#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjw h LEU 2 N 0.00 0.38 -2.12 1.04 3.38 -1.94 -1.94 115.31 114.12 1mjw h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjw h LEU 2 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1mjw h LEU 2 CO 0.00 0.25 0.29 -0.07 0.09 0.00 0.00 178.44 178.99 1mjw h LEU 3 N 0.43 0.00 -2.43 1.67 3.38 -1.93 -2.70 115.31 113.73 1mjw h LEU 3 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1mjw h LEU 3 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1mjw h LEU 3 CO -0.06 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.06 1mjw n ASN 4 N -2.90 3.55 -4.77 -0.43 3.02 -0.73 -4.94 115.26 108.06 1mjw n ASN 4 Ca -0.02 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.14 1mjw n ASN 4 Cb 0.34 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1mjw n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mjw s VAL 5 N -1.35 2.71 0.57 2.41 1.01 -1.02 -5.00 120.40 119.73 1mjw s VAL 5 Ca 0.40 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 1mjw s VAL 5 Cb 0.23 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1mjw s VAL 5 CO 0.31 0.15 1.24 -2.84 0.00 0.00 0.00 175.10 173.95 1mjw s PRO 6 N -1.93 3.09 0.53 2.72 0.02 -1.26 -4.74 135.00 133.43 1mjw s PRO 6 Ca 0.51 1.91 0.24 0.00 0.02 0.00 0.00 61.00 63.68 1mjw s PRO 6 Cb -0.39 -2.06 1.38 0.00 0.02 0.00 0.00 34.50 33.45 1mjw s PRO 6 CO 0.51 -1.13 2.02 0.00 -0.33 0.00 0.00 177.00 178.07 1mjw h ALA 7 N 1.15 2.43 0.00 -1.55 0.00 -1.90 -3.42 119.26 115.97 1mjw h ALA 7 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mjw h ALA 7 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1mjw h ALA 7 CO 0.56 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mjw n GLY 8 N -1.63 1.25 0.19 0.00 0.00 -1.26 -1.34 105.19 102.40 1mjw n GLY 8 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1mjw n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjw h LYS 9 N 0.00 0.10 -0.40 1.61 1.57 -1.77 -3.42 116.57 114.26 1mjw h LYS 9 Ca 0.00 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 1mjw h LYS 9 Cb 0.00 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1mjw h LYS 9 CO 0.00 0.49 -0.47 -3.47 -0.57 0.00 0.00 179.45 175.43 1mjw n ASP 10 N -4.04 -3.06 -4.76 0.86 2.03 -0.83 -5.04 116.55 101.71 1mjw n ASP 10 Ca -0.02 -3.07 -0.39 0.00 0.52 0.00 0.00 54.79 51.83 1mjw n ASP 10 Cb 0.45 1.76 0.01 0.00 -0.72 0.00 0.00 41.12 42.63 1mjw n ASP 10 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1mjw s LEU 11 N -0.03 4.05 0.00 -2.67 2.96 -1.23 -0.90 118.68 120.86 1mjw s LEU 11 Ca 0.31 2.67 0.18 0.00 -0.22 0.00 0.00 54.13 57.06 1mjw s LEU 11 Cb 0.14 -4.09 0.50 0.00 0.50 0.00 0.00 46.19 43.24 1mjw s LEU 11 CO -0.16 -1.14 1.41 -0.81 -1.32 0.00 0.00 176.35 174.33 1mjw n PRO 12 N -0.40 2.24 0.10 0.98 -0.04 -1.26 -4.83 135.00 131.80 1mjw n PRO 12 Ca 0.07 -1.92 -0.03 0.00 -0.04 0.00 0.00 63.50 61.58 1mjw n PRO 12 Cb 0.45 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1mjw n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mjw h GLU 13 N 3.23 0.00 -3.06 0.54 4.39 -1.80 -3.41 114.58 114.46 1mjw h GLU 13 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1mjw