#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x54 s ILE 3 N 0.00 3.97 -0.44 12.58 1.01 -1.26 -5.08 121.20 131.97 2x54 s ILE 3 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2x54 s ILE 3 Cb 0.00 -2.80 0.08 0.00 0.01 0.00 0.00 42.46 39.74 2x54 s ILE 3 CO 0.00 0.42 0.32 -0.54 0.00 0.00 0.00 174.94 175.14 2x54 s LYS 4 N 1.10 2.77 0.13 2.79 -0.14 -1.26 -5.09 119.74 120.03 2x54 s LYS 4 Ca 0.02 -1.42 -0.19 0.00 -1.36 0.00 0.00 55.97 53.03 2x54 s LYS 4 Cb -0.14 -3.94 -0.07 0.00 -1.68 0.00 0.00 37.83 32.00 2x54 s LYS 4 CO 0.02 -0.99 0.62 -0.80 -0.76 0.00 0.00 175.35 173.43 2x54 s ASN 5 N 2.34 7.05 0.12 2.83 0.02 -1.26 -5.02 114.94 121.02 2x54 s ASN 5 Ca 0.03 1.29 0.00 0.00 -1.02 0.00 0.00 52.86 53.17 2x54 s ASN 5 Cb -0.24 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.66 2x54 s ASN 5 CO 0.04 0.19 0.00 0.49 0.02 0.00 0.00 177.10 177.84 2x54 n PHE 6 N 1.33 -0.57 -1.26 2.20 3.01 -1.26 -4.76 117.46 116.15 2x54 n PHE 6 Ca -0.07 0.10 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 2x54 n PHE 6 Cb 0.51 0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 2x54 n PHE 6 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2x54 n THR 7 N -3.36 3.93 -3.85 4.37 -1.04 -1.26 -4.81 114.28 108.26 2x54 n THR 7 Ca 0.00 -2.43 -0.10 0.00 -2.04 0.00 0.00 64.05 59.48 2x54 n THR 7 Cb 0.08 -2.54 -0.08 0.00 -1.82 0.00 0.00 70.33 65.97 2x54 n THR 7 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2x54 s PHE 8 N 2.49 0.08 0.42 -1.42 0.40 -1.26 -5.17 117.98 113.52 2x54 s PHE 8 Ca 0.63 -0.37 -0.23 0.00 -0.60 0.00 0.00 56.93 56.36 2x54 s PHE 8 Cb 0.16 -0.04 -0.09 0.00 0.51 0.00 0.00 43.02 43.57 2x54 s PHE 8 CO -0.06 -0.47 1.05 -0.06 0.70 0.00 0.00 175.22 176.39 2x54 s PHE 9 N -2.98 3.19 -0.41 0.36 2.99 -1.26 -4.81 117.98 115.06 2x54 s PHE 9 Ca -0.02 1.62 -0.10 0.00 0.00 0.00 0.00 56.93 58.43 2x54 s PHE 9 Cb 0.01 -3.13 0.06 0.00 0.00 0.00 0.00 43.02 39.96 2x54 s PHE 9 CO -0.06 -0.72 0.25 -1.12 -0.00 0.00 0.00 175.22 173.57 2x54 s SER 10 N -1.63 5.72 0.14 1.36 0.01 -1.26 -4.72 113.70 113.31 2x54 s SER 10 Ca 0.60 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 2x54 s SER 10 Cb -0.21 -2.02 0.02 0.00 0.21 0.00 0.00 66.02 64.02 2x54 s SER 10 CO 0.26 -0.49 1.76 -0.65 0.41 0.00 0.00 173.24 174.53 2x54 h PRO 11 N 8.45 0.26 -0.62 12.44 0.11 -1.99 -2.67 132.00 147.99 2x54 h PRO 11 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2x54 h PRO 11 Cb 1.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2x54 h PRO 11 CO 0.74 0.17 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 2x54 n ASN 12 N -5.01 3.72 -2.95 -2.05 3.02 -1.26 -4.94 115.26 105.80 2x54 n ASN 12 Ca -0.00 -2.29 -0.22 0.00 -0.03 0.00 0.00 54.58 52.04 2x54 n ASN 12 Cb 0.10 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2x54 n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2x54 n SER 13 N 0.90 -5.79 0.00 6.41 7.64 -1.01 -4.81 113.62 116.97 2x54 n SER 13 Ca 0.20 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2x54 n SER 13 Cb 0.69 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2x54 n SER 13 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2x54 n THR 14 N -4.35 0.00 0.26 0.44 -2.24 -1.26 -4.99 114.28 102.13 2x54 n THR 14 Ca -0.12 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 2x54 n THR 14 Cb 0.62 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 2x54 n THR 14 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x54 h GLU 15 N 0.00 -0.90 -3.00 -0.78 3.07 -1.88 -3.38 114.58 107.70 2x54 h GLU 15 Ca 0.00 0.06 -0.62 0.00 -0.50 0.00 0.00 59.36 58.30 2x54 h GLU 15 Cb 0.00 0.20 -0.42 0.00 -0.84 0.00 0.00 28.75 27.70 2x54 h GLU 15 CO 0.00 -0.60 -0.61 1.19 -1.40 0.00 0.00 179.01 177.59 2x54 n PHE 16 N -5.54 2.92 -2.83 4.33 3.72 -1.26 -5.02 117.46 113.77 2x54 n PHE 16 Ca -0.11 -4.23 -0.41 0.00 -0.05 0.00 0.00 57.45 52.65 2x54 n PHE 16 Cb 0.44 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 2x54 n PHE 16 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2x54 s PRO 17 N -1.37 4.39 -0.30 -1.08 0.05 -1.26 -4.86 135.00 130.57 2x54 s PRO 17 Ca 0.26 1.15 -0.12 0.00 0.05 0.00 0.00 61.00 62.35 2x54 s PRO 17 Cb -0.03 -3.53 -0.04 0.00 0.05 0.00 0.00 34.50 30.95 2x54 s PRO 17 CO -0.17 -0.22 0.21 0.54 0.05 0.00 0.00 177.00 177.41 2x54 s VAL 18 N 1.74 5.30 0.73 -0.36 0.11 -1.26 -5.00 120.40 121.66 2x54 s VAL 18 Ca 0.43 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.50 2x54 s VAL 18 Cb -0.18 -3.59 0.08 0.00 -1.53 0.00 0.00 36.38 31.17 2x54 s VAL 18 CO 0.17 0.18 1.04 -0.83 -3.33 0.00 0.00 175.10 172.33 2x54 s GLY 19 N 1.75 1.71 0.31 6.54 0.00 -1.26 -4.93 107.32 111.43 2x54 s GLY 19 Ca 0.07 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.74 2x54 s GLY 19 CO 0.11 -0.61 1.83 1.48 0.00 0.00 0.00 173.10 175.91 2x54 h SER 20 N -0.69 0.60 0.18 1.64 4.64 -1.98 -1.80 113.55 116.13 2x54 h SER 20 Ca -0.43 -0.12 -0.23 0.00 -0.47 0.00 0.00 61.79 60.54 2x54 h SER 20 Cb 1.30 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2x54 h SER 20 CO 0.55 0.66 -0.90 -0.55 -0.87 0.00 0.00 176.83 175.72 2x54 h ASN 21 N 0.61 0.67 -0.45 4.97 -1.07 -1.95 -0.73 115.58 117.62 2x54 h ASN 21 Ca 0.13 -0.50 -0.06 0.00 0.07 0.00 0.00 56.30 55.93 2x54 h ASN 21 Cb 0.36 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.39 2x54 h ASN 21 CO 0.01 1.29 0.05 0.78 0.07 0.00 0.00 177.43 179.63 2x54 h ASN 22 N 0.32 0.73 0.18 6.14 -0.26 -1.85 0.15 115.58 120.99 2x54 h ASN 22 Ca -0.08 -0.28 -0.19 0.00 -0.56 0.00 0.00 56.30 55.20 2x54 h ASN 22 Cb 1.53 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.59 2x54 h ASN 22 CO 0.17 0.82 -0.72 0.44 -1.06 0.00 0.00 177.43 177.08 2x54 h ASP 23 N 0.61 0.55 -0.33 5.81 5.19 -1.40 -2.47 116.42 124.38 2x54 h ASP 23 Ca 0.13 -0.36 0.02 0.00 -0.62 0.00 0.00 57.03 56.21 2x54 h ASP 23 Cb 0.42 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2x54 h ASP 23 CO 0.01 1.10 0.17 1.23 -3.12 0.00 0.00 179.24 178.63 2x54 h GLY 24 N 1.16 0.45 1.03 2.75 0.00 -0.86 0.90 103.07 108.49 2x54 h GLY 24 Ca -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2x54 h GLY 24 CO 0.13 0.10 0.07 0.50 0.00 0.00 0.00 176.54 177.34 2x54 h LYS 25 N 0.35 0.95 -0.10 4.80 1.57 -1.00 -2.74 116.57 120.41 2x54 h LYS 25 Ca 0.14 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2x54 h LYS 25 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2x54 h LYS 25 CO -0.09 0.92 -0.00 1.25 -0.57 0.00 0.00 179.45 180.96 2x54 h LEU 26 N 0.85 -0.04 -1.25 2.94 5.85 -0.97 -2.66 115.31 120.03 2x54 h LEU 26 Ca 0.17 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2x54 h LEU 26 Cb 0.45 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2x54 h LEU 26 CO 0.02 -0.00 0.10 1.88 -0.34 0.00 0.00 178.44 180.10 2x54 h TYR 27 N 0.03 0.63 -0.26 1.25 0.05 -0.79 -2.85 116.97 115.03 2x54 h TYR 27 Ca 0.04 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2x54 h TYR 27 Cb 0.05 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 2x54 h TYR 27 CO -0.13 0.54 0.09 0.52 -1.05 0.00 0.00 178.16 178.14 2x54 h MET 28 N 0.61 0.39 -0.15 4.88 2.86 -1.27 -2.96 114.93 119.29 2x54 h MET 28 Ca 0.14 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2x54 h MET 28 Cb 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2x54 h MET 28 CO -0.00 0.45 -0.22 0.52 1.06 0.00 0.00 176.91 178.71 2x54 h MET 29 N 0.26 0.26 -0.10 1.72 2.86 -1.35 0.70 114.93 119.27 2x54 h MET 29 Ca 0.09 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2x54 h MET 29 Cb 0.21 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2x54 h MET 29 CO -0.01 0.47 -0.05 -0.07 1.06 0.00 0.00 176.91 178.32 2x54 h LEU 30 N 0.24 0.21 0.00 1.22 3.38 -1.44 -3.26 115.31 115.66 2x54 h LEU 30 Ca 0.04 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2x54 h LEU 30 Cb 0.53 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2x54 h LEU 30 CO 0.04 0.58 -0.43 0.00 0.09 0.00 0.00 178.44 178.71 2x54 h THR 31 N -0.15 0.06 -3.23 0.22 1.03 -1.50 -3.49 112.91 105.86 2x54 h THR 31 Ca 0.02 -1.10 -0.03 0.00 -0.01 0.00 0.00 66.41 65.30 2x54 h THR 31 Cb 0.49 1.85 0.02 0.00 -1.07 0.00 0.00 68.15 69.44 2x54 h THR 31 CO 0.01 0.04 -0.09 0.61 -0.01 0.00 0.00 175.52 176.08 2x54 n GLY 32 N 1.14 0.70 3.32 2.99 0.00 0.15 -4.65 105.19 108.84 2x54 n GLY 32 Ca 0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2x54 n GLY 32 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2x54 s MET 33 N -3.16 1.24 0.21 1.61 0.23 -0.65 -0.28 119.30 118.50 2x54 s MET 33 Ca 0.05 -1.43 0.02 0.00 -1.03 0.00 0.00 55.69 53.29 2x54 s MET 33 Cb -0.01 -1.18 0.02 0.00 -1.53 0.00 0.00 34.83 32.13 2x54 s MET 33 CO 0.07 0.22 0.15 -0.40 -2.03 0.00 0.00 175.02 173.04 2x54 n ASP 34 N 0.13 1.68 -0.07 -1.18 5.68 -1.26 -4.69 116.55 116.84 2x54 n ASP 34 Ca -0.12 -1.71 0.12 0.00 -0.50 0.00 0.00 54.79 52.58 2x54 n ASP 34 Cb 0.58 -0.01 0.70 0.00 -1.14 0.00 0.00 41.12 41.25 2x54 n ASP 34 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2x54 n TYR 35 N -0.97 0.01 0.69 2.11 4.01 -1.26 -3.46 117.16 118.29 2x54 n TYR 35 Ca -0.01 -0.01 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 2x54 n TYR 35 Cb 0.24 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2x54 n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x54 n