0.00 0.00 -0.02 0.00 0.00 31.44 33.88 1sie n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sie n GLY 159 N -0.43 -2.07 3.60 0.62 0.00 -0.62 0.54 105.19 106.83 1sie n GLY 159 Ca -0.06 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 1sie n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sie n SER 160 N 0.00 0.19 -4.07 1.61 7.64 0.14 -4.51 113.62 114.62 1sie n SER 160 Ca 0.00 0.60 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 1sie n SER 160 Cb 0.00 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 61.71 1sie n SER 160 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1sie s GLN 161 N -3.55 0.63 -0.28 1.43 -0.21 0.24 -3.26 119.66 114.65 1sie s GLN 161 Ca 0.71 -1.20 -0.21 0.00 0.02 0.00 0.00 55.36 54.67 1sie s GLN 161 Cb -0.31 0.22 0.09 0.00 1.00 0.00 0.00 33.01 34.00 1sie s GLN 161 CO 0.53 -0.12 0.77 -0.47 -2.12 0.00 0.00 175.29 173.87 1sie s TYR 162 N -3.92 -0.83 -0.14 0.91 6.14 -0.35 -0.51 117.35 118.66 1sie s TYR 162 Ca 0.07 1.85 -0.11 0.00 0.64 0.00 0.00 57.07 59.51 1sie s TYR 162 Cb 0.08 0.41 0.04 0.00 0.42 0.00 0.00 41.96 42.91 1sie s TYR 162 CO -0.10 -0.41 0.36 -1.01 0.64 0.00 0.00 175.55 175.04 1sie s HIS 163 N 0.86 -0.43 0.18 4.97 3.76 -1.17 0.63 115.29 124.10 1sie s HIS 163 Ca -0.04 1.01 -0.23 0.00 -0.15 0.00 0.00 55.06 55.65 1sie s HIS 163 Cb -0.05 0.15 0.06 0.00 1.11 0.00 0.00 32.58 33.85 1sie s HIS 163 CO -0.08 -0.22 0.73 0.08 -0.85 0.00 0.00 174.74 174.40 1sie s VAL 164 N 0.46 0.00 0.03 -0.90 1.01 -0.95 -0.28 120.40 119.76 1sie s VAL 164 Ca -0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1sie s VAL 164 Cb -0.04 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.93 1sie s VAL 164 CO -0.02 0.00 1.23 0.72 0.00 0.00 0.00 175.10 177.03 1sie s PHE 165 N -3.66 0.02 0.29 5.22 -0.71 0.13 -0.65 117.98 118.62 1sie s PHE 165 Ca 0.07 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.56 1sie s PHE 165 Cb -0.03 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1sie s PHE 165 CO -0.03 -0.41 0.77 0.00 -1.34 0.00 0.00 175.22 174.21 1sie s ALA 166 N -2.15 -1.17 -0.16 1.99 0.00 0.17 0.11 121.76 120.55 1sie s ALA 166 Ca 0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1sie s ALA 166 Cb 0.00 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.97 1sie s ALA 166 CO -0.00 -1.03 0.36 0.08 0.00 0.00 0.00 175.76 175.17 1sie s VAL 167 N -3.48 -0.19 0.32 0.00 1.01 0.91 -1.86 120.40 117.12 1sie s VAL 167 Ca 0.12 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1sie s VAL 167 Cb -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1sie s VAL 167 CO 0.07 0.06 0.63 -0.83 0.00 0.00 0.00 175.10 175.03 1sie s GLY 168 N 1.71 0.57 0.17 4.51 0.00 -0.37 -0.13 107.32 113.77 1sie s GLY 168 Ca -0.07 -0.86 0.24 0.00 0.00 0.00 0.00 44.72 44.03 1sie s GLY 168 CO -0.11 -0.50 1.37 -1.33 0.00 0.00 0.00 173.10 172.53 1sie h GLY 169 N 2.09 0.00 -1.66 0.20 0.00 -1.51 0.49 103.07 102.69 1sie h GLY 169 Ca -0.27 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.56 1sie h GLY 169 CO 0.35 0.00 -0.51 -1.83 0.00 0.00 0.00 176.54 174.56 1sie s GLU 170 N -3.19 1.81 1.09 4.80 -1.05 -1.26 -0.05 118.70 120.85 1sie s GLU 170 Ca 0.06 -2.08 -0.18 0.00 -0.15 0.00 0.00 54.97 52.63 1sie s GLU 170 Cb 0.12 -0.10 0.24 0.00 -0.44 0.00 0.00 34.13 33.95 1sie s GLU 170 CO 0.71 -0.56 1.20 -1.25 0.95 0.00 0.00 175.26 176.30 1sie s PRO 171 N -3.60 -0.36 -0.25 -4.83 0.04 -1.26 -4.69 135.00 120.05 1sie s PRO 171 Ca 0.33 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.89 1sie s PRO 171 Cb 0.03 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1sie s PRO 171 CO 0.21 -3.12 1.30 -1.17 0.04 0.00 0.00 177.00 174.26 1sie s LEU 172 N -6.48 3.99 -0.27 -3.56 0.20 -1.26 -4.84 118.68 106.47 1sie s LEU 172 Ca 0.72 1.41 -0.26 0.00 0.69 0.00 0.00 54.13 56.69 1sie s LEU 172 Cb -0.08 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.15 1sie s LEU 172 CO 0.55 -0.97 0.89 -1.81 -0.29 0.00 0.00 176.35 174.72 1sie s ASP 173 N 2.55 6.84 0.23 3.68 1.11 -1.26 -1.69 116.67 128.13 1sie s ASP 173 Ca 0.56 0.98 0.06 0.00 0.18 0.00 0.00 52.55 54.34 1sie s ASP 173 Cb -0.19 -2.46 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 1sie s ASP 173 CO 0.20 -0.62 -0.09 -1.48 1.18 0.00 0.00 175.17 174.35 1sie s LEU 174 N 3.05 2.48 -0.00 1.23 0.05 -1.16 -0.98 118.68 123.35 1sie s LEU 174 Ca 0.37 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 53.45 1sie s LEU 174 Cb -0.14 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.42 1sie s LEU 174 CO 0.10 -0.29 -0.00 -1.58 -0.55 0.00 0.00 176.35 174.03 1sie s GLN 175 N -3.71 0.07 0.41 1.48 0.74 0.81 -1.39 119.66 118.08 1sie s GLN 175 Ca 0.25 -0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1sie s GLN 175 Cb 0.02 -0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.00 1sie s GLN 175 CO 0.08 -0.01 0.37 0.20 -0.55 0.00 0.00 175.29 175.39 1sie s GLY 176 N 0.13 2.08 -0.21 2.59 0.00 -0.05 -1.10 107.32 110.76 1sie s GLY 176 Ca -0.01 -1.85 -0.27 0.00 0.00 0.00 0.00 44.72 42.59 1sie s GLY 176 CO -0.00 -1.67 0.80 -2.27 0.00 0.00 0.00 173.10 169.96 1sie s LEU 177 N -4.12 -0.63 0.34 0.66 0.20 -0.48 -4.21 118.68 110.44 1sie s LEU 177 Ca 0.47 1.06 0.07 0.00 0.69 0.00 0.00 54.13 56.42 1sie s LEU 177 Cb -0.04 2.30 -0.07 0.00 -0.43 0.00 0.00 46.19 47.96 1sie s LEU 177 CO 0.28 -0.32 -0.03 0.54 -0.29 0.00 0.00 176.35 176.53 1sie s VAL 178 N -0.15 1.81 0.00 1.68 0.11 -0.26 -4.49 120.40 119.09 1sie s VAL 178 Ca -0.02 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 56.93 1sie s VAL 178 Cb -0.03 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1sie s VAL 178 CO 0.02 -0.15 0.32 0.41 -3.33 0.00 0.00 175.10 172.37 1sie n THR 179 N -0.75 0.00 -3.74 5.04 -1.04 -1.26 -4.27 114.28 108.26 1sie n THR 179 Ca -0.05 0.65 -0.38 0.00 -2.04 0.00 0.00 64.05 62.24 1sie n THR 179 Cb 0.65 -1.31 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 1sie n THR 179 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sie s ASP 180 N -1.82 5.23 0.00 8.00 -1.08 -1.26 -4.79 116.67 120.95 1sie s ASP 180 Ca 0.00 -0.85 0.06 0.00 -0.52 0.00 0.00 52.55 51.24 1sie s ASP 180 Cb 0.00 -1.89 0.37 0.00 -1.46 0.00 0.00 42.92 39.94 1sie s ASP 180 CO 0.00 -0.25 0.78 0.00 0.52 0.00 0.00 175.17 176.22 1sie n ALA 181 N 4.86 1.79 -0.12 3.66 0.00 -1.26 -0.52 120.51 128.93 1sie n ALA 181 Ca -0.14 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1sie n ALA 181 Cb 0.47 -1.10 0.26 0.00 0.00 0.00 0.00 19.45 19.08 1sie n ALA 181 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1sie n ARG 182 N -0.88 2.62 -2.08 0.00 1.85 -1.26 -4.39 116.66 112.51 1sie n ARG 182 Ca 0.05 -2.43 -0.41 0.00 -1.00 0.00 0.00 57.85 54.06 1sie n ARG 182 Cb 0.02 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.91 1sie n ARG 182 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sie s THR 183 N -1.14 2.78 -0.53 8.89 2.01 0.32 -4.78 115.64 123.18 1sie s THR 183 Ca 0.41 0.