h GLU 13 Cb 0.73 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.98 1mjw h GLU 13 CO 0.00 0.76 -0.77 0.34 -1.16 0.00 0.00 179.01 178.18 1mjw s ASP 14 N -6.65 3.39 0.22 1.42 -1.08 -0.08 -4.43 116.67 109.46 1mjw s ASP 14 Ca 0.01 -1.20 0.07 0.00 -0.52 0.00 0.00 52.55 50.91 1mjw s ASP 14 Cb 0.10 -0.46 -0.05 0.00 -1.46 0.00 0.00 42.92 41.05 1mjw s ASP 14 CO 0.78 -0.41 -0.12 0.27 0.52 0.00 0.00 175.17 176.21 1mjw s ILE 15 N 1.99 1.70 -0.09 4.11 -4.36 -0.99 -1.96 121.20 121.60 1mjw s ILE 15 Ca 0.07 -2.19 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 1mjw s ILE 15 Cb -0.16 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 1mjw s ILE 15 CO -0.27 -0.53 -0.05 -0.31 0.24 0.00 0.00 174.94 174.01 1mjw s TYR 16 N -2.99 2.99 -0.15 1.37 2.02 -0.45 -1.37 117.35 118.77 1mjw s TYR 16 Ca 0.24 -0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.89 1mjw s TYR 16 Cb 0.00 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1mjw s TYR 16 CO 0.08 0.27 -0.06 0.08 -1.57 0.00 0.00 175.55 174.35 1mjw s VAL 17 N -0.57 3.67 -0.25 0.71 1.01 0.12 -4.46 120.40 120.63 1mjw s VAL 17 Ca 0.09 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 1mjw s VAL 17 Cb -0.12 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1mjw s VAL 17 CO 0.02 0.50 0.65 -0.69 0.00 0.00 0.00 175.10 175.58 1mjw s VAL 18 N 0.42 4.97 -0.08 2.92 1.01 0.43 -1.39 120.40 128.68 1mjw s VAL 18 Ca -0.05 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1mjw s VAL 18 Cb -0.15 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1mjw s VAL 18 CO 0.03 0.02 0.96 -0.63 0.00 0.00 0.00 175.10 175.48 1mjw s ILE 19 N 2.54 4.84 -0.24 2.22 -1.09 0.09 -1.52 121.20 128.04 1mjw s ILE 19 Ca 0.27 1.97 0.04 0.00 -2.23 0.00 0.00 60.65 60.70 1mjw s ILE 19 Cb -0.15 -4.28 -0.19 0.00 -1.58 0.00 0.00 42.46 36.26 1mjw s ILE 19 CO 0.08 0.07 -0.13 -0.62 -1.23 0.00 0.00 174.94 173.11 1mjw n GLU 20 N 4.61 0.66 -4.14 2.79 1.02 0.91 0.52 120.64 127.03 1mjw n GLU 20 Ca 0.07 0.14 -0.23 0.00 -0.02 0.00 0.00 57.16 57.12 1mjw n GLU 20 Cb 0.50 -1.54 -0.17 0.00 -0.02 0.00 0.00 31.44 30.21 1mjw n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjw s ILE 21 N -2.52 0.76 0.66 -3.67 1.01 -0.64 -4.47 121.20 112.34 1mjw s ILE 21 Ca -0.30 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 1mjw s ILE 21 Cb 0.08 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 1mjw s ILE 21 CO 0.65 0.29 1.06 -2.16 0.00 0.00 0.00 174.94 174.78 1mjw s PRO 22 N 1.21 3.00 0.36 2.79 0.05 -1.26 -0.40 135.00 140.75 1mjw s PRO 22 Ca -0.06 1.10 -0.27 0.00 0.05 0.00 0.00 61.00 61.82 1mjw s PRO 22 Cb -0.14 -1.99 -0.09 0.00 0.05 0.00 0.00 34.50 32.33 1mjw s PRO 22 CO -0.02 -1.06 1.17 0.00 0.05 0.00 0.00 177.00 177.14 1mjw s ALA 23 N -2.77 3.27 -1.40 8.56 0.00 -1.26 -3.66 121.76 124.50 1mjw s ALA 23 Ca 0.61 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 1mjw s ALA 23 Cb -0.15 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1mjw s ALA 23 CO 0.47 -0.44 0.80 -1.71 0.00 0.00 0.00 175.76 174.89 1mjw n ASN 24 N 0.47 -2.63 -4.97 0.00 5.15 -0.66 -4.73 115.26 107.89 1mjw n ASN 24 Ca 0.02 -0.81 -0.19 0.00 -0.60 0.00 0.00 54.58 53.00 1mjw n ASN 24 