ARG 36 N -0.74 0.70 -4.52 -0.72 1.74 -1.26 -4.02 116.66 107.83 2x54 n ARG 36 Ca 0.19 -0.04 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 2x54 n ARG 36 Cb 0.12 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 2x54 n ARG 36 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x54 s THR 37 N -2.92 2.23 0.41 0.55 -1.32 -1.23 -4.83 115.64 108.53 2x54 s THR 37 Ca 0.04 -2.23 0.04 0.00 -1.21 0.00 0.00 61.69 58.32 2x54 s THR 37 Cb 0.14 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2x54 s THR 37 CO 0.79 -0.24 0.06 0.27 -2.21 0.00 0.00 174.62 173.29 2x54 s ILE 38 N -2.62 1.08 -0.27 5.08 -0.00 -1.26 -4.54 121.20 118.66 2x54 s ILE 38 Ca 0.32 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.97 2x54 s ILE 38 Cb 0.01 -2.52 0.08 0.00 -0.00 0.00 0.00 42.46 40.03 2x54 s ILE 38 CO 0.16 0.00 0.02 -0.13 -0.00 0.00 0.00 174.94 174.99 2x54 s ARG 39 N -3.80 1.16 -0.03 0.37 1.81 -0.99 -4.63 118.95 112.83 2x54 s ARG 39 Ca 0.25 -1.06 0.05 0.00 -1.72 0.00 0.00 55.73 53.25 2x54 s ARG 39 Cb 0.05 -2.42 -0.01 0.00 -0.45 0.00 0.00 34.95 32.13 2x54 s ARG 39 CO 0.13 -0.78 -0.18 0.50 -0.68 0.00 0.00 175.30 174.28 2x54 s ARG 40 N 1.46 1.73 -0.07 3.54 3.00 -1.26 -0.30 118.95 127.05 2x54 s ARG 40 Ca 0.02 -0.65 -0.03 0.00 -1.00 0.00 0.00 55.73 54.07 2x54 s ARG 40 Cb -0.18 -1.56 0.04 0.00 0.00 0.00 0.00 34.95 33.25 2x54 s ARG 40 CO -0.13 0.32 0.14 0.21 0.00 0.00 0.00 175.30 175.84 2x54 s LYS 41 N -0.17 0.03 -0.63 5.12 2.47 -0.88 -5.03 119.74 120.65 2x54 s LYS 41 Ca 0.01 0.46 -0.21 0.00 -1.56 0.00 0.00 55.97 54.67 2x54 s LYS 41 Cb -0.10 -0.27 0.09 0.00 -1.46 0.00 0.00 37.83 36.09 2x54 s LYS 41 CO 0.01 -0.26 0.83 -0.51 0.16 0.00 0.00 175.35 175.59 2x54 s ASP 42 N 1.84 6.19 0.23 1.43 1.01 -1.26 -2.18 116.67 123.93 2x54 s ASP 42 Ca -0.01 -1.24 -0.02 0.00 0.71 0.00 0.00 52.55 51.98 2x54 s ASP 42 Cb -0.12 -2.36 0.23 0.00 1.01 0.00 0.00 42.92 41.68 2x54 s ASP 42 CO -0.05 -1.27 1.62 -0.50 0.21 0.00 0.00 175.17 175.18 2x54 h TRP 43 N 9.36 0.71 -3.43 4.23 4.06 -1.70 -3.42 115.95 125.75 2x54 h TRP 43 Ca -0.28 -0.19 -0.43 0.00 2.06 0.00 0.00 58.89 60.05 2x54 h TRP 43 Cb 1.08 -0.16 -0.34 0.00 -1.00 0.00 0.00 29.16 28.74 2x54 h TRP 43 CO 0.90 0.87 -0.78 -1.54 -3.56 0.00 0.00 178.44 174.33 2x54 s SER 44 N -6.82 1.15 0.06 -3.49 1.04 -1.16 -5.04 113.70 99.43 2x54 s SER 44 Ca -0.08 -0.16 -0.35 0.00 0.48 0.00 0.00 55.95 55.84 2x54 s SER 44 Cb 0.13 -0.52 -0.15 0.00 0.10 0.00 0.00 66.02 65.58 2x54 s SER 44 CO 0.82 -0.05 1.56 -0.24 0.98 0.00 0.00 173.24 176.32 2x54 n SER 45 N 4.09 2.64 -4.77 7.02 2.88 -1.26 -3.98 113.62 120.24 2x54 n SER 45 Ca -0.23 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 57.99 2x54 n SER 45 Cb 0.51 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 2x54 n SER 45 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2x54 s PRO 46 N 1.48 4.06 -0.08 -1.46 0.02 -1.26 -4.66 135.00 133.10 2x54 s PRO 46 Ca 0.84 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.87 2x54 s PRO 46 Cb -0.80 -2.82 -0.05 0.00 0.02 0.00 0.00 34.50 30.85 2x54 s PRO 46 CO 0.45 -0.42 0.38 -0.51 -0.33 0.00 0.00 177.00 176.57 2x54 s LEU 47 N -2.29 4.36 -0.34 -5.54 1.43 -0.17 -4.93 118.68 111.20 2x54 s LEU 47 Ca 0.55 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 2x54 s LEU 47 Cb -0.38 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.35 2x54 s LEU 47 CO 0.49 0.19 0.10 0.20 0.23 0.00 0.00 176.35 177.57 2x54 s ASN 48 N -0.25 5.31 -0.22 2.29 0.01 -1.26 -0.56 114.94 120.27 2x54 s ASN 48 Ca 0.22 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.24 2x54 s ASN 48 Cb -0.15 -1.87 0.04 0.00 0.41 0.00 0.00 41.25 39.68 2x54 s ASN 48 CO 0.10 -0.33 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.31 2x54 s THR 49 N 1.40 2.09 0.00 1.60 2.01 -0.91 -4.96 115.64 116.87 2x54 s THR 49 Ca -0.02 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.74 2x54 s THR 49 Cb -0.20 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2x54 s THR 49 CO 0.03 0.28 0.00 0.00 -0.69 0.00 0.00 174.62 174.23 2x54 n ALA 50 N 4.54 0.00 -1.51 7.40 0.00 -1.26 -2.40 120.51 127.27 2x54 n ALA 50 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 2x54 n ALA 50 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 2x54 n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x54 n LEU 51 N 0.00 6.53 -3.79 0.00 4.77 -1.22 -3.89 117.00 119.40 2x54 n LEU 51 Ca 0.00 -4.10 -0.13 0.00 -0.03 0.00 0.00 56.01 51.75 2x54 n LEU 51 Cb 0.00 -1.24 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 2x54 n LEU 51 CO 0.00 1.75 -0.06 0.20 -1.33 0.00 0.00 177.39 177.95 2x54 s ASN 52 N 0.36 -0.21 -0.18 -1.43 0.01 -1.01 -0.49 114.94 111.99 2x54 s ASN 52 Ca 0.59 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 53.05 2x54 s ASN 52 Cb 0.38 0.44 0.04 0.00 0.41 0.00 0.00 41.25 42.51 2x54 s ASN 52 CO -0.22 -0.23 -0.11 0.54 -1.51 0.00 0.00 177.10 175.57 2x54 s VAL 53 N -0.48 1.59 -0.28 1.60 0.11 -0.82 -2.15 120.40 119.97 2x54 s VAL 53 Ca -0.06 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.02 2x54 s VAL 53 Cb -0.04 -1.62 -0.05 0.00 -1.53 0.00 0.00 36.38 33.15 2x54 s VAL 53 CO 0.02 0.26 0.18 -1.58 -3.33 0.00 0.00 175.10 170.65 2x54 s GLN 54 N 1.44 3.94 -0.82 1.54 0.74 0.28 -1.36 119.66 125.41 2x54 s GLN 54 Ca 0.01 -0.33 -0.21 0.00 0.05 0.00 0.00 55.36 54.89 2x54 s GLN 54 Cb -0.15 -3.64 0.10 0.00 1.10 0.00 0.00 33.01 30.42 2x54 s GLN 54 CO -0.09 -0.18 1.07 0.71 -0.55 0.00 0.00 175.29 176.26 2x54 s TYR 55 N 1.74 2.89 0.13 1.67 2.02 -0.46 -1.00 117.35 124.34 2x54 s TYR 55 Ca 0.07 -0.99 -0.28 0.00 -0.37 0.00 0.00 57.07 55.50 2x54 s TYR 55 Cb -0.16 -4.31 -0.04 0.00 -0.40 0.00 0.00 41.96 37.05 2x54 s TYR 55 CO 0.10 -1.58 1.59 1.79 -1.57 0.00 0.00 175.55 175.88 2x54 h THR 56 N 5.96 0.18 -1.38 -0.71 1.35 -1.80 -0.23 112.91 116.28 2x54 h THR 56 Ca -0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.74 2x54 h THR 56 Cb 1.04 0.18 -0.25 0.00 -1.73 0.00 0.00 68.15 67.40 2x54 h THR 56 CO 1.16 0.00 -0.46 0.21 -0.25 0.00 0.00 175.52 176.18 2x54 s ASN 57 N -4.89 -0.53 -0.07 5.36 2.47 -1.23 -1.40 114.94 114.65 2x54 s ASN 57 Ca -0.15 -0.12 -0.01 0.00 0.42 0.00 0.00 52.86 53.00 2x54 s ASN 57 Cb 0.10 1.53 0.03 0.00 -1.45 0.00 0.00 41.25 41.46 2x54 s ASN 57 CO 0.65 -0.33 0.01 -0.89 -3.72 0.00 0.00 177.10 172.81 2x54 s THR 58 N 2.67 0.33 -0.11 -5.21 2.01 -0.93 -1.58 115.64 112.83 2x54 s THR 58 Ca 0.10 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 2x54 s THR 58 Cb -0.11 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2x54 s THR 58 CO -0.28 0.25 0.24 -0.44 -0.69 0.00 0.00 174.62 173.70 2x54 s SER 59 N 1.93 6.48 -0.03 3.53 0.01 -0.92 -0.30 113.70 124.39 2x54 s SER 59 Ca 0.04 0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.89 2x54 s SER 59 Cb -0.12 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2x54 s SER 59 CO -0.05 0.28 -0.08 -0.63 0.41 0.00 0.00 173.24 173.18 2x54 s ILE 60 N -0.50 0.73 -0.52 1.44 1.01 -0.08 -2.08 121.20 121.20 2x54 s ILE 60 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2x54 s ILE 60 Cb -0.13 -0.68 0.14 0.00 0.01 0.00 0.00 42.46 41.80 2x54 s ILE 60 CO 0.05 0.24 0.33 -0.63 0.00 0.00 0.00 174.94 174.93 2x54 s ILE 61 N 0.43 3.54 -0.22 2.92 1.01 0.59 -1.84 121.20 127.64 2x54 s ILE 61 Ca -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 60.65 58.06 2x54 s ILE 61 Cb -0.11 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 2x54 s ILE 61 CO 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 174.94 174.13 2x54 s ALA 62 N 0.57 2.87 -1.40 9.38 0.00 -0.91 -2.36 121.76 129.92 2x54 s ALA 62 Ca 0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2x54 s ALA 62 Cb -0.22 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2x54 s ALA 62 CO -0.04 -0.36 0.14 0.41 0.00 0.00 0.00 175.76 175.91 2x54 n GLY 63 N 4.65 -0.32 2.28 0.00 0.00 -1.26 -1.96 105.19 108.58 2x54 n GLY 63 Ca -0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 2x54 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x54 n GLY 64 N -1.12 0.43 3.41 -0.02 0.00 -1.26 -4.70 105.19 101.94 2x54 n GLY 64 Ca -0.17 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2x54 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 s ARG 65 N -0.91 3.41 -0.04 1.61 1.81 -0.83 -4.27 118.95 119.74 2x54 s ARG 65 Ca 0.00 -0.64 -0.23 0.00 -1.72 0.00 0.00 55.73 53.13 2x54 s ARG 65 Cb 0.00 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.09 2x54 s ARG 65 CO 0.00 -0.31 0.70 -0.47 -0.68 0.00 0.00 175.30 174.54 2x54 s TYR 66 N 1.57 3.62 -0.01 -0.53 5.04 -1.26 -2.13 117.35 123.65 2x54 s TYR 66 Ca 0.05 1.28 -0.16 0.00 -2.44 0.00 0.00 57.07 55.80 2x54 s TYR 66 Cb -0.16 -2.78 0.03 0.00 0.35 0.00 0.00 41.96 39.39 2x54 s TYR 66 CO 0.03 0.15 0.34 -0.59 -1.34 0.00 0.00 175.55 174.14 2x54 s PHE 67 N 0.53 -0.21 -0.04 4.97 -0.12 -0.77 -5.02 117.98 117.31 2x54 s PHE 67 Ca 0.37 0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.60 2x54 s PHE 67 Cb -0.18 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 2x54 s PHE 67 CO 0.19 -0.42 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.56 2x54 s GLU 68 N -1.43 2.42 -0.44 1.99 2.02 -1.26 -0.90 118.70 121.09 2x54 s GLU 68 Ca -0.13 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 2x54 s GLU 68 Cb -0.04 -2.31 0.08 0.00 0.10 0.00 0.00 34.13 31.96 2x54 s GLU 68 CO 0.04 0.61 0.32 -0.51 0.02 0.00 0.00 175.26 175.74 2x54 s LEU 69 N -0.71 5.39 -0.46 1.80 1.43 0.59 -4.99 118.68 121.72 2x54 s LEU 69 Ca 0.11 -1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 51.63 2x54 s LEU 69 Cb -0.10 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.18 2x54 s LEU 69 CO 0.00 -0.60 0.31 -0.76 0.23 0.00 0.00 176.35 175.53 2x54 s LEU 70 N 1.48 5.56 -1.47 1.79 1.43 -1.26 -2.18 118.68 124.04 2x54 s LEU 70 Ca 0.04 -2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 51.07 2x54 s LEU 70 Cb -0.24 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2x54 s LEU 70 CO 0.03 -0.63 0.76 0.59 0.23 0.00 0.00 176.35 177.33 2x54 n ASN 71 N 4.75 -5.64 -4.56 2.29 4.13 -0.11 -4.97 115.26 111.15 2x54 n ASN 71 Ca -0.05 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.36 2x54 n ASN 71 Cb 0.41 -4.53 -0.05 0.00 -1.54 0.00 0.00 39.78 34.07 2x54 n ASN 71 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2x54 s GLU 72 N -6.00 3.53 -0.06 3.52 2.56 -1.10 -4.80 118.70 116.34 2x54 s GLU 72 Ca 0.43 0.11 -0.14 0.00 0.00 0.00 0.00 54.97 55.36 2x54 s GLU 72 Cb -0.20 -3.91 -0.05 0.00 2.00 0.00 0.00 34.13 31.97 2x54 s GLU 72 CO 0.53 -1.14 0.36 0.99 -0.56 0.00 0.00 175.26 175.44 2x54 s THR 73 N 3.52 5.16 -0.11 -1.70 2.01 -1.26 -1.36 115.64 121.90 2x54 s THR 73 Ca 0.34 0.73 0.01 0.00 0.31 0.00 0.00 61.69 63.08 2x54 s THR 73 Cb -0.11 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.74 2x54 s THR 73 CO 0.24 0.51 -0.15 0.54 -0.69 0.00 0.00 174.62 175.07 2x54 s VAL 74 N -0.51 1.47 0.48 3.82 0.11 -0.47 -4.97 120.40 120.33 2x54 s VAL 74 Ca 0.22 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 2x54 s VAL 74 Cb -0.15 -1.35 -0.07 0.00 -1.53 0.00 0.00 36.38 33.28 2x54 s VAL 74 CO 0.10 0.44 1.29 0.00 -3.33 0.00 0.00 175.10 173.60 2x54 s ALA 75 N 1.07 3.01 0.32 1.54 0.00 -1.26 -1.95 121.76 124.49 2x54 s ALA 75 Ca -0.05 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.21 2x54 s ALA 75 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2x54 s ALA 75 CO -0.03 -1.01 -0.13 -0.51 0.00 0.00 0.00 175.76 174.08 2x54 s LEU 76 N -3.04 2.68 -0.13 0.00 1.43 0.36 -4.58 118.68 115.40 2x54 s LEU 76 Ca 0.65 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2x54 s LEU 76 Cb -0.36 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 2x54 s LEU 76 CO 0.45 -0.12 0.33 -0.75 0.23 0.00 0.00 176.35 176.49 2x54 s LYS 77 N -3.57 4.17 0.20 1.70 2.20 -1.26 -4.87 119.74 118.31 2x54 s LYS 77 Ca 0.32 0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.81 2x54 s LYS 77 Cb -0.00 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 2x54 s LYS 77 CO 0.16 0.32 1.46 0.20 -0.36 0.00 0.00 175.35 177.13 2x54 s GLY 78 N 0.18 2.06 -1.43 5.54 0.00 -1.26 -3.32 107.32 109.08 2x54 s GLY 78 Ca 0.19 1.29 -0.09 0.00 0.00 0.00 0.00 44.72 46.11 2x54 s GLY 78 CO 0.06 2.37 0.68 1.22 0.00 0.00 0.00 173.10 177.44 2x54 n ASP 79 N 3.09 -4.82 -4.23 1.64 8.00 0.15 -4.93 116.55 115.45 2x54 n ASP 79 Ca 0.09 -0.47 -0.13 0.00 0.71 0.00 0.00 54.79 54.99 2x54 n ASP 79 Cb 0.40 -3.91 -0.10 0.00 -0.02 0.00 0.00 41.12 37.50 2x54 n ASP 79 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2x54 s SER 80 N -2.89 1.64 -0.64 -2.24 0.01 -1.21 -4.93 113.70 103.45 2x54 s SER 80 Ca 0.45 -1.02 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 2x54 s SER 80 Cb -0.22 0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.13 2x54 s SER 80 CO 0.56 -0.37 0.79 -0.69 0.41 0.00 0.00 173.24 173.94 2x54 s VAL 81 N -3.40 4.74 -0.16 3.43 1.01 -1.26 -1.86 120.40 122.90 2x54 s VAL 81 Ca 0.16 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2x54 s VAL 81 Cb 0.03 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2x54 s VAL 81 CO -0.00 -1.22 0.75 0.20 0.00 0.00 0.00 175.10 174.82 2x54 s ASN 82 N 3.58 6.88 -0.52 3.32 0.01 0.80 -4.71 114.94 124.30 2x54 s ASN 82 Ca 0.15 1.07 -0.16 0.00 -0.71 0.00 0.00 52.86 53.22 2x54 s ASN 82 Cb -0.21 -2.41 0.11 0.00 0.41 0.00 0.00 41.25 39.15 2x54 s ASN 82 CO 0.05 -0.31 0.47 -0.31 -1.51 0.00 0.00 177.10 175.49 2x54 s TYR 83 N 1.85 3.25 -0.15 2.20 2.02 0.42 -0.32 117.35 126.62 2x54 s TYR 83 Ca 0.35 -1.21 -0.29 0.00 -0.37 0.00 0.00 57.07 55.55 2x54 s TYR 83 Cb -0.16 -3.63 -0.01 0.00 -0.40 0.00 0.00 41.96 37.75 2x54 s TYR 83 CO 0.13 -0.96 1.19 0.42 -1.57 0.00 0.00 175.55 174.76 2x54 s ILE 84 N 1.61 4.38 0.06 2.71 -1.09 -0.23 -0.84 121.20 127.79 2x54 s ILE 84 Ca 0.03 1.68 0.06 0.00 -2.23 0.00 0.00 60.65 60.19 2x54 s ILE 84 Cb -0.28 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2x54 s ILE 84 CO 0.04 -0.11 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.52 2x54 s HIS 85 N 3.06 2.71 -0.35 3.97 3.76 0.72 -2.01 115.29 127.16 2x54 s HIS 85 Ca 0.53 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2x54 s HIS 85 Cb -0.21 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.00 2x54 s HIS 85 CO 0.15 0.35 0.21 0.00 -0.85 0.00 0.00 174.74 174.60 2x54 s ALA 86 N -1.06 3.35 -0.27 -1.40 0.00 -0.46 -2.05 121.76 119.88 2x54 s ALA 86 Ca 0.18 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2x54 s ALA 86 Cb -0.11 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2x54 s ALA 86 CO 0.09 -1.13 0.10 -0.80 0.00 0.00 0.00 175.76 174.02 2x54 s ASN 87 N 1.63 5.28 -0.22 0.00 0.01 0.54 -2.83 114.94 119.35 2x54 s ASN 87 Ca 0.04 -0.32 -0.04 0.00 -0.71 0.00 0.00 52.86 51.83 2x54 s ASN 87 Cb -0.18 -1.95 -0.01 0.00 0.41 0.00 0.00 41.25 39.52 2x54 s ASN 87 CO 0.08 -0.09 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.91 2x54 s ILE 88 N 1.61 3.38 -0.28 0.60 1.01 -0.29 -1.18 121.20 126.05 2x54 s ILE 88 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2x54 s ILE 88 Cb -0.16 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.85 2x54 s ILE 88 CO 0.05 0.41 0.04 -0.62 0.00 0.00 0.00 174.94 174.81 2x54 s ASP 89 N 1.48 3.99 0.53 3.58 2.15 -0.63 -1.34 116.67 126.43 2x54 s ASP 89 Ca 0.06 -1.52 0.26 0.00 0.43 0.00 0.00 52.55 51.77 2x54 s ASP 89 Cb -0.14 -1.06 1.50 0.00 -0.30 0.00 0.00 42.92 42.92 2x54 s ASP 89 CO -0.03 -0.35 2.12 -0.07 -0.17 0.00 0.00 175.17 176.67 2x54 h LEU 90 N 7.98 0.00 -1.13 -1.34 3.38 -1.85 -2.59 115.31 119.77 2x54 h LEU 90 Ca -0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2x54 h LEU 90 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2x54 h LEU 90 CO 0.45 0.09 -0.30 0.71 0.09 0.00 0.00 178.44 179.48 2x54 h THR 91 N 0.00 1.26 -0.47 0.22 1.35 -1.95 -3.31 112.91 110.01 2x54 h THR 91 Ca -0.00 -1.23 -0.69 0.00 -0.55 0.00 0.00 66.41 63.94 2x54 h THR 91 Cb 0.22 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 68.08 2x54 h THR 91 CO 0.01 0.37 2.62 0.00 -0.25 0.00 0.00 175.52 178.27 2x54 n GLN 92 N -4.12 3.03 0.07 4.72 1.13 -0.97 -4.81 117.38 116.42 2x54 n GLN 92 Ca -0.01 -2.96 0.09 0.00 -1.94 0.00 0.00 57.00 52.18 2x54 n GLN 92 Cb 0.39 -3.40 0.55 0.00 0.11 0.00 0.00 30.24 27.89 2x54 n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2x54 h THR 93 N 4.86 0.97 0.01 5.09 1.03 -1.81 -2.29 112.91 120.77 2x54 h THR 93 Ca 0.50 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 66.82 2x54 h THR 93 Cb 0.77 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2x54 h THR 93 CO 1.65 0.05 -0.01 0.00 -0.01 0.00 0.00 175.52 177.20 2x54 h ALA 94 N 1.82 -0.02 -2.62 0.00 0.00 -1.93 -3.42 119.26 113.10 2x54 h ALA 94 Ca 0.14 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 2x54 h ALA 94 Cb 0.24 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.65 2x54 h ALA 94 CO -0.03 -0.25 -0.84 -0.80 0.00 0.00 0.00 179.25 177.33 2x54 s ASN 95 N -5.70 3.04 0.21 0.00 0.01 -1.14 -5.03 114.94 106.33 2x54 s ASN 95 Ca -0.16 -2.18 -0.02 0.00 -0.71 0.00 0.00 52.86 49.79 2x54 s ASN 95 Cb 0.01 -0.44 0.19 0.00 0.41 0.00 0.00 41.25 41.42 2x54 s ASN 95 CO 0.67 -0.31 1.57 -0.65 -1.51 0.00 0.00 177.10 176.86 2x54 h PRO 96 N 7.05 0.56 -5.74 -0.60 0.11 -1.62 -3.45 132.00 128.31 2x54 h PRO 96 Ca 0.04 -0.30 -0.59 0.00 0.11 0.00 0.00 66.00 65.27 2x54 h PRO 96 Cb 0.97 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 2x54 h PRO 96 CO 0.28 0.89 -0.20 0.08 -0.21 0.00 0.00 178.00 178.85 2x54 s VAL 97 N -4.18 5.18 0.01 3.15 1.01 -1.26 -1.61 120.40 122.71 2x54 s VAL 97 Ca -0.07 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2x54 s VAL 97 Cb 0.12 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2x54 s VAL 97 CO 0.83 0.40 -0.02 -0.94 0.00 0.00 0.00 175.10 175.36 2x54 s SER 98 N 0.21 0.22 0.10 3.32 1.04 -0.33 -5.00 113.70 113.27 2x54 s SER 98 Ca 0.23 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.39 2x54 s SER 98 Cb -0.15 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2x54 s SER 98 CO 0.09 -0.17 0.08 -0.76 0.98 0.00 0.00 173.24 173.46 2x54 s LEU 99 N -0.90 3.73 -0.18 2.42 1.43 -1.26 -0.34 118.68 123.58 2x54 s LEU 99 Ca -0.09 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2x54 s LEU 99 Cb -0.06 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.81 2x54 s LEU 99 CO -0.01 0.15 0.45 -0.94 0.23 0.00 0.00 176.35 176.24 2x54 s SER 100 N -2.54 -0.56 -0.28 2.29 1.04 -0.87 -4.98 113.70 107.79 2x54 s SER 100 Ca 0.29 0.97 -0.18 0.00 0.48 0.00 0.00 55.95 57.51 2x54 s SER 100 Cb -0.12 0.87 