#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwm s VAL 2 N 0.00 0.63 0.22 1.12 0.11 -1.26 -5.13 120.40 116.08 1cwm s VAL 2 Ca 0.00 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.06 1cwm s VAL 2 Cb 0.00 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1cwm s VAL 2 CO 0.00 -0.07 1.13 0.20 -3.33 0.00 0.00 175.10 173.03 1cwm s ASN 3 N -0.84 7.21 0.46 3.54 0.02 -1.26 -4.99 114.94 119.08 1cwm s ASN 3 Ca -0.02 2.20 -0.23 0.00 -1.02 0.00 0.00 52.86 53.79 1cwm s ASN 3 Cb -0.06 -2.61 -0.07 0.00 0.02 0.00 0.00 41.25 38.52 1cwm s ASN 3 CO 0.00 -0.24 1.21 -2.16 0.02 0.00 0.00 177.10 175.94 1cwm s PRO 4 N -0.73 3.73 -0.12 -0.60 0.04 -1.25 -4.81 135.00 131.26 1cwm s PRO 4 Ca 0.49 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 1cwm s PRO 4 Cb -0.31 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1cwm s PRO 4 CO 0.38 -0.61 -0.11 0.99 0.04 0.00 0.00 177.00 177.69 1cwm s THR 5 N -1.45 3.29 0.34 1.26 2.01 -1.26 -1.16 115.64 118.68 1cwm s THR 5 Ca 0.63 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1cwm s THR 5 Cb -0.32 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 1cwm s THR 5 CO 0.39 0.53 0.00 0.68 -0.69 0.00 0.00 174.62 175.54 1cwm s VAL 6 N 0.12 1.63 0.05 3.82 -7.23 -0.66 -0.53 120.40 117.60 1cwm s VAL 6 Ca -0.05 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1cwm s VAL 6 Cb -0.14 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1cwm s VAL 6 CO 0.04 -0.09 -0.04 0.72 -0.31 0.00 0.00 175.10 175.42 1cwm s PHE 7 N -3.00 0.52 -0.02 2.82 -0.12 -0.44 -0.93 117.98 116.81 1cwm s PHE 7 Ca 0.34 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 56.45 1cwm s PHE 7 Cb 0.07 -0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.10 1cwm s PHE 7 CO 0.15 -0.25 -0.17 -0.06 -0.05 0.00 0.00 175.22 174.85 1cwm s PHE 8 N -2.84 1.54 -0.22 3.49 0.08 -0.21 -2.43 117.98 117.38 1cwm s PHE 8 Ca -0.01 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.64 1cwm s PHE 8 Cb 0.00 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1cwm s PHE 8 CO -0.05 -0.05 0.09 -0.51 -0.10 0.00 0.00 175.22 174.60 1cwm s ASP 9 N -0.31 5.60 -0.01 1.36 1.01 0.91 -1.35 116.67 123.88 1cwm s ASP 9 Ca 0.05 -0.01 -0.09 0.00 0.71 0.00 0.00 52.55 53.21 1cwm s ASP 9 Cb -0.07 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 1cwm s ASP 9 CO -0.00 0.07 0.29 -0.63 0.21 0.00 0.00 175.17 175.11 1cwm s ILE 10 N 1.00 5.26 0.11 0.77 -1.09 -0.22 -0.55 121.20 126.49 1cwm s ILE 10 Ca 0.05 0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.87 1cwm s ILE 10 Cb -0.14 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1cwm s ILE 10 CO 0.03 0.44 -0.15 0.00 -1.23 0.00 0.00 174.94 174.04 1cwm s ALA 11 N -1.22 1.51 -0.24 9.38 0.00 -0.39 -0.54 121.76 130.26 1cwm s ALA 11 Ca 0.25 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1cwm s ALA 11 Cb -0.14 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1cwm s ALA 11 CO 0.14 0.15 -0.09 0.08 0.00 0.00 0.00 175.76 176.04 1cwm s VAL 12 N -1.88 1.80 -1.54 0.00 1.01 0.12 -1.26 120.40 118.64 1cwm s VAL 12 Ca 0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 1cwm s VAL 12 Cb -0.06 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.40 1cwm s VAL 12 CO 0.03 -0.01 0.32 0.47 0.00 0.00 0.00 175.10 175.92 1cwm n ASP 13 N 4.59 -0.36 0.00 3.32 8.00 0.27 -0.78 116.55 131.58 1cwm n ASP 13 Ca -0.13 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1cwm n ASP 13 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 1cwm n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cwm n GLY 14 N -2.06 1.83 3.66 0.44 0.00 -1.26 -4.99 105.19 102.80 1cwm n GLY 14 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1cwm n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cwm s GLU 15 N -0.05 4.22 0.19 1.61 0.41 0.04 -5.00 118.70 120.11 1cwm s GLU 15 Ca 0.00 0.70 -0.32 0.00 -0.41 0.00 0.00 54.97 54.94 1cwm s GLU 15 Cb 0.00 -3.59 -0.11 0.00 -1.78 0.00 0.00 34.13 28.65 1cwm s GLU 15 CO 0.00 -0.29 1.67 -2.14 -0.49 0.00 0.00 175.26 174.01 1cwm s PRO 16 N 2.06 4.16 -0.21 0.39 0.02 -1.26 0.11 135.00 140.27 1cwm s PRO 16 Ca 0.30 2.51 -0.16 0.00 0.02 0.00 0.00 61.00 63.67 1cwm s PRO 16 Cb -0.16 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 1cwm s PRO 16 CO 0.10 -0.70 -0.31 -0.11 -0.33 0.00 0.00 177.00 175.66 1cwm n LEU 17 N 4.03 1.93 0.00 -5.54 7.94 0.29 -4.86 117.00 120.79 1cwm n LEU 17 Ca 0.15 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1cwm n LEU 17 Cb 0.37 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1cwm n LEU 17 CO 0.63 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.50 1cwm n GLY 18 N 1.41 -2.09 3.74 -3.96 0.00 -1.20 -5.00 105.19 98.09 1cwm n GLY 18 Ca -0.26 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 1cwm n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cwm s ARG 19 N -1.84 3.31 -0.06 1.61 3.52 -1.26 -1.05 118.95 123.19 1cwm s ARG 19 Ca 0.00 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1cwm s ARG 19 Cb 0.00 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1cwm s ARG 19 CO 0.00 0.65 -0.22 0.08 -0.81 0.00 0.00 175.30 175.00 1cwm s VAL 20 N -0.71 2.32 0.14 7.11 1.01 -0.46 -4.34 120.40 125.48 1cwm s VAL 20 Ca 0.12 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1cwm s VAL 20 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1cwm s VAL 20 CO 0.02 0.57 -0.21 -0.94 0.00 0.00 0.00 175.10 174.55 1cwm s SER 21 N -0.30 2.76 0.02 3.32 1.04 -0.17 -1.05 113.70 119.33 1cwm s SER 21 Ca 0.01 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.70 1cwm s SER 21 Cb -0.13 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1cwm s SER 21 CO 0.02 0.04 -0.14 -0.36 0.98 0.00 0.00 173.24 173.78 1cwm s PHE 22 N -1.55 1.24 -0.13 5.02 0.08 -0.11 -0.10 117.98 122.43 1cwm s PHE 22 Ca 0.12 -0.