#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x54 s LEU 2 N 0.00 3.23 0.06 3.17 1.02 -1.20 -4.99 118.68 119.97 2x54 s LEU 2 Ca 0.00 -0.12 -0.23 0.00 0.02 0.00 0.00 54.13 53.81 2x54 s LEU 2 Cb 0.00 -1.85 -0.06 0.00 0.02 0.00 0.00 46.19 44.30 2x54 s LEU 2 CO 0.00 0.28 0.68 -1.61 0.02 0.00 0.00 176.35 175.72 2x54 s GLU 3 N -1.43 4.40 -0.03 1.70 0.41 -1.25 -0.45 118.70 122.05 2x54 s GLU 3 Ca 0.17 0.92 0.04 0.00 -0.41 0.00 0.00 54.97 55.70 2x54 s GLU 3 Cb -0.11 -3.31 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2x54 s GLU 3 CO 0.08 0.43 -0.15 0.00 -0.49 0.00 0.00 175.26 175.13 2x54 s ALA 4 N -0.50 1.28 -0.34 5.21 0.00 -0.58 -0.42 121.76 126.41 2x54 s ALA 4 Ca 0.34 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 2x54 s ALA 4 Cb -0.20 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.56 2x54 s ALA 4 CO 0.21 0.26 0.11 -0.80 0.00 0.00 0.00 175.76 175.54 2x54 s ASN 5 N -0.08 5.33 -0.30 0.00 0.01 0.01 -1.55 114.94 118.37 2x54 s ASN 5 Ca 0.00 -1.08 -0.14 0.00 -0.71 0.00 0.00 52.86 50.93 2x54 s ASN 5 Cb -0.09 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 2x54 s ASN 5 CO 0.01 -0.32 0.31 -0.69 -1.51 0.00 0.00 177.10 174.90 2x54 s VAL 6 N 1.43 5.22 0.21 1.60 1.01 -0.99 -1.44 120.40 127.44 2x54 s VAL 6 Ca -0.01 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.33 2x54 s VAL 6 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2x54 s VAL 6 CO 0.03 0.10 -0.13 -0.31 0.00 0.00 0.00 175.10 174.80 2x54 s TYR 7 N 1.94 2.52 0.63 5.22 2.02 -0.44 -0.90 117.35 128.34 2x54 s TYR 7 Ca 0.11 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 2x54 s TYR 7 Cb -0.16 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2x54 s TYR 7 CO 0.11 0.56 1.04 -0.51 -1.57 0.00 0.00 175.55 175.17 2x54 s ASP 8 N -3.03 5.88 -0.07 2.29 1.01 -1.26 -0.30 116.67 121.18 2x54 s ASP 8 Ca 0.26 1.58 -0.40 0.00 0.71 0.00 0.00 52.55 54.70 2x54 s ASP 8 Cb -0.08 -2.50 -0.20 0.00 1.01 0.00 0.00 42.92 41.16 2x54 s ASP 8 CO 0.15 -1.10 1.12 -3.20 0.21 0.00 0.00 175.17 172.34 2x54 n ASN 9 N -2.62 0.16 -3.89 0.27 2.85 -1.24 -4.46 115.26 106.33 2x54 n ASN 9 Ca 0.07 1.14 -0.42 0.00 -0.11 0.00 0.00 54.58 55.26 2x54 n ASN 9 Cb 0.54 -0.89 -0.01 0.00 1.24 0.00 0.00 39.78 40.65 2x54 n ASN 9 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2x54 n PHE 10 N 1.82 3.51 -1.83 1.20 3.72 -1.26 -4.94 117.46 119.67 2x54 n PHE 10 Ca 0.21 -2.77 -0.43 0.00 -0.05 0.00 0.00 57.45 54.42 2x54 n PHE 10 Cb 0.06 -2.47 -0.03 0.00 -0.94 0.00 0.00 39.48 36.10 2x54 n PHE 10 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2x54 s ASN 11 N 3.69 6.18 0.08 4.37 2.47 -1.26 -1.58 114.94 128.89 2x54 s ASN 11 Ca 0.50 2.08 0.22 0.00 0.42 0.00 0.00 52.86 56.07 2x54 s ASN 11 Cb 0.12 -2.53 0.88 0.00 -1.45 0.00 0.00 41.25 38.27 2x54 s ASN 11 CO -0.03 -1.35 1.67 -0.81 -3.72 0.00 0.00 177.10 172.87 2x54 n PRO 12 N 7.86 0.07 0.15 0.43 -0.05 -1.26 -1.69 135.00 140.51 2x54 n PRO 12 Ca 0.22 0.21 0.13 0.00 -0.05 0.00 0.00 63.50 64.01 2x54 n PRO 12 Cb 0.44 -1.61 0.50 0.00 -0.05 0.00 0.00 33.50 32.78 2x54 n PRO 12 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2x54 h ASN 13 N 0.00 0.00 0.00 3.54 2.35 -1.91 -2.86 115.58 116.70 2x54 h ASN 13 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2x54 h ASN 13 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2x54 h ASN 13 CO 0.00 0.00 -0.74 0.00 -1.65 0.00 0.00 177.43 175.04 2x54 n TYR 14 N -2.40 0.00 0.34 1.19 9.36 -0.99 -4.81 117.16 119.85 2x54 n TYR 14 Ca 0.02 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.39 2x54 n TYR 14 Cb 0.28 -0.24 0.54 0.00 -0.63 0.00 0.00 39.34 39.29 2x54 n TYR 14 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x54 h TYR 15 N -0.36 0.00 -1.14 2.98 -1.99 -1.46 -3.33 116.97 111.67 2x54 h TYR 15 Ca -0.08 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.05 2x54 h TYR 15 Cb 0.64 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.20 2x54 h TYR 15 CO -0.11 0.00 1.13 -1.71 -0.00 0.00 0.00 178.16 177.47 2x54 n ASN 16 N -2.74 7.07 -3.82 3.88 5.15 -1.08 -3.33 115.26 120.39 2x54 n ASN 16 Ca 0.02 -3.21 -0.23 0.00 -0.60 0.00 0.00 54.58 50.56 2x54 n ASN 16 Cb 0.32 -1.27 -0.17 0.00 -0.53 0.00 0.00 39.78 38.12 2x54 n ASN 16 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2x54 s ILE 17 N -1.97 0.54 -1.42 -1.44 1.01 -1.25 -4.99 121.20 111.67 2x54 s ILE 17 Ca 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 2x54 s ILE 17 Cb 0.31 -0.65 0.05 0.00 0.01 0.00 0.00 42.46 42.18 2x54 s ILE 17 CO -0.18 0.28 2.52 -1.20 0.00 0.00 0.00 174.94 176.37 2x54 n SER 18 N 4.98 7.89 -0.19 3.58 7.64 -1.26 -1.98 113.62 134.27 2x54 n SER 18 Ca -0.10 -2.95 0.03 0.00 1.01 0.00 0.00 58.87 56.87 2x54 n SER 18 Cb 0.50 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.26 2x54 n SER 18 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2x54 n ASP 19 N 2.66 1.17 -4.67 6.43 5.75 -1.15 -4.39 116.55 122.35 2x54 n ASP 19 Ca 0.66 -1.09 -0.42 0.00 -0.01 0.00 0.00 54.79 53.93 2x54 n ASP 19 Cb 0.26 0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 2x54 n ASP 19 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2x54 s PHE 20 N -0.91 2.47 -0.45 2.11 5.36 -0.67 -4.88 117.98 121.02 2x54 s PHE 20 Ca 0.06 0.58 -0.27 0.00 -0.96 0.00 0.00 56.93 56.34 2x54 s PHE 20 Cb 0.05 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.01 2x54 s PHE 20 CO 0.14 -2.93 1.03 0.45 -1.46 0.00 0.00 175.22 172.45 2x54 s SER 21 N 2.52 6.61 0.56 6.13 0.15 -1.26 -1.48 113.70 126.94 2x54 s SER 21 Ca 0.66 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 57.54 2x54 s SER 21 Cb -0.30 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 2x54 s SER 21 CO 0.25 -1.10 1.06 -0.04 1.20 0.00 0.00 173.24 174.61 2x54 s MET 22 N 4.02 3.41 0.55 5.44 1.00 -0.79 -4.97 119.30 127.97 2x54 s MET 22 Ca 0.43 1.30 0.24 0.00 0.00 0.00 0.00 55.69 57.65 2x54 s MET 22 Cb -0.09 -2.04 1.49 0.00 0.00 0.00 0.00 34.83 34.19 2x54 s MET 22 CO 0.27 -0.75 2.12 -1.35 0.00 0.00 0.00 175.02 175.32 2x54 h PRO 23 N 0.79 0.00 -0.03 2.03 0.11 -1.88 -1.70 132.00 131.31 2x54 h PRO 23 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2x54 h PRO 23 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2x54 h PRO 23 CO 0.58 0.00 -0.69 -2.95 -0.21 0.00 0.00 178.00 174.73 2x54 h ASN 24 N 0.00 0.19 0.00 -2.05 -1.07 -1.93 -3.48 115.58 107.24 2x54 h ASN 24 Ca 0.07 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.32 2x54 h ASN 24 Cb 0.34 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 2x54 h ASN 24 CO -0.00 0.82 0.00 0.61 0.07 0.00 0.00 177.43 178.93 2x54 n GLY 25 N 0.45 4.48 3.71 9.14 0.00 -0.64 -5.15 105.19 117.18 2x54 n GLY 25 Ca -0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2x54 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x54 s LYS 26 N 0.00 1.64 -0.15 1.61 0.00 -1.26 -4.48 119.74 117.10 2x54 s LYS 26 Ca 0.00 1.53 -0.13 0.00 0.00 0.00 0.00 55.97 57.37 2x54 s LYS 26 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 37.83 35.98 2x54 s LYS 26 CO 0.00 -2.17 0.28 0.15 0.00 0.00 0.00 175.35 173.61 2x54 s LYS 27 N -4.47 4.16 0.33 1.78 -0.14 -1.26 -1.88 119.74 118.26 2x54 s LYS 27 Ca 0.68 0.09 0.05 0.00 -1.36 0.00 0.00 55.97 55.42 2x54 s LYS 27 Cb -0.23 -3.39 -0.07 0.00 -1.68 0.00 0.00 37.83 32.46 2x54 s LYS 27 CO 0.53 0.32 0.02 -1.21 -0.76 0.00 0.00 175.35 174.26 2x54 s GLU 28 N 0.21 1.68 0.53 1.68 0.41 -0.55 -4.91 118.70 117.75 2x54 s GLU 28 Ca 0.16 -1.92 -0.21 0.00 -0.41 0.00 0.00 54.97 52.60 2x54 s GLU 28 Cb -0.13 -1.07 -0.06 0.00 -1.78 0.00 0.00 34.13 31.10 2x54 s GLU 28 CO 0.04 -0.11 1.23 0.15 -0.49 0.00 0.00 175.26 176.08 2x54 s LYS 29 N -3.82 3.35 0.07 1.61 1.02 -1.26 -1.66 119.74 119.04 2x54 s LYS 29 Ca 0.35 1.90 -0.33 0.00 0.02 0.00 0.00 55.97 57.91 2x54 s LYS 29 Cb 0.08 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 2x54 s LYS 29 CO 0.15 -0.92 1.78 0.54 -0.92 0.00 0.00 175.35 175.97 2x54 n ARG 30 N -1.00 2.42 -1.54 1.68 1.74 -0.84 -4.75 116.66 114.38 2x54 n ARG 30 Ca 0.10 0.88 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 2x54 n ARG 30 Cb 0.48 -2.72 0.06 0.00 -1.02 0.00 0.00 32.46 29.25 2x54 n ARG 30 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2x54 s GLY 31 N 2.65 1.75 0.54 -0.13 0.00 -1.26 -4.87 107.32 105.99 2x54 s GLY 31 Ca 0.84 0.20 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 2x54 s GLY 31 CO 0.42 0.52 1.32 1.08 0.00 0.00 0.00 173.10 176.44 2x54 s LEU 32 N -5.50 3.87 1.04 0.66 1.43 -0.35 -4.91 118.68 114.92 2x54 s LEU 32 Ca 0.60 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 56.20 2x54 s LEU 32 Cb -0.15 -4.28 0.24 0.00 0.03 0.00 0.00 46.19 42.02 2x54 s LEU 32 CO 0.52 -1.48 1.28 -2.16 0.23 0.00 0.00 176.35 174.75 2x54 s PRO 33 N -2.90 -0.00 0.33 1.29 0.04 -1.26 -4.57 135.00 127.93 2x54 s PRO 33 Ca 0.71 -0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 2x54 s PRO 33 Cb -0.38 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2x54 s PRO 33 CO 0.45 -2.85 0.77 0.96 0.04 0.00 0.00 177.00 176.37 2x54 s ILE 34 N -3.69 4.62 0.21 0.56 -5.25 -1.26 -5.01 121.20 111.38 2x54 s ILE 34 Ca 0.74 1.08 -0.32 0.00 -0.99 0.00 0.00 60.65 61.17 2x54 s ILE 34 Cb -0.04 -3.64 -0.12 0.00 2.95 0.00 0.00 42.46 41.61 2x54 s ILE 34 CO 0.54 -0.15 1.68 -2.84 -1.79 0.00 0.00 174.94 172.37 2x54 s PRO 35 N -2.88 4.14 0.56 0.37 0.02 -1.26 -4.87 135.00 131.08 2x54 s PRO 35 Ca 0.54 2.56 0.29 0.00 0.02 0.00 0.00 61.00 64.41 2x54 s PRO 35 Cb -0.11 -3.08 1.63 0.00 0.02 0.00 0.00 34.50 32.96 2x54 s PRO 35 CO 0.17 -0.71 2.16 1.57 -0.33 0.00 0.00 177.00 179.87 2x54 h LYS 36 N 6.51 0.00 -2.21 5.54 2.10 -1.40 -3.43 116.57 123.68 2x54 h LYS 36 Ca -0.43 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.17 2x54 h LYS 36 Cb 1.20 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.31 2x54 h LYS 36 CO 0.93 0.06 -0.02 0.00 -2.00 0.00 0.00 179.45 178.42 2x54 s ALA 37 N -4.40 -1.58 -0.27 0.07 0.00 -1.22 -5.08 121.76 109.27 2x54 s ALA 37 Ca -0.04 1.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 2x54 s ALA 37 Cb 0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2x54 s ALA 37 CO 0.57 -0.32 0.29 0.50 0.00 0.00 0.00 175.76 176.80 2x54 s ARG 38 N 0.84 4.00 0.09 0.00 6.06 -1.26 -2.34 118.95 126.33 2x54 s ARG 38 Ca -0.04 -0.12 0.01 0.00 -2.50 0.00 0.00 55.73 53.08 2x54 s ARG 38 Cb -0.05 -3.65 -0.00 0.00 0.06 0.00 0.00 34.95 31.31 2x54 s ARG 38 CO -0.07 -0.21 0.03 0.00 -2.50 0.00 0.00 175.30 172.55 2x54 s GLN 40 N -2.34 1.01 -0.20 0.00 0.00 -1.26 -1.53 119.66 115.33 2x54 s GLN 40 Ca 0.04 -0.21 -0.21 0.00 -0.00 0.00 0.00 55.36 54.98 2x54 s GLN 40 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 33.01 32.05 2x54 s GLN 40 CO 0.03 -0.01 0.65 0.54 0.00 0.00 0.00 175.29 176.49 2x54 s VAL 41 N 0.66 5.00 0.15 3.63 0.11 0.40 -3.20 120.40 127.16 2x54 s VAL 41 Ca -0.10 1.21 0.09 0.00 -2.93 0.00 0.00 61.98 60.25 2x54 s VAL 41 Cb -0.13 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2x54 s VAL 41 CO 0.01 0.09 -0.19 0.27 -3.33 0.00 0.00 175.10 171.95 2x54 s ILE 42 N 2.01 1.85 -0.87 7.04 -5.25 -0.92 -3.22 121.20 121.84 2x54 s ILE 42 Ca 0.29 -1.85 -0.05 0.00 -0.99 0.00 0.00 60.65 58.05 2x54 s ILE 42 Cb -0.16 -1.81 -0.00 0.00 2.95 0.00 0.00 42.46 43.44 2x54 s ILE 42 CO 0.10 -0.24 0.68 -3.20 -1.79 0.00 0.00 174.94 170.50 2x54 n ASN 43 N 0.47 -6.00 -4.48 4.36 2.85 -1.26 -1.97 115.26 109.23 2x54 n ASN 43 Ca -0.15 -0.67 -0.25 0.00 -0.11 0.00 0.00 54.58 53.41 2x54 n ASN 43 Cb 0.56 -3.35 -0.10 0.00 1.24 0.00 0.00 39.78 38.13 2x54 n ASN 43 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2x54 s TYR 44 N -3.11 2.34 -0.31 1.20 -0.85 -1.26 -3.45 117.35 111.91 2x54 s TYR 44 Ca 0.12 -0.32 -0.03 0.00 -0.52 0.00 0.00 57.07 56.31 2x54 s TYR 44 Cb -0.04 -1.06 0.11 0.00 0.38 0.00 0.00 41.96 41.35 2x54 s TYR 44 CO 0.84 0.64 0.15 -2.00 -1.52 0.00 0.00 175.55 173.66 2x54 s GLU 45 N -3.26 0.32 -0.24 -3.49 2.12 -0.19 -4.10 118.70 109.86 2x54 s GLU 45 Ca 0.27 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 2x54 s GLU 45 Cb -0.06 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.08 2x54 s GLU 45 CO 0.14 -1.07 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.25 2x54 s LEU 46 N 1.79 3.10 -0.09 2.70 1.43 -0.79 -1.61 118.68 125.21 2x54 s LEU 46 Ca 0.12 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 2x54 s LEU 46 Cb -0.18 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2x54 s LEU 46 CO -0.26 -0.07 0.43 0.26 0.23 0.00 0.00 176.35 176.94 2x54 s TRP 47 N 1.45 3.56 0.10 0.29 0.52 -1.26 -0.74 118.94 122.86 2x54 s TRP 47 Ca 0.04 0.87 -0.19 0.00 0.02 0.00 0.00 56.10 56.84 2x54 s TRP 47 Cb -0.15 -2.45 -0.07 0.00 -1.15 0.00 0.00 33.47 29.65 2x54 s TRP 47 CO -0.03 0.31 1.61 1.49 0.02 0.00 0.00 176.95 180.35 2x54 h GLU 48 N 6.17 0.38 0.00 4.98 4.81 -1.64 -3.39 114.58 125.89 2x54 h GLU 48 Ca -0.44 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2x54 h GLU 48 Cb 1.