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.04 1sie s THR 183 Cb 0.22 -3.44 -0.14 0.00 0.01 0.00 0.00 72.50 69.15 1sie s THR 183 CO 0.30 0.12 3.24 0.29 -0.69 0.00 0.00 174.62 177.88 1sie n LYS 184 N 1.92 2.64 -1.77 4.92 4.01 -0.24 -4.94 118.16 124.71 1sie n LYS 184 Ca 0.05 -1.69 -0.39 0.00 -0.51 0.00 0.00 58.31 55.77 1sie n LYS 184 Cb 0.41 -2.25 0.04 0.00 -0.51 0.00 0.00 35.03 32.73 1sie n LYS 184 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1sie s TYR 185 N 0.59 2.28 0.35 2.13 2.02 -1.26 -4.06 117.35 119.41 1sie s TYR 185 Ca 0.65 1.35 -0.26 0.00 -0.37 0.00 0.00 57.07 58.44 1sie s TYR 185 Cb 0.29 -3.84 -0.09 0.00 -0.40 0.00 0.00 41.96 37.92 1sie s TYR 185 CO -0.06 -2.97 1.02 0.15 -1.57 0.00 0.00 175.55 172.12 1sie s LYS 186 N -2.85 4.40 0.19 -0.62 3.01 -1.26 -4.94 119.74 117.66 1sie s LYS 186 Ca 0.70 1.51 0.07 0.00 -1.01 0.00 0.00 55.97 57.25 1sie s LYS 186 Cb -0.41 -2.76 0.04 0.00 -1.01 0.00 0.00 37.83 33.69 1sie s LYS 186 CO 0.50 0.07 1.42 1.05 0.51 0.00 0.00 175.35 178.90 1sie h GLU 187 N 2.99 0.05 -6.24 1.68 4.11 -1.91 -3.43 114.58 111.84 1sie h GLU 187 Ca -0.47 -0.05 -0.69 0.00 0.07 0.00 0.00 59.36 58.22 1sie h GLU 187 Cb 1.21 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.27 1sie h GLU 187 CO 0.64 0.85 -0.72 -2.00 0.07 0.00 0.00 179.01 177.85 1sie s GLU 188 N -3.16 2.62 0.00 1.06 2.12 -1.26 -4.54 118.70 115.54 1sie s GLU 188 Ca -0.01 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1sie s GLU 188 Cb 0.11 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 32.00 1sie s GLU 188 CO 0.80 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 176.57 1sie n GLY 189 N 2.14 1.02 3.65 -1.50 0.00 -1.26 -5.05 105.19 104.19 1sie n GLY 189 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1sie n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sie s VAL 190 N -2.00 0.00 -0.37 1.61 0.11 -1.26 -4.94 120.40 113.55 1sie s VAL 190 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1sie s VAL 190 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1sie s VAL 190 CO 0.00 0.00 0.70 -0.69 -3.33 0.00 0.00 175.10 171.78 1sie s VAL 191 N 0.28 4.82 0.45 2.04 1.01 -1.10 -4.87 120.40 123.03 1sie s VAL 191 Ca 0.04 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1sie s VAL 191 Cb -0.04 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1sie s VAL 191 CO -0.14 -0.40 0.23 0.41 0.00 0.00 0.00 175.10 175.20 1sie n THR 192 N 5.71 0.00 0.24 3.92 -1.04 -1.26 -4.37 114.28 117.48 1sie n THR 192 Ca 0.00 -1.89 -0.16 0.00 -2.04 0.00 0.00 64.05 59.97 1sie n THR 192 Cb 0.48 0.06 -0.08 0.00 -1.82 0.00 0.00 70.33 68.98 1sie n THR 192 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1sie h ILE 193 N 0.82 0.39 -0.48 12.58 -0.00 -1.94 -1.92 117.51 126.97 1sie h ILE 193 Ca -0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.50 1sie h ILE 193 Cb 1.07 0.39 -0.02 0.00 -0.00 0.00 0.00 36.82 38.25 1sie h ILE 193 CO 0.50 0.00 0.11 0.07 -0.00 0.00 0.00 178.15 178.83 1sie h LYS 194 N -0.68 0.72 -0.41 0.16 -0.00 -1.71 1.04 116.57 115.69 1sie h LYS 194 Ca -0.04 -0.14 0.12 0.00 -0.00 0.00 0.00 60.65 60.59 1sie h LYS 194 Cb 0.59 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 32.69 1sie h LYS 194 CO 0.01 0.66 0.65 1.15 -0.00 0.00 0.00 179.45 181.91 1sie h THR 195 N 0.70 0.16 0.00 0.07 2.02 -1.67 -2.16 112.91 112.03 1sie h THR 195 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 1sie h THR 195 Cb 0.26 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1sie h THR 195 CO -0.00 0.00 -0.88 0.00 0.37 0.00 0.00 175.52 175.01 1sie n ILE 196 N -3.28 1.09 -2.96 3.11 0.13 0.48 -4.81 119.36 113.11 1sie n ILE 196 Ca 0.08 0.13 -0.42 0.00 -1.10 0.00 0.00 62.75 61.44 1sie n ILE 196 Cb 0.81 -1.82 -0.05 0.00 -0.84 0.00 0.00 39.64 37.74 1sie n ILE 196 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1sie s THR 197 N -2.32 4.81 0.57 9.51 -1.32 0.33 -4.86 115.64 122.36 1sie s THR 197 Ca -0.14 1.15 0.33 0.00 -1.21 0.00 0.00 61.69 61.82 1sie s THR 197 Cb 0.03 -4.13 0.48 0.00 -1.51 0.00 0.00 72.50 67.37 1sie s THR 197 CO 0.19 -0.23 1.73 0.11 -2.21 0.00 0.00 174.62 174.21 1sie h LYS 198 N 8.12 0.00 -7.55 7.08 1.79 -1.80 -3.30 116.57 120.91 1sie h LYS 198 Ca -0.25 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.75 1sie h LYS 198 Cb 1.10 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.84 1sie h LYS 198 CO 0.87 0.00 0.39 0.15 -1.08 0.00 0.00 179.45 179.79 1sie s LYS 199 N -4.74 2.24 0.84 3.15 1.02 -1.26 -4.88 119.74 116.11 1sie s LYS 199 Ca -0.04 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.01 1sie s LYS 199 Cb 0.19 -1.99 0.10 0.00 -0.52 0.00 0.00 37.83 35.61 1sie s LYS 199 CO 0.66 -1.40 1.11 -0.51 -0.92 0.00 0.00 175.35 174.29 1sie s ASP 200 N -4.51 4.11 0.87 2.83 1.01 -1.26 -4.08 116.67 115.64 1sie s ASP 200 Ca 0.61 1.16 -0.11 0.00 0.71 0.00 0.00 52.55 54.91 1sie s ASP 200 Cb -0.11 -1.82 0.12 0.00 1.01 0.00 0.00 42.92 42.11 1sie s ASP 200 CO 0.49 -2.19 1.09 -0.04 0.21 0.00 0.00 175.17 174.73 1sie s MET 201 N -5.22 1.44 0.15 8.23 -1.94 -1.26 -4.93 119.30 115.77 1sie s MET 201 Ca 0.62 0.85 -0.05 0.00 -1.71 0.00 0.00 55.69 55.40 1sie s MET 201 Cb -0.14 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 1sie s MET 201 CO 0.54 -2.12 0.18 0.08 -0.01 0.00 0.00 175.02 173.68 1sie s VAL 202 N -2.95 0.08 0.47 -6.03 1.01 -1.26 -4.93 120.40 106.79 1sie s VAL 202 Ca 0.63 -1.66 0.33 0.00 0.00 0.00 0.00 61.98 61.28 1sie s VAL 202 Cb -0.18 -1.99 0.53 0.00 0.00 0.00 0.00 36.38 34.75 1sie s VAL 202 CO 0.57 -0.34 1.66 -0.55 0.00 0.00 0.00 175.10 176.43 1sie h ASN 203 N 2.68 0.19 -0.73 3.32 7.08 -1.97 0.24 115.58 126.39 1sie h ASN 203 Ca -0.33 0.09 -0.04 0.00 -3.08 0.00 0.00 56.30 52.93 1sie h ASN 203 Cb 1.22 0.07 -0.03 0.00 -2.08 0.00 0.00 38.32 37.49 1sie h ASN 203 CO 0.53 -0.09 0.32 0.11 -2.08 0.00 0.00 177.43 176.22 1sie h LYS 204 N 0.09 1.10 0.00 4.14 1.57 -1.96 0.25 116.57 121.77 1sie h LYS 204 Ca 0.78 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.37 1sie h LYS 204 Cb 2.63 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.75 1sie h LYS 204 CO -0.27 0.88 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.98 1sie h ASP 205 N 1.08 0.00 0.34 0.86 5.19 -0.81 1.83 116.42 124.90 1sie h ASP 205 Ca 0.25 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1sie h ASP 205 Cb 0.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1sie h ASP 205 CO -0.02 0.07 -0.39 -0.61 -3.12 0.00 0.00 179.24 175.17 1sie h GLN 206 N 0.00 0.07 0.00 3.56 4.15 -0.34 -0.69 115.11 121.87 1sie h GLN 206 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1sie h GLN 206 Cb 0.37 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1sie h GLN 206 CO 0.01 0.45 0.00 1.33 -1.93 0.00 0.00 178.83 178.69 1sie n VAL 207 N -4.07 0.00 -3.38 2.39 0.24 0.21 -4.33 118.33 109.39 1sie n VAL 207 Ca -0.02 0.09 -0.19 0.00 -2.04 0.00 0.00 64.34 62.19 1sie n VAL 207 Cb 0.43 -0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 31.76 1sie n VAL 207 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1sie s LEU 208 N -3.95 0.05 -0.43 1.34 0.20 0.56 -4.87 118.68 111.59 1sie s LEU 208 Ca 0.00 -1.51 -0.22 0.00 0.69 0.00 0.00 54.13 53.09 1sie s LEU 208 Cb 0.00 0.41 0.02 0.00 -0.43 0.00 0.00 46.19 46.20 1sie s LEU 208 CO 0.00 -0.29 0.73 0.21 -0.29 0.00 0.00 176.35 176.71 1sie s ASN 209 N 1.56 6.40 0.41 3.68 2.47 -0.85 -4.74 114.94 123.86 1sie s ASN 209 Ca 0.16 -0.11 0.29 0.00 0.42 0.00 0.00 52.86 53.62 1sie s ASN 209 Cb -0.16 -2.36 1.36 0.00 -1.45 0.00 0.00 41.25 38.63 1sie s ASN 209 CO -0.09 -0.83 1.87 -0.65 -3.72 0.00 0.00 177.10 173.68 1sie h PRO 210 N 8.86 0.00 0.00 0.43 0.11 -1.91 -1.96 132.00 137.53 1sie h PRO 210 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1sie h PRO 210 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sie h PRO 210 CO 0.93 0.00 -0.12 0.82 -0.21 0.00 0.00 178.00 179.42 1sie h ILE 211 N 0.00 0.81 -0.01 4.15 5.03 -1.97 -3.41 117.51 122.11 1sie h ILE 211 Ca 0.00 -1.64 -0.46 0.00 -0.12 0.00 0.00 64.86 62.65 1sie h ILE 211 Cb 0.24 1.56 0.12 0.00 -3.03 0.00 0.00 36.82 35.70 1sie h ILE 211 CO 0.00 0.27 1.15 -1.20 -0.68 0.00 0.00 178.15 177.69 1sie n SER 212 N -4.68 0.68 -3.98 1.72 7.64 -0.74 -4.79 113.62 109.48 1sie n SER 212 Ca -0.07 -2.18 -0.18 0.00 1.01 0.00 0.00 58.87 57.46 1sie n SER 212 Cb 0.26 -0.50 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 1sie n SER 212 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sie s LYS 213 N 6.46 0.60 0.00 1.43 1.02 -1.26 -0.87 119.74 127.12 1sie s LYS 213 Ca 0.58 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1sie s LYS 213 Cb 0.11 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 1sie s LYS 213 CO 0.28 0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.83 1sie n ALA 214 N 3.06 0.00 -2.33 5.17 0.00 -0.48 -4.97 120.51 120.96 1sie