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2x54 s SER 100 CO 0.22 -0.19 0.51 0.00 0.98 0.00 0.00 173.24 174.75 2x54 s ALA 101 N 1.21 3.56 0.35 5.32 0.00 -1.26 -0.20 121.76 130.74 2x54 s ALA 101 Ca -0.08 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.27 2x54 s ALA 101 Cb -0.07 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2x54 s ALA 101 CO -0.11 -0.84 -0.06 -1.21 0.00 0.00 0.00 175.76 173.53 2x54 s GLU 102 N 2.32 1.88 0.16 0.00 2.02 -0.02 -4.88 118.70 120.19 2x54 s GLU 102 Ca 0.20 -1.93 -0.11 0.00 0.02 0.00 0.00 54.97 53.15 2x54 s GLU 102 Cb -0.16 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.38 2x54 s GLU 102 CO 0.10 0.11 1.63 1.79 0.02 0.00 0.00 175.26 178.92 2x54 h THR 103 N 1.95 1.26 -4.19 3.63 1.35 -1.85 0.12 112.91 115.17 2x54 h THR 103 Ca -0.42 -1.05 -0.27 0.00 -0.55 0.00 0.00 66.41 64.12 2x54 h THR 103 Cb 1.25 0.85 -0.15 0.00 -1.73 0.00 0.00 68.15 68.37 2x54 h THR 103 CO 0.71 0.38 -0.63 0.00 -0.25 0.00 0.00 175.52 175.73 2x54 s ALA 104 N -5.10 1.31 -0.86 6.62 0.00 -1.26 -4.72 121.76 117.75 2x54 s ALA 104 Ca -0.12 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 2x54 s ALA 104 Cb 0.12 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.30 2x54 s ALA 104 CO 0.83 -0.49 1.76 1.21 0.00 0.00 0.00 175.76 179.07 2x54 s ASN 105 N -3.19 5.56 -0.53 0.00 3.84 -1.26 -4.77 114.94 114.59 2x54 s ASN 105 Ca 0.34 -0.63 -0.02 0.00 0.21 0.00 0.00 52.86 52.76 2x54 s ASN 105 Cb 0.07 -2.56 0.35 0.00 -0.55 0.00 0.00 41.25 38.56 2x54 s ASN 105 CO 0.09 -2.32 2.04 0.59 -2.79 0.00 0.00 177.10 174.72 2x54 n ASN 106 N 12.22 7.19 -4.67 -4.21 3.02 -1.26 -4.98 115.26 122.56 2x54 n ASN 106 Ca 0.31 -3.49 -0.42 0.00 -0.03 0.00 0.00 54.58 50.95 2x54 n ASN 106 Cb 0.49 -1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 2x54 n ASN 106 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x54 s SER 107 N -0.97 6.81 -0.16 6.41 0.01 -1.26 -4.74 113.70 119.80 2x54 s SER 107 Ca 0.51 2.05 -0.03 0.00 1.31 0.00 0.00 55.95 59.79 2x54 s SER 107 Cb 0.40 -2.55 -0.23 0.00 0.21 0.00 0.00 66.02 63.85 2x54 s SER 107 CO -0.02 -0.80 0.18 -0.46 0.41 0.00 0.00 173.24 172.55 2x54 n ASN 108 N 6.31 2.01 -0.90 2.44 0.23 -0.88 -4.99 115.26 119.49 2x54 n ASN 108 Ca 0.15 0.10 -0.05 0.00 -0.53 0.00 0.00 54.58 54.25 2x54 n ASN 108 Cb 0.44 -0.67 0.01 0.00 -2.08 0.00 0.00 39.78 37.47 2x54 n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x54 n GLY 109 N 2.06 0.48 3.70 4.83 0.00 -1.25 -5.01 105.19 110.00 2x54 n GLY 109 Ca -0.36 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2x54 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 110 N -2.75 3.47 -1.12 1.61 1.01 -1.26 -4.79 120.40 116.56 2x54 s VAL 110 Ca 0.08 0.95 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 2x54 s VAL 110 Cb -0.03 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2x54 s VAL 110 CO 0.10 0.03 1.68 -0.62 0.00 0.00 0.00 175.10 176.29 2x54 s ASP 111 N 1.68 6.21 0.28 3.32 -1.08 -1.26 -4.72 116.67 121.10 2x54 s ASP 111 Ca 0.66 -1.69 0.10 0.00 -0.52 0.00 0.00 52.55 51.09 2x54 s ASP 111 Cb -0.35 -2.57 0.39 0.00 -1.46 0.00 0.00 42.92 38.93 2x54 s ASP 111 CO 0.29 -1.79 1.63 0.16 0.52 0.00 0.00 175.17 175.98 2x54 h ILE 112 N 6.38 1.41 -0.22 4.11 3.07 -1.83 -1.16 117.51 129.27 2x54 h ILE 112 Ca 0.27 -1.98 -0.19 0.00 1.55 0.00 0.00 64.86 64.51 2x54 h ILE 112 Cb 0.95 2.06 -0.00 0.00 -0.27 0.00 0.00 36.82 39.56 2x54 h ILE 112 CO 1.38 0.57 -0.60 0.78 -1.05 0.00 0.00 178.15 179.23 2x54 h ASN 113 N 0.03 0.83 0.05 2.16 2.35 -1.89 -3.37 115.58 115.73 2x54 h ASN 113 Ca -0.01 -0.47 -0.38 0.00 -0.55 0.00 0.00 56.30 54.90 2x54 h ASN 113 Cb 1.04 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.12 2x54 h ASN 113 CO 0.08 1.24 -2.23 0.59 -1.65 0.00 0.00 177.43 175.46 2x54 n ASN 114 N -3.97 2.02 -0.86 5.81 3.02 -1.24 -4.86 115.26 115.18 2x54 n ASN 114 Ca -0.05 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2x54 n ASN 114 Cb 0.65 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2x54 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 115 N 2.01 5.80 3.99 7.41 0.00 -0.44 -5.15 105.19 118.82 2x54 n GLY 115 Ca -0.41 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.30 2x54 n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x54 n SER 116 N -0.53 2.04 0.00 1.61 7.64 -1.26 -4.34 113.62 118.79 2x54 n SER 116 Ca 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.37 2x54 n SER 116 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2x54 n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x54 n GLY 117 N -2.32 1.09 3.41 0.23 0.00 -1.26 -4.66 105.19 101.67 2x54 n GLY 117 Ca 0.17 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 2x54 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 118 N -1.28 3.87 -0.16 1.61 1.01 -1.26 -4.60 120.40 119.58 2x54 s VAL 118 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 2x54 s VAL 118 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2x54 s VAL 118 CO 0.00 0.41 0.63 -0.22 0.00 0.00 0.00 175.10 175.92 2x54 s LEU 119 N 1.25 4.19 -0.09 3.92 2.96 -0.45 -4.72 118.68 125.74 2x54 s LEU 119 Ca 0.04 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 2x54 s LEU 119 Cb -0.15 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2x54 s LEU 119 CO 0.01 -0.21 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.09 2x54 s LYS 120 N 1.54 2.96 -0.22 1.98 1.02 -1.26 -1.13 119.74 124.63 2x54 s LYS 120 Ca 0.30 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.40 2x54 s LYS 120 Cb -0.16 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2x54 s LYS 120 CO 0.12 0.29 0.48 0.54 -0.92 0.00 0.00 175.35 175.85 2x54 s VAL 121 N 0.10 -0.58 0.21 3.17 0.11 -1.13 -2.06 120.40 120.22 2x54 s VAL 121 Ca -0.09 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 2x54 s VAL 121 Cb -0.16 -0.74 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 2x54 s VAL 121 CO 0.06 0.05 1.03 0.00 -3.33 0.00 0.00 175.10 172.91 2x54 n PHE 123 N 1.85 0.00 -4.17 0.00 1.16 -0.85 -4.82 117.46 110.63 2x54 n PHE 123 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.42 2x54 n PHE 123 Cb 0.46 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.20 2x54 n PHE 123 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2x54 s ASP 124 N -2.26 0.75 -0.30 5.98 2.15 -1.24 -0.21 116.67 121.55 2x54 s ASP 124 Ca 0.00 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.78 2x54 s ASP 124 Cb 0.00 -0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.63 2x54 s ASP 124 CO 0.00 0.01 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.36 2x54 s ILE 125 N -0.41 2.52 -0.35 4.11 1.01 -0.06 -1.07 121.20 126.96 2x54 s ILE 125 Ca -0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.81 2x54 s ILE 125 Cb -0.04 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2x54 s ILE 125 CO -0.00 -0.21 0.19 -0.69 0.00 0.00 0.00 174.94 174.23 2x54 s VAL 126 N 1.11 4.68 -0.21 2.92 1.01 0.57 -1.02 120.40 129.46 2x54 s VAL 126 Ca -0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 2x54 s VAL 126 Cb -0.20 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2x54 s VAL 126 CO -0.04 -0.09 0.47 -0.89 0.00 0.00 0.00 175.10 174.54 2x54 s THR 127 N 1.60 5.14 0.37 3.92 2.01 0.32 -0.14 115.64 128.86 2x54 s THR 127 Ca 0.04 0.84 0.08 0.00 0.31 0.00 0.00 61.69 62.96 2x54 s THR 127 Cb -0.18 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2x54 s THR 127 CO 0.07 0.20 0.00 0.42 -0.69 0.00 0.00 174.62 174.62 2x54 s THR 128 N 1.59 2.31 0.00 -0.82 -4.23 -0.78 -0.96 115.64 112.75 2x54 s THR 128 Ca 0.21 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2x54 s THR 128 Cb -0.15 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2x54 s THR 128 CO 0.09 -0.12 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 2x54 n SER 129 N -0.95 1.52 0.08 3.99 3.41 0.66 -3.61 113.62 118.73 2x54 n SER 129 Ca -0.04 -0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.34 2x54 n SER 129 Cb 0.64 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 2x54 n SER 129 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x54 h GLY 130 N 0.00 0.23 0.00 5.00 0.00 -1.96 0.46 103.07 106.81 2x54 h GLY 130 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2x54 h GLY 130 CO 0.00 0.36 -0.79 -1.30 0.00 0.00 0.00 176.54 174.81 2x54 n THR 131 N -3.67 1.46 -1.55 4.70 -2.24 -1.26 -4.87 114.28 106.84 2x54 n THR 131 Ca -0.04 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2x54 n THR 131 Cb 0.80 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 2x54 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x54 n GLY 132 N 1.54 5.46 3.78 3.38 0.00 -1.26 -3.41 105.19 114.68 2x54 n GLY 132 Ca -0.12 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2x54 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x54 s VAL 133 N 1.17 5.17 -0.24 1.61 1.01 -1.25 -0.24 120.40 127.63 2x54 s VAL 133 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 2x54 s VAL 133 Cb 0.00 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 2x54 s VAL 133 CO 0.00 0.47 -0.20 0.35 0.00 0.00 0.00 175.10 175.72 2x54 n THR 134 N 2.75 1.52 -3.80 3.92 -2.24 -0.13 -4.86 114.28 111.44 2x54 n THR 134 Ca -0.12 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2x54 n THR 134 Cb 0.52 -2.02 -0.09 0.00 -2.10 