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2x54 h GLU 48 CO 0.72 0.45 -1.17 0.25 -0.73 0.00 0.00 179.01 178.54 2x54 n THR 49 N -4.75 0.16 -2.51 0.32 -2.24 -1.26 -4.81 114.28 99.18 2x54 n THR 49 Ca -0.03 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 2x54 n THR 49 Cb 0.15 -0.87 0.01 0.00 -2.10 0.00 0.00 70.33 67.53 2x54 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x54 n GLY 50 N 2.83 0.59 0.21 3.38 0.00 -1.26 -4.85 105.19 106.08 2x54 n GLY 50 Ca -0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 2x54 n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x54 h TYR 51 N -0.37 0.57 0.00 1.61 3.20 -1.97 -3.42 116.97 116.59 2x54 h TYR 51 Ca -0.09 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2x54 h TYR 51 Cb 1.05 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2x54 h TYR 51 CO 0.07 0.86 -0.80 -0.11 -1.64 0.00 0.00 178.16 176.54 2x54 n LEU 52 N -3.98 0.04 -4.65 2.82 7.94 -1.26 -5.11 117.00 112.80 2x54 n LEU 52 Ca -0.02 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.62 2x54 n LEU 52 Cb 0.56 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 2x54 n LEU 52 CO 0.45 -0.09 -0.34 -0.31 -1.11 0.00 0.00 177.39 176.00 2x54 s TYR 53 N -2.00 2.78 -0.04 1.96 2.02 -1.26 -5.13 117.35 115.67 2x54 s TYR 53 Ca 0.00 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 2x54 s TYR 53 Cb 0.00 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 2x54 s TYR 53 CO 0.00 0.55 0.30 0.95 -1.57 0.00 0.00 175.55 175.78 2x54 s THR 54 N -1.92 5.22 0.70 -0.71 -4.23 -1.26 -4.62 115.64 108.82 2x54 s THR 54 Ca 0.28 0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 2x54 s THR 54 Cb -0.08 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2x54 s THR 54 CO 0.19 0.59 1.07 -0.44 -0.54 0.00 0.00 174.62 175.49 2x54 s SER 55 N -1.08 5.13 -0.10 3.99 0.01 -0.20 -4.90 113.70 116.56 2x54 s SER 55 Ca 0.21 1.75 -0.10 0.00 1.31 0.00 0.00 55.95 59.12 2x54 s SER 55 Cb -0.15 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2x54 s SER 55 CO 0.10 -1.61 0.27 -0.94 0.41 0.00 0.00 173.24 171.47 2x54 s SER 56 N -3.39 -0.28 -0.20 2.44 1.04 -0.63 -0.06 113.70 112.61 2x54 s SER 56 Ca 0.61 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 57.29 2x54 s SER 56 Cb -0.16 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.57 2x54 s SER 56 CO 0.51 -0.12 0.71 0.00 0.98 0.00 0.00 173.24 175.32 2x54 s ALA 57 N 0.05 -1.78 -0.36 5.32 0.00 -0.54 -1.02 121.76 123.43 2x54 s ALA 57 Ca -0.01 1.82 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 2x54 s ALA 57 Cb -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2x54 s ALA 57 CO 0.01 -0.35 0.36 0.99 0.00 0.00 0.00 175.76 176.76 2x54 s THR 58 N -0.09 5.18 -0.02 0.00 2.01 -0.83 -0.16 115.64 121.73 2x54 s THR 58 Ca -0.03 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2x54 s THR 58 Cb -0.04 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2x54 s THR 58 CO 0.04 -0.17 0.15 -0.76 -0.69 0.00 0.00 174.62 173.18 2x54 s LEU 59 N 1.97 4.22 0.15 4.42 1.43 -1.22 -2.16 118.68 127.50 2x54 s LEU 59 Ca 0.10 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 2x54 s LEU 59 Cb -0.17 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2x54 s LEU 59 CO 0.12 0.28 1.73 0.71 0.23 0.00 0.00 176.35 179.41 2x54 h THR 60 N 3.05 1.19 -3.88 5.49 1.35 -1.92 -3.43 112.91 114.77 2x54 h THR 60 Ca -0.50 -0.57 -0.47 0.00 -0.55 0.00 0.00 66.41 64.33 2x54 h THR 60 Cb 1.19 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 2x54 h THR 60 CO 0.66 0.22 0.21 0.54 -0.25 0.00 0.00 175.52 176.90 2x54 s VAL 61 N -5.67 4.55 -1.30 6.82 0.11 -1.26 -4.98 120.40 118.67 2x54 s VAL 61 Ca -0.13 1.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.92 2x54 s VAL 61 Cb 0.11 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.42 2x54 s VAL 61 CO 0.76 -0.26 1.75 -1.54 -3.33 0.00 0.00 175.10 172.49 2x54 n SER 62 N -0.52 4.90 -4.76 3.54 3.41 -1.26 -4.99 113.62 113.94 2x54 n SER 62 Ca 0.05 -2.92 -0.33 0.00 -0.26 0.00 0.00 58.87 55.41 2x54 n SER 62 Cb 0.54 -1.75 0.05 0.00 -0.26 0.00 0.00 64.21 62.79 2x54 n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2x54 s VAL 63 N 4.28 3.01 0.24 -3.33 -7.23 -1.26 -5.08 120.40 111.03 2x54 s VAL 63 Ca 0.54 0.49 0.08 0.00 -1.81 0.00 0.00 61.98 61.28 2x54 s VAL 63 Cb 0.04 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 2x54 s VAL 63 CO 0.08 -0.27 -0.13 -1.83 -0.31 0.00 0.00 175.10 172.64 2x54 s GLU 64 N -3.98 1.46 0.11 4.82 -1.05 -1.26 -4.95 118.70 113.85 2x54 s GLU 64 Ca 0.69 -1.68 -0.34 0.00 -0.15 0.00 0.00 54.97 53.50 2x54 s GLU 64 Cb -0.23 -1.25 -0.13 0.00 -0.44 0.00 0.00 34.13 32.08 2x54 s GLU 64 CO 0.41 0.17 1.66 0.28 0.95 0.00 0.00 175.26 178.73 2x54 n VAL 65 N -0.48 0.14 0.00 1.83 0.31 -1.26 -2.53 118.33 116.33 2x54 n VAL 65 Ca -0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2x54 n VAL 65 Cb 0.61 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2x54 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x54 n GLY 66 N 3.69 2.08 3.71 2.92 0.00 -0.76 -5.02 105.19 111.81 2x54 n GLY 66 Ca 0.18 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2x54 n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x54 n ASP 67 N 0.14 2.34 -4.69 1.61 8.00 -1.05 -3.63 116.55 119.27 2x54 n ASP 67 Ca 0.00 0.99 -0.36 0.00 0.71 0.00 0.00 54.79 56.13 2x54 n ASP 67 Cb 0.00 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 39.49 2x54 n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2x54 s ILE 68 N -1.30 5.38 -0.25 0.53 -1.09 0.58 -1.18 121.20 123.87 2x54 s ILE 68 Ca 0.69 0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2x54 s ILE 68 Cb -0.44 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2x54 s ILE 68 CO 0.52 0.39 0.02 -0.69 -1.23 0.00 0.00 174.94 173.94 2x54 s VAL 69 N 0.72 3.75 -0.42 2.92 1.01 0.12 -1.33 120.40 127.18 2x54 s VAL 69 Ca 0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2x54 s VAL 69 Cb -0.12 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.52 2x54 s VAL 69 CO 0.02 0.29 0.28 -1.58 0.00 0.00 0.00 175.10 174.10 2x54 s GLN 70 N 1.51 2.73 -0.19 2.72 0.74 -0.52 -1.24 119.66 125.40 2x54 s GLN 70 Ca 0.05 -1.37 -0.21 0.00 0.05 0.00 0.00 55.36 53.88 2x54 s GLN 70 Cb -0.15 -3.85 -0.02 0.00 1.10 0.00 0.00 33.01 30.08 2x54 s GLN 70 CO 0.00 -0.92 0.66 0.42 -0.55 0.00 0.00 175.29 174.89 2x54 s ILE 71 N 1.50 5.00 -0.08 -2.34 1.01 0.21 -0.81 121.20 125.68 2x54 s ILE 71 Ca 0.03 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.85 2x54 s ILE 71 Cb -0.23 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2x54 s ILE 71 CO 0.04 0.10 0.18 -0.76 0.00 0.00 0.00 174.94 174.50 2x54 s LEU 72 N 1.95 4.39 -0.04 2.97 1.43 0.44 -1.89 118.68 127.93 2x54 s LEU 72 Ca 0.30 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2x54 s LEU 72 Cb -0.16 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2x54 s LEU 72 CO 0.11 0.37 -0.13 -0.36 0.23 0.00 0.00 176.35 176.56 2x54 s PHE 73 N -1.10 1.41 0.00 0.29 0.08 -1.19 -3.89 117.98 113.59 2x54 s PHE 73 Ca 0.18 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 2x54 s PHE 73 Cb -0.13 -0.99 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 2x54 s PHE 73 CO 0.08 -0.17 2.08 -0.35 -0.10 0.00 0.00 175.22 176.75 2x54 n PRO 74 N 3.35 1.07 -4.15 0.24 -0.04 -1.26 -4.47 135.00 129.74 2x54 n PRO 74 Ca -0.19 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.95 2x54 n PRO 74 Cb 0.53 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 2x54 n PRO 74 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2x54 s GLU 75 N 0.55 0.79 -0.04 0.54 -1.05 -1.26 -5.09 118.70 113.13 2x54 s GLU 75 Ca 0.14 -1.29 0.06 0.00 -0.15 0.00 0.00 54.97 53.74 2x54 s GLU 75 Cb 0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 2x54 s GLU 75 CO 0.00 -0.02 -0.22 0.14 0.95 0.00 0.00 175.26 176.10 2x54 s VAL 76 N -3.53 2.35 -0.25 1.83 -7.23 -1.26 -1.49 120.40 110.82 2x54 s VAL 76 Ca 0.10 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.22 2x54 s VAL 76 Cb 0.05 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2x54 s VAL 76 CO -0.05 0.58 0.06 -0.69 -0.31 0.00 0.00 175.10 174.69 2x54 s VAL 77 N -0.48 4.26 -0.33 1.32 1.01 0.23 -4.88 120.40 121.52 2x54 s VAL 77 Ca 0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2x54 s VAL 77 Cb -0.11 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2x54 s VAL 77 CO 0.01 0.34 0.68 -2.16 0.00 0.00 0.00 175.10 173.97 2x54 s PRO 78 N 1.61 3.80 -0.15 2.72 0.04 -1.26 -2.27 135.00 139.49 2x54 s PRO 78 Ca 0.06 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 2x54 s PRO 78 Cb -0.15 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 2x54 s PRO 78 CO 0.03 -0.69 -0.03 0.96 0.04 0.00 0.00 177.00 177.31 2x54 s ILE 79 N 2.78 3.98 -0.61 0.56 -5.25 -1.19 -3.96 121.20 117.51 2x54 s ILE 79 Ca 0.27 -0.33 -0.22 0.00 -0.99 0.00 0.00 60.65 59.37 2x54 s ILE 79 Cb -0.14 -2.74 0.06 0.00 2.95 0.00 0.00 42.46 42.59 2x54 s ILE 79 CO 0.14 0.51 0.91 -0.70 -1.79 0.00 0.00 174.94 174.01 2x54 s GLU 80 N 0.20 3.17 0.09 0.37 2.12 -0.54 -2.21 118.70 121.90 2x54 s GLU 80 Ca -0.01 -0.71 0.14 0.00 0.36 0.00 0.00 54.97 54.75 2x54 s GLU 80 Cb -0.14 -4.17 -0.13 0.00 0.26 0.00 0.00 34.13 29.96 2x54 s GLU 80 CO 0.03 -1.66 0.97 1.05 -0.54 0.00 0.00 175.26 175.11 2x54 h GLU 81 N 9.43 0.00 -4.82 4.30 4.11 -1.77 -3.39 114.58 122.43 2x54 h GLU 81 Ca -0.28 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.89 2x54 h GLU 81 Cb 1.07 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2x54 h GLU 81 CO 1.13 0.47 -0.70 0.00 0.07 0.00 0.00 179.01 179.97 2x54 s ALA 82 N -2.83 1.16 0.31 1.06 0.00 -1.12 -4.85 121.76 115.48 2x54 s ALA 82 Ca -0.01 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2x54 s ALA 82 Cb 0.08 0.11 0.75 0.00 0.00 0.00 0.00 23.12 24.06 2x54 s ALA 82 CO 0.80 -0.18 1.57 1.25 0.00 0.00 0.00 175.76 179.21 2x54 h LEU 83 N 2.92 -0.49 0.00 0.00 7.12 -2.00 -2.21 115.31 120.65 2x54 h LEU 83 Ca -0.36 0.28 -0.08 0.00 0.13 0.00 0.00 57.88 57.85 2x54 h LEU 83 Cb 1.18 0.49 -0.02 0.00 -0.53 0.00 0.00 40.66 41.78 2x54 h LEU 83 CO 0.64 -0.35 -1.60 0.61 -0.13 0.00 0.00 178.44 177.61 2x54 n GLY 84 N -1.50 -0.51 3.71 3.75 0.00 -1.26 -4.86 105.19 104.52 2x54 n GLY 84 Ca 0.23 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2x54 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x54 s LYS 85 N -2.55 4.50 0.04 1.61 2.20 -0.83 -5.05 119.74 119.66 2x54 s LYS 85 Ca -0.05 1.55 0.07 0.00 -0.36 0.00 0.00 55.97 57.19 2x54 s LYS 85 Cb 0.05 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2x54 s LYS 85 CO 0.45 -0.15 -0.21 0.15 -0.36 0.00 0.00 175.35 175.23 2x54 s LYS 86 N 1.11 1.42 -0.02 4.03 1.02 -1.26 -2.30 119.74 123.75 2x54 s LYS 86 Ca 0.54 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.63 2x54 s LYS 86 Cb -0.24 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 2x54 s LYS 86 CO 0.28 0.39 -0.15 -1.59 -0.92 0.00 0.00 175.35 173.36 2x54 s LYS 87 N -1.17 1.29 -0.80 1.68 -2.85 -0.94 -4.98 119.74 111.96 2x54 s LYS 87 Ca 0.08 -0.54 -0.25 0.00 -1.00 0.00 0.00 55.97 54.25 2x54 s LYS 87 Cb -0.09 -1.23 -0.02 0.00 -2.06 0.00 0.00 37.83 34.44 2x54 s LYS 87 CO 0.02 0.31 1.79 0.15 0.10 0.00 0.00 175.35 177.72 2x54 s LYS 88 N -0.30 2.78 -0.25 1.78 -0.14 -1.26 -3.18 119.74 119.17 2x54 s LYS 88 Ca 0.05 -0.08 -0.10 0.00 -1.36 0.00 0.00 55.97 54.48 2x54 s LYS 88 Cb -0.07 -4.77 -0.05 0.00 -1.68 0.00 0.00 37.83 31.26 2x54 s LYS 88 CO -0.00 -2.88 0.15 -1.17 -0.76 0.00 0.00 175.35 170.68 2x54 s LEU 89 N 8.64 3.94 0.26 3.17 1.98 -0.96 -5.00 118.68 130.72 2x54 s LEU 89 Ca 0.62 0.01 -0.29 0.00 -2.89 0.00 0.00 54.13 51.58 2x54 s LEU 89 Cb -0.08 -2.07 -0.09 0.00 0.66 0.00 0.00 46.19 44.61 2x54 s LEU 89 CO 0.07 0.01 1.15 0.20 -1.89 0.00 0.00 176.35 175.89 2x54 s ASN 90 N 1.36 7.16 0.00 3.68 0.01 -1.26 0.75 114.94 126.64 2x54 s ASN 90 Ca 0.07 2.31 -0.30 0.00 -0.71 0.00 0.00 52.86 54.23 2x54 s ASN 90 Cb -0.15 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.82 2x54 s ASN 90 CO 0.06 -0.24 1.63 -0.22 -1.51 0.00 0.00 177.10 176.82 2x54 s LEU 91 N -1.21 4.34 0.03 0.60 2.96 -0.56 -4.77 118.68 120.08 2x54 s LEU 91 Ca 0.47 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 2x54 s LEU 91 Cb -0.33 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.79 2x54 s LEU 91 CO 0.42 -0.89 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.69 2x54 s ASP 92 N 2.83 0.56 -0.33 3.68 -0.00 -1.26 -3.20 116.67 118.95 2x54 s ASP 92 Ca 0.73 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.82 2x54 s ASP 92 Cb -0.36 0.05 0.10 0.00 -0.00 0.00 0.00 42.92 42.71 2x54 s ASP 92 CO 0.31 -0.20 0.10 -0.04 -0.00 0.00 0.00 175.17 175.33 2x54 s MET 93 N -1.31 0.89 -0.25 8.23 -1.94 -0.79 -4.87 119.30 119.25 2x54 s MET 93 Ca -0.11 -1.29 -0.10 0.00 -1.71 0.00 0.00 55.69 52.48 2x54 s MET 93 Cb -0.09 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.48 2x54 s MET 93 CO -0.00 -0.99 0.15 0.08 -0.01 0.00 0.00 175.02 174.25 2x54 s VAL 94 N 1.39 5.18 0.16 -6.03 1.01 -1.26 -0.62 120.40 120.22 2x54 s VAL 94 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2x54 s VAL 94 Cb -0.18 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2x54 s VAL 94 CO -0.20 0.32 -0.06 -0.31 0.00 0.00 0.00 175.10 174.85 2x54 s TYR 95 N 1.29 1.24 -0.12 5.22 2.02 -0.37 -2.47 117.35 124.15 2x54 s TYR 95 Ca 0.07 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 55.88 2x54 s TYR 95 Cb -0.14 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2x54 s TYR 95 CO 0.06 -0.04 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.81 2x54 s LEU 96 N -3.17 3.35 -0.23 -1.29 2.96 0.27 -0.70 118.68 119.87 2x54 s LEU 96 Ca 0.19 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 2x54 s LEU 96 Cb 0.04 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 