n ALA 214 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1sie n ALA 214 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1sie n ALA 214 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sie s LYS 215 N 1.57 1.47 -0.89 0.00 -0.14 -1.26 -3.00 119.74 117.49 1sie s LYS 215 Ca 0.00 -1.81 -0.02 0.00 -1.36 0.00 0.00 55.97 52.78 1sie s LYS 215 Cb 0.00 -0.28 0.31 0.00 -1.68 0.00 0.00 37.83 36.17 1sie s LYS 215 CO 0.00 -0.32 2.05 -0.11 -0.76 0.00 0.00 175.35 176.21 1sie n LEU 216 N -0.51 7.42 -0.13 3.17 0.00 -0.68 -4.70 117.00 121.56 1sie n LEU 216 Ca -0.00 -4.94 -0.05 0.00 0.00 0.00 0.00 56.01 51.02 1sie n LEU 216 Cb 0.66 -1.13 0.13 0.00 0.00 0.00 0.00 43.42 43.08 1sie n LEU 216 CO 0.37 1.86 0.86 -2.24 0.00 0.00 0.00 177.39 178.24 1sie h ASP 217 N 3.43 0.82 -0.68 1.96 2.03 -1.97 -3.44 116.42 118.58 1sie h ASP 217 Ca 0.55 -0.21 -0.51 0.00 -0.73 0.00 0.00 57.03 56.13 1sie h ASP 217 Cb 0.18 -0.22 0.02 0.00 -0.83 0.00 0.00 39.33 38.49 1sie h ASP 217 CO 1.31 0.89 -0.09 -0.54 -1.03 0.00 0.00 179.24 179.78 1sie s LYS 218 N -4.97 2.24 -0.00 4.15 3.01 -1.26 -5.12 119.74 117.78 1sie s LYS 218 Ca -0.10 -1.73 -0.04 0.00 -1.01 0.00 0.00 55.97 53.10 1sie s LYS 218 Cb 0.14 -2.59 -0.00 0.00 -1.01 0.00 0.00 37.83 34.37 1sie s LYS 218 CO 0.82 -0.92 0.07 0.34 0.51 0.00 0.00 175.35 176.18 1sie s ASP 219 N -4.67 0.05 -1.69 2.83 2.15 -1.26 -4.61 116.67 109.46 1sie s ASP 219 Ca 0.60 -0.16 -0.00 0.00 0.43 0.00 0.00 52.55 53.41 1sie s ASP 219 Cb -0.05 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1sie s ASP 219 CO 0.38 -0.24 0.05 0.61 -0.17 0.00 0.00 175.17 175.80 1sie n GLY 220 N 2.01 -0.46 0.92 2.66 0.00 -0.56 -4.87 105.19 104.89 1sie n GLY 220 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1sie n GLY 220 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sie n MET 221 N -3.00 0.00 -3.12 1.61 1.56 -1.21 -4.89 117.12 108.07 1sie n MET 221 Ca -0.23 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.80 1sie n MET 221 Cb 0.68 -0.54 -0.06 0.00 2.15 0.00 0.00 33.22 35.44 1sie n MET 221 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1sie s TYR 222 N -2.00 3.25 0.55 1.12 1.51 -1.26 -2.69 117.35 117.83 1sie s TYR 222 Ca 0.00 0.71 -0.21 0.00 -1.01 0.00 0.00 57.07 56.56 1sie s TYR 222 Cb 0.00 -2.89 -0.05 0.00 -0.11 0.00 0.00 41.96 38.91 1sie s TYR 222 CO 0.00 -0.38 1.33 -1.25 -1.11 0.00 0.00 175.55 174.14 1sie s PRO 223 N 2.54 3.11 0.21 -1.71 0.04 -1.26 0.77 135.00 138.70 1sie s PRO 223 Ca 0.25 2.17 0.26 0.00 0.04 0.00 0.00 61.00 63.72 1sie s PRO 223 Cb -0.15 -2.21 0.71 0.00 0.04 0.00 0.00 34.50 32.89 1sie s PRO 223 CO 0.10 -1.19 1.69 0.28 0.04 0.00 0.00 177.00 177.92 1sie h VAL 224 N 1.35 0.00 0.00 -0.36 2.07 -0.62 -2.51 116.25 116.18 1sie h VAL 224 Ca -0.51 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1sie h VAL 224 Cb 1.30 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1sie h VAL 224 CO 0.57 0.00 0.02 1.21 0.02 0.00 0.00 177.57 179.39 1sie n GLU 225 N -2.30 0.02 0.03 1.57 2.13 -1.25 -3.78 120.64 117.06 1sie n GLU 225 Ca 0.05 0.50 -0.00 0.00 0.66 0.00 0.00 57.16 58.37 1sie n GLU 225 Cb 0.44 -1.58 -0.00 0.00 0.27 0.00 0.00 31.44 30.57 1sie n GLU 225 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sie n ILE 226 N -1.58 0.86 -3.11 6.31 5.41 -0.97 -4.71 119.36 121.57 1sie n ILE 226 Ca -0.00 0.28 -0.40 0.00 1.00 0.00 0.00 62.75 63.63 1sie n ILE 226 Cb 0.03 -1.57 -0.05 0.00 -0.71 0.00 0.00 39.64 37.33 1sie n ILE 226 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1sie s TRP 227 N -2.01 3.43 0.13 1.39 0.52 -1.07 -1.38 118.94 119.95 1sie s TRP 227 Ca -0.00 1.01 0.11 0.00 0.02 0.00 0.00 56.10 57.23 1sie s TRP 227 Cb 0.00 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 1sie s TRP 227 CO 0.00 -0.10 -0.26 -1.01 0.02 0.00 0.00 176.95 175.60 1sie s HIS 228 N 1.62 2.25 0.04 -1.98 3.76 -0.26 -4.78 115.29 115.94 1sie s HIS 228 Ca 0.31 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 1sie s HIS 228 Cb -0.16 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.22 1sie s HIS 228 CO 0.12 0.33 1.97 -0.35 -0.85 0.00 0.00 174.74 175.96 1sie n PRO 229 N 0.92 2.86 -3.66 8.40 -0.04 -1.26 -0.13 135.00 142.09 1sie n PRO 229 Ca -0.18 1.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.97 1sie n PRO 229 Cb 0.53 -3.00 -0.08 0.00 -0.04 0.00 0.00 33.50 30.91 1sie n PRO 229 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1sie s ASP 230 N 4.41 6.29 -1.15 3.54 2.15 -0.15 -4.73 116.67 127.03 1sie s ASP 230 Ca 0.89 0.32 -0.20 0.00 0.43 0.00 0.00 52.55 54.00 1sie s ASP 230 Cb -0.44 -2.12 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1sie s ASP 230 CO 0.42 0.15 1.95 -0.81 -0.17 0.00 0.00 175.17 176.71 1sie n PRO 231 N 3.57 2.20 -2.15 4.34 -0.04 -1.26 -4.73 135.00 136.94 1sie n PRO 231 Ca -0.14 -2.49 -0.41 0.00 -0.04 0.00 0.00 63.50 60.42 1sie n PRO 231 Cb 0.52 -3.34 -0.03 0.00 -0.04 0.00 0.00 33.50 30.61 1sie n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sie s ALA 232 N 5.99 2.57 0.00 0.55 0.00 -1.26 -4.77 121.76 124.84 1sie s ALA 232 Ca 0.57 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1sie s ALA 232 Cb 0.08 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1sie s ALA 232 CO 0.07 -3.24 0.00 0.36 0.00 0.00 0.00 175.76 172.95 1sie n LYS 233 N 8.80 0.00 -4.57 0.00 -0.00 -1.26 -3.97 118.16 117.15 1sie n LYS 233 Ca 0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.26 1sie n LYS 233 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.37 1sie n LYS 233 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1sie s ASN 234 N -1.58 1.64 -0.02 -5.58 0.02 -1.26 -5.16 114.94 102.99 1sie s ASN 234 Ca 0.00 -0.26 -0.24 0.00 -1.02 0.00 0.00 52.86 51.33 1sie s ASN 234 Cb 0.00 -0.52 0.05 0.00 0.02 0.00 0.00 41.25 40.80 1sie s ASN 234 CO 0.00 0.08 0.54 -0.70 0.02 0.00 0.00 177.10 177.04 1sie s GLU 235 N 0.26 0.93 -0.03 -0.60 2.56 -1.25 -5.01 118.70 115.56 1sie s GLU 235 Ca -0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.97 54.98 1sie s GLU 235 Cb -0.11 0.43 0.06 0.00 2.00 0.00 0.00 34.13 36.51 1sie s GLU 235 CO 0.02 -0.29 0.90 -1.71 -0.56 0.00 0.00 175.26 173.61 1sie n ASN 236 N 0.94 1.25 -4.39 -1.70 5.15 -1.26 -5.02 115.26 110.22 1sie n ASN 236 Ca -0.20 -1.97 -0.25 0.00 -0.60 0.00 0.00 54.58 51.56 1sie n ASN 236 Cb 0.57 -0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.59 1sie n ASN 236 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1sie s THR 237 N -0.98 2.18 -0.13 -0.44 -4.23 -1.26 -2.26 115.64 108.51 1sie s THR 237 Ca 0.07 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1sie s THR 237 Cb 0.06 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.89 1sie s THR 237 CO 0.01 -0.16 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.62 1sie s ARG 238 N -2.65 2.54 0.22 3.99 1.81 0.82 -4.89 118.95 120.79 1sie s ARG 238 Ca 0.19 -0.67 0.02 0.00 -1.72 0.00 0.00 55.73 53.54 1sie s ARG 238 Cb -0.07 -2.13 -0.05 0.00 -0.45 0.00 0.00 34.95 32.25 1sie s ARG 238 CO 0.09 -0.07 0.05 1.52 -0.68 0.00 0.00 175.30 176.20 1sie s TYR 239 N 0.99 1.39 -0.24 -0.53 -0.85 -1.26 -0.06 117.35 116.79 1sie s TYR 239 Ca -0.05 -1.09 -0.31 0.00 -0.52 0.00 0.00 57.07 55.10 1sie s TYR 239 Cb -0.15 -0.81 0.17 0.00 0.38 0.00 0.00 41.96 41.55 1sie s TYR 239 CO -0.03 -0.26 1.26 -0.59 -1.52 0.00 0.00 175.55 174.41 1sie s PHE 240 N -3.69 -0.12 0.00 -3.49 -0.12 0.12 -4.96 117.98 105.72 1sie s PHE 240 Ca 0.31 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.37 1sie s PHE 240 Cb 0.07 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1sie s PHE 240 CO 0.09 -0.12 0.00 0.41 -0.05 0.00 0.00 175.22 175.55 1sie n GLY 241 N 0.43 0.68 3.54 1.99 0.00 -1.26 0.22 105.19 110.78 1sie n GLY 241 Ca -0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 1sie n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sie s ASN 242 N -0.79 -0.57 -0.10 1.61 2.20 0.61 -4.92 114.94 112.99 1sie s ASN 242 Ca 0.00 0.63 -0.05 0.00 -0.94 0.00 0.00 52.86 52.51 1sie s ASN 242 Cb 0.00 0.48 -0.04 0.00 -2.00 0.00 0.00 41.25 39.69 1sie s ASN 242 CO 0.00 -0.53 0.09 -0.47 -2.94 0.00 0.00 177.10 173.25 1sie s TYR 243 N -1.15 3.43 -0.38 1.54 5.04 -1.26 -3.03 117.35 121.54 1sie s TYR 243 Ca -0.08 0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 1sie s TYR 243 Cb -0.00 -1.87 0.13 0.00 0.35 0.00 0.00 41.96 40.56 1sie s TYR 243 CO 0.07 0.63 0.19 0.99 -1.34 0.00 0.00 175.55 176.10 1sie s THR 244 N -1.00 0.85 1.40 4.34 2.01 0.34 -4.98 115.64 118.59 1sie s THR 244 Ca 0.15 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 59.99 1sie s THR 244 Cb -0.12 -1.62 0.36 0.00 0.01 0.00 0.00 72.50 71.14 1sie s THR 244 CO 0.05 -0.86 0.90 0.61 -0.69 0.00 0.00 174.62 174.62 1sie n GLY 245 N 4.08 -3.44 0.00 4.40 0.00 -1.26 0.79 105.19 109.77 1sie n GLY 245 Ca 0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1sie n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 246 N 1.69 2.36 0.11 -0.02 0.00 -1.26 -4.17 105.19 103.90 1sie n GLY 246 Ca 0.10 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1sie n GLY 246 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sie n THR 247 N 0.06 1.52 -0.13 2.61 -2.24 -1.26 0.28 114.28 115.12 1sie n THR 247 Ca 0.00 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 1sie n THR 247 Cb 0.00 -2.04 -0.10 0.00 -2.10 0.00 0.00 70.33 66.08 1sie n THR 247 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sie n THR 248 N -4.40 1.53 -0.49 4.28 -2.24 -1.26 -2.91 114.28 108.79 1sie n THR 248 Ca -0.36 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1sie n THR 248 Cb 0.70 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1sie n THR 248 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1sie n THR 249 N -4.26 0.00 -1.60 4.28 -1.04 -1.26 -1.59 114.28 108.81 1sie n THR 249 Ca -0.49 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.04 1sie n THR 249 Cb 0.85 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.32 1sie n THR 249 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1sie n PRO 250 N 0.14 1.41 -1.57 -2.82 -0.02 -1.26 -3.06 135.00 127.83 1sie n PRO 250 Ca 0.00 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 1sie n PRO 250 Cb 0.00 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1sie n PRO 250 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sie s PRO 251 N -0.31 2.49 -0.04 0.52 0.02 -1.26 -4.99 135.00 131.43 1sie s PRO 251 Ca 0.73 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 1sie s PRO 251 Cb -0.80 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 31.87 1sie s PRO 251 CO 0.51 -1.50 0.60 0.14 -0.33 0.00 0.00 177.00 176.42 1sie s VAL 252 N -2.35 0.01 0.00 3.83 -7.23 -1.26 -5.16 120.40 108.25 1sie s VAL 252 Ca 0.68 -0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.46 1sie s VAL 252 Cb -0.22 -0.92 0.10 0.00 0.56 0.00 0.00 36.38 35.90 1sie s VAL 252 CO 0.45 -0.06 0.84 -0.22 -0.31 0.00 0.00 175.10 175.81 1sie s LEU 253 N -1.24 -0.41 -0.39 1.32 0.20 -1.26 -5.13 118.68 111.76 1sie s LEU 253 Ca -0.11 0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.74 1sie s LEU 253 Cb -0.01 2.12 0.09 0.00 -0.43 0.00 0.00 46.19 47.96 1sie s LEU 253 CO 0.08 -0.64 0.19 -1.10 -0.29 0.00 0.00 176.35 174.59 1sie s GLN 254 N -2.90 2.32 -0.47 1.98 -1.52 -1.26 -5.06 119.66 112.75 1sie s GLN 254 Ca 0.03 -1.58 -0.29 0.00 -1.95 0.00 0.00 55.36 51.57 1sie s GLN 254 Cb -0.01 -3.59 0.02 0.00 -0.22 0.00 0.00 33.01 29.21 1sie s GLN 254 CO -0.07 -0.95 1.24 -0.06 -0.25 0.00 0.00 175.29 175.20 1sie s PHE 255 N 1.27 2.65 -0.29 0.91 0.08 -1.26 -4.74 117.98 116.60 1sie s PHE 255 Ca 0.04 0.68 -0.24 0.00 0.12 0.00 0.00 56.93 57.52 1sie s PHE 255 Cb -0.22 -4.41 0.14 0.00 -0.57 0.00 0.00 43.02 37.96 1sie s PHE 255 CO -0.01 -1.54 1.13 -0.08 -0.10 0.00 0.00 175.22 174.62 1sie s THR 256 N 4.86 0.00 0.00 0.64 -1.32 -1.26 -5.04 115.64 113.52 1sie s THR 256 Ca 0.52 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1sie s THR 256 Cb -0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1sie s THR 256 CO 0.32 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.53 1sie n ASN 257 N 2.22 0.00 0.00 8.08 2.85 -1.26 -4.40 115.26 122.75 1sie n ASN 257 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1sie n ASN 257 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1sie n ASN 257 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1sie n THR 258 N 0.00 0.00 -2.57 -0.44 -2.24 -1.26 -4.80 114.28 102.97 1sie n THR 258 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1sie n THR 258 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1sie n THR 258 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sie s LEU 259 N 0.00 4.25 0.04 3.22 2.01 -1.26 -5.07 118.68 121.87 1sie s LEU 259 Ca 0.00 1.66 0.07 0.00 0.01 0.00 0.00 54.13 55.87 1sie s LEU 259 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.61 1sie s LEU 259 CO 0.00 -0.54 -0.19 -0.89 1.01 0.00 0.00 176.35 175.75 1sie s THR 260 N 2.24 2.75 0.14 5.49 2.01 -1.26 -4.41 115.64 122.60 1sie s THR 260 Ca 0.52 -1.21 0.10 0.00 0.31 0.00 0.00 61.69 61.41 1sie s THR 260 Cb -0.21 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1sie s THR 260 CO 0.19 0.33 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.34 1sie s THR 261 N -0.92 2.01 -0.41 -0.82 2.01 -0.19 -4.92 115.64 112.40 1sie s THR 261 Ca 0.14 -1.77 -0.11 0.00 0.31 0.00 0.00 61.69 60.26 1sie s THR 261 Cb -0.10 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.61 1sie s THR 261 CO 0.05 -0.08 0.26 0.68 -0.69 0.00 0.00 174.62 174.84 1sie s VAL 262 N -1.41 4.58 0.29 3.82 -7.23 -1.26 0.13 120.40 119.31 1sie s VAL 262 Ca 0.13 -1.08 0.25 0.00 -1.81 0.00 0.00 61.98 59.47 1sie s VAL 262 Cb -0.09 -3.67 0.25 0.00 0.56 0.00 0.00 36.38 33.44 1sie s VAL 262 CO 0.06 -0.39 1.95 -0.07 -0.31 0.00 0.00 175.10 176.34 1sie h LEU 263 N 8.48 0.00 -9.24 1.32 3.38 0.19 -3.44 115.31 116.01 1sie h LEU 263 Ca -0.25 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.03 1sie h LEU 263 Cb 1.10 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.90 1sie h LEU 263 CO 0.73 0.19 0.39 -0.11 0.09 0.00 0.00 178.44 179.73 1sie n LEU 264 N -3.54 1.43 0.00 1.67 7.94 -0.43 -4.06 117.00 120.00 1sie n LEU 264 Ca -0.01 1.13 -0.27 0.00 -1.11 0.00 0.00 56.01 55.75 1sie n LEU 264 Cb 0.33 -1.16 0.18 0.00 0.53 0.00 0.00 43.42 43.31 1sie n LEU 264 CO 0.32 -1.17 0.78 -0.90 -1.11 0.00 0.00 177.39 175.31 1sie n ASP 265 N 2.37 0.37 0.04 1.96 5.75 -1.26 -4.58 116.55 121.19 1sie n ASP 265 Ca 0.18 -1.61 0.21 0.00 -0.01 0.00 0.00 54.79 53.56 1sie n ASP 265 Cb 0.18 -0.90 0.73 0.00 -1.03 0.00 0.00 41.12 40.10 1sie n ASP 265 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sie h GLU 266 N 0.00 0.00 -0.41 0.11 5.08 -1.96 -1.16 114.58 116.25 1sie h GLU 266 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1sie h GLU 266 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sie h GLU 266 CO 0.30 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 1sie n ASN 267 N -4.08 3.09 -1.01 1.42 3.02 -1.26 -4.94 115.26 111.50 1sie n ASN 267 Ca 0.09 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1sie n ASN 267 Cb 0.62 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1sie n ASN 267 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sie n GLY 268 N 0.69 0.52 0.00 7.41 0.00 -0.44 -4.98 105.19 108.39 1sie n GLY 268 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1sie n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sie n VAL 269 N -1.01 0.00 -3.92 1.61 0.31 -1.26 -4.83 118.33 109.23 1sie n VAL 269 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sie n VAL 269 Cb 0.47 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1sie n VAL 269 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sie n GLY 270 N 1.84 0.94 3.91 2.92 0.00 -1.26 -4.66 105.19 108.89 1sie n GLY 270 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 1sie n GLY 270 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sie s PRO 271 N 0.00 3.07 -0.02 1.61 0.02 -1.12 -4.55 135.00 134.01 1sie s PRO 271 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 61.00 60.04 1sie s PRO 271 Cb 0.00 -2.70 -0.00 0.00 0.02 0.00 0.00 34.50 31.81 1sie s PRO 271 CO 0.00 0.26 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.30 1sie s LEU 272 N -4.00 1.93 -0.58 -5.54 1.02 -1.26 -0.25 118.68 110.00 1sie s LEU 272 Ca 0.38 -0.23 -0.28 0.00 0.02 0.00 0.00 54.13 54.02 1sie s LEU 272 Cb -0.08 -0.66 0.03 0.00 0.02 0.00 0.00 46.19 45.49 1sie s LEU 272 CO 0.28 0.13 1.17 0.00 0.02 0.00 0.00 176.35 177.95 1sie s LYS 274 N 4.90 3.75 0.00 0.00 1.02 0.92 -4.40 119.74 125.93 1sie s LYS 274 Ca 0.41 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1sie s LYS 274 Cb -0.08 -4.