0.00 0.00 70.33 66.65 2x54 n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x54 s SER 135 N -7.01 -0.10 -0.08 3.42 1.04 -1.03 -5.04 113.70 104.91 2x54 s SER 135 Ca -0.33 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2x54 s SER 135 Cb 0.10 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2x54 s SER 135 CO 0.49 -0.48 -0.08 -0.89 0.98 0.00 0.00 173.24 173.26 2x54 s THR 136 N -1.75 0.94 -0.18 2.02 2.01 -1.26 -0.52 115.64 116.91 2x54 s THR 136 Ca -0.11 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2x54 s THR 136 Cb -0.04 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.58 2x54 s THR 136 CO 0.01 0.33 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.43 2x54 s LYS 137 N 1.18 1.87 0.48 4.92 2.20 -0.19 -5.00 119.74 125.21 2x54 s LYS 137 Ca -0.05 -0.68 -0.18 0.00 -0.36 0.00 0.00 55.97 54.69 2x54 s LYS 137 Cb -0.14 -2.21 -0.09 0.00 -1.51 0.00 0.00 37.83 33.87 2x54 s LYS 137 CO -0.02 -0.39 0.97 -1.25 -0.36 0.00 0.00 175.35 174.30 2x54 s PRO 138 N 1.49 4.06 0.36 4.03 0.05 -1.26 -0.88 135.00 142.86 2x54 s PRO 138 Ca 0.01 1.03 -0.27 0.00 0.05 0.00 0.00 61.00 61.82 2x54 s PRO 138 Cb -0.15 -2.15 -0.09 0.00 0.05 0.00 0.00 34.50 32.15 2x54 s PRO 138 CO -0.08 -0.18 1.25 0.42 0.05 0.00 0.00 177.00 178.46 2x54 s ILE 139 N -2.43 2.87 0.43 0.56 -1.09 0.71 -4.88 121.20 117.37 2x54 s ILE 139 Ca 0.60 0.81 -0.26 0.00 -2.23 0.00 0.00 60.65 59.58 2x54 s ILE 139 Cb -0.10 -3.49 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 2x54 s ILE 139 CO 0.23 0.15 1.37 0.54 -1.23 0.00 0.00 174.94 176.00 2x54 s VAL 140 N -1.24 2.32 -0.65 2.92 0.11 -1.26 -4.94 120.40 117.66 2x54 s VAL 140 Ca 0.53 0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 59.75 2x54 s VAL 140 Cb -0.36 -3.17 0.17 0.00 -1.53 0.00 0.00 36.38 31.48 2x54 s VAL 140 CO 0.47 0.04 0.56 -1.10 -3.33 0.00 0.00 175.10 171.75 2x54 s GLN 141 N -2.34 3.06 -0.05 1.54 -0.21 -1.26 -4.65 119.66 115.75 2x54 s GLN 141 Ca 0.59 -2.13 -0.30 0.00 0.02 0.00 0.00 55.36 53.54 2x54 s GLN 141 Cb -0.41 -4.19 -0.05 0.00 1.00 0.00 0.00 33.01 29.36 2x54 s GLN 141 CO 0.53 -1.26 1.50 0.99 -2.12 0.00 0.00 175.29 174.93 2x54 s THR 142 N 0.75 3.72 -0.70 -0.19 2.01 -1.26 -5.00 115.64 114.97 2x54 s THR 142 Ca 0.11 0.97 -0.01 0.00 0.31 0.00 0.00 61.69 63.07 2x54 s THR 142 Cb -0.20 -3.62 0.18 0.00 0.01 0.00 0.00 72.50 68.86 2x54 s THR 142 CO -0.03 -0.06 0.52 -0.44 -0.69 0.00 0.00 174.62 173.92 2x54 s SER 143 N 2.58 5.30 -0.28 3.53 0.01 -1.26 -4.52 113.70 119.05 2x54 s SER 143 Ca 0.67 -3.21 -0.29 0.00 1.31 0.00 0.00 55.95 54.42 2x54 s SER 143 Cb -0.31 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2x54 s SER 143 CO 0.26 -0.27 1.40 -0.89 0.41 0.00 0.00 173.24 174.14 2x54 s THR 144 N -0.59 4.00 0.14 1.44 2.01 0.62 -5.01 115.64 118.25 2x54 s THR 144 Ca 0.21 1.12 0.06 0.00 0.31 0.00 0.00 61.69 63.38 2x54 s THR 144 Cb -0.16 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2x54 s THR 144 CO -0.07 -0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.52 2x54 s LEU 145 N 4.69 2.46 -0.16 4.42 1.43 -1.26 -4.55 118.68 125.70 2x54 s LEU 145 Ca 0.61 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2x54 s LEU 145 Cb -0.19 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 2x54 s LEU 145 CO 0.25 -0.18 -0.24 -0.67 0.23 0.00 0.00 176.35 175.75 2x54 n ASP 146 N 0.22 1.86 -3.89 2.29 -0.08 -1.26 -5.02 116.55 110.67 2x54 n ASP 146 Ca -0.13 0.51 -0.15 0.00 -1.51 0.00 0.00 54.79 53.51 2x54 n ASP 146 Cb 0.58 -0.82 -0.15 0.00 2.34 0.00 0.00 41.12 43.07 2x54 n ASP 146 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2x54 s SER 147 N -5.84 0.38 -0.10 1.67 0.15 -1.26 -5.16 113.70 103.54 2x54 s SER 147 Ca -0.21 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2x54 s SER 147 Cb 0.03 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 2x54 s SER 147 CO 0.31 -0.00 -0.20 -0.63 1.20 0.00 0.00 173.24 173.91 2x54 s ILE 148 N 0.25 2.40 -0.72 6.45 1.01 -1.26 -5.07 121.20 124.25 2x54 s ILE 148 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2x54 s ILE 148 Cb -0.05 -1.94 0.17 0.00 0.01 0.00 0.00 42.46 40.65 2x54 s ILE 148 CO -0.01 0.55 0.52 -0.44 0.00 0.00 0.00 174.94 175.57 2x54 s SER 149 N 0.23 4.95 0.21 3.58 0.01 -1.26 -5.10 113.70 116.32 2x54 s SER 149 Ca -0.13 -3.84 0.06 0.00 1.31 0.00 0.00 55.95 53.35 2x54 s SER 149 Cb -0.16 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 2x54 s SER 149 CO 0.07 -0.09 0.14 0.54 0.41 0.00 0.00 173.24 174.30 2x54 s VAL 150 N -1.44 4.33 -0.18 3.43 0.11 -1.26 -5.08 120.40 120.31 2x54 s VAL 150 Ca 0.25 -1.30 -0.15 0.00 -2.93 0.00 0.00 61.98 57.85 2x54 s VAL 150 Cb -0.05 -3.27 -0.08 0.00 -1.53 0.00 0.00 36.38 31.45 2x54 s VAL 150 CO -0.16 -0.23 -0.19 0.59 -3.33 0.00 0.00 175.10 171.78 2x54 n ASN 151 N -0.71 1.88 -4.27 3.54 3.02 -1.26 -5.05 115.26 112.41 2x54 n ASN 151 Ca -0.08 0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 54.76 2x54 n ASN 151 Cb 0.56 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2x54 n ASN 151 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2x54 s ASP 152 N -6.24 2.08 -0.09 6.41 1.01 -1.26 -5.17 116.67 113.41 2x54 s ASP 152 Ca -0.25 -0.93 -0.12 0.00 0.71 0.00 0.00 52.55 51.96 2x54 s ASP 152 Cb 0.05 -0.07 0.03 0.00 1.01 0.00 0.00 42.92 43.94 2x54 s ASP 152 CO 0.39 -0.21 0.32 -0.32 0.21 0.00 0.00 175.17 175.56 2x54 s MET 153 N -3.25 0.47 -0.13 8.23 -2.45 -1.26 -5.15 119.30 115.76 2x54 s MET 153 Ca 0.15 0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.84 2x54 s MET 153 Cb -0.02 0.22 0.03 0.00 1.25 0.00 0.00 34.83 36.32 2x54 s MET 153 CO 0.03 -0.09 -0.05 0.99 1.05 0.00 0.00 175.02 176.95 2x54 s THR 154 N -0.28 0.93 -0.14 10.11 2.01 -1.26 -5.14 115.64 121.86 2x54 s THR 154 Ca -0.04 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2x54 s THR 154 Cb -0.03 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2x54 s THR 154 CO 0.02 0.25 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.48 2x54 s VAL 155 N 1.73 4.04 -0.32 3.82 1.01 -1.26 -5.01 120.40 124.41 2x54 s VAL 155 Ca 0.03 -0.31 0.22 0.00 0.00 0.00 0.00 61.98 61.92 2x54 s VAL 155 Cb -0.14 -2.76 -0.25 0.00 0.00 0.00 0.00 36.38 33.24 2x54 s VAL 155 CO -0.08 0.51 0.71 -1.54 0.00 0.00 0.00 175.10 174.71 2x54 n SER 156 N 3.23 0.37 0.00 3.32 3.41 -1.26 -4.93 113.62 117.77 2x54 n SER 156 Ca -0.17 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2x54 n SER 156 Cb 0.53 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 2x54 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x54 n GLY 157 N 1.31 0.94 3.30 5.00 0.00 -1.26 -5.17 105.19 109.31 2x54 n GLY 157 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2x54 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x54 s SER 158 N 0.53 -0.23 -0.19 1.61 0.01 -1.26 -5.16 113.70 109.01 2x54 s SER 158 Ca 0.00 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 2x54 s SER 158 Cb 0.00 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 2x54 s SER 158 CO 0.00 -0.66 -0.04 -0.63 0.41 0.00 0.00 173.24 172.32 2x54 s ILE 159 N -2.60 3.63 -0.33 1.44 1.01 -1.26 -5.09 121.20 118.00 2x54 s ILE 159 Ca -0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2x54 s ILE 159 Cb -0.01 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 2x54 s ILE 159 CO -0.03 0.45 0.65 -0.62 0.00 0.00 0.00 174.94 175.39 2x54 s ASP 160 N 0.92 6.48 0.10 3.58 -1.08 -1.26 -5.07 116.67 120.34 2x54 s ASP 160 Ca -0.00 0.32 0.06 0.00 -0.52 0.00 0.00 52.55 52.40 2x54 s ASP 160 Cb -0.15 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 2x54 s ASP 160 CO 0.01 -0.55 -0.03 0.68 0.52 0.00 0.00 175.17 175.80 2x54 s VAL 161 N 2.70 3.82 -0.06 1.11 -7.23 -1.26 -5.08 120.40 114.39 2x54 s VAL 161 Ca 0.26 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 2x54 s VAL 161 Cb -0.15 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 2x54 s VAL 161 CO 0.13 0.11 1.83 -2.84 -0.31 0.00 0.00 175.10 174.02 2x54 s PRO 162 N -2.31 3.99 -0.20 4.82 0.02 -1.26 -4.68 135.00 135.38 2x54 s PRO 162 Ca 0.25 2.26 -0.08 0.00 0.02 0.00 0.00 61.00 63.45 2x54 s PRO 162 Cb -0.11 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 2x54 s PRO 162 CO 0.17 -1.09 0.07 0.08 -0.33 0.00 0.00 177.00 175.90 2x54 s VAL 163 N 4.85 4.78 -0.07 3.83 1.01 -1.26 -1.24 120.40 132.29 2x54 s VAL 163 Ca 0.82 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2x54 s VAL 163 Cb -0.36 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2x54 s VAL 163 CO 0.35 0.43 -0.19 -1.10 0.00 0.00 0.00 175.10 174.59 2x54 s GLN 164 N 0.60 2.28 0.03 2.72 1.11 0.63 -5.00 119.66 122.03 2x54 s GLN 164 Ca 0.04 -0.67 0.09 0.00 0.01 0.00 0.00 55.36 54.82 2x54 s GLN 164 Cb -0.13 -1.83 -0.03 0.00 -1.01 0.00 0.00 33.01 30.01 2x54 s GLN 164 CO 0.01 0.17 -0.24 0.95 0.01 0.00 0.00 175.29 176.19 2x54 s THR 165 N 0.31 2.29 -0.11 -0.19 -4.23 -1.26 -0.37 115.64 112.08 2x54 s THR 165 Ca -0.12 -1.30 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 2x54 s THR 165 Cb -0.15 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.82 2x54 s THR 165 CO 0.05 0.39 0.27 -0.22 -0.54 0.00 0.00 174.62 174.58 2x54 s LEU 166 N -1.20 0.80 -0.31 4.79 2.96 -0.84 -5.03 118.68 119.86 2x54 s LEU 166 Ca 0.12 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2x54 