2x54 s LEU 96 CO 0.02 0.27 1.20 -0.69 -1.32 0.00 0.00 176.35 175.83 2x54 s VAL 97 N -0.26 4.35 -0.16 1.68 1.01 -0.33 -1.55 120.40 125.14 2x54 s VAL 97 Ca 0.05 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.67 2x54 s VAL 97 Cb -0.13 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 2x54 s VAL 97 CO 0.02 -0.28 0.18 0.35 0.00 0.00 0.00 175.10 175.38 2x54 n THR 98 N 5.64 1.59 -3.64 3.92 -2.24 -0.30 -1.83 114.28 117.43 2x54 n THR 98 Ca 0.13 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2x54 n THR 98 Cb 0.46 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 2x54 n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x54 s ASP 99 N -6.45 -0.63 -0.10 3.42 3.68 -1.23 -4.89 116.67 110.47 2x54 s ASP 99 Ca -0.21 1.17 0.03 0.00 2.13 0.00 0.00 52.55 55.67 2x54 s ASP 99 Cb 0.07 1.20 -0.00 0.00 -1.45 0.00 0.00 42.92 42.74 2x54 s ASP 99 CO 0.74 -0.20 -0.22 -0.69 0.13 0.00 0.00 175.17 174.93 2x54 s VAL 100 N 0.49 2.29 0.03 1.11 1.01 -1.26 0.01 120.40 124.08 2x54 s VAL 100 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2x54 s VAL 100 Cb -0.05 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2x54 s VAL 100 CO -0.05 0.55 0.04 -0.90 0.00 0.00 0.00 175.10 174.74 2x54 n ASP 101 N 3.46 0.04 -0.30 3.32 3.85 -1.10 -4.96 116.55 120.87 2x54 n ASP 101 Ca -0.19 -1.04 -0.05 0.00 -0.71 0.00 0.00 54.79 52.80 2x54 n ASP 101 Cb 0.53 -0.03 0.07 0.00 -1.35 0.00 0.00 41.12 40.34 2x54 n ASP 101 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2x54 h GLU 102 N 0.00 1.18 -0.75 0.11 3.07 -2.01 -2.87 114.58 113.30 2x54 h GLU 102 Ca -0.01 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2x54 h GLU 102 Cb 0.05 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2x54 h GLU 102 CO 0.01 0.90 0.00 -1.13 -1.40 0.00 0.00 179.01 177.39 2x54 n SER 103 N -4.35 1.64 -1.95 1.42 3.41 -1.26 -4.90 113.62 107.63 2x54 n SER 103 Ca 0.08 -2.14 -0.18 0.00 -0.26 0.00 0.00 58.87 56.37 2x54 n SER 103 Cb 0.13 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 2x54 n SER 103 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x54 n ASN 104 N 0.07 -4.99 -4.57 4.04 5.15 -1.08 -4.93 115.26 108.93 2x54 n ASN 104 Ca 0.05 0.26 -0.43 0.00 -0.60 0.00 0.00 54.58 53.86 2x54 n ASN 104 Cb 0.36 -4.33 -0.04 0.00 -0.53 0.00 0.00 39.78 35.24 2x54 n ASN 104 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2x54 s LYS 105 N -4.25 3.59 -0.07 1.20 2.20 -1.26 -3.37 119.74 117.79 2x54 s LYS 105 Ca 0.00 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 55.70 2x54 s LYS 105 Cb 0.00 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 2x54 s LYS 105 CO 0.00 -1.23 0.51 0.00 -0.36 0.00 0.00 175.35 174.27 2x54 s ALA 106 N 3.85 3.51 -0.40 3.13 0.00 0.77 -2.69 121.76 129.93 2x54 s ALA 106 Ca 0.39 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 2x54 s ALA 106 Cb -0.10 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.39 2x54 s ALA 106 CO 0.27 0.12 0.77 0.99 0.00 0.00 0.00 175.76 177.91 2x54 s THR 107 N 0.14 4.71 -0.21 0.00 2.01 0.10 -1.47 115.64 120.93 2x54 s THR 107 Ca 0.27 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.86 2x54 s THR 107 Cb -0.16 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2x54 s THR 107 CO 0.13 -0.54 0.12 -0.76 -0.69 0.00 0.00 174.62 172.88 2x54 s LEU 108 N 3.15 4.04 -0.16 4.42 1.43 0.91 -1.15 118.68 131.33 2x54 s LEU 108 Ca 0.30 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2x54 s LEU 108 Cb -0.13 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2x54 s LEU 108 CO 0.19 0.13 -0.06 -0.75 0.23 0.00 0.00 176.35 176.09 2x54 s LYS 109 N 0.66 3.58 0.00 1.70 2.20 -0.60 -1.03 119.74 126.26 2x54 s LYS 109 Ca 0.06 -0.57 -0.35 0.00 -0.36 0.00 0.00 55.97 54.76 2x54 s LYS 109 Cb -0.12 -2.86 -0.14 0.00 -1.51 0.00 0.00 37.83 33.20 2x54 s LYS 109 CO 0.01 0.19 1.69 0.09 -0.36 0.00 0.00 175.35 176.98 2x54 n ASN 110 N 3.66 2.99 -0.34 1.43 4.13 -1.26 -0.56 115.26 125.30 2x54 n ASN 110 Ca -0.18 1.04 0.17 0.00 1.68 0.00 0.00 54.58 57.30 2x54 n ASN 110 Cb 0.52 -1.34 0.33 0.00 -1.54 0.00 0.00 39.78 37.75 2x54 n ASN 110 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x54 n TYR 111 N 4.85 0.71 0.19 3.10 9.36 -1.03 -2.42 117.16 131.92 2x54 n TYR 111 Ca 0.20 1.20 -0.15 0.00 3.32 0.00 0.00 57.90 62.48 2x54 n TYR 111 Cb 0.26 -1.29 -0.08 0.00 -0.63 0.00 0.00 39.34 37.60 2x54 n TYR 111 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 2x54 h PHE 112 N 0.00 -0.40 0.00 2.98 3.57 -1.90 -1.73 116.94 119.46 2x54 h PHE 112 Ca 0.64 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.10 2x54 h PHE 112 Cb 1.38 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2x54 h PHE 112 CO -0.44 -0.22 -0.15 -1.49 -2.23 0.00 0.00 178.31 173.78 2x54 h TRP 113 N -0.48 0.00 0.00 0.41 4.06 -1.82 -1.70 115.95 116.42 2x54 h TRP 113 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2x54 h TRP 113 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2x54 h TRP 113 CO -0.04 0.15 -0.31 0.00 -3.56 0.00 0.00 178.44 174.68 2x54 h ALA 114 N 1.85 0.81 0.08 1.49 0.00 -1.38 -3.31 119.26 118.80 2x54 h ALA 114 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2x54 h ALA 114 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x54 h ALA 114 CO 0.02 0.00 -1.43 1.98 0.00 0.00 0.00 179.25 179.82 2x54 h MET 115 N 0.00 0.18 -0.76 0.00 -1.53 -0.46 -3.36 114.93 109.00 2x54 h MET 115 Ca 0.00 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2x54 h MET 115 Cb 0.80 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 2x54 h MET 115 CO 0.00 1.14 0.00 0.44 0.14 0.00 0.00 176.91 178.63 2x54 n ILE 116 N -4.00 0.28 -2.20 1.77 -5.35 -0.75 -3.44 119.36 105.67 2x54 n ILE 116 Ca -0.28 -0.15 -0.40 0.00 -0.27 0.00 0.00 62.75 61.65 2x54 n ILE 116 Cb 0.86 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 2x54 n ILE 116 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x54 s GLU 117 N -1.36 4.38 0.00 6.28 2.02 -1.24 -3.57 118.70 125.21 2x54 s GLU 117 Ca 0.06 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.15 2x54 s GLU 117 Cb 0.04 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2x54 s GLU 117 CO 0.02 -0.12 0.00 0.43 0.02 0.00 0.00 175.26 175.61 2x54 n SER 118 N 0.81 -1.32 -4.70 -0.19 7.64 -1.26 -4.76 113.62 109.84 2x54 n SER 118 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2x54 n SER 118 Cb 0.43 -2.27 -0.03 0.00 -1.01 0.00 0.00 64.21 61.33 2x54 n SER 118 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2x54 s LEU 119 N 0.00 4.30 0.03 -3.43 2.96 -1.23 -4.99 118.68 116.31 2x54 s LEU 119 Ca 0.00 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.43 2x54 s LEU 119 Cb 0.00 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 2x54 s LEU 119 CO 0.00 -0.31 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.86 2x54 s ASP 120 N 1.02 4.73 -0.10 3.68 1.01 -1.26 -0.06 116.67 125.69 2x54 s ASP 120 Ca 0.47 -0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 2x54 s ASP 120 Cb -0.19 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.66 2x54 s ASP 120 CO 0.21 0.25 -0.07 0.54 0.21 0.00 0.00 175.17 176.31 2x54 s VAL 121 N -1.09 0.95 0.85 -1.27 0.11 0.84 -4.85 120.40 115.94 2x54 s VAL 121 Ca 0.19 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 2x54 s VAL 121 Cb -0.11 -0.97 0.10 0.00 -1.53 0.00 0.00 36.38 33.87 2x54 s VAL 121 CO 0.11 0.35 1.12 -2.16 -3.33 0.00 0.00 175.10 171.18 2x54 s PRO 122 N 1.58 1.63 0.54 1.54 0.04 -1.26 -1.99 135.00 137.08 2x54 s PRO 122 Ca 0.02 0.45 0.23 0.00 0.04 0.00 0.00 61.00 61.74 2x54 s PRO 122 Cb -0.13 -1.88 1.48 0.00 0.04 0.00 0.00 34.50 34.01 2x54 s PRO 122 CO -0.06 -1.89 2.16 -0.97 0.04 0.00 0.00 177.00 176.27 2x54 h ASN 123 N -1.28 0.00 -0.87 6.66 -1.24 -1.81 -2.98 115.58 114.06 2x54 h ASN 123 Ca -0.49 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.62 2x54 h ASN 123 Cb 1.30 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.29 2x54 h ASN 123 CO 0.61 0.05 0.57 0.00 -1.29 0.00 0.00 177.43 177.36 2x54 h ALA 124 N 1.95 1.65 0.04 1.57 0.00 -1.93 -2.10 119.26 120.45 2x54 h ALA 124 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2x54 h ALA 124 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2x54 h ALA 124 CO 0.01 0.17 -1.01 0.82 0.00 0.00 0.00 179.25 179.24 2x54 h ILE 125 N 0.86 1.49 0.00 0.00 2.04 -1.91 -3.24 117.51 116.75 2x54 h ILE 125 Ca 0.40 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2x54 h ILE 125 Cb 0.40 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2x54 h ILE 125 CO -0.17 0.81 0.00 0.35 0.00 0.00 0.00 178.15 179.14 2x54 n THR 126 N -3.63 0.82 0.08 -0.27 -2.24 -0.81 -3.36 114.28 104.87 2x54 n THR 126 Ca -0.06 0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.89 2x54 n THR 126 Cb 0.89 -0.92 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 2x54 n THR 126 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x54 h LYS 127 N 0.00 0.27 0.00 -0.78 1.57 -1.53 -3.44 116.57 112.66 2x54 h LYS 127 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2x54 h LYS 127 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2x54 h LYS 127 CO 0.00 0.68 0.00 0.25 -0.57 0.00 0.00 179.45 179.81 2x54 n THR 128 N -3.98 0.00 -1.23 -0.16 -2.24 -1.21 -4.89 114.28 100.57 2x54 n THR 128 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2x54 n THR 128 Cb 0.52 -1.70 0.14 0.00 -2.10 0.00 0.00 70.33 67.19 2x54 n THR 128 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x54 s THR 129 N -0.31 2.55 0.48 4.28 -4.23 -1.26 -3.81 115.64 113.33 2x54 s THR 129 Ca 0.00 0.18 0.29 0.00 -1.18 0.00 0.00 61.69 60.98 2x54 s THR 129 Cb 0.00 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.48 2x54 s THR 129 CO 0.00 -0.23 2.14 0.78 -0.54 0.00 0.00 174.62 176.77 2x54 h ASN 130 N -1.59 0.00 -0.76 3.99 2.35 -1.71 -2.75 115.58 115.11 2x54 h ASN 130 Ca -0.50 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.19 2x54 h ASN 130 Cb 1.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 2x54 h ASN 130 CO 0.56 0.07 0.26 0.15 -1.65 0.00 0.00 177.43 176.82 2x54 h PHE 131 N 0.00 1.21 -0.38 1.19 3.57 -1.89 -2.44 116.94 118.20 2x54 h PHE 131 Ca -0.00 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2x54 h PHE 131 Cb 0.22 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2x54 h PHE 131 CO 0.00 0.94 -0.07 0.00 -2.23 0.00 0.00 178.31 176.94 2x54 h ALA 132 N 1.15 1.17 -0.14 2.41 0.00 -1.86 -0.83 119.26 121.16 2x54 h ALA 132 Ca 0.25 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2x54 h ALA 132 Cb 0.27 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x54 h ALA 132 CO -0.01 0.53 -0.50 0.82 0.00 0.00 0.00 179.25 180.09 2x54 h ILE 133 N 0.59 1.34 -0.58 0.00 2.04 -1.59 -2.40 117.51 116.92 2x54 h ILE 133 Ca 0.11 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 2x54 h ILE 133 Cb 0.48 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2x54 h ILE 133 CO 0.03 0.54 0.23 0.40 0.00 0.00 0.00 178.15 179.35 2x54 h ILE 134 N 0.22 1.22 0.00 -0.67 1.08 -1.33 0.20 117.51 118.24 2x54 h ILE 134 Ca -0.02 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 2x54 h ILE 134 Cb 1.13 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 2x54 h ILE 134 CO 0.11 0.27 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.82 2x54 h ASP 135 N 0.79 0.00 0.04 1.72 3.58 -1.17 -1.28 116.42 120.10 2x54 h ASP 135 Ca 0.19 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2x54 h ASP 135 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2x54 h ASP 135 CO -0.02 0.24 -0.02 0.22 -2.88 0.00 0.00 179.24 176.79 2x54 h TYR 136 N 0.00 -0.05 -0.77 0.28 3.20 -1.02 -3.37 116.97 115.24 2x54 h TYR 136 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2x54 h TYR 136 Cb 0.49 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 2x54 h TYR 136 CO 0.00 0.51 0.42 -0.07 -1.64 0.00 0.00 178.16 177.39 2x54 h LEU 137 N -0.96 0.59 -8.13 2.82 4.07 -0.88 -3.35 115.31 109.48 2x54 h LEU 137 Ca -0.01 0.05 -0.72 0.00 0.08 0.00 0.00 57.88 57.28 2x54 h LEU 137 Cb 0.59 -0.06 -0.21 0.00 1.08 0.00 0.00 40.66 42.05 2x54 h LEU 137 CO 0.01 0.34 0.01 -0.63 -1.08 0.00 0.00 178.44 177.09 2x54 s ILE 138 N -6.05 4.97 -0.28 1.22 1.09 -0.49 -4.85 121.20 116.82 2x54 s ILE 138 Ca -0.12 -1.22 -0.04 0.00 -1.10 0.00 0.00 60.65 58.16 2x54 s ILE 138 Cb 0.19 -4.44 0.15 0.00 -1.06 0.00 0.00 42.46 37.29 2x54 s ILE 138 CO 0.77 -1.04 0.55 -0.62 -0.10 0.00 0.00 174.94 174.50 2x54 s ASP 139 N 3.58 -0.90 0.00 3.58 2.15 -1.26 -4.75 116.67 119.07 2x54 s ASP 139 Ca 0.09 0.96 0.11 0.00 0.43 0.00 0.00 52.55 54.14 2x54 s ASP 139 Cb -0.26 1.92 0.56 0.00 -0.30 0.00 0.00 42.92 44.85 2x54 s ASP 139 CO 0.04 -0.25 1.29 -0.81 -0.17 0.00 0.00 175.17 175.27 2x54 n PRO 140 N 5.42 0.13 0.13 4.34 -0.04 -1.26 -1.92 135.00 141.80 2x54 n PRO 140 Ca -0.05 0.20 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2x54 n PRO 140 Cb 0.50 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2x54 n PRO 140 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2x54 h ASN 141 N 0.00 0.00 0.00 3.54 2.35 -1.95 -3.39 115.58 116.13 2x54 h ASN 141 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2x54 h ASN 141 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2x54 h ASN 141 CO 0.00 0.31 -1.93 0.29 -1.65 0.00 0.00 177.43 174.45 2x54 n LYS 142 N -3.04 0.38 -1.46 0.81 5.02 -0.99 -5.07 118.16 113.81 2x54 n LYS 142 Ca -0.00 