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 1sie s LYS 274 CO 0.24 -1.34 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 1sie n GLY 275 N 4.72 -2.46 0.92 -3.33 0.00 -1.26 -4.04 105.19 99.74 1sie n GLY 275 Ca 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1sie n GLY 275 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sie n GLU 276 N -1.55 0.72 -3.48 1.61 -0.58 -1.26 -4.82 120.64 111.27 1sie n GLU 276 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1sie n GLU 276 Cb 0.00 -1.18 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1sie n GLU 276 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1sie s GLY 277 N 0.80 2.39 -0.08 0.62 0.00 -1.26 -1.62 107.32 108.17 1sie s GLY 277 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.50 1sie s GLY 277 CO 0.00 -0.03 -0.24 -2.27 0.00 0.00 0.00 173.10 170.57 1sie s LEU 278 N -1.95 2.13 -0.28 0.66 0.20 -0.68 -4.40 118.68 114.37 1sie s LEU 278 Ca 0.35 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1sie s LEU 278 Cb -0.14 -1.41 0.07 0.00 -0.43 0.00 0.00 46.19 44.28 1sie s LEU 278 CO 0.19 0.20 -0.04 -0.31 -0.29 0.00 0.00 176.35 176.10 1sie s TYR 279 N 0.08 3.09 0.17 5.38 1.51 0.17 -0.05 117.35 127.70 1sie s TYR 279 Ca -0.11 -2.33 -0.08 0.00 -1.01 0.00 0.00 57.07 53.55 1sie s TYR 279 Cb -0.16 -2.08 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1sie s TYR 279 CO 0.06 -0.87 0.45 -0.51 -1.11 0.00 0.00 175.55 173.57 1sie s LEU 280 N 1.15 4.24 -0.26 -1.29 1.43 -1.07 -1.24 118.68 121.64 1sie s LEU 280 Ca -0.02 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 53.58 1sie s LEU 280 Cb -0.19 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.71 1sie s LEU 280 CO -0.07 0.02 0.81 -0.94 0.23 0.00 0.00 176.35 176.40 1sie s SER 281 N -2.29 -0.66 0.05 2.29 1.04 -0.78 -2.61 113.70 110.74 1sie s SER 281 Ca 0.42 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 1sie s SER 281 Cb -0.12 1.25 0.05 0.00 0.10 0.00 0.00 66.02 67.29 1sie s SER 281 CO 0.22 -0.24 0.65 0.00 0.98 0.00 0.00 173.24 174.85 1sie s VAL 283 N -2.18 0.00 -0.44 0.00 -7.23 0.18 -2.75 120.40 107.98 1sie s VAL 283 Ca 0.15 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.37 1sie s VAL 283 Cb -0.01 -1.00 0.17 0.00 0.56 0.00 0.00 36.38 36.10 1sie s VAL 283 CO 0.01 0.00 0.44 -1.81 -0.31 0.00 0.00 175.10 173.44 1sie s ASP 284 N 0.19 0.67 -0.32 4.85 1.01 -1.23 -2.25 116.67 119.59 1sie s ASP 284 Ca 0.01 -2.63 -0.21 0.00 0.71 0.00 0.00 52.55 50.43 1sie s ASP 284 Cb -0.05 0.23 -0.00 0.00 1.01 0.00 0.00 42.92 44.11 1sie s ASP 284 CO -0.02 -0.15 0.67 -0.63 0.21 0.00 0.00 175.17 175.25 1sie s ILE 285 N 0.36 4.89 -2.00 0.77 1.09 0.21 -2.49 121.20 124.04 1sie s ILE 285 Ca 0.31 0.88 0.27 0.00 -1.10 0.00 0.00 60.65 61.01 1sie s ILE 285 Cb 0.01 -4.05 0.34 0.00 -1.06 0.00 0.00 42.46 37.71 1sie s ILE 285 CO -0.15 -0.20 1.60 0.23 -0.10 0.00 0.00 174.94 176.33 1sie n MET 286 N 5.99 1.11 0.00 2.79 2.81 -0.57 -1.21 117.12 128.05 1sie n MET 286 Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1sie n MET 286 Cb 0.49 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1sie n MET 286 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sie n GLY 287 N 1.29 -1.15 3.69 3.03 0.00 -1.20 -4.48 105.19 106.38 1sie n GLY 287 Ca 0.14 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1sie n GLY 287 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1sie s TRP 288 N 0.00 2.97 -0.08 1.61 -2.14 0.19 0.32 118.94 121.81 1sie s TRP 288 Ca 0.00 -0.05 -0.15 0.00 2.66 0.00 0.00 56.10 58.56 1sie s TRP 288 Cb 0.00 -1.50 -0.05 0.00 -3.10 0.00 0.00 33.47 28.83 1sie s TRP 288 CO 0.00 0.49 0.38 0.50 -2.66 0.00 0.00 176.95 175.66 1sie s ARG 289 N -2.55 4.09 -0.10 3.25 3.52 -0.87 -2.12 118.95 124.17 1sie s ARG 289 Ca 0.27 0.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1sie s ARG 289 Cb -0.11 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1sie s ARG 289 CO 0.19 0.44 -0.16 0.08 -0.81 0.00 0.00 175.30 175.04 1sie s VAL 290 N -0.23 2.83 0.16 7.11 1.01 -1.26 -3.72 120.40 126.30 1sie s VAL 290 Ca 0.22 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1sie s VAL 290 Cb -0.15 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1sie s VAL 290 CO 0.09 0.55 1.16 0.42 0.00 0.00 0.00 175.10 177.33 1sie s THR 291 N -0.02 3.75 -1.01 3.92 -4.23 -0.76 -1.45 115.64 115.83 1sie s THR 291 Ca -0.05 1.45 -0.23 0.00 -1.18 0.00 0.00 61.69 61.68 1sie s THR 291 Cb -0.14 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.75 1sie s THR 291 CO 0.04 0.22 1.83 -0.60 -0.54 0.00 0.00 174.62 175.57 1sie s ARG 292 N -0.10 2.86 0.00 3.99 3.00 -0.89 -3.03 118.95 124.78 1sie s ARG 292 Ca 0.52 -0.77 0.00 0.00 -1.00 0.00 0.00 55.73 54.49 1sie s ARG 292 Cb -0.31 -5.20 0.00 0.00 0.00 0.00 0.00 34.95 29.44 1sie s ARG 292 CO 0.35 -3.18 0.00 -1.71 0.00 0.00 0.00 175.30 170.76 1sie n ASN 293 N 12.61 0.00 -0.94 -2.12 2.85 -1.26 -4.79 115.26 121.61 1sie n ASN 293 Ca 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1sie n ASN 293 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1sie n ASN 293 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sie n TYR 294 N 0.00 0.00 -1.75 1.20 4.01 -1.17 -5.01 117.16 114.44 1sie n TYR 294 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1sie n TYR 294 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1sie n TYR 294 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sie n ASP 295 N -0.68 7.11 -4.71 7.72 9.92 -1.26 -3.83 116.55 130.81 1sie n ASP 295 Ca 0.00 -3.58 -0.42 0.00 -0.53 0.00 0.00 54.79 50.26 1sie n ASP 295 Cb 0.00 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.31 1sie n ASP 295 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sie s VAL 296 N -3.92 4.17 -0.35 2.53 1.01 -1.26 -4.93 120.40 117.65 1sie s VAL 296 Ca 0.55 1.54 0.16 0.00 0.00 0.00 0.00 61.98 64.23 1sie s VAL 296 Cb 0.41 -3.99 -0.22 0.00 0.00 0.00 0.00 36.38 32.58 1sie s VAL 296 CO -0.34 0.08 0.51 1.41 0.00 0.00 0.00 175.10 176.76 1sie n HIS 297 N 4.30 0.00 0.00 5.22 8.25 -1.26 -1.82 115.22 129.90 1sie n HIS 297 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1sie n HIS 297 Cb 0.47 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1sie n HIS 297 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1sie n HIS 298 N -1.77 0.00 -3.12 4.41 1.44 -1.24 -3.18 115.22 111.76 1sie n HIS 298 Ca -0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.34 1sie n HIS 298 Cb 0.35 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 1sie n HIS 298 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1sie s TRP 299 N 0.00 3.66 0.19 -1.40 -0.00 -1.26 -2.04 118.94 118.08 1sie s TRP 299 Ca 0.00 1.36 -0.00 0.00 -0.00 0.00 0.00 56.10 57.46 1sie s TRP 299 Cb 0.00 -2.60 -0.04 0.00 -0.00 0.00 0.00 33.47 30.83 1sie s TRP 299 CO 0.00 0.36 0.37 0.50 -0.00 0.00 0.00 176.95 178.17 1sie s ARG 300 N -1.93 3.50 0.24 3.25 3.52 0.15 -0.27 118.95 127.41 1sie s ARG 300 Ca 0.42 