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 1cwm s PHE 22 Cb -0.08 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 1cwm s PHE 22 CO 0.06 0.02 0.29 -2.00 -0.10 0.00 0.00 175.22 173.49 1cwm s GLU 23 N -0.84 4.08 -0.14 0.44 2.12 -0.21 -1.65 118.70 122.51 1cwm s GLU 23 Ca 0.03 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 1cwm s GLU 23 Cb -0.07 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1cwm s GLU 23 CO 0.01 0.39 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.58 1cwm s LEU 24 N -0.02 3.29 -1.34 2.70 1.43 -0.31 -1.23 118.68 123.21 1cwm s LEU 24 Ca 0.18 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1cwm s LEU 24 Cb -0.13 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.44 1cwm s LEU 24 CO 0.06 0.22 1.99 0.49 0.23 0.00 0.00 176.35 179.33 1cwm n PHE 25 N 3.18 3.13 0.33 0.29 3.72 0.02 -3.92 117.46 124.21 1cwm n PHE 25 Ca -0.18 -2.85 0.15 0.00 -0.05 0.00 0.00 57.45 54.52 1cwm n PHE 25 Cb 0.53 -2.14 0.64 0.00 -0.94 0.00 0.00 39.48 37.56 1cwm n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cwm h ALA 26 N 5.83 1.00 0.00 4.37 0.00 -1.84 0.09 119.26 128.70 1cwm h ALA 26 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1cwm h ALA 26 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cwm h ALA 26 CO 1.71 0.00 -0.02 0.38 0.00 0.00 0.00 179.25 181.32 1cwm h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.95 -2.84 116.42 113.66 1cwm h ASP 27 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1cwm h ASP 27 Cb 0.35 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.81 1cwm h ASP 27 CO 0.00 0.02 -1.72 0.29 -1.03 0.00 0.00 179.24 176.80 1cwm n LYS 28 N -3.11 1.16 -3.26 4.15 5.02 -0.61 -4.81 118.16 116.71 1cwm n LYS 28 Ca 0.03 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.11 1cwm n LYS 28 Cb 0.47 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1cwm n LYS 28 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1cwm n VAL 29 N -2.67 1.01 -0.21 -0.18 0.24 -0.08 -4.96 118.33 111.48 1cwm n VAL 29 Ca -0.20 -4.73 0.01 0.00 -2.04 0.00 0.00 64.34 57.38 1cwm n VAL 29 Cb 0.78 -1.78 0.12 0.00 -1.47 0.00 0.00 33.84 31.49 1cwm n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1cwm h PRO 30 N 3.86 0.33 -0.40 7.34 0.13 -1.69 -1.16 132.00 140.42 1cwm h PRO 30 Ca 0.13 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1cwm h PRO 30 Cb 0.76 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1cwm h PRO 30 CO 0.66 0.22 -0.32 -0.22 -0.23 0.00 0.00 178.00 178.10 1cwm h LYS 31 N 0.34 0.92 -0.33 0.86 3.64 -1.94 -0.17 116.57 119.89 1cwm h LYS 31 Ca 0.33 -0.46 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1cwm h LYS 31 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1cwm h LYS 31 CO -0.37 1.12 -0.32 1.15 -2.27 0.00 0.00 179.45 178.75 1cwm h THR 32 N 0.74 1.29 -0.37 1.00 2.02 -1.87 -1.81 112.91 113.90 1cwm h THR 32 Ca 0.07 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1cwm h THR 32 Cb 0.91 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1cwm h THR 32 CO 0.08 0.49 0.16 0.00 0.37 0.00 0.00 175.52 176.62 1cwm h ALA 33 N 0.74 0.48 -0.37 6.16 0.00 -1.18 -2.62 119.26 122.46 1cwm h ALA 33 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1cwm h ALA 33 Cb 0.90 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1cwm h ALA 33 CO 0.08 0.07 0.21 1.49 0.00 0.00 0.00 179.25 181.11 1cwm h GLU 34 N 0.46 0.42 -0.55 0.00 4.57 -0.91 0.16 114.58 118.73 1cwm h GLU 34 Ca 0.13 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.39 1cwm h GLU 34 Cb 0.16 -0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.57 1cwm h GLU 34 CO -0.01 0.28 0.01 -0.97 -1.18 0.00 0.00 179.01 177.14 1cwm h ASN 35 N 0.44 -0.21 0.15 1.04 -1.24 -1.28 -0.49 115.58 113.99 1cwm h ASN 35 Ca 0.15 0.13 -0.18 0.00 0.71 0.00 0.00 56.30 57.11 1cwm h ASN 35 Cb 0.01 0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 1cwm h ASN 35 CO -0.07 -0.08 -0.68 0.15 -1.29 0.00 0.00 177.43 175.46 1cwm h PHE 36 N 0.13 0.65 0.04 0.67 3.04 -1.02 -2.02 116.94 118.43 1cwm h PHE 36 Ca 0.28 -0.27 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1cwm h PHE 36 Cb 0.43 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1cwm h PHE 36 CO -0.32 1.03 -0.02 -0.09 -2.02 0.00 0.00 178.31 176.88 1cwm h ARG 37 N 0.35 -0.05 -0.14 1.11 2.43 -0.43 -1.85 114.38 115.79 1cwm h ARG 37 Ca -0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1cwm h ARG 37 Cb 1.