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 2x54 n LYS 142 Cb 0.67 -1.21 0.06 0.00 -0.02 0.00 0.00 35.03 34.54 2x54 n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x54 n ASN 143 N -3.38 0.11 0.18 4.39 3.02 -0.81 -4.95 115.26 113.82 2x54 n ASN 143 Ca -0.31 0.71 0.04 0.00 -0.03 0.00 0.00 54.58 54.99 2x54 n ASN 143 Cb 0.77 -1.34 0.30 0.00 -0.61 0.00 0.00 39.78 38.90 2x54 n ASN 143 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2x54 h ASN 144 N 0.06 0.00 -3.63 6.41 2.35 -1.85 -3.46 115.58 115.46 2x54 h ASN 144 Ca -0.47 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 54.61 2x54 h ASN 144 Cb 1.36 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.52 2x54 h ASN 144 CO 0.48 0.43 -0.85 -0.76 -1.65 0.00 0.00 177.43 175.08 2x54 s LEU 145 N -7.20 2.37 0.40 1.61 1.43 -1.26 -4.50 118.68 111.52 2x54 s LEU 145 Ca -0.00 -0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 52.05 2x54 s LEU 145 Cb 0.11 -1.18 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2x54 s LEU 145 CO 0.70 0.15 1.18 -0.32 0.23 0.00 0.00 176.35 178.29 2x54 s MET 146 N -2.31 4.05 -0.13 1.70 -2.45 -0.62 -4.78 119.30 114.76 2x54 s MET 146 Ca 0.16 1.85 -0.07 0.00 -1.25 0.00 0.00 55.69 56.38 2x54 s MET 146 Cb -0.09 -2.67 0.05 0.00 1.25 0.00 0.00 34.83 33.37 2x54 s MET 146 CO 0.07 -0.33 0.32 -1.54 1.05 0.00 0.00 175.02 174.59 2x54 s SER 147 N -1.12 -0.37 -0.65 1.11 1.04 -1.26 -5.00 113.70 107.44 2x54 s SER 147 Ca 0.57 0.68 -0.00 0.00 0.48 0.00 0.00 55.95 57.68 2x54 s SER 147 Cb -0.31 0.57 0.42 0.00 0.10 0.00 0.00 66.02 66.79 2x54 s SER 147 CO 0.39 -0.18 1.82 -1.22 0.98 0.00 0.00 173.24 175.03 2x54 n TYR 148 N 4.19 3.11 0.00 5.02 4.01 -0.09 -4.47 117.16 128.93 2x54 n TYR 148 Ca -0.24 -2.70 0.00 0.00 -0.16 0.00 0.00 57.90 54.80 2x54 n TYR 148 Cb 0.54 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 2x54 n TYR 148 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x54 n GLY 149 N -0.72 -0.42 3.93 2.72 0.00 -1.26 -4.79 105.19 104.66 2x54 n GLY 149 Ca 0.55 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 2x54 n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x54 s TYR 150 N -2.15 3.49 -0.23 1.61 -0.85 -1.26 -3.41 117.35 114.55 2x54 s TYR 150 Ca 0.00 0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 56.89 2x54 s TYR 150 Cb 0.00 -1.89 0.01 0.00 0.38 0.00 0.00 41.96 40.46 2x54 s TYR 150 CO 0.00 0.23 -0.06 -0.06 -1.52 0.00 0.00 175.55 174.14 2x54 s PHE 151 N -2.12 2.98 -0.02 -3.49 0.08 0.17 -4.91 117.98 110.67 2x54 s PHE 151 Ca 0.40 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 56.22 2x54 s PHE 151 Cb -0.10 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2x54 s PHE 151 CO 0.32 -0.65 -0.04 -0.59 -0.10 0.00 0.00 175.22 174.17 2x54 s PHE 152 N 1.40 0.49 -0.44 0.36 -0.00 -1.26 0.23 117.98 118.76 2x54 s PHE 152 Ca 0.04 -0.09 -0.29 0.00 -0.00 0.00 0.00 56.93 56.59 2x54 s PHE 152 Cb -0.15 -0.39 0.01 0.00 -0.00 0.00 0.00 43.02 42.49 2x54 s PHE 152 CO -0.05 -0.07 1.36 1.21 -0.00 0.00 0.00 175.22 177.68 2x54 s ASN 153 N 0.31 6.36 0.24 1.98 3.84 -0.63 -4.93 114.94 122.11 2x54 s ASN 153 Ca -0.03 0.70 -0.05 0.00 0.21 0.00 0.00 52.86 53.68 2x54 s ASN 153 Cb -0.07 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.43 2x54 s ASN 153 CO -0.00 -1.44 1.86 0.28 -2.79 0.00 0.00 177.10 175.01 2x54 h SER 154 N 10.50 0.88 -0.89 -4.21 0.02 -1.91 -3.20 113.55 114.74 2x54 h SER 154 Ca -0.27 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2x54 h SER 154 Cb 1.10 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 2x54 h SER 154 CO 1.10 0.57 0.56 0.77 -1.14 0.00 0.00 176.83 178.69 2x54 h SER 155 N 1.02 0.90 0.59 3.07 4.64 -1.92 -1.17 113.55 120.67 2x54 h SER 155 Ca 0.38 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 2x54 h SER 155 Cb 0.15 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2x54 h SER 155 CO -0.17 0.59 -0.77 0.16 -0.87 0.00 0.00 176.83 175.77 2x54 h ILE 156 N 1.04 1.48 -0.46 0.95 3.07 -1.89 -3.24 117.51 118.46 2x54 h ILE 156 Ca 0.38 -2.45 0.00 0.00 1.55 0.00 0.00 64.86 64.33 2x54 h ILE 156 Cb 0.12 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2x54 h ILE 156 CO -0.16 0.71 0.00 0.49 -1.05 0.00 0.00 178.15 178.14 2x54 n PHE 157 N -3.70 1.41 -0.01 0.16 3.72 -1.14 -4.55 117.46 113.36 2x54 n PHE 157 Ca -0.02 -0.74 -0.14 0.00 -0.05 0.00 0.00 57.45 56.49 2x54 n PHE 157 Cb 0.74 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 2x54 n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x54 h ALA 158 N 3.05 0.45 -2.29 4.37 0.00 -1.24 -3.32 119.26 120.28 2x54 h ALA 158 Ca 0.00 -0.58 -0.52 0.00 0.00 0.00 0.00 54.91 53.81 2x54 h ALA 158 Cb 1.58 -0.04 0.20 0.00 0.00 0.00 0.00 17.79 19.53 2x54 h ALA 158 CO 0.30 0.71 0.17 0.41 0.00 0.00 0.00 179.25 180.84 2x54 n GLY 159 N 0.56 -0.47 3.76 0.00 0.00 -1.26 -4.81 105.19 102.97 2x54 n GLY 159 Ca -0.06 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 2x54 n GLY 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x54 s LYS 160 N -4.53 4.48 0.54 1.61 2.36 -1.26 -3.62 119.74 119.31 2x54 s LYS 160 Ca 0.67 2.01 -0.22 0.00 -2.55 0.00 0.00 55.97 55.88 2x54 s LYS 160 Cb -0.23 -3.15 -0.05 0.00 -1.05 0.00 0.00 37.83 33.35 2x54 s LYS 160 CO 0.58 -0.04 1.34 0.00 1.55 0.00 0.00 175.35 178.78 2x54 s ALA 161 N -0.86 2.84 0.40 3.13 0.00 -1.25 -4.88 121.76 121.15 2x54 s ALA 161 Ca 0.49 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.48 2x54 s ALA 161 Cb -0.36 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 2x54 s ALA 161 CO 0.45 -1.30 1.43 0.95 0.00 0.00 0.00 175.76 177.29 2x54 s THR 162 N -1.33 2.19 0.07 0.00 -4.23 -1.26 -4.97 115.64 106.11 2x54 s THR 162 Ca 0.71 0.19 -0.31 0.00 -1.18 0.00 0.00 61.69 61.09 2x54 s THR 162 Cb -0.39 -3.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 2x54 s THR 162 CO 0.47 0.04 1.25 0.27 -0.54 0.00 0.00 174.62 176.10 2x54 s ILE 163 N -1.17 3.86 0.45 2.99 -4.36 -1.26 -5.00 121.20 116.71 2x54 s ILE 163 Ca 0.55 1.33 -0.23 0.00 -0.26 0.00 0.00 60.65 62.05 2x54 s ILE 163 Cb -0.44 -3.85 -0.08 0.00 1.25 0.00 0.00 42.46 39.34 2x54 s ILE 163 CO 0.58 0.09 1.10 0.20 0.24 0.00 0.00 174.94 177.16 2x54 s ASN 164 N 1.13 6.38 -0.06 4.36 -0.87 -1.26 -5.03 114.94 119.59 2x54 s ASN 164 Ca 0.60 2.15 -0.30 0.00 -1.57 0.00 0.00 52.86 53.74 2x54 s ASN 164 Cb -0.31 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 38.31 2x54 s ASN 164 CO 0.29 -0.76 1.02 0.00 -2.57 0.00 0.00 177.10 175.08 2x54 s ARG 165 N -2.72 4.47 0.00 -0.60 1.70 -1.26 -3.64 118.95 116.90 2x54 s ARG 165 Ca 0.62 1.43 0.00 0.00 -0.47 0.00 0.00 55.73 57.32 2x54 s ARG 165 Cb -0.24 -3.51 0.00 0.00 -0.57 0.00 0.00 34.95 30.63 2x54 s ARG 165 CO 0.30 -0.22 0.00 1.63 -1.08 0.00 0.00 175.30 175.93 2x54 n LYS 166 N 4.56 -0.28 -3.76 3.89 5.02 -1.26 -3.46 118.16 122.87 2x54 n LYS 166 Ca 0.08 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.15 2x54 n LYS 166 Cb 0.49 -4.17 0.03 0.00 -0.02 0.00 0.00 35.03 31.36 2x54 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x54 n ALA 167 N 1.00 -1.23 -2.43 7.82 0.00 -1.24 -5.00 120.51 119.44 2x54 n ALA 167 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.44 2x54 n ALA 167 Cb 0.07 -4.33 0.12 0.00 0.00 0.00 0.00 19.45 15.31 2x54 n ALA 167 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x54 n GLU 168 N -4.54 -0.26 -2.88 0.00 1.02 -1.22 -4.60 120.64 108.15 2x54 n GLU 168 Ca 0.02 -2.33 -0.42 0.00 -0.02 0.00 0.00 57.16 54.41 2x54 n GLU 168 Cb 0.54 -0.72 -0.04 0.00 -0.02 0.00 0.00 31.44 31.19 2x54 n GLU 168 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x54 s THR 169 N -2.93 4.66 0.25 2.62 2.01 -1.26 -3.67 115.64 117.32 2x54 s THR 169 Ca 0.61 1.09 0.07 0.00 0.31 0.00 0.00 61.69 63.77 2x54 s THR 169 Cb -0.03 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2x54 s THR 169 CO 0.41 -0.46 0.19 -0.44 -0.69 0.00 0.00 174.62 173.63 2x54 s SER 170 N 1.83 5.52 0.55 3.53 0.01 -0.84 -4.93 113.70 119.35 2x54 s SER 170 Ca 0.35 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 2x54 s SER 170 Cb -0.13 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2x54 s SER 170 CO 0.17 -0.03 0.92 -0.94 0.41 0.00 0.00 173.24 173.77 2x54 s SER 171 N -3.80 6.29 0.49 2.44 1.04 -1.26 -0.11 113.70 118.78 2x54 s SER 171 Ca 0.33 1.22 0.15 0.00 0.48 0.00 0.00 55.95 58.13 2x54 s SER 171 Cb -0.08 -2.38 1.15 0.00 0.10 0.00 0.00 66.02 64.81 2x54 s SER 171 CO 0.25 -0.71 2.09 0.00 0.98 0.00 0.00 173.24 175.84 2x54 h ALA 172 N 0.08 1.87 0.04 5.32 0.00 -0.73 -2.51 119.26 123.33 2x54 h ALA 172 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x54 h ALA 172 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2x54 h ALA 172 CO 0.62 0.10 -0.02 1.25 0.00 0.00 0.00 179.25 181.20 2x54 h HIS 173 N 0.03 -0.05 -0.78 0.00 -0.00 -1.81 -2.46 115.15 110.09 2x54 h HIS 173 Ca 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2x54 h HIS 173 Cb 0.12 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 2x54 h HIS 173 CO 0.00 0.34 0.32 -0.44 -0.00 0.00 0.00 177.93 178.15 2x54 h ASP 174 N -0.45 1.07 -0.21 3.26 5.19 -1.90 -1.78 116.42 121.59 2x54 h ASP 174 Ca -0.01 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.12 2x54 h ASP 174 Cb 0.41 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2x54 h ASP 174 CO 0.01 0.94 -0.31 -0.37 -3.12 0.00 0.00 179.24 176.39 2x54 h VAL 175 N 1.13 1.33 -0.18 -1.35 -1.51 -1.54 -2.13 116.25 111.99 2x54 h VAL 175 Ca 0.26 -1.51 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 2x54 h VAL 175 Cb 0.20 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 2x54 h VAL 175 CO -0.02 0.47 0.09 0.00 -1.23 0.00 0.00 177.57 176.87 2x54 h ALA 176 N 0.63 0.21 -0.74 5.19 0.00 -1.39 0.11 119.26 123.27 2x54 h ALA 176 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2x54 h ALA 176 Cb 0.89 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2x54 h ALA 176 CO 0.07 -0.34 0.44 0.87 0.00 0.00 0.00 179.25 180.30 2x54 h LYS 177 N 0.19 0.80 -0.52 0.00 1.57 -1.35 0.42 116.57 117.68 2x54 h LYS 177 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2x54 h LYS 177 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2x54 h LYS 177 CO -0.05 0.53 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.12 2x54 h ARG 178 N 0.82 1.01 0.06 3.15 2.43 -0.96 -2.49 114.38 118.41 2x54 h ARG 178 Ca 0.33 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2x54 h ARG 178 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2x54 h ARG 178 CO -0.17 1.08 -0.03 0.82 -1.51 0.00 0.00 179.97 180.16 2x54 h ILE 179 N 0.88 1.24 -0.00 1.20 2.04 -0.22 -3.20 117.51 119.45 2x54 h ILE 179 Ca 0.13 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2x54 h ILE 179 Cb 0.72 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2x54 h ILE 179 CO 0.06 0.29 0.00 -0.26 0.00 0.00 0.00 178.15 178.24 2x54 h PHE 180 N -0.65 0.00 0.06 1.37 0.04 -0.21 -1.06 116.94 116.48 2x54 h PHE 180 Ca -0.01 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.54 2x54 h PHE 180 Cb 0.55 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 2x54 h PHE 180 CO 0.10 0.00 -0.89 0.77 -0.60 0.00 0.00 178.31 177.70 2x54 h SER 181 N 0.00 0.68 0.00 2.17 0.02 -1.48 -2.52 113.55 112.42 2x54 h SER 181 Ca 0.00 -0.81 -0.14 0.00 -0.84 0.00 0.00 61.79 60.01 2x54 h SER 181 Cb 0.01 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.35 2x54 h SER 181 CO -0.00 1.41 -0.53 0.50 -1.14 0.00 0.00 176.83 177.07 2x54 h LYS 182 N 0.04 0.35 0.00 3.45 1.63 -1.40 -3.28 116.57 117.36 2x54 h LYS 182 Ca -0.13 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 2x54 h LYS 182 Cb 1.60 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2x54 h LYS 182 CO 0.17 1.07 0.00 -0.39 -3.45 0.00 0.00 179.45 176.85 2x54 h VAL 183 N -0.20 0.00 -5.72 2.00 -1.51 -1.37 -3.47 116.25 105.98 2x54 h VAL 183 Ca -0.07 -0.45 -0.35 0.00 -1.23 0.00 0.00 66.70 64.60 2x54 h VAL 183 Cb 1.26 1.35 0.15 0.00 -2.13 0.00 0.00 31.29 31.92 2x54 h VAL 183 CO 0.10 0.00 -0.77 0.00 -1.23 0.00 0.00 177.57 175.68 2x54 n GLN 184 N -2.61 -6.58 -4.07 5.19 6.02 -0.98 -5.02 117.38 109.33 2x54 n GLN 184 Ca 0.02 0.82 -0.07 0.00 -0.01 0.00 0.00 57.00 57.76 2x54 n GLN 184 Cb 0.32 -5.80 -0.10 0.00 1.02 0.00 0.00 30.24 25.68 2x54 n GLN 184 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2x54 s PHE 185 N -3.39 0.48 0.00 1.08 5.36 -1.03 -4.78 117.98 115.71 2x54 s PHE 185 Ca 0.06 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.08 2x54 s PHE 185 Cb -0.03 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.29 2x54 s PHE 185 CO 0.74 -0.34 -0.04 -0.65 -1.46 0.00 0.00 175.22 173.46 2x54 s GLN 186 N -3.47 0.33 0.28 10.12 -1.52 -1.26 -4.64 119.66 119.50 2x54 s GLN 186 Ca 0.03 -0.23 -0.17 0.00 -1.95 0.00 0.00 55.36 53.04 2x54 s GLN 186 Cb 0.05 -0.27 -0.09 0.00 -0.22 0.00 0.00 33.01 32.48 2x54 s GLN 186 CO -0.08 0.07 0.73 -1.25 -0.25 0.00 0.00 175.29 174.51 2x54 s PRO 187 N -0.32 4.11 -0.15 2.91 0.04 -1.26 -4.86 135.00 135.46 2x54 s PRO 187 Ca -0.01 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 2x54 s PRO 187 Cb -0.03 -2.62 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2x54 s PRO 187 CO -0.00 0.25 -0.03 0.95 0.04 0.00 0.00 177.00 178.21 2x54 s THR 188 N -1.79 0.93 0.13 1.26 -4.23 -1.01 -4.61 115.64 106.33 2x54 s THR 188 Ca 0.49 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 2x54 s THR 188 Cb -0.13 -1.14 -0.07 0.00 1.34 0.00 0.00 72.50 72.50 2x54 s THR 188 CO 0.19 0.11 0.89 -0.89 -0.54 0.00 0.00 174.62 174.38 2x54 s THR 189 N 1.71 4.45 -0.00 3.99 2.01 -1.26 -0.32 115.64 126.21 2x54 s THR 189 Ca 0.01 1.94 0.00 0.00 0.31 0.00 0.00 61.69 63.95 2x54 s THR 189 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2x54 s THR 189 CO -0.07 0.39 -0.00 0.28 -0.69 0.00 0.00 174.62 174.52 2x54 s THR 190 N -0.38 0.03 -0.23 -0.82 -1.32 -0.07 -4.18 115.64 108.68 2x54 s THR 190 Ca 0.43 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.80 2x54 s THR 190 Cb -0.23 -0.05 -0.05 0.00 -1.51 0.00 0.00 72.50 70.66 2x54 s THR 190 CO 0.28 0.02 0.21 -0.63 -2.21 0.00 0.00 174.62 172.29 2x54 s ILE 191 N 0.13 5.33 -0.15 5.08 1.01 -1.26 -1.09 121.20 130.25 2x54 s ILE 191 Ca -0.01 0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2x54 s ILE 191 Cb -0.02 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.96 2x54 s ILE 191 CO -0.00 0.34 0.51 -1.10 0.00 0.00 0.00 174.94 174.69 2x54 s GLN 192 N 1.01 0.68 0.40 2.79 -1.52 0.24 -4.91 119.66 118.34 2x54 s GLN 192 Ca 0.10 0.52 -0.27 0.00 -1.95 0.00 0.00 55.36 53.76 2x54 s GLN 192 Cb -0.13 0.32 -0.10 0.00 -0.22 0.00 0.00 33.01 32.88 2x54 s GLN 192 CO 0.04 -0.12 1.41 -1.58 -0.25 0.00 0.00 175.29 174.79 2x54 s HIS 193 N -0.16 2.66 0.25 0.91 5.65 -1.26 -1.50 115.29 121.83 2x54 s HIS 193 Ca -0.04 1.28 -0.28 0.00 0.25 0.00 0.00 55.06 56.27 2x54 s HIS 193 Cb -0.03 -3.88 -0.15 0.00 -1.18 0.00 0.00 32.58 27.34 2x54 s HIS 193 CO 0.03 -2.64 0.81 0.00 -0.65 0.00 0.00 174.74 172.29 2x54 n ALA 194 N 0.25 -1.30 -0.15 1.58 0.00 -0.84 -4.83 120.51 115.21 2x54 n ALA 194 Ca 0.03 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2x54 n ALA 194 Cb 0.41 -1.85 0.05 0.00 0.00 0.00 0.00 19.45 18.05 2x54 n ALA 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2x54 h PRO 195 N 1.60 0.42 -6.66 0.00 0.13 -1.92 -3.42 132.00 122.15 2x54 h PRO 195 Ca -0.35 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 2x54 h PRO 195 Cb 1.38 -0.09 0.03 0.00 0.13 0.00 0.00 31.00 32.44 2x54 h PRO 195 CO 0.59 0.28 0.61 -1.54 -0.23 0.00 0.00 178.00 177.71 2x54 s SER 196 N -5.45 6.98 0.47 1.44 1.04 -1.26 -4.94 113.70 111.97 2x54 s SER 196 Ca -0.13 2.31 0.21 0.00 0.48 0.00 0.00 55.95 58.82 2x54 s SER 196 Cb 0.14 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.81 2x54 s SER 196 CO 0.73 -0.47 1.99 -0.33 0.98 0.00 0.00 173.24 176.14 2x54 h GLU 197 N 5.46 0.00 -0.34 4.02 5.08 -2.02 -2.96 114.58 123.82 2x54 h GLU 197 Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2x54 h GLU 197 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2x54 h GLU 197 CO 0.77 0.19 -0.05 1.79 -1.00 0.00 0.00 179.01 180.71 2x54 h THR 198 N 0.00 1.27 -2.98 1.13 1.35 -1.95 -3.42 112.91 108.31 2x54 h THR 198 Ca -0.00 -1.07 -0.57 0.00 -0.55 0.00 0.00 66.41 64.22 2x54 h THR 198 Cb 0.40 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 2x54 h THR 198 CO 0.02 0.35 1.06 -0.62 -0.25 0.00 0.00 175.52 176.08 2x54 s ASP 199 N -6.20 6.49 0.00 5.36 2.15 -1.12 -4.60 116.67 118.75 2x54 s ASP 199 Ca -0.13 1.35 0.27 0.00 0.43 0.00 0.00 52.55 54.46 2x54 s ASP 199 Cb 0.09 -2.54 0.93 0.00 -0.30 0.00 0.00 42.92 41.10 2x54 s ASP 199 CO 0.79 -1.21 1.67 -0.81 -0.17 0.00 0.00 175.17 175.44 2x54 n PRO 200 N 7.57 1.74 -1.68 4.34 -0.04 -1.26 -4.66 135.00 141.02 2x54 n PRO 200 Ca 0.17 -1.09 -0.35 0.00 -0.04 0.00 0.00 63.50 62.19 2x54 n PRO 200 Cb 0.46 -1.47 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2x54 n PRO 200 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2x54 s ARG 201 N -1.96 2.50 -0.22 0.54 0.52 -1.26 -4.91 118.95 114.17 2x54 s ARG 201 Ca 0.36 1.81 -0.07 0.00 -0.52 0.00 0.00 55.73 57.31 2x54 s ARG 201 Cb 0.20 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 2x54 s ARG 201 CO 0.32 -1.57 0.05 1.21 0.02 0.00 0.00 175.30 175.34 2x54 s ASN 202 N -1.83 5.19 0.22 0.23 2.47 -1.26 -1.99 114.94 117.97 2x54 s ASN 202 Ca 0.76 -0.13 0.11 0.00 0.42 0.00 0.00 52.86 54.02 2x54 s ASN 202 Cb -0.30 -1.91 -0.05 0.00 -1.45 0.00 0.00 41.25 37.54 2x54 s ASN 202 CO 0.40 0.05 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.87 2x54 s LEU 203 N 1.11 2.51 -0.20 3.21 1.43 -0.56 -1.21 118.68 124.96 2x54 s LEU 203 Ca 0.04 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2x54 s LEU 203 Cb -0.14 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2x54 s LEU 203 CO 0.03 0.03 -0.03 -0.22 0.23 0.00 0.00 176.35 176.38 2x54 s LEU 204 N -3.05 3.02 0.09 1.79 0.20 -1.26 -0.59 118.68 118.88 2x54 s LEU 204 Ca 0.23 -0.31 0.09 0.00 0.69 0.00 0.00 54.13 54.83 2x54 s LEU 204 Cb -0.06 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 2x54 s LEU 204 CO 0.11 0.03 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.62 2x54 s PHE 205 N 1.16 1.94 -0.10 5.38 0.08 -0.25 -0.92 117.98 125.27 2x54 s PHE 205 Ca 0.02 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 2x54 s PHE 205 Cb -0.15 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2x54 s PHE 205 CO -0.00 0.20 0.31 0.42 -0.10 0.00 0.00 175.22 176.06 2x54 s ILE 206 N -1.04 5.25 -0.20 0.64 -1.09 -1.22 -0.89 121.20 122.64 2x54 s ILE 206 Ca 0.09 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 59.04 2x54 s ILE 206 Cb -0.10 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2x54 s ILE 206 CO 0.04 0.49 0.06 0.20 -1.23 0.00 0.00 174.94 174.50 2x54 s ASN 207 N -0.27 5.42 -0.14 3.58 0.01 0.56 -0.65 114.94 123.44 2x54 s ASN 207 Ca 0.19 -0.03 0.18 0.00 -0.71 0.00 0.00 52.86 52.49 2x54 s ASN 207 Cb -0.14 -1.94 0.44 0.00 0.41 0.00 0.00 41.25 40.02 2x54 s ASN 207 CO 0.07 0.10 1.18 0.49 -1.51 0.00 0.00 177.10 177.44 2x54 n PHE 208 N 4.02 0.49 -4.34 2.20 3.72 0.14 -2.40 117.46 121.28 2x54 n PHE 208 Ca -0.16 -1.28 -0.26 0.00 -0.05 0.00 0.00 57.45 55.70 2x54 n PHE 208 Cb 0.52 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 2x54 n PHE 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x54 s ALA 209 N -2.09 2.85 0.24 4.37 0.00 -1.24 -1.61 121.76 124.28 2x54 s ALA 209 Ca 0.37 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.82 2x54 s ALA 209 Cb 0.38 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2x54 s ALA 209 CO -0.09 0.41 -0.12 -1.54 0.00 0.00 0.00 175.76 174.42 2x54 s SER 210 N -2.96 2.72 0.60 0.00 1.04 -1.26 -4.89 113.70 108.94 2x54 s SER 210 Ca 0.25 -1.08 0.31 0.00 0.48 0.00 0.00 55.95 55.91 2x54 s SER 210 Cb -0.08 -0.16 1.82 0.00 0.10 0.00 0.00 66.02 67.70 2x54 s SER 210 CO 0.14 -0.21 2.21 0.08 0.98 0.00 0.00 173.24 176.44 2x54 h ARG 211 N 2.44 0.00 -5.08 4.02 0.11 -1.92 -1.43 114.38 112.53 2x54 h ARG 211 Ca -0.39 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.06 2x54 h ARG 211 Cb 1.23 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.97 2x54 h ARG 211 CO 0.64 0.00 -0.86 -0.80 0.10 0.00 0.00 179.97 179.05 2x54 s ASN 212 N -5.93 2.77 0.11 0.08 0.01 -1.26 -4.62 114.94 106.11 2x54 s ASN 212 Ca -0.05 -0.51 -0.16 0.00 -0.71 0.00 0.00 52.86 51.43 2x54 s ASN 212 Cb 0.15 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 2x54 s ASN 212 CO 0.53 0.10 1.57 -0.25 -1.51 0.00 0.00 177.10 177.54 2x54 h TRP 213 N 7.01 0.64 -3.65 2.20 2.91 -1.87 -3.33 115.95 119.86 2x54 h TRP 213 Ca -0.26 -0.10 -0.75 0.00 1.13 0.00 0.00 58.89 58.91 2x54 h TRP 213 Cb 1.21 -0.17 -0.30 0.00 -0.51 0.00 0.00 29.16 29.39 2x54 h TRP 213 CO 0.47 0.68 -0.02 -0.80 -1.03 0.00 0.00 178.44 177.75 2x54 s ASN 214 N -6.05 6.28 0.21 2.65 0.01 -1.26 -4.83 114.94 111.94 2x54 s ASN 214 Ca -0.13 -3.00 -0.32 0.00 -0.71 0.00 0.00 52.86 48.70 2x54 s ASN 214 Cb 0.09 -2.07 -0.14 0.00 0.41 0.00 0.00 41.25 39.54 2x54 s ASN 214 CO 0.77 -0.42 1.38 0.54 -1.51 0.00 0.00 177.10 177.86 2x54 n ARG 215 N 3.44 1.83 -4.24 -0.60 1.74 -1.25 -5.03 116.66 112.55 2x54 n ARG 215 Ca 0.14 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.57 2x54 n ARG 215 Cb 0.42 -2.30 -0.09 0.00 -1.02 0.00 0.00 32.46 29.47 2x54 n ARG 215 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x54 s LYS 216 N -0.16 2.37 -0.20 5.56 1.02 -1.26 -5.04 119.74 122.03 2x54 s LYS 216 Ca 0.72 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 55.64 2x54 s LYS 216 Cb -0.71 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2x54 s LYS 216 CO 0.48 0.54 0.47 0.50 -0.92 0.00 0.00 175.35 176.42 2x54 s ARG 217 N -2.08 4.17 -0.04 1.68 3.52 -1.26 -4.25 118.95 120.69 2x54 s ARG 217 Ca 0.22 0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 56.08 2x54 s ARG 217 Cb -0.11 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2x54 s ARG 217 CO 0.14 -0.12 0.20 0.42 -0.81 0.00 0.00 175.30 175.13 2x54 s ILE 218 N 1.55 5.41 -0.23 4.11 1.09 -0.57 -4.97 121.20 127.59 2x54 s ILE 218 Ca 0.22 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 59.86 2x54 s ILE 218 Cb -0.15 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2x54 s ILE 218 CO 0.09 0.45 -0.09 0.28 -0.10 0.00 0.00 174.94 175.58 2x54 s THR 219 N -1.20 2.80 0.32 2.92 -1.32 -1.26 0.28 115.64 118.17 2x54 s THR 219 Ca 0.23 -0.91 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2x54 s THR 219 Cb -0.13 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 2x54 s THR 219 CO 0.12 0.31 0.15 0.28 -2.21 0.00 0.00 174.62 173.27 2x54 s THR 220 N 1.34 0.43 -0.03 5.08 -1.32 0.56 -4.97 115.64 116.73 2x54 s THR 220 Ca 0.02 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.57 2x54 s THR 220 Cb -0.15 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2x54 s THR 220 CO -0.06 0.00 -0.24 -0.60 -2.21 0.00 0.00 174.62 171.51 2x54 s ARG 221 N -3.82 2.14 -0.26 7.08 3.52 -1.26 -1.00 118.95 125.35 2x54 s ARG 221 Ca 0.34 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2x54 s ARG 221 Cb 0.05 -1.95 0.03 0.00 -1.56 0.00 0.00 34.95 31.52 2x54 s ARG 221 CO 0.17 0.45 -0.05 0.08 -0.81 0.00 0.00 175.30 175.14 2x54 s VAL 222 N -0.37 2.91 0.39 7.11 1.01 -0.43 -4.89 120.40 126.12 2x54 s VAL 222 Ca 0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 2x54 s VAL 222 Cb -0.11 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 2x54 s VAL 222 CO 0.01 0.12 0.78 -0.62 0.00 0.00 0.00 175.10 175.40 2x54 s ASP 223 N 1.31 6.62 0.60 3.32 -1.08 -1.26 -4.50 116.67 121.68 2x54 s ASP 223 Ca -0.01 1.23 0.33 0.00 -0.52 0.00 0.00 52.55 53.58 2x54 s ASP 223 Cb -0.17 -2.36 1.90 0.00 -1.46 0.00 0.00 42.92 40.82 2x54 s ASP 223 CO -0.04 -0.35 2.25 -0.29 0.52 0.00 0.00 175.17 177.27 2x54 h ILE 224 N 1.39 0.41 0.00 4.11 6.09 -1.99 -2.35 117.51 125.17 2x54 h ILE 224 Ca -0.47 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 2x54 h ILE 224 Cb 1.18 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2x54 h ILE 224 CO 0.64 0.02 0.00 0.07 -3.07 0.00 0.00 178.15 175.81 2x54 h LYS 225 N 0.00 0.00 -0.00 2.19 2.10 -2.02 -2.55 116.57 116.29 2x54 h LYS 225 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2x54 h LYS 225 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2x54 h LYS 225 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 2x54 n GLN 226 N -2.84 1.01 -3.54 0.07 6.02 -0.88 -4.91 117.38 112.30 2x54 n GLN 226 Ca -0.01 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 2x54 n GLN 226 Cb 0.16 -1.03 0.05 0.00 1.02 0.00 0.00 30.24 30.45 2x54 n GLN 226 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2x54 n SER 227 N -0.51 -3.12 -4.76 1.08 7.64 -0.96 -0.59 113.62 112.40 2x54 n SER 227 Ca 0.01 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 2x54 n SER 227 Cb 0.01 -4.45 -0.02 0.00 -1.01 0.00 0.00 64.21 58.74 2x54 n SER 227 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x54 s VAL 228 N -3.51 2.44 -0.47 0.44 1.01 -1.26 -4.62 120.40 114.43 2x54 s VAL 228 Ca 0.17 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2x54 s VAL 228 Cb -0.04 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.21 2x54 s VAL 228 CO 0.79 0.09 0.23 -0.89 0.00 0.00 0.00 175.10 175.32 2x54 s THR 229 N -0.68 2.93 -0.26 3.92 2.01 0.53 -4.96 115.64 119.14 2x54 s THR 229 Ca 0.55 -2.69 -0.20 0.00 0.31 0.00 0.00 61.69 59.65 2x54 s THR 229 Cb -0.43 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 2x54 s THR 229 CO 0.52 -0.74 0.61 -0.32 -0.69 0.00 0.00 174.62 174.00 2x54 s MET 230 N 0.40 4.07 0.16 4.92 1.75 -1.26 -2.43 119.30 126.92 2x54 s MET 230 Ca 0.13 0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 55.00 2x54 s MET 230 Cb -0.22 -3.66 -0.03 0.00 2.84 0.00 0.00 34.83 33.76 2x54 s MET 230 CO -0.04 -0.43 0.18 0.16 -0.65 0.00 0.00 175.02 174.25 2x54 s ASP 231 N 1.51 0.16 -0.10 1.11 -4.77 -0.82 -5.01 116.67 108.75 2x54 s ASP 231 Ca 0.25 -1.08 0.02 0.00 -3.30 0.00 0.00 52.55 48.45 2x54 s ASP 231 Cb -0.15 0.38 -0.01 0.00 -1.09 0.00 0.00 42.92 42.04 2x54 s ASP 231 CO 0.09 -0.83 -0.18 0.42 0.70 0.00 0.00 175.17 175.37 2x54 s THR 232 N -4.03 2.62 0.28 2.11 -4.23 -1.26 -0.19 115.64 110.94 2x54 s THR 232 Ca 0.23 -0.83 0.11 0.00 -1.18 0.00 0.00 61.69 60.02 2x54 s THR 232 Cb 0.05 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 2x54 s THR 232 CO 0.03 0.55 -0.13 -0.70 -0.54 0.00 0.00 174.62 173.82 2x54 s GLU 233 N 0.13 1.87 -0.18 3.99 2.12 0.21 -4.95 118.70 121.88 2x54 s GLU 233 Ca -0.09 -1.68 0.01 0.00 0.36 0.00 0.00 54.97 53.56 2x54 s GLU 233 Cb -0.15 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.39 2x54 s GLU 233 CO 0.06 0.32 -0.14 0.95 -0.54 0.00 0.00 175.26 175.91 2x54 s THR 234 N -2.47 1.73 -0.02 -1.70 -4.23 -1.26 -0.57 115.64 107.12 2x54 s THR 234 Ca 0.31 -0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 59.70 2x54 s THR 234 Cb -0.05 -1.69 -0.15 0.00 1.34 0.00 0.00 72.50 71.95 2x54 s THR 234 CO 0.17 0.34 1.03 0.40 -0.54 0.00 0.00 174.62 176.01 2x54 h ILE 235 N 6.20 0.62 -2.94 2.99 2.04 -1.95 -3.45 117.51 121.02 2x54 h ILE 235 Ca -0.35 -0.77 -0.64 0.00 1.00 0.00 0.00 64.86 64.10 2x54 h ILE 235 Cb 1.12 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 38.07 2x54 h ILE 235 CO 0.53 0.13 -0.50 -0.69 0.00 0.00 0.00 178.15 177.62 2x54 s VAL 236 N -4.06 5.32 -0.70 1.67 1.01 -1.26 -5.00 120.40 117.38 2x54 s VAL 236 Ca -0.13 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 2x54 s VAL 236 Cb 0.01 -3.35 0.06 0.00 0.00 0.00 0.00 36.38 33.10 2x54 s VAL 236 CO 0.48 0.55 1.08 -1.81 0.00 0.00 0.00 175.10 175.40 2x54 s ASP 237 N -0.47 6.19 0.09 3.32 1.11 -1.26 -3.93 116.67 121.72 2x54 s ASP 237 Ca 0.12 -0.85 0.08 0.00 0.18 0.00 0.00 52.55 52.08 2x54 s ASP 237 Cb -0.12 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 2x54 s ASP 237 CO 0.02 -1.56 -0.22 -0.13 1.18 0.00 0.00 175.17 174.45 2x54 s ARG 238 N 4.59 1.24 0.23 8.23 0.52 -1.26 -5.05 118.95 127.44 2x54 s ARG 238 Ca 0.27 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 54.03 2x54 s ARG 238 Cb -0.13 -1.50 -0.14 0.00 0.52 0.00 0.00 34.95 33.70 2x54 s ARG 238 CO 0.11 0.36 1.31 0.43 0.02 0.00 0.00 175.30 177.53 2x54 n SER 239 N 1.24 2.30 -0.93 0.23 7.64 -1.18 -4.28 113.62 118.63 2x54 n SER 239 Ca -0.19 1.15 0.12 0.00 1.01 0.00 0.00 58.87 60.96 2x54 n SER 239 Cb 0.53 -1.37 0.21 0.00 -1.01 0.00 0.00 64.21 62.58 2x54 n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x54 n ALA 240 N 1.61 2.47 -3.33 -0.43 0.00 -1.26 -4.30 120.51 115.26 2x54 n ALA 240 Ca 0.12 -0.75 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 2x54 n ALA 240 Cb 0.30 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 2x54 n ALA 240 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2x54 s TYR 241 N -1.82 3.34 0.51 0.00 2.02 -1.26 -4.94 117.35 115.20 2x54 s TYR 241 Ca 0.33 -1.61 0.15 0.00 -0.37 0.00 0.00 57.07 55.58 2x54 s TYR 241 Cb 0.21 -2.81 1.24 0.00 -0.40 0.00 0.00 41.96 40.20 2x54 s TYR 241 CO 0.31 -0.83 2.14 -2.95 -1.57 0.00 0.00 175.55 172.64 2x54 h ASN 242 N 8.31 0.03 -3.41 2.29 7.08 -1.15 -3.43 115.58 125.30 2x54 h ASN 242 Ca -0.22 -0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.51 2x54 h ASN 242 Cb 1.08 -0.01 -0.34 0.00 -2.08 0.00 0.00 38.32 36.97 2x54 h ASN 242 CO 0.71 0.03 -0.80 0.12 -2.08 0.00 0.00 177.43 175.40 2x54 s PHE 243 N -5.07 1.30 -0.15 4.14 5.36 -0.28 -3.70 117.98 119.57 2x54 s PHE 243 Ca -0.05 -0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 55.39 2x54 s PHE 243 Cb 0.17 -0.99 -0.04 0.00 -0.34 0.00 0.00 43.02 41.82 2x54 s PHE 243 CO 0.67 -0.28 0.02 0.00 -1.46 0.00 0.00 175.22 174.18 2x54 s ALA 244 N 0.81 3.28 -0.62 11.12 0.00 -0.89 -1.89 121.76 133.56 2x54 s ALA 244 Ca -0.12 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2x54 s ALA 244 Cb -0.15 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.32 2x54 s ALA 244 CO 0.02 0.29 0.90 0.08 0.00 0.00 0.00 175.76 177.06 2x54 s VAL 245 N 0.05 4.43 -0.21 0.00 1.01 0.13 -1.85 120.40 123.95 2x54 s VAL 245 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 2x54 s VAL 245 Cb -0.13 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2x54 s VAL 245 CO 0.02 -1.32 0.28 -0.69 0.00 0.00 0.00 175.10 173.38 2x54 s VAL 246 N 3.78 5.29 -0.10 2.92 1.01 -0.90 -0.87 120.40 131.53 2x54 s VAL 246 Ca 0.22 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 2x54 s VAL 246 Cb -0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2x54 s VAL 246 CO 0.11 0.31 -0.03 -0.36 0.00 0.00 0.00 175.10 175.13 2x54 s PHE 247 N 1.09 3.05 -0.13 5.22 0.08 -0.42 -1.13 117.98 125.75 2x54 s PHE 247 Ca 0.13 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.22 2x54 s PHE 247 Cb -0.14 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2x54 s PHE 247 CO 0.06 0.29 -0.22 0.08 -0.10 0.00 0.00 175.22 175.32 2x54 s VAL 248 N -0.50 2.02 0.36 -0.44 1.01 -1.26 -2.37 120.40 119.22 2x54 s VAL 248 Ca 0.08 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2x54 s VAL 248 Cb -0.12 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 2x54 s VAL 248 CO 0.02 0.55 1.30 -0.75 0.00 0.00 0.00 175.10 176.21 2x54 s LYS 249 N 0.70 4.20 0.01 2.72 2.20 -1.23 -4.57 119.74 123.77 2x54 s LYS 249 Ca -0.10 2.17 -0.23 0.00 -0.36 0.00 0.00 55.97 57.45 2x54 s LYS 249 Cb -0.16 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2x54 s LYS 249 CO 0.01 -0.30 0.69 1.21 -0.36 0.00 0.00 175.35 176.60 2x54 s ASN 250 N -0.61 7.09 0.12 1.43 3.84 0.23 -4.76 114.94 122.28 2x54 s ASN 250 Ca 0.52 1.30 -0.17 0.00 0.21 0.00 0.00 52.86 54.72 2x54 s ASN 250 Cb -0.39 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 37.87 2x54 s ASN 250 CO 0.51 0.04 1.66 0.11 -2.79 0.00 0.00 177.10 176.62 2x54 h LYS 251 N 5.78 0.53 -0.62 0.43 1.79 -1.96 0.34 116.57 122.87 2x54 h LYS 251 Ca -0.44 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 57.83 2x54 h LYS 251 Cb 1.20 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2x54 h LYS 251 CO 0.71 0.54 0.02 0.00 -1.08 0.00 0.00 179.45 179.64 2x54 h ALA 252 N 0.97 0.87 0.00 3.86 0.00 -1.95 -3.17 119.26 119.84 2x54 h ALA 252 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x54 h ALA 252 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x54 h ALA 252 CO -0.01 0.67 -1.00 0.25 0.00 0.00 0.00 179.25 179.16 2x54 n THR 253 N -4.19 0.28 -2.43 0.00 -2.24 -1.23 -4.95 114.28 99.52 2x54 n THR 253 Ca 0.03 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 2x54 n THR 253 Cb 0.33 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 2x54 n THR 253 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x54 n ASP 254 N -2.14 -4.51 -4.08 3.42 2.03 0.10 -4.93 116.55 106.44 2x54 n ASP 254 Ca 0.01 0.13 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 2x54 n ASP 254 Cb 0.47 -3.80 -0.10 0.00 -0.72 0.00 0.00 41.12 36.97 2x54 n ASP 254 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2x54 s ASP 255 N -2.04 0.75 -0.16 1.67 2.15 -1.18 -4.91 116.67 112.96 2x54 s ASP 255 Ca 0.00 -1.46 0.04 0.00 0.43 0.00 0.00 52.55 51.56 2x54 s ASP 255 Cb -0.00 0.37 0.35 0.00 -0.30 0.00 0.00 42.92 43.34 2x54 s ASP 255 CO 0.00 -0.86 1.25 -1.22 -0.17 0.00 0.00 175.17 174.18 2x54 n TYR 256 N -0.40 1.20 -0.38 -5.34 4.01 -1.26 0.78 117.16 115.77 2x54 n TYR 256 Ca 0.02 -0.72 0.31 0.00 -0.16 0.00 0.00 57.90 57.35 2x54 n TYR 256 Cb 0.65 -0.43 0.60 0.00 -0.31 0.00 0.00 39.34 39.85 2x54 n TYR 256 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2x54 h THR 257 N 1.21 0.33 -3.95 -0.72 1.35 -1.93 -3.42 112.91 105.78 2x54 h THR 257 Ca 0.14 -0.07 -0.52 0.00 -0.55 0.00 0.00 66.41 65.41 2x54 h THR 257 Cb 1.53 0.09 0.07 0.00 -1.73 0.00 0.00 68.15 68.10 2x54 h THR 257 CO 0.37 0.04 0.55 -1.81 -0.25 0.00 0.00 175.52 174.42 2x54 s ASP 258 N -4.89 6.35 0.73 5.36 1.01 -1.26 -5.02 116.67 118.95 2x54 s ASP 258 Ca -0.08 2.49 -0.14 0.00 0.71 0.00 0.00 52.55 55.53 2x54 s ASP 258 Cb 0.27 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.61 2x54 s ASP 258 CO 0.81 -0.80 1.14 -2.84 0.21 0.00 0.00 175.17 173.68 2x54 s PRO 259 N -2.33 2.34 0.60 8.23 0.02 -1.26 -4.76 135.00 137.84 2x54 s PRO 259 Ca 0.58 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 2x54 s PRO 259 Cb -0.34 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 2x54 s PRO 259 CO 0.43 -1.62 1.03 -1.25 -0.33 0.00 0.00 177.00 175.25 2x54 s PRO 260 N -4.25 3.55 -0.21 5.54 0.04 -1.26 -4.79 135.00 133.61 2x54 s PRO 260 Ca 0.68 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 2x54 s PRO 260 Cb -0.22 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2x54 s PRO 260 CO 0.47 -0.61 -0.07 0.15 0.04 0.00 0.00 177.00 176.98 2x54 s LYS 261 N -4.72 3.31 -0.10 4.56 1.02 -0.28 -4.95 119.74 118.56 2x54 s LYS 261 Ca 0.58 -0.66 -0.22 0.00 0.02 0.00 0.00 55.97 55.68 2x54 s LYS 261 Cb -0.12 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2x54 s LYS 261 CO 0.46 -0.20 0.66 -1.64 -0.92 0.00 0.00 175.35 173.71 2x54 s MET 262 N 1.45 4.37 -0.16 1.68 -1.94 -1.26 -2.13 119.30 121.31 2x54 s MET 262 Ca 0.06 0.77 0.02 0.00 -1.71 0.00 0.00 55.69 54.82 2x54 s MET 262 Cb -0.14 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.24 2x54 s MET 262 CO -0.05 0.00 -0.20 0.71 -0.01 0.00 0.00 175.02 175.47 2x54 s TYR 263 N 1.05 2.73 -0.09 -0.03 2.02 -0.77 0.27 117.35 122.54 2x54 s TYR 263 Ca 0.34 -1.43 -0.01 0.00 -0.37 0.00 0.00 57.07 55.60 2x54 s TYR 263 Cb -0.17 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2x54 s TYR 263 CO 0.15 -0.68 -0.02 -1.50 -1.57 0.00 0.00 175.55 171.93 2x54 s ILE 264 N 1.02 4.09 -0.29 2.71 2.07 -0.04 -2.10 121.20 128.67 2x54 s ILE 264 Ca -0.02 -0.33 -0.12 0.00 -1.41 0.00 0.00 60.65 58.77 2x54 s ILE 264 Cb -0.14 -2.71 -0.04 0.00 0.13 0.00 0.00 42.46 39.69 2x54 s ILE 264 CO -0.06 0.59 0.24 0.00 -1.91 0.00 0.00 174.94 173.81 2x54 s ALA 265 N -0.75 3.53 0.89 1.50 0.00 -1.24 -1.62 121.76 124.07 2x54 s ALA 265 Ca 0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2x54 s ALA 265 Cb -0.11 -2.58 0.13 0.00 0.00 0.00 0.00 23.12 20.55 2x54 s ALA 265 CO 0.02 -0.68 1.10 0.15 0.00 0.00 0.00 175.76 176.34 2x54 s LYS 266 N 1.83 1.29 0.41 0.00 1.02 -0.22 -4.52 119.74 119.56 2x54 s LYS 266 Ca 0.09 0.72 0.08 0.00 0.02 0.00 0.00 55.97 56.87 2x54 s LYS 266 Cb -0.16 -1.82 0.89 0.00 -0.52 0.00 0.00 37.83 36.21 2x54 s LYS 266 CO 0.11 -2.19 2.05 -0.91 -0.92 0.00 0.00 175.35 173.48 2x54 h ASN 267 N -1.51 0.45 0.67 2.83 -0.26 -1.04 -1.82 115.58 114.91 2x54 h ASN 267 Ca -0.50 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.13 2x54 h ASN 267 Cb 1.29 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.43 2x54 h ASN 267 CO 0.56 0.32 -0.49 -0.55 -1.06 0.00 0.00 177.43 176.22 2x54 h ASN 268 N 0.53 0.00 0.00 5.81 7.08 -1.94 -3.47 115.58 123.59 2x54 h ASN 268 Ca 0.17 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.39 2x54 h ASN 268 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 2x54 h ASN 268 CO -0.04 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 176.41 2x54 n GLY 269 N 0.14 1.42 3.69 9.14 0.00 -0.68 -5.11 105.19 113.79 2x54 n GLY 269 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2x54 n GLY 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x54 s ASP 270 N -1.79 6.80 -0.31 1.61 1.01 -1.26 -4.67 116.67 118.06 2x54 s ASP 270 Ca 0.00 2.20 -0.15 0.00 0.71 0.00 0.00 52.55 55.31 2x54 s ASP 270 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2x54 s ASP 270 CO 0.00 -0.75 0.35 -0.69 0.21 0.00 0.00 175.17 174.29 2x54 s VAL 271 N 2.41 5.18 0.31 -1.27 1.01 -1.26 -1.05 120.40 125.73 2x54 s VAL 271 Ca 0.66 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2x54 s VAL 271 Cb -0.33 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 2x54 s VAL 271 CO 0.28 0.02 -0.05 0.27 0.00 0.00 0.00 175.10 175.62 2x54 s ILE 272 N 2.02 1.75 0.41 2.22 -4.36 -0.64 -4.99 121.20 117.62 2x54 s ILE 272 Ca 0.12 -2.11 -0.23 0.00 -0.26 0.00 0.00 60.65 58.17 2x54 s ILE 272 Cb -0.16 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.87 2x54 s ILE 272 CO 0.11 -0.21 1.06 -0.62 0.24 0.00 0.00 174.94 175.51 2x54 s ASP 273 N -3.51 6.67 0.27 4.36 -1.08 -1.26 -0.86 116.67 121.26 2x54 s ASP 273 Ca 0.32 2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 54.37 2x54 s ASP 273 Cb 0.05 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 39.29 2x54 s ASP 273 CO 0.14 -0.55 1.77 0.22 0.52 0.00 0.00 175.17 177.27 2x54 h TYR 274 N 2.36 0.81 -0.66 -5.34 3.20 -0.52 -2.96 116.97 113.85 2x54 h TYR 274 Ca -0.48 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 2x54 h TYR 274 Cb 1.22 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2x54 h TYR 274 CO 0.57 0.75 0.26 0.66 -1.64 0.00 0.00 178.16 178.76 2x54 h SER 275 N 0.71 0.88 0.88 -2.11 4.64 -1.93 -2.88 113.55 113.74 2x54 h SER 275 Ca 0.14 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2x54 h SER 275 Cb 0.44 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2x54 h SER 275 CO 0.02 0.79 0.00 0.71 -0.87 0.00 0.00 176.83 177.48 2x54 h THR 276 N 0.95 0.00 -3.02 2.95 1.35 -1.90 -3.45 112.91 109.78 2x54 h THR 276 Ca 0.22 -0.37 -0.53 0.00 -0.55 0.00 0.00 66.41 65.19 2x54 h THR 276 Cb 0.19 1.24 0.06 0.00 -1.73 0.00 0.00 68.15 67.90 2x54 h THR 276 CO -0.02 0.00 0.87 -0.47 -0.25 0.00 0.00 175.52 175.65 2x54 s TYR 277 N -3.49 2.98 -0.05 4.73 5.04 -1.09 -4.94 117.35 120.53 2x54 s TYR 277 Ca 0.03 0.71 0.07 0.00 -2.44 0.00 0.00 57.07 55.43 2x54 s TYR 277 Cb 0.09 -3.96 0.10 0.00 0.35 0.00 0.00 41.96 38.55 2x54 s TYR 277 CO 0.47 -3.40 0.98 -2.39 -1.34 0.00 0.00 175.55 169.87 2x54 n HIS 278 N 3.27 0.00 -1.79 4.97 1.44 -1.26 -5.09 115.22 116.75 2x54 n HIS 278 Ca 0.11 -0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.41 2x54 n HIS 278 Cb 0.38 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2x54 n HIS 278 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2x54 n GLY 279 N -0.57 0.12 0.85 -1.39 0.00 -1.26 -5.04 105.19 97.89 2x54 n GLY 279 Ca 0.06 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.31 2x54 n GLY 279 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x54 n ASP 280 N -2.94 2.85 0.00 1.61 