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1sie s ARG 300 Cb -0.17 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1sie s ARG 300 CO 0.21 0.43 0.08 0.20 -0.81 0.00 0.00 175.30 175.40 1sie s GLY 301 N -3.17 1.61 0.11 8.12 0.00 -1.24 -1.50 107.32 111.24 1sie s GLY 301 Ca 0.38 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.34 1sie s GLY 301 CO 0.29 -1.57 -0.11 1.08 0.00 0.00 0.00 173.10 172.79 1sie s LEU 302 N -3.27 2.43 0.84 0.66 1.43 -1.04 -4.94 118.68 114.80 1sie s LEU 302 Ca 0.35 -0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 1sie s LEU 302 Cb 0.07 -0.39 0.11 0.00 0.03 0.00 0.00 46.19 46.02 1sie s LEU 302 CO 0.11 -0.24 1.20 -2.16 0.23 0.00 0.00 176.35 175.50 1sie s PRO 303 N -2.95 1.60 -0.02 1.29 0.04 -1.26 -4.26 135.00 129.43 1sie s PRO 303 Ca 0.09 -0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.05 1sie s PRO 303 Cb -0.02 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1sie s PRO 303 CO 0.01 -1.80 -0.05 0.50 0.04 0.00 0.00 177.00 175.70 1sie s ARG 304 N -5.63 0.60 0.25 4.56 3.52 -0.24 -2.26 118.95 119.75 1sie s ARG 304 Ca 0.65 -0.16 -0.10 0.00 -0.13 0.00 0.00 55.73 55.99 1sie s ARG 304 Cb -0.09 -0.61 -0.07 0.00 -1.56 0.00 0.00 34.95 32.62 1sie s ARG 304 CO 0.50 0.04 0.59 -0.47 -0.81 0.00 0.00 175.30 175.14 1sie s TYR 305 N 0.31 3.42 -0.07 5.12 6.14 -0.08 -0.80 117.35 131.39 1sie s TYR 305 Ca -0.04 0.92 -0.03 0.00 0.64 0.00 0.00 57.07 58.56 1sie s TYR 305 Cb -0.08 -2.30 0.04 0.00 0.42 0.00 0.00 41.96 40.05 1sie s TYR 305 CO -0.00 0.22 0.13 -0.06 0.64 0.00 0.00 175.55 176.48 1sie s PHE 306 N -1.88 -0.11 -0.36 4.97 0.40 0.19 -2.91 117.98 118.29 1sie s PHE 306 Ca 0.48 0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 57.29 1sie s PHE 306 Cb -0.11 -0.30 0.09 0.00 0.51 0.00 0.00 43.02 43.21 1sie s PHE 306 CO 0.21 -0.23 0.11 0.21 0.70 0.00 0.00 175.22 176.22 1sie s LYS 307 N 2.10 2.00 -0.23 0.44 2.20 0.18 -1.56 119.74 124.87 1sie s LYS 307 Ca 0.02 -1.68 -0.10 0.00 -0.36 0.00 0.00 55.97 53.85 1sie s LYS 307 Cb -0.12 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1sie s LYS 307 CO -0.05 -0.92 0.15 0.42 -0.36 0.00 0.00 175.35 174.60 1sie s ILE 308 N 1.11 5.34 -0.21 5.43 1.09 0.89 -1.22 121.20 133.64 1sie s ILE 308 Ca 0.05 0.17 -0.05 0.00 -1.10 0.00 0.00 60.65 59.72 1sie s ILE 308 Cb -0.21 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1sie s ILE 308 CO -0.04 0.37 0.00 -0.89 -0.10 0.00 0.00 174.94 174.28 1sie s THR 309 N 0.91 3.88 0.07 2.92 2.01 -0.86 0.16 115.64 124.74 1sie s THR 309 Ca 0.07 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1sie s THR 309 Cb -0.13 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1sie s THR 309 CO 0.03 0.41 0.26 -1.48 -0.69 0.00 0.00 174.62 173.16 1sie s LEU 310 N 1.21 1.06 0.35 4.42 0.05 0.06 -0.60 118.68 125.24 1sie s LEU 310 Ca 0.03 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 53.86 1sie s LEU 310 Cb -0.15 1.26 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 1sie s LEU 310 CO 0.01 -0.68 0.07 0.00 -0.55 0.00 0.00 176.35 175.21 1sie s ARG 311 N -3.17 1.75 -0.51 1.48 1.70 0.47 -1.62 118.95 119.05 1sie s ARG 311 Ca -0.01 -2.00 -0.19 0.00 -0.47 0.00 0.00 55.73 53.06 1sie s ARG 311 Cb 0.01 -0.82 0.06 0.00 -0.57 0.00 0.00 34.95 33.63 1sie s ARG 311 CO -0.07 -0.27 0.64 0.15 -1.08 0.00 0.00 175.30 174.66 1sie s LYS 312 N -3.85 3.13 -0.03 3.89 1.02 -1.26 -0.65 119.74 121.99 1sie s LYS 312 Ca 0.32 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 1sie s LYS 312 Cb 0.07 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1sie s LYS 312 CO 0.15 -1.23 0.05 0.50 -0.92 0.00 0.00 175.35 173.90 1sie s ARG 313 N 2.68 3.03 0.24 1.68 3.52 -0.29 -4.83 118.95 124.99 1sie s ARG 313 Ca 0.16 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.13 1sie s ARG 313 Cb -0.19 -2.84 -0.08 0.00 -1.56 0.00 0.00 34.95 30.28 1sie s ARG 313 CO 0.12 0.67 0.70 -1.58 -0.81 0.00 0.00 175.30 174.40 1sie s TRP 314 N -1.09 3.56 0.09 5.12 0.52 -1.26 -0.60 118.94 125.28 1sie s TRP 314 Ca 0.19 1.28 0.02 0.00 0.02 0.00 0.00 56.10 57.61 1sie s TRP 314 Cb -0.12 -2.55 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 1sie s TRP 314 CO 0.10 0.28 0.08 0.28 0.02 0.00 0.00 176.95 177.70 1sie n VAL 315 N 0.39 0.00 -3.88 4.03 0.31 0.13 -4.90 118.33 114.42 1sie n VAL 315 Ca -0.01 -0.60 -0.14 0.00 -0.01 0.00 0.00 64.34 63.58 1sie n VAL 315 Cb 0.52 0.31 -0.15 0.00 -0.91 0.00 0.00 33.84 33.60 1sie n VAL 315 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1sie s LYS 316 N -2.32 0.09 -0.07 5.55 2.47 -1.23 -1.74 119.74 122.48 1sie s LYS 316 Ca 0.10 0.06 -0.30 0.00 -1.56 0.00 0.00 55.97 54.27 1sie s LYS 316 Cb 0.00 -0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 36.11 1sie s LYS 316 CO 0.07 -0.07 1.59 1.21 0.16 0.00 0.00 175.35 178.31 1sie s ASN 317 N 0.55 6.71 0.34 1.43 3.04 0.29 -4.83 114.94 122.47 1sie s ASN 317 Ca -0.05 2.16 0.16 0.00 0.04 0.00 0.00 52.86 55.17 1sie s ASN 317 Cb -0.07 -2.54 0.52 0.00 -1.54 0.00 0.00 41.25 37.63 1sie s ASN 317 CO -0.01 -0.89 1.66 1.55 -3.04 0.00 0.00 177.10 176.37 1sie h PRO 318 N 9.26 0.00 -7.49 0.43 0.13 -1.98 -3.47 132.00 128.88 1sie h PRO 318 Ca -0.37 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.28 1sie h PRO 318 Cb 1.17 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 1sie h PRO 318 CO 0.95 0.46 0.36 0.71 -0.23 0.00 0.00 178.00 180.25 1sie s TYR 319 N -3.51 3.02 -0.19 1.56 2.02 -1.26 -5.09 117.35 113.90 1sie s TYR 319 Ca 0.00 0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 57.36 1sie s TYR 319 Cb 0.11 -3.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.32 1sie s TYR 319 CO 0.71 -1.54 0.05 -1.25 -1.57 0.00 0.00 175.55 171.95 1sie s PRO 320 N -5.43 3.86 0.13 -1.71 0.04 -1.26 -5.00 135.00 125.63 1sie s PRO 320 Ca 0.60 -0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 1sie s PRO 320 Cb -0.11 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1sie s PRO 320 CO 0.48 0.18 1.15 -0.12 0.04 0.00 0.00 177.00 178.73 1sie n MET 321 N 3.80 -0.28 0.00 4.56 1.56 -1.26 -0.09 117.12 125.41 1sie n MET 321 Ca -0.17 1.13 0.00 0.00 -0.27 0.00 0.00 57.70 58.40 1sie n MET 321 Cb 0.52 -1.67 0.00 0.00 2.15 0.00 0.00 33.22 34.22 1sie n MET 321 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1sie n ALA 322 N -3.49 0.00 -0.24 -5.12 0.00 -1.26 -0.18 120.51 110.23 1sie n ALA 322 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1sie n ALA 322 Cb 0.22 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 1sie n ALA 322 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sie h SER 323 N 0.00 -1.61 -0.98 0.00 0.87 -0.92 0.28 113.55 111.19 1sie h SER 323 Ca 0.00 0.23 0.19 0.00 -1.23 0.00 0.00 61.79 60.98 1sie h SER 323 Cb 0.00 0.69 -0.18 0.00 -0.44 0.00 0.00 62.40 62.47 1sie h SER 323 CO 0.00 -0.24 -0.26 0.18 -0.53 0.00 0.00 176.83 175.98 1sie n LEU 324 N -4.79 -0.39 0.36 2.23 4.77 0.49 0.12 117.00 119.79 1sie n LEU 324 Ca -0.00 1.69 -0.14 0.00 -0.03 0.00 0.00 56.01 57.53 1sie n LEU 324 Cb 0.23 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1sie n LEU 324 CO -0.07 -1.61 0.42 0.40 -1.33 0.00 0.00 177.39 175.20 1sie h ILE 325 N 0.00 0.00 -0.49 -0.08 5.03 0.28 0.11 117.51 122.37 1sie h ILE 325 Ca 0.45 -0.19 0.09 0.00 -0.12 0.00 0.00 64.86 65.09 1sie h ILE 325 Cb 0.70 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.39 1sie h ILE 325 CO -1.01 0.00 -0.38 -1.28 -0.68 0.00 0.00 178.15 174.80 1sie h SER 326 N -1.13 -1.29 -0.87 1.72 0.87 0.11 1.18 113.55 114.14 1sie h SER 326 Ca -0.10 0.22 0.23 0.00 -1.23 0.00 0.00 61.79 60.91 1sie h SER 326 Cb 0.72 0.60 -0.15 0.00 -0.44 0.00 0.00 62.40 63.13 1sie h SER 326 CO 0.16 -0.33 0.17 0.28 -0.53 0.00 0.00 176.83 176.58 1sie h SER 327 N -0.24 -0.12 0.29 6.23 0.02 0.10 2.37 113.55 122.20 1sie h SER 327 Ca 0.18 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1sie h SER 327 Cb 0.56 