s LEU 166 Cb -0.10 0.92 0.07 0.00 0.50 0.00 0.00 46.19 47.58 2x54 s LEU 166 CO 0.02 -0.11 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.04 2x54 s THR 167 N 0.42 2.52 -0.23 3.68 2.01 -1.26 -0.77 115.64 122.00 2x54 s THR 167 Ca -0.02 -1.80 -0.09 0.00 0.31 0.00 0.00 61.69 60.08 2x54 s THR 167 Cb -0.04 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2x54 s THR 167 CO -0.02 -0.27 0.13 -0.69 -0.69 0.00 0.00 174.62 173.08 2x54 s VAL 168 N 1.09 5.06 -1.16 3.82 1.01 -0.53 -4.95 120.40 124.75 2x54 s VAL 168 Ca -0.01 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2x54 s VAL 168 Cb -0.20 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 32.99 2x54 s VAL 168 CO -0.05 0.36 1.38 -1.61 0.00 0.00 0.00 175.10 175.18 2x54 s GLU 169 N 1.06 4.00 0.38 2.72 0.41 -1.26 -1.10 118.70 124.91 2x54 s GLU 169 Ca 0.06 -2.43 0.17 0.00 -0.41 0.00 0.00 54.97 52.36 2x54 s GLU 169 Cb -0.14 -5.04 1.08 0.00 -1.78 0.00 0.00 34.13 28.25 2x54 s GLU 169 CO 0.04 -1.77 1.75 0.00 -0.49 0.00 0.00 175.26 174.79 2x54 h ALA 170 N 7.46 2.16 0.00 5.21 0.00 -1.57 -0.47 119.26 132.05 2x54 h ALA 170 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2x54 h ALA 170 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x54 h ALA 170 CO 1.22 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2x54 n GLY 171 N -1.43 1.94 3.98 0.00 0.00 -1.22 -1.58 105.19 106.88 2x54 n GLY 171 Ca 0.27 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2x54 n GLY 171 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x54 n ASN 172 N 0.00 0.00 0.00 1.61 4.13 -1.26 -1.59 115.26 118.15 2x54 n ASN 172 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2x54 n ASN 172 Cb 0.00 -2.42 0.00 0.00 -1.54 0.00 0.00 39.78 35.82 2x54 n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x54 n GLY 173 N -2.00 1.79 3.61 7.41 0.00 -1.26 -0.10 105.19 114.64 2x54 n GLY 173 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2x54 n GLY 173 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x54 s LEU 174 N 0.00 3.33 -0.06 0.99 2.96 -0.62 -0.87 118.68 124.41 2x54 s LEU 174 Ca 0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2x54 s LEU 174 Cb 0.00 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2x54 s LEU 174 CO 0.00 0.36 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.65 2x54 s GLN 175 N -0.75 1.83 -0.17 1.98 0.74 0.36 -2.02 119.66 121.62 2x54 s GLN 175 Ca 0.12 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.99 2x54 s GLN 175 Cb -0.11 -1.53 0.02 0.00 1.10 0.00 0.00 33.01 32.49 2x54 s GLN 175 CO 0.02 0.15 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.22 2x54 s LEU 176 N 0.31 2.05 -0.53 3.68 1.43 -0.26 -1.07 118.68 124.29 2x54 s LEU 176 Ca -0.09 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 2x54 s LEU 176 Cb -0.14 -1.38 0.13 0.00 0.03 0.00 0.00 46.19 44.84 2x54 s LEU 176 CO 0.03 -0.03 0.46 -1.58 0.23 0.00 0.00 176.35 175.46 2x54 s GLN 177 N 1.35 2.83 -0.01 1.70 -0.44 -0.38 -1.45 119.66 123.27 2x54 s GLN 177 Ca 0.04 -1.77 -0.16 0.00 -2.50 0.00 0.00 55.36 50.96 2x54 s GLN 177 Cb -0.13 -4.17 -0.06 0.00 -1.64 0.00 0.00 33.01 27.01 2x54 s GLN 177 CO -0.12 -1.28 0.45 -0.51 0.50 0.00 0.00 175.29 174.33 2x54 s LEU 178 N 1.43 4.45 -0.38 3.68 1.02 0.05 -1.07 118.68 127.85 2x54 s LEU 178 Ca 0.05 0.99 0.01 0.00 0.02 0.00 0.00 54.13 55.20 2x54 s LEU 178 Cb -0.28 -2.66 0.12 0.00 0.02 0.00 0.00 46.19 43.39 2x54 s LEU 178 CO 0.01 0.26 0.18 -0.89 0.02 0.00 0.00 176.35 175.93 2x54 s THR 179 N -0.76 1.07 -0.12 5.49 2.01 -1.05 -1.98 115.64 120.30 2x54 s THR 179 Ca 0.25 -2.05 -0.24 0.00 0.31 0.00 0.00 61.69 59.97 2x54 s THR 179 Cb -0.17 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2x54 s THR 179 CO 0.14 -0.83 0.74 -0.75 -0.69 0.00 0.00 174.62 173.23 2x54 s LYS 180 N 0.89 4.36 -0.07 4.92 2.20 0.50 -2.84 119.74 129.71 2x54 s LYS 180 Ca 0.15 0.90 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 2x54 s LYS 180 Cb -0.22 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2x54 s LYS 180 CO -0.08 -0.11 -0.17 0.15 -0.36 0.00 0.00 175.35 174.78 2x54 s LYS 181 N 1.39 2.11 -2.07 4.03 1.02 -0.28 -0.27 119.74 125.67 2x54 s LYS 181 Ca 0.37 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2x54 s LYS 181 Cb -0.17 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2x54 s LYS 181 CO 0.15 0.14 0.00 -1.71 -0.92 0.00 0.00 175.35 173.01 2x54 n ASN 182 N 3.53 -5.40 -2.14 2.83 5.15 -0.38 -2.41 115.26 116.45 2x54 n ASN 182 Ca -0.20 0.48 -0.20 0.00 -0.60 0.00 0.00 54.58 54.06 2x54 n ASN 182 Cb 0.52 -4.61 -0.03 0.00 -0.53 0.00 0.00 39.78 35.14 2x54 n ASN 182 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2x54 n ASN 183 N -1.20 -5.67 0.00 1.20 3.02 -1.26 -4.85 115.26 106.50 2x54 n ASN 183 Ca -0.19 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2x54 n ASN 183 Cb 0.65 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 2x54 n ASN 183 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2x54 n ASP 184 N -1.72 0.00 -4.70 6.41 2.03 -1.01 -4.67 116.55 112.89 2x54 n ASP 184 Ca -0.23 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.66 2x54 n ASP 184 Cb 0.68 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.05 2x54 n ASP 184 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2x54 s LEU 185 N -4.26 4.31 -0.08 -2.67 2.96 -1.14 -1.47 118.68 116.33 2x54 s LEU 185 Ca 0.00 1.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2x54 s LEU 185 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2x54 s LEU 185 CO 0.00 -0.48 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.77 2x54 s VAL 186 N 1.68 1.00 -0.29 1.68 1.01 -0.64 -1.13 120.40 123.72 2x54 s VAL 186 Ca 0.55 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2x54 s VAL 186 Cb -0.24 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 2x54 s VAL 186 CO 0.24 0.34 0.09 -0.63 0.00 0.00 0.00 175.10 175.15 2x54 s ILE 187 N 1.20 4.20 -0.19 2.22 1.01 -1.13 -1.81 121.20 126.70 2x54 s ILE 187 Ca -0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 2x54 s ILE 187 Cb -0.14 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2x54 s ILE 187 CO -0.02 0.14 0.19 -0.69 0.00 0.00 0.00 174.94 174.56 2x54 s VAL 188 N 1.56 5.37 -0.17 2.92 1.01 0.13 -2.52 120.40 128.69 2x54 s VAL 188 Ca 0.04 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2x54 s VAL 188 Cb -0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2x54 s VAL 188 CO 0.04 0.41 0.01 -0.13 0.00 0.00 0.00 175.10 175.43 2x54 s ARG 189 N 0.46 3.80 -0.03 2.72 0.52 -0.24 -1.29 118.95 124.90 2x54 s ARG 189 Ca 0.11 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 54.64 2x54 s ARG 189 Cb -0.12 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2x54 s ARG 189 CO 0.00 0.23 0.71 -0.06 0.02 0.00 0.00 175.30 176.20 2x54 s PHE 190 N 0.44 3.63 0.05 -0.53 0.08 -0.02 -1.25 117.98 120.38 2x54 s PHE 190 Ca -0.00 1.31 -0.03 0.00 0.12 0.00 0.00 56.93 58.32 2x54 s PHE 190 Cb -0.13 -2.79 -0.02 0.00 -0.57 0.00 0.00 43.02 39.50 2x54 s PHE 190 CO 0.02 0.17 0.04 -0.06 -0.10 0.00 0.00 175.22 175.28 2x54 s PHE 191 N 0.46 0.36 0.00 0.36 0.08 -0.23 -3.98 117.98 115.03 2x54 s PHE 191 Ca 0.37 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2x54 s PHE 191 Cb -0.19 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.01 2x54 s PHE 191 CO 0.20 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 2x54 n GLY 192 N 0.32 -1.80 2.66 4.36 0.00 -1.25 -0.49 105.19 108.98 2x54 n GLY 192 Ca -0.16 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 2x54 n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x54 s SER 193 N -4.00 2.98 0.16 1.61 0.01 -0.05 -0.73 113.70 113.68 2x54 s SER 193 Ca 0.00 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 2x54 s SER 193 Cb 0.00 -0.47 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 2x54 s SER 193 CO 0.00 -0.36 1.16 -0.69 0.41 0.00 0.00 173.24 173.77 2x54 s VAL 194 N 1.97 3.76 -0.04 3.43 1.01 -0.99 -4.32 120.40 125.21 2x54 s VAL 194 Ca 0.03 1.45 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 2x54 s VAL 194 Cb -0.17 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2x54 s VAL 194 CO -0.16 0.22 0.19 -0.94 0.00 0.00 0.00 175.10 174.41 2x54 s SER 195 N 0.22 -0.13 -0.60 3.32 1.04 0.86 -2.53 113.70 115.88 2x54 s SER 195 Ca 0.53 0.17 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 2x54 s SER 195 Cb -0.31 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.15 2x54 s SER 195 CO 0.35 -0.20 0.65 0.59 0.98 0.00 0.00 173.24 175.60 2x54 n ASN 196 N 2.31 -7.59 -3.74 7.02 4.13 -1.02 -4.69 115.26 111.68 2x54 n ASN 196 Ca -0.17 0.13 -0.13 0.00 1.68 0.00 0.00 54.58 56.08 2x54 n ASN 196 Cb 0.57 -4.96 -0.09 0.00 -1.54 0.00 0.00 39.78 33.76 2x54 n ASN 196 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2x54 s ILE 197 N -2.76 0.04 0.26 2.41 1.10 -0.74 -4.96 121.20 116.54 2x54 s ILE 197 Ca 0.12 -0.29 0.10 0.00 -0.51 0.00 0.00 60.65 60.07 2x54 s ILE 197 Cb -0.03 -0.60 -0.04 0.00 0.15 0.00 0.00 42.46 41.93 2x54 s ILE 197 CO 0.77 -0.16 -0.04 -1.10 -2.11 0.00 0.00 174.94 172.30 2x54 s GLN 198 N -0.82 2.18 0.16 3.50 -0.21 -1.26 -0.23 119.66 122.98 2x54 s GLN 198 Ca -0.09 -1.45 -0.31 0.00 0.02 0.00 0.00 55.36 53.54 2x54 s GLN 198 Cb -0.04 -2.10 -0.09 0.00 1.00 