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1cwm h ARG 37 CO 0.12 0.09 -0.31 0.00 -1.51 0.00 0.00 179.97 178.36 1cwm h ALA 38 N 0.77 1.22 0.00 2.80 0.00 -1.07 -1.65 119.26 121.33 1cwm h ALA 38 Ca -0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1cwm h ALA 38 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1cwm h ALA 38 CO 0.01 0.52 -0.38 -0.07 0.00 0.00 0.00 179.25 179.33 1cwm h LEU 39 N 0.23 0.00 -0.12 0.00 3.38 -1.27 -1.42 115.31 116.11 1cwm h LEU 39 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 1cwm h LEU 39 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1cwm h LEU 39 CO 0.05 0.38 -1.00 0.28 0.09 0.00 0.00 178.44 178.24 1cwm h SER 40 N 0.00 0.29 1.67 -0.43 0.02 -0.67 -1.97 113.55 112.46 1cwm h SER 40 Ca -0.00 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1cwm h SER 40 Cb 0.81 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1cwm h SER 40 CO 0.05 1.12 -0.33 0.71 -1.14 0.00 0.00 176.83 177.24 1cwm h THR 41 N 0.10 0.06 0.00 -2.27 1.35 -1.19 -3.18 112.91 107.78 1cwm h THR 41 Ca -0.07 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1cwm h THR 41 Cb 1.67 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1cwm h THR 41 CO 0.16 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1cwm n GLY 42 N 1.13 0.44 0.28 5.82 0.00 -0.55 -4.93 105.19 107.39 1cwm n GLY 42 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1cwm n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1cwm h GLU 43 N 0.93 0.00 -0.08 1.61 4.11 -1.80 -1.02 114.58 118.34 1cwm h GLU 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1cwm h GLU 43 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1cwm h GLU 43 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1cwm n LYS 44 N -2.84 1.65 -0.12 1.06 4.76 -1.26 -4.90 118.16 116.50 1cwm n LYS 44 Ca -0.02 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 1cwm n LYS 44 Cb 0.11 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1cwm n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cwm n GLY 45 N 1.14 0.78 3.49 0.72 0.00 -0.39 -5.05 105.19 105.89 1cwm n GLY 45 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1cwm n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cwm s PHE 46 N -2.10 -0.33 -2.78 1.61 -0.71 -1.24 -5.11 117.98 107.31 1cwm s PHE 46 Ca 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 1cwm s PHE 46 Cb 0.00 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 1cwm s PHE 46 CO 0.00 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.39 1cwm n GLY 47 N -0.36 -0.60 0.21 1.99 0.00 -1.26 -4.32 105.19 100.85 1cwm n GLY 47 Ca -0.13 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1cwm n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cwm h TYR 48 N 0.00 0.00 -2.43 1.61 0.05 -1.68 -3.45 116.97 111.07 1cwm h TYR 48 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1cwm h TYR 48 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 1cwm h TYR 48 CO 0.00 0.07 1.00 1.17 -1.05 0.00 0.00 178.16 179.35 1cwm n LYS 49 N -3.12 2.55 -0.57 4.88 4.81 -1.26 -0.51 118.16 124.93 1cwm n LYS 49 Ca 0.04 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1cwm n LYS 49 Cb 0.55 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1cwm n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cwm n GLY 50 N 3.95 1.32 3.97 3.14 0.00 0.14 -5.03 105.19 112.68 1cwm n GLY 50 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1cwm n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwm s SER 51 N -3.17 4.56 0.30 1.61 1.04 0.33 -4.72 113.70 113.66 1cwm s SER 51 Ca 0.00 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.49 1cwm s SER 51 Cb 0.00 -0.50 -0.06 0.00 0.10 0.00 0.00 66.02 65.56 1cwm s SER 51 CO 0.00 -1.71 -0.11 0.00 0.98 0.00 0.00 173.24 172.40 1cwm s PHE 53 N -2.71 2.88 -0.99 0.00 0.40 -0.77 -3.92 117.98 112.86 1cwm s PHE 53 Ca 0.30 -0.24 0.25 0.00 -0.60 0.00 0.00 56.93 56.64 1cwm s PHE 53 Cb 0.01 -3.89 0.46 0.00 0.51 0.00 0.00 43.02 40.11 1cwm s PHE 53 CO 0.14 -1.25 1.38 -2.39 0.70 0.00 0.00 175.22 173.80 1cwm n HIS 54 N 6.99 0.01 -3.61 0.36 1.44 -0.87 -4.62 115.22 114.93 1cwm n HIS 54 Ca -0.02 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.54 1cwm n HIS 54 Cb 0.47 -0.25 -0.13 0.00 0.12 0.00 0.00 29.99 30.19 1cwm n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1cwm s ARG 55 N -3.01 0.14 -0.07 -1.40 3.52 -1.20 -4.64 118.95 112.29 1cwm s ARG 55 Ca 0.11 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.26 1cwm s ARG 55 Cb 0.17 -0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.16 1cwm s ARG 55 CO 0.71 -0.40 -0.04 0.42 -0.81 0.00 0.00 175.30 175.18 1cwm s ILE 56 N 2.37 0.63 -0.27 4.11 1.01 -0.12 -0.57 121.20 128.36 1cwm s ILE 56 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1cwm s ILE 56 Cb -0.13 -0.69 0.07 0.00 0.01 0.00 0.00 42.46 41.72 1cwm s ILE 56 CO -0.09 0.28 -0.07 -0.63 0.00 0.00 0.00 174.94 174.43 1cwm s ILE 57 N 1.46 2.06 0.14 2.92 1.01 -0.59 -2.12 121.20 126.08 1cwm s ILE 57 Ca -0.02 -1.68 -0.34 0.00 0.00 0.00 0.00 60.65 58.61 1cwm s ILE 57 Cb -0.13 -2.25 -0.16 0.00 0.01 0.00 0.00 42.46 39.92 1cwm s ILE 57 CO -0.03 -0.14 1.18 -2.65 0.00 0.00 0.00 174.94 173.30 1cwm n PRO 58 N 4.45 1.06 -0.32 2.79 -0.02 -1.26 -1.32 135.00 140.38 1cwm n PRO 58 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1cwm n PRO 58 Cb 0.42 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1cwm n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwm n GLY 59 N 2.11 2.23 0.21 -1.23 0.00 -1.26 -4.83 105.19 102.41 1cwm n GLY 59 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1cwm n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1cwm n PHE 60 N -2.00 0.00 -3.76 1.61 7.35 -0.43 -4.39 117.46 115.84 1cwm n PHE 60 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1cwm n PHE 60 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1cwm n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1cwm s MET 61 N -0.22 1.17 -0.15 -4.13 0.23 -0.93 -0.99 119.30 114.28 1cwm s MET 61 Ca 0.00 -0.66 0.01 0.00 -1.03 0.00 0.00 55.69 54.01 1cwm s MET 61 Cb 0.00 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 1cwm s MET 61 CO 0.00 -0.54 -0.17 0.00 -2.03 0.00 0.00 