Cb 0.45 -3.94 0.00 0.00 -0.53 0.00 0.00 39.78 35.76 1mjw n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mjw s ALA 25 N -3.53 4.40 0.70 5.20 0.00 -1.24 -5.04 121.76 122.25 1mjw s ALA 25 Ca 0.28 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1mjw s ALA 25 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1mjw s ALA 25 CO 0.82 -0.33 0.71 -0.25 0.00 0.00 0.00 175.76 176.72 1mjw n ASP 26 N -1.80 -0.47 -3.29 0.00 8.00 -1.26 -4.78 116.55 112.97 1mjw n ASP 26 Ca 0.07 0.64 -0.35 0.00 0.71 0.00 0.00 54.79 55.86 1mjw n ASP 26 Cb 0.60 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 1mjw n ASP 26 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1mjw n PRO 27 N -1.09 3.35 -3.99 -0.24 -0.04 -1.26 -4.82 135.00 126.91 1mjw n PRO 27 Ca 0.11 -2.04 -0.35 0.00 -0.04 0.00 0.00 63.50 61.18 1mjw n PRO 27 Cb 0.49 -2.73 -0.12 0.00 -0.04 0.00 0.00 33.50 31.10 1mjw n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mjw s ILE 28 N 2.45 4.04 -0.65 0.52 1.01 -1.26 -1.30 121.20 126.00 1mjw s ILE 28 Ca 0.63 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.80 1mjw s ILE 28 Cb 0.16 -2.84 0.09 0.00 0.01 0.00 0.00 42.46 39.88 1mjw s ILE 28 CO -0.05 0.41 0.86 -0.75 0.00 0.00 0.00 174.94 175.41 1mjw s LYS 29 N 1.13 3.12 0.47 2.79 2.36 -0.11 -4.97 119.74 124.54 1mjw s LYS 29 Ca 0.03 -1.13 -0.12 0.00 -2.55 0.00 0.00 55.97 52.20 1mjw s LYS 29 Cb -0.14 -4.30 -0.06 0.00 -1.05 0.00 0.00 37.83 32.28 1mjw s LYS 29 CO 0.02 -1.69 0.86 0.71 1.55 0.00 0.00 175.35 176.80 1mjw s TYR 30 N 3.32 3.49 0.00 4.03 2.02 -1.26 0.12 117.35 129.08 1mjw s TYR 30 Ca 0.18 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 57.94 1mjw s TYR 30 Cb -0.19 -2.56 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1mjw s TYR 30 CO 0.07 -0.27 0.24 -1.83 -1.57 0.00 0.00 175.55 172.19 1mjw s GLU 31 N -4.17 0.63 -0.16 -0.62 -1.05 -0.22 -4.74 118.70 108.38 1mjw s GLU 31 Ca 0.53 -0.35 -0.22 0.00 -0.15 0.00 0.00 54.97 54.78 1mjw s GLU 31 Cb -0.10 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 1mjw s GLU 31 CO 0.35 -0.17 0.68 0.42 0.95 0.00 0.00 175.26 177.49 1mjw s ILE 32 N -1.64 5.01 0.06 1.83 -1.09 -1.26 -0.51 121.20 123.59 1mjw s ILE 32 Ca -0.12 1.33 -0.31 0.00 -2.23 0.00 0.00 60.65 59.32 1mjw s ILE 32 Cb -0.05 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1mjw s ILE 32 CO 0.02 0.14 1.37 -0.62 -1.23 0.00 0.00 174.94 174.62 1mjw s ASP 33 N 1.06 6.87 0.39 3.58 2.15 -0.71 -4.94 116.67 125.07 1mjw s ASP 33 Ca 0.33 2.20 0.21 0.00 0.43 0.00 0.00 52.55 55.71 1mjw s ASP 33 Cb -0.16 -2.57 0.31 0.00 -0.30 0.00 0.00 42.92 40.20 1mjw s ASP 33 CO 0.13 -0.66 1.58 0.11 -0.17 0.00 0.00 175.17 176.15 1mjw h LYS 34 N 7.26 0.00 0.31 4.34 1.79 -1.95 0.33 116.57 128.66 1mjw h LYS 34 Ca -0.40 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.05 1mjw h LYS 34 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1mjw h LYS 34 CO 0.87 0.18 -0.15 0.93 -1.08 0.00 0.00 179.45 180.20 1mjw h GLU 35 N 0.00 -0.40 0.00 3.15 4.39 -1.99 -3.40 114.58 116.33 1mjw h GLU 35 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1mjw h GLU 35 Cb 1.10 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1mjw h