5.75 -1.26 -4.99 116.55 117.57 2x54 n ASP 280 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2x54 n ASP 280 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2x54 n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x54 n GLY 281 N 1.10 3.32 0.31 6.12 0.00 -1.26 -4.93 105.19 109.85 2x54 n GLY 281 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2x54 n GLY 281 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x54 h THR 282 N 0.00 0.95 -0.02 2.61 1.35 -1.97 -1.22 112.91 114.61 2x54 h THR 282 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2x54 h THR 282 Cb 0.00 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2x54 h THR 282 CO 0.00 0.03 -0.04 -0.90 -0.25 0.00 0.00 175.52 174.36 2x54 n ASP 283 N -4.49 1.62 -4.84 5.36 5.75 -1.26 -4.92 116.55 113.77 2x54 n ASP 283 Ca 0.03 -1.48 -0.24 0.00 -0.01 0.00 0.00 54.79 53.09 2x54 n ASP 283 Cb 0.23 0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 2x54 n ASP 283 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x54 s LEU 284 N -2.07 3.91 0.65 -2.12 1.43 -0.46 -0.40 118.68 119.62 2x54 s LEU 284 Ca 0.35 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 2x54 s LEU 284 Cb 0.21 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2x54 s LEU 284 CO 0.36 0.01 1.26 -2.84 0.23 0.00 0.00 176.35 175.37 2x54 s PRO 285 N -3.52 2.58 0.55 1.29 0.02 -1.26 -4.81 135.00 129.86 2x54 s PRO 285 Ca 0.32 1.96 0.34 0.00 0.02 0.00 0.00 61.00 63.64 2x54 s PRO 285 Cb -0.09 -1.86 1.37 0.00 0.02 0.00 0.00 34.50 33.93 2x54 s PRO 285 CO 0.25 -1.54 1.98 0.38 -0.33 0.00 0.00 177.00 177.74 2x54 h ASP 286 N 0.49 0.00 -4.17 2.53 3.04 -1.97 -3.43 116.42 112.91 2x54 h ASP 286 Ca -0.50 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 52.94 2x54 h ASP 286 Cb 1.32 0.00 -0.27 0.00 -1.04 0.00 0.00 39.33 39.35 2x54 h ASP 286 CO 0.53 0.00 -0.76 0.68 -2.04 0.00 0.00 179.24 177.65 2x54 s VAL 287 N -3.67 0.62 -0.36 4.15 -7.23 -1.26 -5.14 120.40 107.51 2x54 s VAL 287 Ca 0.01 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2x54 s VAL 287 Cb 0.09 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.50 2x54 s VAL 287 CO 0.54 0.03 0.17 -0.60 -0.31 0.00 0.00 175.10 174.93 2x54 s ARG 288 N -0.58 2.72 -0.57 4.82 3.52 -1.26 -5.01 118.95 122.60 2x54 s ARG 288 Ca -0.00 -1.15 -0.12 0.00 -0.13 0.00 0.00 55.73 54.33 2x54 s ARG 288 Cb -0.05 -3.63 0.14 0.00 -1.56 0.00 0.00 34.95 29.86 2x54 s ARG 288 CO 0.00 -0.70 0.48 0.95 -0.81 0.00 0.00 175.30 175.22 2x54 s THR 289 N 1.49 4.78 0.33 4.11 -4.23 -1.26 -5.02 115.64 115.84 2x54 s THR 289 Ca 0.01 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2x54 s THR 289 Cb -0.20 -4.08 -0.06 0.00 1.34 0.00 0.00 72.50 69.51 2x54 s THR 289 CO 0.05 -0.86 0.64 0.00 -0.54 0.00 0.00 174.62 173.91 2x54 s ALA 290 N 1.14 3.50 0.00 3.99 0.00 -1.26 -0.66 121.76 128.48 2x54 s ALA 290 Ca 0.08 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 2x54 s ALA 290 Cb -0.24 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.42 2x54 s ALA 290 CO -0.01 0.16 0.29 -1.59 0.00 0.00 0.00 175.76 174.62 2x54 s LYS 291 N -3.60 0.69 -0.23 0.00 -2.85 -0.79 -4.92 119.74 108.03 2x54 s LYS 291 Ca 0.47 -0.30 -0.04 0.00 -1.00 0.00 0.00 55.97 55.10 2x54 s LYS 291 Cb -0.11 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2x54 s LYS 291 CO 0.30 -0.20 -0.02 0.99 0.10 0.00 0.00 175.35 176.51 2x54 s THR 292 N -1.66 3.45 -0.08 3.79 2.01 -1.26 0.19 115.64 122.07 2x54 s THR 292 Ca -0.11 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2x54 s THR 292 Cb -0.04 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 2x54 s THR 292 CO 0.02 0.36 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.45 2x54 s LEU 293 N 1.48 2.90 -0.13 4.42 1.43 -0.05 -4.95 118.68 123.77 2x54 s LEU 293 Ca 0.05 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2x54 s LEU 293 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2x54 s LEU 293 CO -0.02 0.29 -0.14 -0.36 0.23 0.00 0.00 176.35 176.35 2x54 s PHE 294 N -0.40 2.79 0.07 0.29 0.08 -1.26 -1.29 117.98 118.25 2x54 s PHE 294 Ca 0.05 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.46 2x54 s PHE 294 Cb -0.12 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2x54 s PHE 294 CO 0.02 -0.26 -0.20 0.71 -0.10 0.00 0.00 175.22 175.40 2x54 s TYR 295 N 0.42 1.69 -0.15 0.36 2.02 -1.00 -5.00 117.35 115.69 2x54 s TYR 295 Ca -0.11 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2x54 s TYR 295 Cb -0.16 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 2x54 s TYR 295 CO 0.05 0.13 0.17 -0.51 -1.57 0.00 0.00 175.55 173.83 2x54 s ASP 296 N -1.54 6.35 0.36 2.29 1.01 -1.26 -3.48 116.67 120.40 2x54 s ASP 296 Ca 0.06 0.41 -0.28 0.00 0.71 0.00 0.00 52.55 53.44 2x54 s ASP 296 Cb -0.09 -2.10 -0.11 0.00 1.01 0.00 0.00 42.92 41.63 2x54 s ASP 296 CO 0.03 0.27 1.43 -0.13 0.21 0.00 0.00 175.17 176.98 2x54 s ARG 297 N -0.28 4.20 1.13 8.23 0.52 -1.26 -4.91 118.95 126.57 2x54 s ARG 297 Ca 0.13 2.45 -0.16 0.00 -0.52 0.00 0.00 55.73 57.62 2x54 s ARG 297 Cb -0.12 -3.01 0.25 0.00 0.52 0.00 0.00 34.95 32.59 2x54 s ARG 297 CO 0.02 -0.42 1.09 0.16 0.02 0.00 0.00 175.30 176.18 2x54 s ASP 298 N -0.24 1.53 0.37 0.23 3.84 -1.25 -4.89 116.67 116.26 2x54 s ASP 298 Ca 0.52 0.91 0.06 0.00 -0.00 0.00 0.00 52.55 54.03 2x54 s ASP 298 Cb -0.44 -1.37 0.72 0.00 -1.38 0.00 0.00 42.92 40.46 2x54 s ASP 298 CO 0.59 -3.78 1.96 0.44 -0.00 0.00 0.00 175.17 174.38 2x54 h ASP 299 N -2.34 0.46 0.29 2.11 5.19 -1.95 -2.09 116.42 118.09 2x54 h ASP 299 Ca -0.50 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 55.77 2x54 h ASP 299 Cb 1.32 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2x54 h ASP 299 CO 0.45 0.46 -0.34 0.45 -3.12 0.00 0.00 179.24 177.14 2x54 h HIS 300 N 0.50 0.09 0.00 4.55 3.86 -2.04 -3.47 115.15 118.65 2x54 h HIS 300 Ca 0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2x54 h HIS 300 Cb 0.17 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2x54 h HIS 300 CO 0.01 0.42 0.00 0.41 0.86 0.00 0.00 177.93 179.62 2x54 n GLY 301 N -0.48 0.33 3.77 2.45 0.00 -0.79 -5.09 105.19 105.38 2x54 n GLY 301 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2x54 n GLY 301 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x54 s ASN 302 N -1.98 6.50 0.69 1.61 -0.87 -1.26 -4.75 114.94 114.88 2x54 s ASN 302 Ca 0.00 2.31 -0.16 0.00 -1.57 0.00 0.00 52.86 53.45 2x54 s ASN 302 Cb 0.00 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.64 2x54 s ASN 302 CO 0.00 -0.69 1.18 -2.84 -2.57 0.00 0.00 177.10 172.18 2x54 s PRO 303 N -2.37 2.46 0.33 -0.60 0.02 -1.26 -3.95 135.00 129.63 2x54 s PRO 303 Ca 0.58 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 2x54 s PRO 303 Cb -0.30 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 2x54 s PRO 303 CO 0.37 -1.57 1.44 -1.25 -0.33 0.00 0.00 177.00 175.67 2x54 s PRO 304 N -3.88 4.21 0.69 5.54 0.04 -1.26 -4.96 135.00 135.38 2x54 s PRO 304 Ca 0.72 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 64.02 2x54 s PRO 304 Cb -0.27 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2x54 s PRO 304 CO 0.42 -0.43 1.25 -2.00 0.04 0.00 0.00 177.00 176.28 2x54 s GLU 305 N -1.42 2.32 0.20 4.56 2.12 -1.26 -4.95 118.70 120.27 2x54 s GLU 305 Ca 0.55 1.90 -0.10 0.00 0.36 0.00 0.00 54.97 57.68 2x54 s GLU 305 Cb -0.44 -1.84 0.21 0.00 0.26 0.00 0.00 34.13 32.32 2x54 s GLU 305 CO 0.54 -1.73 1.81 1.25 -0.54 0.00 0.00 175.26 176.59 2x54 h LEU 306 N 0.10 0.56 -1.76 2.70 7.12 -1.99 -2.99 115.31 119.04 2x54 h LEU 306 Ca -0.49 0.02 0.03 0.00 0.13 0.00 0.00 57.88 57.57 2x54 h LEU 306 Cb 1.31 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 2x54 h LEU 306 CO 0.51 0.37 0.21 0.77 -0.13 0.00 0.00 178.44 180.17 2x54 h SER 307 N 0.69 0.27 0.42 1.25 4.64 -1.96 -1.53 113.55 117.33 2x54 h SER 307 Ca 0.28 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 2x54 h SER 307 Cb 0.14 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2x54 h SER 307 CO -0.16 0.19 -0.75 0.71 -0.87 0.00 0.00 176.83 175.94 2x54 h THR 308 N 0.31 1.43 -0.31 2.95 1.35 -1.91 -3.17 112.91 113.56 2x54 h THR 308 Ca 0.12 -2.28 -0.09 0.00 -0.55 0.00 0.00 66.41 63.61 2x54 h THR 308 Cb 0.11 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 2x54 h THR 308 CO -0.03 0.67 -0.15 0.40 -0.25 0.00 0.00 175.52 176.17 2x54 h ILE 309 N 0.18 1.29 -0.77 6.82 2.04 -1.34 -3.31 117.51 122.41 2x54 h ILE 309 Ca -0.03 -1.25 0.18 0.00 1.00 0.00 0.00 64.86 64.76 2x54 h ILE 309 Cb 1.33 1.44 -0.13 0.00 -0.74 0.00 0.00 36.82 38.72 2x54 h ILE 309 CO 0.12 0.40 0.06 0.50 0.00 0.00 0.00 178.15 179.23 2x54 h LYS 310 N 0.41 0.13 -0.49 2.37 3.64 -1.28 -2.00 116.57 119.36 2x54 h LYS 310 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2x54 h LYS 310 Cb 0.67 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2x54 h LYS 310 CO 0.05 0.09 0.26 -0.24 -2.27 0.00 0.00 179.45 177.33 2x54 h VAL 311 N 0.14 1.16 0.00 2.00 3.04 -1.64 -1.23 116.25 119.72 2x54 h VAL 311 Ca 0.44 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2x54 h VAL 311 Cb 0.79 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2x54 h VAL 311 CO -0.65 0.18 0.00 1.21 -1.01 0.00 0.00 177.57 177.30 2x54 n GLU 312 N -4.40 0.51 0.00 4.17 4.07 -0.76 -3.44 120.64 120.79 2x54 n GLU 312 Ca 0.04 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2x54 n GLU 312 Cb 0.11 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2x54 n GLU 312 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2x54 n ILE 313 N -1.23 0.29 -2.58 6.31 3.06 -0.83 -4.75 119.36 119.63 2x54 n ILE 313 Ca 0.15 -0.42 -0.37 0.00 -2.50 0.00 0.00 62.75 59.61 2x54 n ILE 313 Cb 0.21 1.06 -0.05 0.00 0.54 0.00 0.00 39.64 41.41 2x54 n ILE 313 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2x54 s SER 314 N -0.29 6.97 0.53 9.51 0.01 -0.52 -4.65 113.70 125.25 2x54 s SER 314 Ca 0.00 2.04 -0.18 0.00 1.31 0.00 0.00 55.95 59.12 2x54 s SER 314 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2x54 s SER 314 CO 0.00 -0.34 1.04 -2.16 0.41 0.00 0.00 173.24 172.19 2x54 s PRO 315 N -2.21 3.62 0.29 12.44 0.04 -1.26 -3.12 135.00 144.80 2x54 s PRO 315 Ca 0.54 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 2x54 s PRO 315 Cb -0.23 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2x54 s PRO 315 CO 0.29 -0.57 0.49 -1.54 0.04 0.00 0.00 177.00 175.72 2x54 s SER 316 N -2.44 6.36 -0.68 6.66 1.04 -1.26 -4.80 113.70 118.58 2x54 s SER 316 Ca 0.65 0.47 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 2x54 s SER 316 Cb -0.15 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 2x54 s SER 316 CO 0.28 -0.19 1.96 0.42 0.98 0.00 0.00 173.24 176.70 2x54 s THR 317 N -2.12 3.33 -0.39 2.02 -4.23 -1.25 -4.95 115.64 108.05 2x54 s THR 317 Ca 0.40 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.65 2x54 s THR 317 Cb -0.10 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.92 2x54 s THR 317 CO 0.32 -0.79 1.36 -0.63 -0.54 0.00 0.00 174.62 174.34 2x54 s ILE 318 N 9.90 3.99 -0.07 2.99 1.09 -1.26 -3.51 121.20 134.32 2x54 s ILE 318 Ca 0.72 1.04 0.03 0.00 -1.10 0.00 0.00 60.65 61.35 2x54 s ILE 318 Cb -0.12 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.06 2x54 s ILE 318 CO 0.15 -0.71 -0.18 -0.69 -0.10 0.00 0.00 174.94 173.41 2x54 s VAL 319 N 5.07 1.55 0.46 2.92 1.01 0.26 -4.96 120.40 126.72 2x54 s VAL 319 Ca 0.59 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2x54 s VAL 319 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 2x54 s VAL 319 CO 0.30 0.45 0.94 -0.89 0.00 0.00 0.00 175.10 175.90 2x54 s THR 320 N 0.38 4.50 -0.14 3.92 2.01 -1.26 0.68 115.64 125.72 2x54 s THR 320 Ca -0.13 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.13 2x54 s THR 320 Cb -0.16 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.74 2x54 s THR 320 CO 0.05 -0.48 0.01 -0.60 -0.69 0.00 0.00 174.62 172.91 2x54 s ARG 321 N -3.60 0.74 -0.20 4.92 3.52 0.73 -2.04 118.95 123.02 2x54 s ARG 321 Ca 0.59 -0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.95 2x54 s ARG 321 Cb -0.10 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2x54 s ARG 321 CO 0.22 -0.47 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.67 2x54 s LEU 322 N 1.88 2.86 -0.22 -0.88 1.43 0.33 -1.94 118.68 122.13 2x54 s LEU 322 Ca 0.02 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2x54 s LEU 322 Cb -0.15 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2x54 s LEU 322 CO -0.07 0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 175.82 2x54 s ILE 323 N 1.26 2.96 0.15 -0.59 1.09 -1.02 0.37 121.20 125.43 2x54 s ILE 323 Ca 0.03 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.72 2x54 s ILE 323 Cb -0.14 -2.39 -0.00 0.00 -1.06 0.00 0.00 42.46 38.86 2x54 s ILE 323 CO -0.02 0.36 0.28 0.72 -0.10 0.00 0.00 174.94 176.17 2x54 s PHE 324 N 1.39 0.31 0.48 3.97 -0.12 -0.97 -0.35 117.98 122.68 2x54 s PHE 324 Ca 0.04 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 56.01 2x54 s PHE 324 Cb -0.15 -0.03 -0.07 0.00 -0.63 0.00 0.00 43.02 42.15 2x54 s PHE 324 CO -0.05 -0.69 1.22 -0.80 -0.05 0.00 0.00 175.22 174.84 2x54 s ASN 325 N -2.94 5.94 0.03 1.98 0.01 0.25 -0.78 114.94 119.43 2x54 s ASN 325 Ca 0.14 2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 54.41 2x54 s ASN 325 Cb 0.03 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 2x54 s ASN 325 CO -0.03 -1.09 1.61 -1.58 -1.51 