175.02 172.28 1cwm s GLN 63 N 0.85 3.08 0.00 0.00 0.74 0.26 -0.28 119.66 124.32 1cwm s GLN 63 Ca -0.05 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1cwm s GLN 63 Cb -0.15 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.29 1cwm s GLN 63 CO -0.01 0.48 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1cwm n GLY 64 N 2.78 3.45 0.69 2.59 0.00 -0.56 -2.04 105.19 112.09 1cwm n GLY 64 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1cwm n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwm n GLY 65 N 0.00 0.63 3.45 -0.02 0.00 -1.25 -1.44 105.19 106.55 1cwm n GLY 65 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1cwm n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cwm s ASP 66 N -2.87 6.85 0.00 1.61 -1.08 -1.26 -3.96 116.67 115.97 1cwm s ASP 66 Ca 0.00 -2.55 0.27 0.00 -0.52 0.00 0.00 52.55 49.76 1cwm s ASP 66 Cb 0.00 -2.38 0.94 0.00 -1.46 0.00 0.00 42.92 40.02 1cwm s ASP 66 CO 0.00 -0.87 1.72 2.22 0.52 0.00 0.00 175.17 178.75 1cwm n PHE 67 N 5.89 0.00 -0.11 -5.34 1.16 -1.26 -1.01 117.46 116.79 1cwm n PHE 67 Ca 0.29 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.67 1cwm n PHE 67 Cb 0.46 -0.38 -0.09 0.00 -1.61 0.00 0.00 39.48 37.85 1cwm n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1cwm n THR 68 N -1.48 1.51 0.37 1.97 -2.24 -1.26 -4.66 114.28 108.50 1cwm n THR 68 Ca 0.07 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1cwm n THR 68 Cb 0.34 -2.08 -0.15 0.00 -2.10 0.00 0.00 70.33 66.33 1cwm n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1cwm n ARG 69 N -4.42 0.42 -1.82 -0.78 5.12 -1.26 -4.96 116.66 108.96 1cwm n ARG 69 Ca -0.32 -0.12 -0.20 0.00 -1.93 0.00 0.00 57.85 55.27 1cwm n ARG 69 Cb 0.65 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 30.38 1cwm n ARG 69 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1cwm n HIS 70 N -1.97 -0.34 -1.16 -1.55 8.25 -0.18 -4.80 115.22 113.47 1cwm n HIS 70 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1cwm n HIS 70 Cb 0.48 -3.53 0.00 0.00 1.12 0.00 0.00 29.99 28.05 1cwm n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cwm n ASN 71 N -1.50 0.00 0.00 0.41 6.94 -1.26 -4.83 115.26 115.02 1cwm n ASN 71 Ca -0.21 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 1cwm n ASN 71 Cb 0.67 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1cwm n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cwm n GLY 72 N 0.00 3.26 0.15 4.83 0.00 -1.26 -4.92 105.19 107.24 1cwm n GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1cwm n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cwm n THR 73 N -2.00 0.00 -0.83 2.61 -2.24 -1.26 -4.99 114.28 105.57 1cwm n THR 73 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1cwm n THR 73 Cb 0.00 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1cwm n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwm n GLY 74 N 1.41 5.21 0.00 3.38 0.00 -1.26 -4.96 105.19 108.98 1cwm n GLY 74 Ca 0.09 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1cwm n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwm n GLY 75 N 4.22 -1.76 3.42 -0.02 0.00 -1.26 -4.75 105.19 105.03 1cwm n GLY 75 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1cwm n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwm s LYS 76 N -2.59 1.15 0.92 1.61 -2.85 -1.26 -4.65 119.74 112.07 1cwm s LYS 76 Ca 0.00 -0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 54.53 1cwm s LYS 76 Cb 0.00 0.53 0.19 0.00 -2.06 0.00 0.00 37.83 36.49 1cwm s LYS 76 CO 0.00 -0.45 1.26 -1.54 0.10 0.00 0.00 175.35 174.72 1cwm s SER 77 N -2.28 3.28 0.00 0.03 1.04 -0.95 -3.90 113.70 110.92 1cwm s SER 77 Ca -0.03 0.08 0.31 0.00 0.48 0.00 0.00 55.95 56.80 1cwm s SER 77 Cb -0.00 -0.16 1.72 0.00 0.10 0.00 0.00 66.02 67.68 1cwm s SER 77 CO -0.06 -2.61 2.12 2.30 0.98 0.00 0.00 173.24 175.97 1cwm n ILE 78 N -3.60 0.00 0.71 -1.02 -5.35 -1.26 -3.46 119.36 105.38 1cwm n ILE 78 Ca 0.16 -0.05 0.08 0.00 -0.27 0.00 0.00 62.75 62.67 1cwm n ILE 78 Cb 0.60 -0.29 0.05 0.00 -1.74 0.00 0.00 39.64 38.26 1cwm n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1cwm n TYR 79 N -0.75 0.00 0.00 4.28 4.01 -1.26 -5.08 117.16 118.36 1cwm n TYR 79 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1cwm n TYR 79 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1cwm n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cwm n GLY 80 N 1.01 0.60 0.28 2.72 0.00 -1.23 -4.92 105.19 103.66 1cwm n GLY 80 Ca 0.09 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 1cwm n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cwm h GLU 81 N 8.48 0.74 -3.95 1.61 4.22 -1.95 -2.51 114.58 121.22 1cwm h GLU 81 Ca 0.00 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1cwm h GLU 81 Cb 0.00 -0.17 -0.16 0.00 0.50 0.00 0.00 28.75 28.92 1cwm h GLU 81 CO 0.00 0.49 -0.54 0.15 -2.18 0.00 0.00 179.01 176.93 1cwm s LYS 82 N -6.08 0.65 0.15 1.92 1.02 -1.26 -2.72 119.74 113.44 1cwm s LYS 82 Ca -0.13 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.85 1cwm s LYS 82 Cb 0.17 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1cwm s LYS 82 CO 0.77 -0.16 0.21 -0.59 -0.92 0.00 0.00 175.35 174.65 1cwm s PHE 83 N -3.33 0.56 0.89 3.18 -0.71 0.44 -4.90 117.98 114.12 1cwm s PHE 83 Ca 0.01 -0.93 -0.11 0.00 -1.04 0.00 0.00 56.93 54.86 1cwm s PHE 83 Cb 0.03 -0.21 0.13 0.00 -1.21 0.00 0.00 43.02 41.77 1cwm s PHE 83 CO -0.08 -0.65 1.16 -1.83 -1.34 0.00 0.00 175.22 172.48 1cwm s GLU 84 N -4.00 1.16 -0.48 1.99 1.03 -1.26 -1.54 118.70 115.60 1cwm s GLU 84 Ca 0.20 1.60 -0.29 0.00 0.03 0.00 0.00 54.97 56.51 1cwm s GLU 84 Cb 0.05 -1.74 0.03 0.00 -0.80 0.00 0.00 34.13 31.67 1cwm s GLU 84 CO 0.01 -2.54 1.13 -0.51 -1.33 0.00 0.00 175.26 172.02 1cwm s ASP 85 N -2.55 6.62 0.09 0.83 1.01 -1.26 -4.80 116.67 116.60 1cwm s ASP 85 Ca 0.68 0.43 -0.22 0.00 0.71 0.00 0.00 52.55 54.15 1cwm s ASP 85 Cb -0.24 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.01 1cwm s ASP 85 CO 0.56 -1.26 1.73 -0.08 0.21 0.00 0.00 175.17 176.33 1cwm h GLU 86 N 9.24 0.07 -1.61 8.23 4.81 -2.00 -3.48 114.58 129.84 1cwm h GLU 86 Ca -0.23 -0.01 0.31 0.00 -0.13 0.00 0.00 59.36 59.30 1cwm h GLU 86 Cb 1.06 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.32 1cwm h GLU 86 CO 1.13 0.07 0.80 0.54 -0.73 0.00 0.00 179.01 180.81 1cwm s ASN 87 N -5.26 -0.06 -0.32 1.04 2.20 -1.26 -5.06 114.94 106.22 1cwm s ASN 87 Ca -0.13 -0.18 0.13 0.00 -0.94 0.00 0.00 52.86 51.74 1cwm s ASN 87 Cb 0.06 0.20 0.47 0.00 -2.00 0.00 0.00 41.25 39.98 1cwm s ASN 87 CO 0.67 -0.37 1.11 0.49 -2.94 0.00 0.00 177.10 176.06 1cwm n PHE 88 N -0.53 2.19 -0.31 1.54 3.72 -1.26 -4.71 117.46 118.10 1cwm n PHE 88 Ca -0.07 -2.49 -0.05 0.00 -0.05 0.00 0.00 57.45 54.79 1cwm n PHE 88 Cb 0.62 -0.26 0.07 0.00 -0.94 0.00 0.00 39.48 38.98 1cwm n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1cwm h ILE 89 N 3.36 1.25 -3.11 4.37 2.04 -1.95 -3.45 117.51 120.03 1cwm h ILE 89 Ca 0.13 -0.69 -0.57 0.00 1.00 0.00 0.00 64.86 64.73 1cwm h ILE 89 Cb 1.27 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1cwm h ILE 89 CO 0.57 0.30 -0.31 -0.76 0.00 0.00 0.00 178.15 177.95 1cwm s LEU 90 N -9.86 4.25 0.39 1.44 1.43 -1.26 -5.10 118.68 109.98 1cwm s LEU 90 Ca -0.13 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1cwm s LEU 90 Cb 0.16 -3.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 1cwm s LEU 90 CO 0.83 0.03 0.06 -0.54 0.23 0.00 0.00 176.35 176.96 1cwm s LYS 91 N -2.80 2.07 -1.17 1.70 -0.14 -1.26 -4.46 119.74 113.68 1cwm s LYS 91 Ca 0.41 -1.94 -0.11 0.00 -1.36 0.00 0.00 55.97 52.97 1cwm s LYS 91 Cb -0.12 -1.82 0.23 0.00 -1.68 0.00 0.00 37.83 34.45 1cwm s LYS 91 CO 0.26 -0.03 1.33 0.72 -0.76 0.00 0.00 175.35 176.86 1cwm n HIS 92 N -1.05 4.80 0.78 3.18 8.25 -1.26 -4.81 115.22 125.11 1cwm n HIS 92 Ca -0.03 -3.52 0.12 0.00 -0.26 0.00 0.00 57.72 54.03 1cwm n HIS 92 Cb 0.65 -1.89 0.26 0.00 1.12 0.00 0.00 29.99 30.13 1cwm n HIS 92 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1cwm n THR 93 N 3.40 0.19 -0.16 1.59 -2.24 -1.26 -2.75 114.28 113.05 1cwm n THR 93 Ca 0.30 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1cwm n THR 93 Cb 0.40 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1cwm n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwm n GLY 94 N 1.42 -1.13 3.66 3.38 0.00 -1.26 -4.63 105.19 106.63 1cwm n GLY 94 Ca 0.05 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1cwm n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwm n PRO 95 N -0.02 1.33 0.00 1.61 -0.02 -1.25 -3.58 135.00 133.07 1cwm n PRO 95 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1cwm n PRO 95 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1cwm n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwm n GLY 96 N 1.06 2.80 3.76 -1.23 0.00 0.86 -4.94 105.19 107.50 1cwm n GLY 96 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1cwm n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwm s ILE 97 N -2.68 3.04 -0.23 -0.61 -1.09 -1.23 -0.61 121.20 117.79 1cwm s ILE 97 Ca 0.00 0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 59.30 1cwm s ILE 97 Cb 0.00 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1cwm s ILE 97 CO 0.00 0.20 0.10 -0.22 -1.23 0.00 0.00 174.94 173.79 1cwm s LEU 98 N -1.08 3.79 0.06 2.97 2.96 -0.10 -0.66 118.68 126.62 1cwm s LEU 98 Ca 0.51 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1cwm s LEU 98 Cb -0.37 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1cwm s LEU 98 CO 0.45 0.05 0.05 -0.55 -1.32 0.00 0.00 176.35 175.04 1cwm s SER 99 N 1.12 0.33 -0.10 3.68 0.15 -0.76 -0.99 113.70 117.12 1cwm s SER 99 Ca 0.05 -0.82 -0.24 0.00 0.70 0.00 0.00 55.95 55.64 1cwm s SER 99 Cb -0.14 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1cwm s SER 99 CO 0.04 -0.62 0.73 -0.04 1.20 0.00 0.00 173.24 174.55 1cwm s MET 100 N -3.69 4.39 0.58 5.44 -1.94 -0.56 -0.85 119.30 122.67 1cwm s MET 100 Ca 0.04 0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 54.77 1cwm s MET 100 Cb 0.06 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 1cwm s MET 100 CO -0.09 -0.05 1.05 0.00 -0.01 0.00 0.00 175.02 175.92 1cwm s ALA 101 N 1.19 2.76 0.12 3.03 0.00 -0.64 -4.37 121.76 123.85 1cwm s ALA 101 Ca 0.37 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 1cwm s ALA 101 Cb -0.17 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1cwm s ALA 101 CO 0.17 -0.74 0.22 0.27 0.00 0.00 0.00 175.76 175.67 1cwm n ASN 102 N -1.91 -0.64 -1.25 0.00 2.04 -1.26 -4.61 115.26 107.63 1cwm n ASN 102 Ca 0.09 -1.53 0.03 0.00 -0.44 0.00 0.00 54.58 52.73 1cwm n ASN 102 Cb 0.53 1.09 0.10 0.00 -2.53 0.00 0.00 39.78 38.97 1cwm n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1cwm n ALA 103 N -2.25 3.04 0.00 -2.53 0.00 -1.26 -5.08 120.51 112.43 1cwm n ALA 103 Ca -0.05 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1cwm n ALA 103 Cb 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1cwm n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwm n GLY 104 N -0.28 1.28 3.64 0.00 0.00 -1.26 -4.95 105.19 103.61 1cwm n GLY 104 Ca 0.13 -2.05 -0.48 0.00 0.00 0.00 0.00 46.02 43.62 1cwm n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwm n PRO 105 N -1.65 1.72 -3.61 1.61 -0.02 -1.26 -3.32 135.00 128.47 1cwm n PRO 105 Ca 0.00 0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1cwm n PRO 105 Cb 0.00 -2.31 0.06 0.00 -0.02 0.00 0.00 33.50 31.23 1cwm n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cwm n ASN 106 N 2.88 -3.28 -1.42 2.55 3.02 -1.26 -4.92 115.26 112.83 1cwm n ASN 106 Ca 0.17 -0.67 -0.04 0.00 -0.03 0.00 0.00 54.58 54.00 1cwm n ASN 106 Cb 0.25 -4.65 0.11 0.00 -0.61 0.00 0.00 39.78 34.87 1cwm n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cwm n THR 107 N -4.46 1.86 -2.24 3.41 -2.24 -1.21 -4.51 114.28 104.89 1cwm n THR 107 Ca -0.17 -3.16 -0.42 0.00 -2.27 0.00 0.00 64.05 58.03 1cwm n THR 107 Cb 0.62 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1cwm n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1cwm s ASN 108 N -3.22 6.91 0.00 3.42 0.01 -0.59 -4.39 114.94 117.08 1cwm s ASN 108 Ca 0.40 2.27 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 1cwm s ASN 108 Cb 0.38 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1cwm s ASN 108 CO -0.05 -0.58 0.00 0.61 -1.51 0.00 0.00 177.10 175.58 1cwm n GLY 109 N 3.16 1.60 0.00 0.66 0.00 -1.26 -0.42 105.19 108.93 1cwm n GLY 109 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1cwm n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cwm n SER 110 N 0.00 2.88 -4.74 1.61 3.41 -1.25 -3.71 113.62 111.81 1cwm n SER 110 Ca 0.00 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 1cwm n SER 110 Cb 0.00 1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.93 1cwm n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cwm s GLN 111 N -1.65 4.56 0.19 4.33 -0.21 -1.25 -4.53 119.66 121.10 1cwm s GLN 111 Ca -0.00 1.82 -0.02 0.00 0.02 0.00 0.00 55.36 57.18 1cwm s GLN 111 Cb 0.01 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 1cwm s GLN 111 CO 0.03 0.04 0.15 -0.59 -2.12 0.00 0.00 175.29 172.80 1cwm s PHE 112 N -0.44 1.04 0.02 0.91 -0.12 -0.52 -1.62 117.98 117.24 1cwm s PHE 112 Ca 0.49 -1.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.06 1cwm s PHE 112 Cb -0.32 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.58 1cwm s PHE 112 CO 0.38 -0.66 0.02 -0.59 -0.05 0.00 0.00 175.22 174.32 1cwm s PHE 113 N -4.13 0.22 -0.28 3.49 -0.71 -0.03 -1.49 117.98 115.04 1cwm s PHE 113 Ca 0.35 -0.46 -0.07 0.00 -1.04 0.00 0.00 56.93 55.71 1cwm s PHE 113 Cb 0.06 -0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.71 1cwm s PHE 113 CO 0.10 -0.23 0.08 0.42 -1.34 0.00 0.00 175.22 174.25 1cwm s ILE 114 N -1.63 4.09 0.20 -4.49 1.01 0.62 -1.83 121.20 119.16 1cwm s ILE 114 Ca -0.14 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1cwm s ILE 114 Cb -0.08 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 1cwm s ILE 114 CO -0.01 0.15 1.30 0.00 0.00 0.00 0.00 174.94 176.37 1cwm n THR 116 N 2.63 0.87 -3.78 0.00 -2.24 -0.16 -0.10 114.28 111.51 1cwm n THR 116 Ca 0.06 -0.94 -0.09 0.00 -2.27 0.00 0.00 64.05 60.81 1cwm n THR 116 Cb 0.43 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1cwm n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cwm s ALA 117 N -1.05 -0.80 0.07 6.98 0.00 -1.24 -4.39 121.76 121.34 1cwm s ALA 117 Ca 0.33 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 1cwm s ALA 117 Cb 0.18 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 24.09 1cwm s ALA 117 CO 0.23 -0.80 1.43 0.21 0.00 0.00 0.00 175.76 176.83 1cwm s LYS 118 N -3.89 4.29 -0.53 0.00 2.20 -1.26 -3.92 119.74 116.63 1cwm s LYS 118 Ca 0.11 2.07 0.07 0.00 -0.36 0.00 0.00 55.97 57.86 1cwm s LYS 118 Cb -0.01 -3.39 0.30 0.00 -1.51 0.00 0.00 37.83 33.22 1cwm s LYS 118 CO -0.01 -0.52 0.78 0.25 -0.36 0.00 0.00 175.35 175.49 1cwm n THR 119 N 4.27 1.66 0.31 3.43 -2.24 -1.11 -4.93 114.28 115.67 1cwm n THR 119 Ca 0.13 -5.05 0.20 0.00 -2.27 0.00 0.00 64.05 57.06 1cwm n THR 119 Cb 0.42 -1.45 1.07 0.00 -2.10 0.00 0.00 70.33 68.27 1cwm n THR 119 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1cwm h GLU 120 N 3.47 0.00 0.00 -0.78 9.09 -1.94 -1.97 114.58 122.45 1cwm h GLU 120 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1cwm h GLU 120 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1cwm h GLU 120 CO 0.71 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 177.10 1cwm n TRP 121 N -2.92 0.20 1.03 2.06 2.14 -1.26 -2.09 117.44 116.60 1cwm n TRP 121 Ca -0.03 0.09 0.11 0.00 2.07 0.00 0.00 57.50 59.74 1cwm n TRP 121 Cb 0.10 -0.64 0.04 0.00 -0.81 0.00 0.00 31.31 30.01 1cwm n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1cwm n LEU 122 N -1.69 1.90 -4.75 5.67 4.77 -0.74 -4.89 117.00 117.26 1cwm n LEU 122 Ca 0.02 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.89 1cwm n LEU 122 Cb 0.12 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1cwm n LEU 122 CO 0.10 0.35 1.17 -1.81 -1.33 0.00 0.00 177.39 175.87 1cwm s ASP 123 N -2.49 6.51 0.00 -1.43 1.01 -0.89 -1.45 116.67 117.93 1cwm s ASP 123 Ca 0.19 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.27 1cwm s ASP 123 Cb 0.18 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1cwm s ASP 123 CO 0.57 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1cwm n GLY 124 N 2.03 2.18 0.01 0.21 0.00 -1.26 -4.76 105.19 103.59 1cwm n GLY 124 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1cwm