0.00 0.00 33.01 31.78 2x54 s GLN 198 CO 0.03 0.37 1.37 -1.59 -2.12 0.00 0.00 175.29 173.36 2x54 s LYS 199 N -3.54 4.33 0.00 2.91 -2.85 -1.26 -2.92 119.74 116.42 2x54 s LYS 199 Ca 0.30 2.10 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 2x54 s LYS 199 Cb -0.07 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2x54 s LYS 199 CO 0.19 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2x54 n GLY 200 N 2.97 1.38 3.83 0.59 0.00 -0.18 -5.01 105.19 108.76 2x54 n GLY 200 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2x54 n GLY 200 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x54 s TRP 201 N -3.50 3.59 0.79 1.61 0.52 -1.15 -4.82 118.94 115.98 2x54 s TRP 201 Ca 0.00 1.23 -0.11 0.00 0.02 0.00 0.00 56.10 57.24 2x54 s TRP 201 Cb 0.00 -2.50 0.06 0.00 -1.15 0.00 0.00 33.47 29.88 2x54 s TRP 201 CO 0.00 0.34 1.09 1.21 0.02 0.00 0.00 176.95 179.60 2x54 s ASN 202 N -1.78 4.50 -0.03 2.95 2.47 -1.26 -1.63 114.94 120.15 2x54 s ASN 202 Ca 0.43 1.50 -0.23 0.00 0.42 0.00 0.00 52.86 54.97 2x54 s ASN 202 Cb -0.15 -2.25 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2x54 s ASN 202 CO 0.20 -1.99 0.70 -0.04 -3.72 0.00 0.00 177.10 172.25 2x54 s MET 203 N -5.04 4.43 0.21 0.43 -1.94 -0.48 -4.82 119.30 112.08 2x54 s MET 203 Ca 0.61 0.91 -0.09 0.00 -1.71 0.00 0.00 55.69 55.40 2x54 s MET 203 Cb -0.15 -3.41 0.15 0.00 2.01 0.00 0.00 34.83 33.43 2x54 s MET 203 CO 0.55 0.17 1.82 0.66 -0.01 0.00 0.00 175.02 178.21 2x54 h SER 204 N 6.29 0.98 0.00 3.03 4.64 -1.87 -3.46 113.55 123.16 2x54 h SER 204 Ca -0.42 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2x54 h SER 204 Cb 1.20 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2x54 h SER 204 CO 0.73 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 2x54 n GLY 205 N -1.05 0.39 3.75 -0.77 0.00 -0.61 -4.94 105.19 101.96 2x54 n GLY 205 Ca 0.07 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2x54 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x54 s THR 206 N 0.00 2.38 0.29 2.61 2.01 -0.18 -4.81 115.64 117.93 2x54 s THR 206 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2x54 s THR 206 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2x54 s THR 206 CO 0.00 -0.01 0.47 0.26 -0.69 0.00 0.00 174.62 174.65 2x54 s TRP 207 N -1.39 3.48 0.10 4.92 0.52 -1.26 -4.19 118.94 121.11 2x54 s TRP 207 Ca 0.71 0.28 -0.31 0.00 0.02 0.00 0.00 56.10 56.80 2x54 s TRP 207 Cb -0.36 -1.83 -0.07 0.00 -1.15 0.00 0.00 33.47 30.06 2x54 s TRP 207 CO 0.43 0.25 1.31 0.08 0.02 0.00 0.00 176.95 179.03 2x54 s VAL 208 N -2.13 3.60 0.62 4.03 1.01 -0.32 -4.99 120.40 122.21 2x54 s VAL 208 Ca 0.39 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 2x54 s VAL 208 Cb -0.10 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2x54 s VAL 208 CO 0.33 0.09 1.22 -1.81 0.00 0.00 0.00 175.10 174.93 2x54 s ASP 209 N 1.05 4.96 0.26 3.32 1.11 -1.26 -4.53 116.67 121.57 2x54 s ASP 209 Ca 0.62 2.41 -0.03 0.00 0.18 0.00 0.00 52.55 55.73 2x54 s ASP 209 Cb -0.34 -2.60 0.52 0.00 1.07 0.00 0.00 42.92 41.58 2x54 s ASP 209 CO 0.30 -1.75 1.69 -0.09 1.18 0.00 0.00 175.17 176.50 2x54 h ARG 210 N 0.65 0.32 0.00 8.23 2.43 -1.96 -2.11 114.38 121.94 2x54 h ARG 210 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2x54 h ARG 210 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2x54 h ARG 210 CO 0.54 0.21 0.00 -1.35 -1.51 0.00 0.00 179.97 177.86 2x54 h PRO 211 N 0.33 0.00 -0.02 0.20 0.11 -2.03 -2.85 132.00 127.74 2x54 h PRO 211 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2x54 h PRO 211 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2x54 h PRO 211 CO -0.50 0.00 -0.26 1.19 -0.21 0.00 0.00 178.00 178.22 2x54 n PHE 212 N -3.07 0.00 -2.33 0.65 3.72 -0.82 -4.97 117.46 110.64 2x54 n PHE 212 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2x54 n PHE 212 Cb 0.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 2x54 n PHE 212 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2x54 s ARG 213 N -2.27 4.32 0.77 -1.08 0.52 -1.03 -4.96 118.95 115.24 2x54 s ARG 213 Ca 0.23 1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 57.16 2x54 s ARG 213 Cb 0.19 -3.54 0.06 0.00 0.52 0.00 0.00 34.95 32.18 2x54 s ARG 213 CO 0.45 -0.50 1.15 -1.25 0.02 0.00 0.00 175.30 175.17 2x54 s PRO 214 N 2.18 2.27 0.18 3.54 0.04 -1.26 -4.95 135.00 137.00 2x54 s PRO 214 Ca 0.60 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 2x54 s PRO 214 Cb -0.29 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2x54 s PRO 214 CO 0.25 -1.41 1.51 0.00 0.04 0.00 0.00 177.00 177.39 2x54 h ALA 215 N -0.92 0.68 -2.18 8.56 0.00 -1.74 -3.39 119.26 120.27 2x54 h ALA 215 Ca -0.46 -0.47 -0.41 0.00 0.00 0.00 0.00 54.91 53.58 2x54 h ALA 215 Cb 1.30 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2x54 h ALA 215 CO 0.65 0.67 -0.69 0.00 0.00 0.00 0.00 179.25 179.88 2x54 s ALA 216 N -4.23 1.88 -0.20 0.00 0.00 -1.26 -4.77 121.76 113.18 2x54 s ALA 216 Ca -0.09 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2x54 s ALA 216 Cb 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2x54 s ALA 216 CO 0.86 -0.10 1.94 0.54 0.00 0.00 0.00 175.76 178.99 2x54 s VAL 217 N -3.21 3.28 -0.26 0.00 0.11 -1.26 -4.59 120.40 114.46 2x54 s VAL 217 Ca 0.24 0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 2x54 s VAL 217 Cb 0.03 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2x54 s VAL 217 CO 0.07 -0.16 0.27 -1.10 -3.33 0.00 0.00 175.10 170.84 2x54 s GLN 218 N 5.48 4.01 -0.56 1.54 -1.52 -1.08 -4.93 119.66 122.59 2x54 s GLN 218 Ca 0.87 -0.14 -0.22 0.00 -1.95 0.00 0.00 55.36 53.92 2x54 s GLN 218 Cb -0.30 -3.63 0.06 0.00 -0.22 0.00 0.00 33.01 28.92 2x54 s GLN 218 CO 0.34 -0.16 0.84 -1.12 -0.25 0.00 0.00 175.29 174.94 2x54 s SER 219 N 1.54 6.26 -0.30 5.90 0.01 -1.26 -2.03 113.70 123.82 2x54 s SER 219 Ca 0.11 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.55 2x54 s SER 219 Cb -0.15 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2x54 s SER 219 CO 0.09 -1.17 0.15 -0.76 0.41 0.00 0.00 173.24 171.96 2x54 s LEU 220 N 3.51 3.99 0.12 2.44 1.43 0.01 -4.93 118.68 125.25 2x54 s LEU 220 Ca 0.23 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 2x54 s LEU 220 Cb -0.16 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 2x54 s LEU 220 CO 0.14 -0.14 0.97 -0.69 0.23 0.00 0.00 176.35 176.86 2x54 s VAL 221 N 1.64 4.44 0.19 -1.59 1.01 -1.26 -1.25 120.40 123.59 2x54 s VAL 221 Ca 0.05 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.08 2x54 s VAL 221 Cb -0.17 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 2x54 s VAL 221 CO 0.07 0.32 0.03 0.61 0.00 0.00 0.00 175.10 176.12 2x54 n GLY 222 N 2.22 3.85 3.25 4.51 0.00 0.13 -4.55 105.19 114.60 2x54 n GLY 222 Ca 0.02 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2x54 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2x54 s HIS 223 N -1.95 -0.27 -0.35 1.61 2.46 -0.19 -2.78 115.29 113.82 2x54 s HIS 223 Ca 0.04 0.56 -0.20 0.00 0.47 0.00 0.00 55.06 55.93 2x54 s HIS 223 Cb 0.00 0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 2x54 s HIS 223 CO 0.03 -0.31 0.63 -0.06 -2.47 0.00 0.00 174.74 172.55 2x54 s PHE 224 N -0.72 3.16 0.10 3.88 0.08 -1.09 -1.17 117.98 122.22 2x54 s PHE 224 Ca -0.08 0.37 -0.35 0.00 0.12 0.00 0.00 56.93 56.99 2x54 s PHE 224 Cb -0.04 -3.10 -0.14 0.00 -0.57 0.00 0.00 43.02 39.16 2x54 s PHE 224 CO 0.03 -0.60 1.57 0.00 -0.10 0.00 0.00 175.22 176.12 2x54 n ALA 225 N 6.00 0.73 -1.16 5.36 0.00 -0.75 -2.27 120.51 128.43 2x54 n ALA 225 Ca -0.01 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 2x54 n ALA 225 Cb 0.49 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2x54 n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x54 n GLY 226 N 3.36 0.81 3.37 0.00 0.00 -1.26 -4.79 105.19 106.68 2x54 n GLY 226 Ca 0.18 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2x54 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 s ARG 227 N -2.36 1.58 -0.12 1.61 0.52 -0.96 -5.06 118.95 114.16 2x54 s ARG 227 Ca 0.00 -1.89 0.15 0.00 -0.52 0.00 0.00 55.73 53.47 2x54 s ARG 227 Cb 0.00 -0.37 0.51 0.00 0.52 0.00 0.00 34.95 35.61 2x54 s ARG 227 CO 0.00 -0.35 1.43 -0.40 0.02 0.00 0.00 175.30 176.00 2x54 n ASP 228 N -0.75 3.87 -4.77 0.23 5.68 -1.26 -4.86 116.55 114.68 2x54 n ASP 228 Ca -0.01 -2.62 -0.34 0.00 -0.50 0.00 0.00 54.79 51.32 2x54 n ASP 228 Cb 0.66 -0.47 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 2x54 n ASP 228 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2x54 s THR 229 N -2.13 4.76 0.43 2.12 -4.23 -1.26 -5.09 115.64 110.24 2x54 s THR 229 Ca 0.39 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 2x54 s THR 229 Cb 0.28 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2x54 s THR 229 CO 0.14 0.46 0.08 -0.94 -0.54 0.00 0.00 174.62 173.82 2x54 s SER 230 N -1.40 3.19 0.23 3.99 1.04 -1.26 -2.66 113.70 116.84 2x54 s SER 230 Ca 0.19 -1.62 -0.12 0.00 0.48 0.00 0.00 55.95 54.88 2x54 s SER 230 Cb -0.12 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2x54 s SER 230 CO 0.09 -0.85 0.43 0.72 0.98 0.00 0.00 173.24 174.61 2x54 s PHE 231 N -3.10 0.41 -0.12 5.02 -0.12 -1.12 -4.65 117.98 114.30 2x54 s PHE 231 Ca 0.20 -0.76 -0.10 0.00 -0.05 0.00 0.00 56.93 56.23 2x54 s PHE 231 Cb 0.03 