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1sie h SER 327 CO -0.62 -0.19 -0.14 0.25 -1.14 0.00 0.00 176.83 174.99 1sie h LEU 328 N 0.16 -0.33 -0.27 5.07 5.85 0.36 -2.92 115.31 123.23 1sie h LEU 328 Ca 0.54 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1sie h LEU 328 Cb 1.08 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1sie h LEU 328 CO -0.69 -0.17 -0.33 -0.26 -0.34 0.00 0.00 178.44 176.65 1sie h PHE 329 N -0.52 -1.02 -1.16 1.25 0.04 0.33 0.15 116.94 116.01 1sie h PHE 329 Ca -0.04 0.05 0.34 0.00 2.80 0.00 0.00 57.97 61.12 1sie h PHE 329 Cb 0.30 0.48 -0.05 0.00 2.20 0.00 0.00 35.95 38.88 1sie h PHE 329 CO 0.09 -0.29 1.24 -0.91 -0.60 0.00 0.00 178.31 177.85 1sie h ASN 330 N -0.22 0.00 0.45 2.17 -0.26 0.38 2.12 115.58 120.22 1sie h ASN 330 Ca 0.05 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.53 1sie h ASN 330 Cb 0.35 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1sie h ASN 330 CO -0.37 0.00 -1.11 0.78 -1.06 0.00 0.00 177.43 175.67 1sie h ASN 331 N 0.00 0.52 0.24 5.81 4.21 -0.49 -3.32 115.58 122.55 1sie h ASN 331 Ca 0.55 -0.48 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1sie h ASN 331 Cb 3.03 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 40.04 1sie h ASN 331 CO -0.01 1.32 -0.29 0.24 -1.29 0.00 0.00 177.43 177.41 1sie h MET 332 N 0.16 -0.56 -6.26 0.81 2.86 0.37 -3.42 114.93 108.89 1sie h MET 332 Ca -0.12 0.04 -0.55 0.00 -2.06 0.00 0.00 59.70 57.01 1sie h MET 332 Cb 1.79 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 1sie h MET 332 CO 0.19 -0.37 1.05 -0.51 1.06 0.00 0.00 176.91 178.33 1sie s LEU 333 N -10.23 4.31 0.80 1.22 2.01 -1.14 -4.98 118.68 110.67 1sie s LEU 333 Ca -0.16 2.18 -0.13 0.00 0.01 0.00 0.00 54.13 56.03 1sie s LEU 333 Cb 0.07 -3.54 0.08 0.00 0.01 0.00 0.00 46.19 42.81 1sie s LEU 333 CO 0.64 -0.90 1.20 -2.16 1.01 0.00 0.00 176.35 176.14 1sie s PRO 334 N 3.85 1.72 -0.04 1.29 0.04 -1.26 -4.92 135.00 135.68 1sie s PRO 334 Ca 0.71 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1sie s PRO 334 Cb -0.32 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1sie s PRO 334 CO 0.28 -2.14 0.57 -0.65 0.04 0.00 0.00 177.00 175.09 1sie s GLN 335 N -4.15 4.31 -0.20 4.56 -1.52 -1.26 -4.99 119.66 116.41 1sie s GLN 335 Ca 0.72 0.66 -0.10 0.00 -1.95 0.00 0.00 55.36 54.69 1sie s GLN 335 Cb -0.28 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.09 1sie s GLN 335 CO 0.50 0.30 0.14 0.14 -0.25 0.00 0.00 175.29 176.12 1sie s VAL 336 N 0.06 5.40 0.00 1.09 -7.23 -1.26 -5.03 120.40 113.44 1sie s VAL 336 Ca 0.30 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1sie s VAL 336 Cb -0.17 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1sie s VAL 336 CO 0.15 0.44 0.00 0.00 -0.31 0.00 0.00 175.10 175.38 1sie n GLN 337 N 3.50 0.00 -1.39 4.82 3.00 -1.26 -5.10 117.38 120.95 1sie n GLN 337 Ca -0.16 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 56.99 1sie n GLN 337 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.67 1sie n GLN 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sie n GLY 338 N 0.67 -3.42 3.32 1.08 0.00 -1.26 -4.89 105.19 100.69 1sie n GLY 338 Ca 0.00 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1sie n GLY 338 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 339 N -4.15 0.13 -1.95 1.61 6.02 -1.26 -4.82 117.38 112.97 1sie n GLN 339 Ca -0.09 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 56.73 1sie n GLN 339 Cb 0.65 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 1sie n GLN 339 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1sie s PRO 340 N -2.25 2.27 -0.86 -1.09 0.02 -1.26 -4.87 135.00 126.96 1sie s PRO 340 Ca 0.58 -0.46 -0.03 0.00 0.02 0.00 0.00 61.00 61.10 1sie s PRO 340 Cb -0.34 -5.07 0.19 0.00 0.02 0.00 0.00 34.50 29.30 1sie s PRO 340 CO 0.66 -3.92 2.32 -1.33 -0.33 0.00 0.00 177.00 174.40 1sie n MET 341 N 8.61 3.56 0.00 5.54 2.81 -1.26 -1.94 117.12 134.43 1sie n MET 341 Ca 0.43 -3.33 0.00 0.00 -1.81 0.00 0.00 57.70 52.99 1sie n MET 341 Cb 0.46 -2.35 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1sie n MET 341 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1sie n GLU 342 N 0.54 0.00 0.00 0.03 0.00 -1.26 -4.98 120.64 114.96 1sie n GLU 342 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.69 1sie n GLU 342 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1sie n GLU 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sie n GLY 343 N -1.61 0.15 0.00 8.31 0.00 -1.26 -4.18 105.19 106.61 1sie n GLY 343 Ca 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.22 1sie n GLY 343 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sie n GLU 344 N 0.00 2.28 -1.86 1.61 0.00 -1.26 -4.50 120.64 116.90 1sie n GLU 344 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 57.16 57.02 1sie n GLU 344 Cb 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 31.44 30.41 1sie n GLU 344 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1sie n ASN 345 N -1.49 3.19 -4.67 4.31 3.02 -1.26 -5.06 115.26 113.30 1sie n ASN 345 Ca 0.00 -3.25 -0.47 0.00 -0.03 0.00 0.00 54.58 50.83 1sie n ASN 345 Cb 0.21 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1sie n ASN 345 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sie n THR 346 N -0.66 0.12 1.57 3.41 -1.04 -1.25 -4.78 114.28 111.64 1sie n THR 346 Ca 0.27 -0.02 0.01 0.00 -2.04 0.00 0.00 64.05 62.27 1sie n THR 346 Cb 0.89 -1.55 0.03 0.00 -1.82 0.00 0.00 70.33 67.89 1sie n THR 346 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sie n GLN 347 N 4.00 1.18 -2.90 -2.82 1.13 -0.82 -4.62 117.38 112.53 1sie n GLN 347 Ca 0.18 -0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 54.59 1sie n GLN 347 Cb 0.28 -1.18 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 1sie n GLN 347 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sie s VAL 348 N -1.72 4.70 -0.59 5.09 1.01 -1.26 -4.90 120.40 122.73 1sie s VAL 348 Ca 0.04 1.05 0.23 0.00 0.00 0.00 0.00 61.98 63.30 1sie s VAL 348 Cb 0.02 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1sie s VAL 348 CO 0.02 -0.43 1.08 -0.62 0.00 0.00 0.00 175.10 175.15 1sie n GLU 349 N 6.48 0.31 -3.64 2.72 1.02 -1.26 -5.01 120.64 121.26 1sie n GLU 349 Ca 0.04 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1sie n GLU 349 Cb 0.48 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 1sie n GLU 349 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sie s GLU 350 N -3.21 0.03 -0.02 3.49 2.12 -1.26 -5.16 118.70 114.69 1sie s GLU 350 Ca 0.04 -0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.20 1sie s GLU 350 Cb 0.14 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.57 1sie s GLU 350 CO 0.79 -0.01 0.34 0.08 -0.54 0.00 0.00 175.26 175.91 1sie s VAL 351 N -1.96 0.05 0.05 3.70 1.01 -1.26 -5.17 120.40 116.82 1sie s VAL 351 Ca 0.12 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 1sie s VAL 351 Cb -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.78 1sie s VAL 351 CO -0.03 -0.23 0.44 0.00 0.00 0.00 0.00 175.10 175.28 1sie s ARG 352 N -1.25 0.96 -0.02 2.72 1.70 -1.26 -5.14 118.95 116.65 1sie s ARG 352 Ca -0.13 -0.35 -0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1sie s ARG 352 Cb -0.05 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1sie s ARG 352 CO 0.04 -0.34 0.03 0.08 -1.08 0.00 0.00 175.30 174.04 1sie s VAL 353 N -2.54 -0.05 0.31 4.99 1.01 -1.26 -5.13 120.40 117.74 1sie s VAL 353 Ca -0.05 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1sie s VAL 353 Cb -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.21 1sie s VAL 353 CO -0.03 0.11 -0.13 -0.31 0.00 0.00 0.00 175.10 174.75 1sie s TYR 354 N 1.28 2.30 0.00 5.22 1.51 -1.26 -5.01 117.35 121.40 1sie s TYR 354 Ca -0.06 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1sie s TYR 354 Cb -0.13 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1sie s TYR 354 CO -0.03 0.60 0.00 -3.47 -1.11 