0.00 0.00 177.10 174.50 2x54 s GLN 326 N -2.75 4.21 -0.32 -0.60 2.00 0.12 -4.85 119.66 117.48 2x54 s GLN 326 Ca 0.66 2.24 -0.21 0.00 -2.00 0.00 0.00 55.36 56.04 2x54 s GLN 326 Cb -0.32 -3.67 -0.00 0.00 0.80 0.00 0.00 33.01 29.82 2x54 s GLN 326 CO 0.38 -0.73 0.68 1.21 -0.50 0.00 0.00 175.29 176.34 2x54 s ASN 327 N 2.51 6.53 0.32 6.67 3.84 -1.26 -4.95 114.94 128.60 2x54 s ASN 327 Ca 0.72 0.45 0.26 0.00 0.21 0.00 0.00 52.86 54.50 2x54 s ASN 327 Cb -0.37 -2.35 1.03 0.00 -0.55 0.00 0.00 41.25 39.00 2x54 s ASN 327 CO 0.31 -0.55 1.78 1.05 -2.79 0.00 0.00 177.10 176.90 2x54 h GLU 328 N 8.22 0.00 -0.11 0.43 4.11 -1.99 -2.59 114.58 122.65 2x54 h GLU 328 Ca -0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.98 2x54 h GLU 328 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2x54 h GLU 328 CO 0.84 0.00 -0.73 -0.07 0.07 0.00 0.00 179.01 179.11 2x54 h LEU 329 N 0.00 0.64 -6.40 3.06 3.38 -2.03 -3.39 115.31 110.56 2x54 h LEU 329 Ca 0.00 -0.41 -0.51 0.00 0.09 0.00 0.00 57.88 57.04 2x54 h LEU 329 Cb 0.46 -0.19 -0.36 0.00 0.09 0.00 0.00 40.66 40.66 2x54 h LEU 329 CO 0.00 1.17 -0.83 -0.22 0.09 0.00 0.00 178.44 178.65 2x54 s LEU 330 N -8.13 0.72 0.33 1.67 0.20 -1.13 -5.15 118.68 107.19 2x54 s LEU 330 Ca -0.07 -2.24 -0.28 0.00 0.69 0.00 0.00 54.13 52.23 2x54 s LEU 330 Cb 0.10 -0.07 -0.09 0.00 -0.43 0.00 0.00 46.19 45.70 2x54 s LEU 330 CO 0.86 -0.25 1.17 -2.84 -0.29 0.00 0.00 176.35 175.00 2x54 s PRO 331 N 0.89 4.38 -0.06 0.98 0.02 -0.99 -4.48 135.00 135.74 2x54 s PRO 331 Ca 0.22 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.20 2x54 s PRO 331 Cb -0.13 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 2x54 s PRO 331 CO -0.05 -0.06 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.81 2x54 s LEU 332 N -1.90 2.05 0.32 -5.54 1.43 -1.26 -5.06 118.68 108.72 2x54 s LEU 332 Ca 0.50 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2x54 s LEU 332 Cb -0.33 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2x54 s LEU 332 CO 0.42 0.23 -0.07 -0.31 0.23 0.00 0.00 176.35 176.86 2x54 s TYR 333 N -0.11 2.18 0.31 0.29 2.02 -1.26 -5.02 117.35 115.76 2x54 s TYR 333 Ca -0.04 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 2x54 s TYR 333 Cb -0.14 -1.28 -0.12 0.00 -0.40 0.00 0.00 41.96 40.02 2x54 s TYR 333 CO 0.04 0.41 1.42 0.28 -1.57 0.00 0.00 175.55 176.13 2x54 n VAL 334 N -0.70 1.53 -2.80 0.71 0.31 -1.26 -3.82 118.33 112.29 2x54 n VAL 334 Ca -0.05 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.79 2x54 n VAL 334 Cb 0.64 -1.69 0.05 0.00 -0.91 0.00 0.00 33.84 31.92 2x54 n VAL 334 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2x54 n ASN 335 N 1.36 -5.52 -3.87 4.52 3.02 -0.53 -5.02 115.26 109.23 2x54 n ASN 335 Ca 0.07 -0.51 -0.21 0.00 -0.03 0.00 0.00 54.58 53.90 2x54 n ASN 335 Cb 0.35 -4.03 -0.17 0.00 -0.61 0.00 0.00 39.78 35.33 2x54 n ASN 335 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2x54 s ASP 336 N -3.26 1.21 -0.30 6.41 -1.08 -1.25 -4.92 116.67 113.48 2x54 s ASP 336 Ca 0.33 -0.13 -0.29 0.00 -0.52 0.00 0.00 52.55 51.93 2x54 s ASP 336 Cb -0.04 -0.48 -0.00 0.00 -1.46 0.00 0.00 42.92 40.93 2x54 s ASP 336 CO 0.55 -0.09 1.39 -0.76 0.52 0.00 0.00 175.17 176.78 2x54 s LEU 337 N 1.23 3.83 0.09 -1.34 1.43 -1.26 -2.91 118.68 119.74 2x54 s LEU 337 Ca -0.06 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 2x54 s LEU 337 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2x54 s LEU 337 CO -0.02 -1.18 -0.14 0.68 0.23 0.00 0.00 176.35 175.92 2x54 s VAL 338 N 4.75 1.17 -0.23 -1.59 -7.23 -0.77 -1.51 120.40 114.99 2x54 s VAL 338 Ca 0.60 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2x54 s VAL 338 Cb -0.18 -1.23 0.05 0.00 0.56 0.00 0.00 36.38 35.58 2x54 s VAL 338 CO 0.26 -0.30 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.82 2x54 s ASP 339 N -2.00 3.91 -0.13 4.85 1.01 0.14 -1.83 116.67 122.63 2x54 s ASP 339 Ca 0.02 -1.13 -0.03 0.00 0.71 0.00 0.00 52.55 52.11 2x54 s ASP 339 Cb -0.08 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.40 2x54 s ASP 339 CO 0.02 -0.15 -0.00 -0.63 0.21 0.00 0.00 175.17 174.62 2x54 s ILE 340 N 1.24 4.25 -0.39 0.77 1.01 0.48 -0.33 121.20 128.23 2x54 s ILE 340 Ca -0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 2x54 s ILE 340 Cb -0.18 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2x54 s ILE 340 CO -0.07 0.54 0.29 0.26 0.00 0.00 0.00 174.94 175.96 2x54 s TRP 341 N -0.24 3.23 -0.16 3.97 0.52 -0.17 -0.45 118.94 125.64 2x54 s TRP 341 Ca 0.06 -0.45 -0.02 0.00 0.02 0.00 0.00 56.10 55.70 2x54 s TRP 341 Cb -0.12 -2.58 0.05 0.00 -1.15 0.00 0.00 33.47 29.67 2x54 s TRP 341 CO 0.02 -0.53 0.01 -0.47 0.02 0.00 0.00 176.95 176.01 2x54 s TYR 342 N 1.73 1.03 -1.51 -1.98 5.04 -0.00 -1.32 117.35 120.34 2x54 s TYR 342 Ca 0.06 -0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 53.92 2x54 s TYR 342 Cb -0.18 -1.01 0.01 0.00 0.35 0.00 0.00 41.96 41.13 2x54 s TYR 342 CO 0.10 -0.54 0.76 0.39 -1.34 0.00 0.00 175.55 174.92 2x54 n GLU 343 N 5.05 -5.67 -0.20 4.97 -0.58 -1.26 -2.61 120.64 120.34 2x54 n GLU 343 Ca -0.09 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2x54 n GLU 343 Cb 0.48 -5.79 0.00 0.00 -0.57 0.00 0.00 31.44 25.56 2x54 n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x54 n GLY 344 N -1.65 0.99 3.57 0.62 0.00 -1.26 -5.06 105.19 102.40 2x54 n GLY 344 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2x54 n GLY 344 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 s LYS 345 N -0.58 2.71 -0.16 1.61 1.02 -1.07 -5.12 119.74 118.15 2x54 s LYS 345 Ca 0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 2x54 s LYS 345 Cb 0.00 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 2x54 s LYS 345 CO 0.00 0.66 0.23 -1.17 -0.92 0.00 0.00 175.35 174.15 2x54 s LEU 346 N -0.82 4.27 -0.08 3.17 2.96 -1.26 -0.82 118.68 126.10 2x54 s LEU 346 Ca 0.12 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2x54 s LEU 346 Cb -0.11 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2x54 s LEU 346 CO 0.02 0.18 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.74 2x54 s TYR 347 N 0.11 1.96 -0.21 5.38 2.02 0.40 -4.99 117.35 122.01 2x54 s TYR 347 Ca 0.14 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.06 2x54 s TYR 347 Cb -0.12 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2x54 s TYR 347 CO 0.03 -0.32 -0.06 -1.12 -1.57 0.00 0.00 175.55 172.51 2x54 s SER 348 N 0.45 4.19 0.00 2.29 0.01 -1.26 -0.39 113.70 118.99 2x54 s SER 348 Ca -0.15 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2x54 s SER 348 Cb -0.16 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2x54 s SER 348 CO 0.06 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2x54 n GLY 349 N 4.72 2.13 3.15 3.44 0.00 -0.76 -2.59 105.19 115.27 2x54 n GLY 349 Ca -0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2x54 n GLY 349 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x54 s TYR 350 N -0.34 0.84 -0.48 1.61 -0.85 -0.53 -1.84 117.35 115.77 2x54 s TYR 350 Ca 0.00 -1.23 -0.23 0.00 -0.52 0.00 0.00 57.07 55.09 2x54 s TYR 350 Cb 0.00 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 41.90 2x54 s TYR 350 CO 0.00 -0.51 0.83 0.42 -1.52 0.00 0.00 175.55 174.77 2x54 s ILE 351 N -4.04 4.58 -0.04 -3.49 -1.09 -1.15 -0.75 121.20 115.22 2x54 s ILE 351 Ca 0.23 0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.98 2x54 s ILE 351 Cb 0.07 -4.39 -0.28 0.00 -1.58 0.00 0.00 42.46 36.28 2x54 s ILE 351 CO 0.01 -0.83 0.70 0.00 -1.23 0.00 0.00 174.94 173.59 2x54 h ALA 352 N 9.07 0.28 -2.58 9.38 0.00 -0.87 -1.40 119.26 133.14 2x54 h ALA 352 Ca -0.25 -1.19 -0.16 0.00 0.00 0.00 0.00 54.91 53.31 2x54 h ALA 352 Cb 1.08 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.17 2x54 h ALA 352 CO 1.00 1.15 -0.49 0.34 0.00 0.00 0.00 179.25 181.25 2x54 s ASP 353 N -7.06 0.14 -0.15 0.00 -1.08 -1.21 -4.66 116.67 102.65 2x54 s ASP 353 Ca -0.14 -1.14 -0.05 0.00 -0.52 0.00 0.00 52.55 50.70 2x54 s ASP 353 Cb 0.06 0.39 0.07 0.00 -1.46 0.00 0.00 42.92 41.99 2x54 s ASP 353 CO 0.84 -0.86 0.30 -0.60 0.52 0.00 0.00 175.17 175.37 2x54 s ARG 354 N -4.06 0.19 -0.31 4.34 3.52 -1.26 -1.53 118.95 119.84 2x54 s ARG 354 Ca 0.27 0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 56.55 2x54 s ARG 354 Cb 0.05 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.43 2x54 s ARG 354 CO 0.05 -0.29 0.23 0.54 -0.81 0.00 0.00 175.30 175.03 2x54 s VAL 355 N 2.46 5.28 -0.38 7.11 0.11 0.56 -1.47 120.40 134.07 2x54 s VAL 355 Ca 0.01 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 2x54 s VAL 355 Cb -0.12 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2x54 s VAL 355 CO -0.10 0.11 0.37 -0.54 -3.33 0.00 0.00 175.10 171.62 2x54 s LYS 356 N 1.78 3.28 0.46 1.54 -0.14 0.08 -2.43 119.74 124.30 2x54 s LYS 356 Ca 0.07 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 2x54 s LYS 356 Cb -0.17 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 32.06 2x54 s LYS 356 CO 0.11 -0.68 0.06 0.95 -0.76 0.00 0.00 175.35 175.02 2x54 s THR 357 N 1.99 0.99 0.22 2.17 -4.23 -0.95 -1.88 115.64 113.94 2x54 s THR 357 Ca 0.10 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.76 2x54 s THR 357 Cb -0.17 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.42 2x54 s THR 357 CO 0.12 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.56 2x54 h GLU 358 N 1.58 0.00 0.00 3.99 5.08 -1.98 -3.38 114.58 119.87 2x54 h GLU 358 Ca -0.40 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.68 2x54 h GLU 358 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2x54 h GLU 358 CO 0.67 0.48 -1.89 1.19 -1.00 0.00 0.00 179.01 178.46 2x54 n PHE 359 N -3.67 0.00 -4.54 4.33 3.72 -1.26 -5.09 117.46 110.95 2x54 n PHE 359 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 2x54 n PHE 359 Cb 0.55 -0.76 -0.10 0.00 -0.94 0.00 0.00 39.48 38.23 2x54 n PHE 359 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2x54 s ASN 360 N -6.81 3.07 -0.23 4.37 -0.87 -1.26 -5.13 114.94 108.08 2x54 s ASN 360 Ca -0.33 -1.42 -0.00 0.00 -1.57 0.00 0.00 52.86 49.54 2x54 s ASN 360 Cb 0.10 -0.10 0.06 0.00 -0.02 0.00 0.00 41.25 41.30 2x54 s ASN 360 CO 0.43 -0.60 -0.02 -0.62 -2.57 0.00 0.00 177.10 173.72 2x54 s ASP 361 N -3.61 3.63 0.13 -1.22 3.68 -1.26 -2.24 116.67 115.78 2x54 s ASP 361 Ca 0.33 -1.13 0.09 0.00 2.13 0.00 0.00 52.55 53.97 2x54 s ASP 361 Cb 0.08 -1.02 -0.04 0.00 -1.45 0.00 0.00 42.92 40.49 2x54 s ASP 361 CO 0.15 -0.27 -0.22 -0.13 0.13 0.00 0.00 175.17 174.83 2x54 s ARG 362 N 1.52 1.25 0.26 4.34 0.52 -1.02 0.14 118.95 125.95 2x54 s ARG 362 Ca -0.03 -1.28 0.10 0.00 -0.52 0.00 0.00 55.73 54.00 2x54 s ARG 362 Cb -0.18 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 2x54 s ARG 362 CO -0.08 0.35 -0.03 -0.51 0.02 0.00 0.00 175.30 175.06 2x54 s LEU 363 N -2.12 3.13 -0.33 2.53 2.01 0.04 -0.32 118.68 123.62 2x54 s LEU 363 Ca 0.11 -0.67 0.04 0.00 0.01 0.00 0.00 54.13 53.61 2x54 s LEU 363 Cb -0.09 -1.66 0.10 0.00 0.01 0.00 0.00 46.19 44.54 2x54 s LEU 363 CO 0.05 0.01 0.04 -0.63 1.01 0.00 0.00 176.35 176.83 2x54 s ILE 364 N -2.29 2.16 -0.03 -0.59 1.01 -0.58 -2.30 121.20 118.58 2x54 s ILE 364 Ca 0.31 -2.19 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 2x54 s ILE 364 Cb -0.06 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2x54 s ILE 364 CO 0.19 -0.54 0.62 0.12 0.00 0.00 0.00 174.94 175.33 2x54 s PHE 365 N 0.98 3.65 -0.16 3.97 5.36 0.16 -0.10 117.98 131.83 2x54 s PHE 365 Ca 0.09 1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 57.26 2x54 s PHE 365 Cb -0.19 -2.67 0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2x54 s PHE 365 CO -0.09 0.27 -0.07 0.08 -1.46 0.00 0.00 175.22 173.95 2x54 s VAL 366 N 0.13 1.20 0.27 3.12 1.01 0.07 -0.52 120.40 125.69 2x54 s VAL 366 Ca 0.33 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2x54 s VAL 366 Cb -0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 2x54 s VAL 366 CO 0.17 0.19 1.34 -0.70 0.00 0.00 0.00 175.10 176.10 2x54 s GLU 367 N 1.60 4.35 0.00 2.72 2.12 -0.87 -1.46 118.70 127.17 2x54 s GLU 367 Ca 0.01 2.19 0.21 0.00 0.36 0.00 0.00 54.97 57.74 2x54 s GLU 367 Cb -0.15 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.17 2x54 s GLU 367 CO -0.08 -0.26 1.07 0.43 -0.54 0.00 0.00 175.26 175.88 2x54 n SER 368 N 1.72 2.18 0.00 -1.70 7.64 -1.07 -4.66 113.62 117.74 2x54 n SER 368 Ca 0.03 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.32 2x54 n SER 368 Cb 0.42 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2x54 n SER 368 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x54 n GLY 369 N 1.30 0.05 3.90 0.23 0.00 -1.26 -4.98 105.19 104.43 2x54 n GLY 369 Ca 0.10 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2x54 n GLY 369 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x54 n ASP 370 N 2.32 -3.57 0.06 1.61 2.03 -1.26 -4.96 116.55 112.76 2x54 n ASP 370 Ca 0.00 -0.82 -0.12 0.00 0.52 0.00 0.00 54.79 54.37 2x54 n ASP 370 Cb 0.00 -3.78 -0.08 0.00 -0.72 0.00 0.00 41.12 36.54 2x54 n ASP 370 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2x54 h LYS 371 N -1.98 -0.20 -0.01 -0.67 3.64 -1.97 -3.54 116.57 111.85 2x54 h LYS 371 Ca -0.59 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2x54 h LYS 371 Cb 1.37 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2x54 h LYS 371 CO 0.65 0.24 0.00 -0.35 -2.27 0.00 0.00 179.45 177.73