n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cwm n LYS 125 N -2.00 1.85 -4.64 1.61 5.02 -0.53 -5.02 118.16 114.45 1cwm n LYS 125 Ca 0.00 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 1cwm n LYS 125 Cb 0.00 -1.09 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 1cwm n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1cwm s HIS 126 N -2.16 1.54 -0.31 2.13 3.76 -0.84 -4.93 115.29 114.47 1cwm s HIS 126 Ca -0.01 -0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 1cwm s HIS 126 Cb 0.02 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1cwm s HIS 126 CO 0.14 -0.28 1.11 0.08 -0.85 0.00 0.00 174.74 174.94 1cwm s VAL 127 N 0.61 4.47 0.06 -0.90 1.01 -1.26 -4.81 120.40 119.57 1cwm s VAL 127 Ca -0.15 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 1cwm s VAL 127 Cb -0.16 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1cwm s VAL 127 CO 0.04 -0.46 0.94 -0.69 0.00 0.00 0.00 175.10 174.93 1cwm s VAL 128 N 3.71 4.68 0.00 2.92 1.01 -1.26 -1.49 120.40 129.97 1cwm s VAL 128 Ca 0.47 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.45 1cwm s VAL 128 Cb -0.13 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1cwm s VAL 128 CO 0.16 0.26 0.16 2.22 0.00 0.00 0.00 175.10 177.90 1cwm n PHE 129 N 3.25 0.00 -3.67 5.22 -1.74 -0.16 -4.73 117.46 115.62 1cwm n PHE 129 Ca 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.91 1cwm n PHE 129 Cb 0.50 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.51 1cwm n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cwm n GLY 130 N 0.00 0.93 3.33 4.97 0.00 -1.13 -0.80 105.19 112.49 1cwm n GLY 130 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1cwm n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwm s LYS 131 N -2.02 0.96 0.09 1.61 -2.85 -0.37 -0.92 119.74 116.24 1cwm s LYS 131 Ca 0.12 -0.39 -0.31 0.00 -1.00 0.00 0.00 55.97 54.39 1cwm s LYS 131 Cb -0.01 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1cwm s LYS 131 CO 0.03 -0.34 1.54 0.08 0.10 0.00 0.00 175.35 176.76 1cwm s VAL 132 N -2.65 3.10 -0.22 1.79 1.01 0.22 -1.04 120.40 122.60 1cwm s VAL 132 Ca -0.04 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1cwm s VAL 132 Cb -0.00 -3.42 -0.19 0.00 0.00 0.00 0.00 36.38 32.76 1cwm s VAL 132 CO -0.04 0.02 -0.05 1.17 0.00 0.00 0.00 175.10 176.20 1cwm n LYS 133 N 4.88 0.67 -3.85 2.72 4.81 0.86 -4.84 118.16 123.40 1cwm n LYS 133 Ca 0.14 0.23 -0.10 0.00 -0.87 0.00 0.00 58.31 57.70 1cwm n LYS 133 Cb 0.41 -1.58 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 1cwm n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1cwm s GLU 134 N -2.52 0.68 0.00 1.64 8.01 -1.16 -4.90 118.70 120.45 1cwm s GLU 134 Ca -0.32 -0.61 0.00 0.00 0.01 0.00 0.00 54.97 54.05 1cwm s GLU 134 Cb 0.09 0.28 0.00 0.00 -4.31 0.00 0.00 34.13 30.19 1cwm s GLU 134 CO 0.63 -0.19 0.00 0.41 0.01 0.00 0.00 175.26 176.12 1cwm n GLY 135 N 0.75 0.75 0.33 -1.39 0.00 -1.26 -1.00 105.19 103.36 1cwm n GLY 135 Ca -0.19 -0.56 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1cwm n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1cwm h MET 136 N 0.00 0.00 0.00 1.61 4.05 -1.90 0.20 114.93 118.89 1cwm h MET 136 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1cwm h MET 136 Cb 0.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1cwm h MET 136 CO 0.00 0.00 -0.24 -2.95 0.23 0.00 0.00 176.91 173.95 1cwm h ASN 137 N 0.00 0.00 0.15 1.39 -1.07 -1.97 -0.27 115.58 113.81 1cwm h ASN 137 Ca 0.15 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.27 1cwm h ASN 137 Cb 0.59 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.85 1cwm h ASN 137 CO -0.00 0.24 -0.97 0.40 0.07 0.00 0.00 177.43 177.17 1cwm h ILE 138 N 0.00 1.33 -0.86 6.14 1.08 -0.95 -1.89 117.51 122.37 1cwm h ILE 138 Ca -0.00 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1cwm h ILE 138 Cb 0.54 2.36 -0.04 0.00 -3.07 0.00 0.00 36.82 36.60 1cwm h ILE 138 CO 0.03 0.70 0.54 0.58 -0.69 0.00 0.00 178.15 179.31 1cwm h VAL 139 N 0.33 1.23 -0.73 1.67 2.07 -1.13 -0.21 116.25 119.49 1cwm h VAL 139 Ca -0.10 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1cwm h VAL 139 Cb 1.61 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1cwm h VAL 139 CO 0.18 0.23 0.36 -0.33 0.02 0.00 0.00 177.57 178.03 1cwm h GLU 140 N 1.17 1.05 -0.23 1.57 5.08 -1.03 -2.13 114.58 120.06 1cwm h GLU 140 Ca 0.31 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1cwm h GLU 140 Cb -0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1cwm h GLU 140 CO -0.06 0.82 -0.27 0.00 -1.00 0.00 0.00 179.01 178.50 1cwm h ALA 141 N 1.18 1.11 -0.97 3.43 0.00 -0.83 -2.73 119.26 120.44 1cwm h ALA 141 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cwm h ALA 141 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1cwm h ALA 141 CO -0.03 0.56 0.64 0.52 0.00 0.00 0.00 179.25 180.93 1cwm h MET 142 N 0.39 1.22 -0.02 0.00 2.86 -0.59 -2.76 114.93 116.04 1cwm h MET 142 Ca 0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1cwm h MET 142 Cb 0.68 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1cwm h MET 142 CO 0.05 0.81 -0.06 1.49 1.06 0.00 0.00 176.91 180.26 1cwm h GLU 143 N 1.26 0.02 -0.06 1.72 4.81 -1.08 -1.71 114.58 119.56 1cwm h GLU 143 Ca 0.38 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1cwm h GLU 143 Cb -0.05 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1cwm h GLU 143 CO -0.10 0.08 0.09 0.00 -0.73 0.00 0.00 179.01 178.35 1cwm h ARG 144 N 0.02 0.00 -0.22 1.92 -0.00 -1.47 -1.42 114.38 113.21 1cwm h ARG 144 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1cwm h ARG 144 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.09 1cwm h ARG 144 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.97 181.17 1cwm n PHE 145 N -3.58 0.28 -2.35 3.04 3.72 -0.64 -4.94 117.46 112.99 1cwm n PHE 145 Ca -0.02 -0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 1cwm n PHE 145 Cb 0.18 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.85 1cwm n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cwm n GLY 146 N 1.26 0.04 3.51 1.37 0.00 -0.53 -0.91 105.19 109.93 1cwm n GLY 146 Ca 0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1cwm n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwm s SER 147 N -4.85 -0.06 0.25 1.61 1.04 -0.90 -4.79 113.70 106.00 1cwm s SER 147 Ca 0.62 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1cwm s SER 147 Cb -0.03 0.54 0.37 0.00 0.10 0.00 0.00 66.02 67.01 1cwm s SER 147 CO 0.42 -1.07 1.84 -0.09 0.98 0.00 0.00 173.24 175.32 1cwm h ARG 148 N 2.33 0.92 -0.01 4.02 2.43 -1.90 -1.31 114.38 120.86 1cwm h ARG 148 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1cwm h ARG 148 Cb 1.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1cwm h ARG 148 CO 0.39 0.61 -0.01 0.27 -1.51 0.00 0.00 179.97 179.72 1cwm n ASN 149 N -4.64 0.53 0.00 -3.80 0.23 -1.26 -4.94 115.26 101.39 1cwm n ASN 149 Ca 0.13 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 1cwm n ASN 149 Cb 0.21 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1cwm n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cwm n GLY 150 N 1.08 2.70 3.77 4.83 0.00 -0.49 -4.99 105.19 112.09 1cwm n GLY 150 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1cwm n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwm s LYS 151 N -0.26 4.33 0.11 1.61 1.02 -1.26 -0.94 119.74 124.34 1cwm s LYS 151 Ca 0.00 2.25 -0.06 0.00 0.02 0.00 0.00 55.97 58.18 1cwm s LYS 151 Cb 0.00 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 1cwm s LYS 151 CO 0.00 -0.24 0.36 0.95 -0.92 0.00 0.00 175.35 175.49 1cwm s THR 152 N -1.00 5.18 -0.52 2.17 -4.23 -1.26 -3.15 115.64 112.84 1cwm s THR 152 Ca 0.50 0.11 0.24 0.00 -1.18 0.00 0.00 61.69 61.37 1cwm s THR 152 Cb -0.40 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.01 1cwm s THR 152 CO 0.53 0.14 1.47 0.77 -0.54 0.00 0.00 174.62 176.99 1cwm h SER 153 N 3.19 0.00 -3.92 3.99 4.64 -1.35 -3.46 113.55 116.63 1cwm h SER 153 Ca -0.47 -0.05 -0.35 0.00 -0.47 0.00 0.00 61.79 60.45 1cwm h SER 153 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1cwm h SER 153 CO 0.71 0.02 -0.72 -0.54 -0.87 0.00 0.00 176.83 175.43 1cwm s LYS 154 N -3.20 1.07 -0.29 4.77 3.01 -1.26 -5.13 119.74 118.71 1cwm s LYS 154 Ca 0.06 -1.43 -0.19 0.00 -1.01 0.00 0.00 55.97 53.40 1cwm s LYS 154 Cb 0.10 -0.69 -0.02 0.00 -1.01 0.00 0.00 37.83 36.21 1cwm s LYS 154 CO 0.69 0.10 0.58 0.21 0.51 0.00 0.00 175.35 177.43 1cwm s LYS 155 N -3.57 3.97 -0.29 1.68 2.47 -1.26 -4.90 119.74 117.83 1cwm s LYS 155 Ca 0.16 0.31 -0.09 0.00 -1.56 0.00 0.00 55.97 54.79 1cwm s LYS 155 Cb 0.01 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.67 1cwm s LYS 155 CO 0.01 -0.48 0.13 0.42 0.16 0.00 0.00 175.35 175.59 1cwm s ILE 156 N 2.48 4.53 0.25 5.43 -1.09 -1.26 -0.57 121.20 130.97 1cwm s ILE 156 Ca 0.23 -0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1cwm s ILE 156 Cb -0.15 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 1cwm s ILE 156 CO 0.10 0.15 -0.13 0.42 -1.23 0.00 0.00 174.94 174.26 1cwm s THR 157 N 1.62 1.92 -0.71 2.92 -4.23 -0.39 -1.85 115.64 114.92 1cwm s THR 157 Ca 0.05 -2.24 -0.22 0.00 -1.18 0.00 0.00 61.69 58.11 1cwm s THR 157 Cb -0.16 -2.25 0.08 0.00 1.34 0.00 0.00 72.50 71.51 1cwm s THR 157 CO 0.06 -0.45 1.00 -0.63 -0.54 0.00 0.00 174.62 174.06 1cwm s ILE 158 N -2.85 4.41 0.25 2.99 1.01 0.37 -1.26 121.20 126.12 1cwm s ILE 158 Ca 0.27 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1cwm s ILE 158 Cb -0.00 -4.70 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1cwm s ILE 158 CO 0.11 -1.47 1.58 0.00 0.00 0.00 0.00 174.94 175.16 1cwm h ALA 159 N 9.43 0.90 -2.87 9.38 0.00 -1.14 0.41 119.26 135.36 1cwm h ALA 159 Ca -0.19 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1cwm h ALA 159 Cb 1.06 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1cwm h ALA 159 CO 1.17 0.75 0.06 0.34 0.00 0.00 0.00 179.25 181.56 1cwm s ASP 160 N -6.88 -0.35 0.11 0.00 -1.08 -1.17 -4.46 116.67 102.84 1cwm s ASP 160 Ca -0.03 -0.27 -0.25 0.00 -0.52 0.00 0.00 52.55 51.49 1cwm s ASP 160 Cb 0.12 0.55 0.08 0.00 -1.46 0.00 0.00 42.92 42.21 1cwm s ASP 160 CO 0.78 -0.96 0.74 0.00 0.52 0.00 0.00 175.17 176.25 1cwm n GLY 162 N -0.35 -1.31 3.65 0.00 0.00 -1.02 -4.74 105.19 101.42 1cwm n GLY 162 Ca -0.12 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1cwm n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cwm s GLN 163 N -1.21 3.04 -0.21 1.61 0.74 -1.26 -1.33 119.66 121.05 1cwm s GLN 163 Ca 0.00 -0.44 0.04 0.00 0.05 0.00 0.00 55.36 55.01 1cwm s GLN 163 Cb 0.00 -2.79 -0.21 0.00 1.10 0.00 0.00 33.01 31.12 1cwm s GLN 163 CO 0.00 0.64 0.00 1.28 -0.55 0.00 0.00 175.29 176.66 1cwm n LEU 164 N 2.33 2.25 0.00 3.68 4.77 0.31 -4.95 117.00 125.39 1cwm n LEU 164 Ca -0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1cwm n LEU 164 Cb 0.53 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1cwm n LEU 164 CO 0.29 0.81 0.00 1.21 -1.33 0.00 0.00 177.39 178.37