0.00 0.00 175.55 171.54 1sie n ASP 355 N -0.70 0.00 -1.40 2.29 2.03 -1.26 -5.15 116.55 112.36 1sie n ASP 355 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1sie n ASP 355 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1sie n ASP 355 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sie n GLY 356 N -0.37 1.13 2.89 0.27 0.00 -1.26 -5.11 105.19 102.74 1sie n GLY 356 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1sie n GLY 356 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sie s THR 357 N 1.38 -0.63 0.34 2.61 2.01 -1.26 -5.14 115.64 114.94 1sie s THR 357 Ca 0.00 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1sie s THR 357 Cb 0.00 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1sie s THR 357 CO 0.00 -0.33 0.47 -1.83 -0.69 0.00 0.00 174.62 172.25 1sie s GLU 358 N 1.34 3.13 0.27 4.92 -1.05 -1.26 -5.05 118.70 121.01 1sie s GLU 358 Ca 0.21 -0.97 -0.28 0.00 -0.15 0.00 0.00 54.97 53.77 1sie s GLU 358 Cb -0.07 -2.81 -0.09 0.00 -0.44 0.00 0.00 34.13 30.72 1sie s GLU 358 CO -0.06 0.06 0.94 -2.14 0.95 0.00 0.00 175.26 175.01 1sie s PRO 359 N -4.18 4.75 -0.19 -4.83 0.02 -1.26 -4.84 135.00 124.46 1sie s PRO 359 Ca 0.45 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.81 1sie s PRO 359 Cb -0.10 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1sie s PRO 359 CO 0.31 0.43 0.55 1.33 -0.33 0.00 0.00 177.00 179.29 1sie n VAL 360 N 1.12 0.00 -2.29 3.83 0.24 -1.26 -4.84 118.33 115.13 1sie n VAL 360 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1sie n VAL 360 Cb 0.48 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 1sie n VAL 360 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1sie s PRO 361 N 1.78 4.49 0.09 7.34 0.04 -1.26 -4.96 135.00 142.52 1sie s PRO 361 Ca 0.28 2.01 -0.34 0.00 0.04 0.00 0.00 61.00 62.99 1sie s PRO 361 Cb -0.28 -3.14 -0.16 0.00 0.04 0.00 0.00 34.50 30.96 1sie s PRO 361 CO 0.11 -0.01 1.53 0.78 0.04 0.00 0.00 177.00 179.45 1sie h GLY 362 N 3.83 -1.22 -5.80 0.56 0.00 -2.05 -3.38 103.07 95.01 1sie h GLY 362 Ca -0.47 0.61 -0.59 0.00 0.00 0.00 0.00 47.33 46.88 1sie h GLY 362 CO 0.67 -0.33 0.27 -0.35 0.00 0.00 0.00 176.54 176.80 1sie s ASP 363 N -4.40 6.79 -0.01 0.19 -1.08 -1.26 -4.91 116.67 111.98 1sie s ASP 363 Ca -0.17 0.97 -0.08 0.00 -0.52 0.00 0.00 52.55 52.75 1sie s ASP 363 Cb 0.05 -2.40 -0.30 0.00 -1.46 0.00 0.00 42.92 38.81 1sie s ASP 363 CO 0.58 -0.36 0.80 1.55 0.52 0.00 0.00 175.17 178.26 1sie h PRO 364 N 7.50 0.34 -0.96 4.34 0.13 -2.01 -3.26 132.00 138.07 1sie h PRO 364 Ca -0.29 -0.59 -0.09 0.00 -0.87 0.00 0.00 66.00 64.16 1sie h PRO 364 Cb 1.13 0.22 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1sie h PRO 364 CO 0.81 1.24 0.12 -3.47 -0.23 0.00 0.00 178.00 176.47 1sie n ASP 365 N -3.54 2.91 -4.82 1.44 2.03 -1.26 -4.85 116.55 108.45 1sie n ASP 365 Ca -0.20 -2.37 -0.32 0.00 0.52 0.00 0.00 54.79 52.41 1sie n ASP 365 Cb 1.06 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 1sie n ASP 365 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1sie s MET 366 N -1.07 3.63 0.30 -0.67 -2.45 -1.23 -5.07 119.30 112.74 1sie s MET 366 Ca 0.15 1.08 0.09 0.00 -1.25 0.00 0.00 55.69 55.76 1sie s MET 366 Cb 0.12 -2.08 -0.05 0.00 1.25 0.00 0.00 34.83 34.07 1sie s MET 366 CO 0.03 -0.54 0.03 0.99 1.05 0.00 0.00 175.02 176.58 1sie s THR 367 N -2.54 3.14 -0.19 10.11 2.01 -1.23 -5.01 115.64 121.94 1sie s THR 367 Ca 0.61 -1.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.59 1sie s THR 367 Cb -0.13 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.59 1sie s THR 367 CO 0.34 -0.29 0.47 -0.60 -0.69 0.00 0.00 174.62 173.85 1sie s ARG 368 N -3.72 0.50 -0.09 4.92 3.52 -1.26 -2.08 118.95 120.76 1sie s ARG 368 Ca 0.34 0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 56.67 1sie s ARG 368 Cb -0.04 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.53 1sie s ARG 368 CO 0.20 -0.11 0.18 -0.47 -0.81 0.00 0.00 175.30 174.29 1sie s TYR 369 N 0.88 -0.22 -1.19 5.12 6.14 -0.89 -4.95 117.35 122.25 1sie s TYR 369 Ca -0.05 0.63 -0.13 0.00 0.64 0.00 0.00 57.07 58.16 1sie s TYR 369 Cb -0.06 -0.13 0.18 0.00 0.42 0.00 0.00 41.96 42.37 1sie s TYR 369 CO -0.07 -0.24 1.38 0.08 0.64 0.00 0.00 175.55 177.34 1sie s VAL 370 N 1.79 5.14 0.00 3.14 1.01 -1.26 -0.52 120.40 129.69 1sie s VAL 370 Ca -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.26 1sie s VAL 370 Cb -0.12 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1sie s VAL 370 CO -0.06 -1.57 0.31 0.47 0.00 0.00 0.00 175.10 174.25 1sie n ASP 371 N 5.34 0.00 -0.08 3.32 8.00 -1.23 -4.54 116.55 127.35 1sie n ASP 371 Ca 0.35 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1sie n ASP 371 Cb 0.43 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1sie n ASP 371 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1sie n ARG 372 N -1.21 0.00 0.00 -1.24 1.85 -1.26 -5.05 116.66 109.75 1sie n ARG 372 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1sie n ARG 372 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1sie n ARG 372 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1sie n PHE 373 N 0.00 0.00 -3.61 2.89 3.72 -1.26 -5.14 117.46 114.06 1sie n PHE 373 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1sie n PHE 373 Cb 0.43 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1sie n PHE 373 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1sie s GLY 374 N -0.64 2.16 0.04 1.37 0.00 -1.26 -5.05 107.32 103.94 1sie s GLY 374 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.53 1sie s GLY 374 CO 0.00 -1.72 1.14 -1.59 0.00 0.00 0.00 173.10 170.92 1sie s LYS 375 N -4.13 4.46 0.15 2.90 -2.85 -1.26 -3.50 119.74 115.52 1sie s LYS 375 Ca 0.47 1.66 0.09 0.00 -1.00 0.00 0.00 55.97 57.19 1sie s LYS 375 Cb -0.03 -3.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 1sie s LYS 375 CO 0.27 -0.21 -0.11 0.95 0.10 0.00 0.00 175.35 176.35 1sie s THR 376 N 1.11 3.16 -0.11 3.79 -4.23 0.32 -4.92 115.64 114.75 1sie s THR 376 Ca 0.57 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1sie s THR 376 Cb -0.27 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 1sie s THR 376 CO 0.28 -0.03 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.69 1sie s LYS 377 N -2.58 3.23 -0.02 3.99 1.02 -1.26 -2.09 119.74 122.04 1sie s LYS 377 Ca 0.23 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1sie s LYS 377 Cb -0.10 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1sie s LYS 377 CO 0.14 0.34 -0.16 0.99 -0.92 0.00 0.00 175.35 175.75 1sie s THR 378 N 0.03 1.25 0.00 2.17 2.01 -0.88 -5.00 115.64 115.22 1sie s THR 378 Ca -0.03 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1sie s THR 378 Cb -0.14 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1sie s THR 378 CO 0.04 0.36 0.00 1.33 -0.69 0.00 0.00 174.62 175.65 1sie n VAL 379 N 2.78 0.00 -3.85 3.82 0.24 -1.26 -3.58 118.33 116.49 1sie n VAL 379 Ca -0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1sie n VAL 379 Cb 0.54 -0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 32.09 1sie n VAL 379 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1sie s PHE 380 N 0.00 -0.05 0.00 6.34 0.40 -1.26 -4.87 117.98 118.54 1sie s PHE 380 Ca 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1sie s PHE 380 Cb 0.00 -0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.53 1sie s PHE 380 CO 0.00 -0.19 0.00 -2.30 0.70 0.00 0.00 175.22 173.43 1sie n PRO 381 N 2.20 0.00 0.00 0.24 -0.02 -1.26 -3.88 135.00 132.28 1sie n PRO 381 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1sie n PRO 381 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1sie n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sie n GLY 382 N 0.00 0.50 0.69 -1.23 0.00 -1.26 -5.38 105.19 98.51 1sie n GLY 382 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1sie n GLY 382 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48