0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2x54 s PHE 231 CO 0.11 -0.93 0.32 -3.38 -0.05 0.00 0.00 175.22 171.29 2x54 s HIS 232 N -4.02 -0.37 0.04 3.49 -3.43 -1.26 0.22 115.29 109.97 2x54 s HIS 232 Ca 0.22 0.88 0.06 0.00 -0.80 0.00 0.00 55.06 55.42 2x54 s HIS 232 Cb 0.00 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2x54 s HIS 232 CO 0.08 -0.19 -0.12 0.96 -2.00 0.00 0.00 174.74 173.46 2x54 s ILE 233 N 0.39 3.21 -0.39 -5.38 -4.36 -0.38 -1.91 121.20 112.38 2x54 s ILE 233 Ca -0.02 -1.05 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 2x54 s ILE 233 Cb -0.04 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.34 2x54 s ILE 233 CO -0.02 0.31 0.21 -1.81 0.24 0.00 0.00 174.94 173.88 2x54 s ASP 234 N -1.58 5.55 -0.77 4.36 1.11 0.07 -0.81 116.67 124.60 2x54 s ASP 234 Ca 0.17 -1.37 -0.19 0.00 0.18 0.00 0.00 52.55 51.33 2x54 s ASP 234 Cb -0.11 -1.95 0.11 0.00 1.07 0.00 0.00 42.92 42.04 2x54 s ASP 234 CO 0.08 -0.46 0.97 -0.63 1.18 0.00 0.00 175.17 176.30 2x54 s ILE 235 N 1.42 4.70 0.69 0.77 1.01 -0.86 -0.99 121.20 127.94 2x54 s ILE 235 Ca 0.02 -1.18 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 2x54 s ILE 235 Cb -0.22 -4.67 0.02 0.00 0.01 0.00 0.00 42.46 37.60 2x54 s ILE 235 CO 0.03 -1.38 1.13 0.20 0.00 0.00 0.00 174.94 174.92 2x54 s ASN 236 N 3.54 4.80 0.64 3.58 0.01 -0.43 -2.65 114.94 124.43 2x54 s ASN 236 Ca 0.24 2.07 0.41 0.00 -0.71 0.00 0.00 52.86 54.88 2x54 s ASN 236 Cb -0.13 -2.56 2.21 0.00 0.41 0.00 0.00 41.25 41.19 2x54 s ASN 236 CO -0.01 -1.84 2.31 -0.65 -1.51 0.00 0.00 177.10 175.40 2x54 h PRO 237 N -0.18 0.00 -0.00 -0.60 0.11 -1.81 -2.28 132.00 127.24 2x54 h PRO 237 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x54 h PRO 237 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x54 h PRO 237 CO 0.52 0.01 -0.01 0.27 -0.21 0.00 0.00 178.00 178.58 2x54 n ASN 238 N -3.18 0.20 0.00 -2.05 6.94 -1.26 -4.68 115.26 111.23 2x54 n ASN 238 Ca -0.03 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 53.74 2x54 n ASN 238 Cb 0.11 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 2x54 n ASN 238 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x54 n GLY 239 N 1.12 1.78 3.77 4.83 0.00 -0.86 -4.93 105.19 110.90 2x54 n GLY 239 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2x54 n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x54 s SER 240 N -1.54 6.66 -0.21 1.61 1.04 -1.26 -1.18 113.70 118.82 2x54 s SER 240 Ca 0.00 2.57 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 2x54 s SER 240 Cb 0.00 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 2x54 s SER 240 CO 0.00 -0.60 -0.02 -0.63 0.98 0.00 0.00 173.24 172.97 2x54 s ILE 241 N -1.23 3.64 -0.20 -1.02 1.01 -1.26 -1.32 121.20 120.83 2x54 s ILE 241 Ca 0.52 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2x54 s ILE 241 Cb -0.37 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2x54 s ILE 241 CO 0.48 0.43 -0.07 -0.89 0.00 0.00 0.00 174.94 174.88 2x54 s THR 242 N 1.21 3.19 0.22 2.92 2.01 -0.16 -1.38 115.64 123.63 2x54 s THR 242 Ca 0.03 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2x54 s THR 242 Cb -0.14 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 2x54 s THR 242 CO -0.00 0.45 1.21 0.86 -0.69 0.00 0.00 174.62 176.45 2x54 s TRP 243 N 1.25 3.39 -0.02 4.92 -0.11 -0.65 -0.75 118.94 126.98 2x54 s TRP 243 Ca 0.03 1.44 0.21 0.00 1.22 0.00 0.00 56.10 58.99 2x54 s TRP 243 Cb -0.14 -3.45 0.36 0.00 -1.50 0.00 0.00 33.47 28.73 2x54 s TRP 243 CO -0.03 -1.26 1.15 0.91 -4.62 0.00 0.00 176.95 173.10 2x54 n TRP 244 N 2.16 0.00 -1.72 5.86 7.02 -0.80 -1.02 117.44 128.94 2x54 n TRP 244 Ca 0.03 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 56.02 2x54 n TRP 244 Cb 0.44 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 2x54 n TRP 244 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2x54 n GLY 245 N 0.28 2.24 3.83 6.99 0.00 -1.25 -4.47 105.19 112.81 2x54 n GLY 245 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2x54 n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x54 s ALA 246 N -2.33 2.93 0.12 4.61 0.00 -1.26 -4.48 121.76 121.36 2x54 s ALA 246 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 2x54 s ALA 246 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 2x54 s ALA 246 CO 0.00 -0.49 1.38 -0.80 0.00 0.00 0.00 175.76 175.85 2x54 s ASN 247 N -2.95 6.84 -0.17 0.00 0.01 -1.26 -4.76 114.94 112.64 2x54 s ASN 247 Ca 0.61 2.33 -0.06 0.00 -0.71 0.00 0.00 52.86 55.02 2x54 s ASN 247 Cb -0.13 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2x54 s ASN 247 CO 0.34 -0.64 0.04 -0.63 -1.51 0.00 0.00 177.10 174.70 2x54 s ILE 248 N 1.01 4.58 0.40 0.60 -1.09 0.69 -4.98 121.20 122.41 2x54 s ILE 248 Ca 0.64 -0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.91 2x54 s ILE 248 Cb -0.37 -3.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.55 2x54 s ILE 248 CO 0.31 0.48 0.54 -0.90 -1.23 0.00 0.00 174.94 174.14 2x54 n ASP 249 N 3.44 0.34 -0.31 3.58 5.68 -1.26 -1.78 116.55 126.23 2x54 n ASP 249 Ca -0.17 -1.38 0.17 0.00 -0.50 0.00 0.00 54.79 52.91 2x54 n ASP 249 Cb 0.52 -0.39 0.42 0.00 -1.14 0.00 0.00 41.12 40.53 2x54 n ASP 249 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2x54 h LYS 250 N 0.00 0.57 -6.49 0.11 2.10 -1.97 -2.69 116.57 108.19 2x54 h LYS 250 Ca -0.18 -0.03 -0.53 0.00 -2.00 0.00 0.00 60.65 57.91 2x54 h LYS 250 Cb 0.56 -0.13 0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2x54 h LYS 250 CO 0.15 0.38 0.97 0.99 -2.00 0.00 0.00 179.45 179.94 2x54 s THR 251 N -5.65 2.91 -0.05 0.07 2.01 -1.26 -4.63 115.64 109.04 2x54 s THR 251 Ca -0.10 0.46 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 2x54 s THR 251 Cb 0.24 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2x54 s THR 251 CO 0.80 0.01 0.61 -2.16 -0.69 0.00 0.00 174.62 173.18 2x54 s PRO 252 N 2.25 4.37 -0.14 4.92 0.05 -1.26 -4.67 135.00 140.51 2x54 s PRO 252 Ca 0.73 0.73 -0.01 0.00 0.05 0.00 0.00 61.00 62.49 2x54 s PRO 252 Cb -0.41 -3.40 -0.02 0.00 0.05 0.00 0.00 34.50 30.72 2x54 s PRO 252 CO 0.32 0.21 -0.10 0.42 0.05 0.00 0.00 177.00 177.90 2x54 s ILE 253 N 0.36 3.30 0.22 0.56 1.01 -1.05 -4.89 121.20 120.71 2x54 s ILE 253 Ca 0.32 -0.57 -0.32 0.00 0.00 0.00 0.00 60.65 60.09 2x54 s ILE 253 Cb -0.17 -2.41 -0.12 0.00 0.01 0.00 0.00 42.46 39.76 2x54 s ILE 253 CO 0.16 0.51 1.67 0.00 0.00 0.00 0.00 174.94 177.28 2x54 n ALA 254 N 3.61 2.55 -3.68 9.38 0.00 -1.26 -2.35 120.51 128.76 2x54 n ALA 254 Ca -0.18 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2x54 n ALA 254 Cb 0.52 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 2x54 n ALA 254 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x54 s THR 255 N 0.84 2.88 0.12 0.00 -4.23 0.10 -1.80 115.64 113.54 2x54 s THR 255 Ca 0.73 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2x54 s THR 255 Cb -0.53 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 2x54 s THR 255 CO 0.37 0.47 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.71 2x54 s ARG 256 N 1.32 0.92 0.00 3.99 1.81 -0.32 -2.87 118.95 123.80 2x54 s ARG 256 Ca 0.04 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 2x54 s ARG 256 Cb -0.14 -0.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.99 2x54 s ARG 256 CO -0.06 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 2x54 n GLY 257 N -0.07 3.47 3.04 -3.53 0.00 -1.26 -1.02 105.19 105.83 2x54 n GLY 257 Ca -0.12 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 2x54 n GLY 257 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x54 s ASN 258 N 0.00 1.84 -0.06 1.61 -0.87 -1.26 -0.84 114.94 115.36 2x54 s ASN 258 Ca 0.00 -0.31 -0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2x54 s ASN 258 Cb 0.00 -0.82 0.03 0.00 -0.02 0.00 0.00 41.25 40.43 2x54 s ASN 258 CO 0.00 0.05 -0.02 -0.83 -2.57 0.00 0.00 177.10 173.73 2x54 s GLY 259 N 0.59 0.49 -0.02 0.66 0.00 -0.41 -4.90 107.32 103.73 2x54 s GLY 259 Ca -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2x54 s GLY 259 CO 0.04 0.82 0.06 -1.35 0.00 0.00 0.00 173.10 172.67 2x54 s SER 260 N 1.51 5.57 0.11 1.64 1.04 -1.26 -0.69 113.70 121.62 2x54 s SER 260 Ca -0.02 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 2x54 s SER 260 Cb -0.13 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.43 2x54 s SER 260 CO -0.03 0.29 0.33 -0.72 0.98 0.00 0.00 173.24 174.09 2x54 s TYR 261 N -1.14 -0.08 -0.08 5.02 -0.85 -0.75 -5.02 117.35 114.45 2x54 s TYR 261 Ca 0.21 -0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 2x54 s TYR 261 Cb -0.12 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 2x54 s TYR 261 CO 0.12 -0.65 0.09 -0.06 -1.52 0.00 0.00 175.55 173.52 2x54 s PHE 262 N -3.83 3.41 -0.14 -3.49 0.08 -1.26 -1.62 117.98 111.13 2x54 s PHE 262 Ca 0.04 0.36 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 2x54 s PHE 262 Cb 0.03 -1.85 -0.13 0.00 -0.57 0.00 0.00 43.02 40.50 2x54 s PHE 262 CO -0.11 0.62 0.25 0.82 -0.10 0.00 0.00 175.22 176.70 2x54 h ILE 263 N 3.83 0.74 0.00 0.64 2.04 -1.56 -3.42 117.51 119.78 2x54 h ILE 263 Ca -0.52 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 63.68 2x54 h ILE 263 Cb 1.21 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2x54 h ILE 263 CO 0.58 0.25 0.00 0.29 0.00 0.00 0.00 178.15 179.27