GLU 35 CO 0.02 -0.14 -1.20 -1.13 -1.16 0.00 0.00 179.01 175.40 1mjw n SER 36 N -5.06 0.64 0.00 1.42 3.41 -1.13 -4.95 113.62 107.95 1mjw n SER 36 Ca -0.07 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1mjw n SER 36 Cb 0.23 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1mjw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjw n GLY 37 N 1.22 1.31 3.86 5.00 0.00 0.12 -4.96 105.19 111.74 1mjw n GLY 37 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1mjw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjw s ALA 38 N -3.75 3.28 -0.18 4.61 0.00 -1.25 -4.65 121.76 119.81 1mjw s ALA 38 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1mjw s ALA 38 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1mjw s ALA 38 CO 0.00 0.03 1.26 -1.17 0.00 0.00 0.00 175.76 175.88 1mjw s LEU 39 N -3.69 4.14 0.03 0.00 2.96 -1.26 -1.74 118.68 119.13 1mjw s LEU 39 Ca 0.54 1.63 0.02 0.00 -0.22 0.00 0.00 54.13 56.09 1mjw s LEU 39 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1mjw s LEU 39 CO 0.28 -0.80 0.04 -0.36 -1.32 0.00 0.00 176.35 174.19 1mjw s PHE 40 N 3.60 3.15 -0.29 5.38 0.40 0.33 -4.95 117.98 125.60 1mjw s PHE 40 Ca 0.55 0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 56.69 1mjw s PHE 40 Cb -0.21 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1mjw s PHE 40 CO 0.15 0.50 1.24 0.08 0.70 0.00 0.00 175.22 177.90 1mjw s VAL 41 N -1.22 4.25 -0.07 -0.44 1.01 -1.26 -1.05 120.40 121.61 1mjw s VAL 41 Ca 0.24 1.43 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 1mjw s VAL 41 Cb -0.12 -4.21 -0.29 0.00 0.00 0.00 0.00 36.38 31.76 1mjw s VAL 41 CO 0.15 -0.45 0.76 -1.13 0.00 0.00 0.00 175.10 174.43 1mjw h ASN 42 N 8.88 0.41 -5.40 3.32 -1.24 -0.62 -3.48 115.58 117.45 1mjw h ASN 42 Ca -0.25 -0.91 0.20 0.00 0.71 0.00 0.00 56.30 56.05 1mjw h ASN 42 Cb 1.09 -0.13 -0.08 0.00 0.73 0.00 0.00 38.32 39.92 1mjw h ASN 42 CO 1.03 1.45 0.54 0.00 -1.29 0.00 0.00 177.43 179.16 1mjw s ARG 43 N -2.43 1.08 -0.27 6.67 1.70 -1.14 -5.02 118.95 119.53 1mjw s ARG 43 Ca -0.16 -0.60 -0.12 0.00 -0.47 0.00 0.00 55.73 54.38 1mjw s ARG 43 Cb 0.02 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 1mjw s ARG 43 CO 0.80 -0.49 0.24 -0.06 -1.08 0.00 0.00 175.30 174.70 1mjw s PHE 44 N -3.12 3.24 0.54 5.89 0.08 -1.26 -0.93 117.98 122.41 1mjw s PHE 44 Ca 0.13 0.22 -0.19 0.00 0.12 0.00 0.00 56.93 57.20 1mjw s PHE 44 Cb -0.00 -2.42 -0.06 0.00 -0.57 0.00 0.00 43.02 39.96 1mjw s PHE 44 CO 0.01 -0.15 1.10 -1.64 -0.10 0.00 0.00 175.22 174.44 1mjw s MET 45 N 1.77 3.41 -0.01 0.44 -1.94 -0.42 -4.95 119.30 117.61 1mjw s MET 45 Ca 0.09 1.52 0.21 0.00 -1.71 0.00 0.00 55.69 55.80 1mjw s MET 45 Cb -0.16 -2.02 -0.25 0.00 2.01 0.00 0.00 34.83 34.41 1mjw s MET 45 CO 0.10 -0.78 0.77 -1.13 -0.01 0.00 0.00 175.02 173.97 1mjw n SER 46 N -1.34 0.77 -4.89 3.03 3.41 -1.26 -4.91 113.62 108.42 1mjw n SER 46 Ca 0.11 -0.74 -0.29 0.00 -0.26 0.00 0.00 58.87 57.69 1mjw n SER 46 Cb 0.51 1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 65.68 1mjw n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mjw s THR 47 N -3.07 4.89 -1.28 6.66 -4.23 -1.26 -4.99 115.64 112.36 1mjw s THR 47 Ca 0.04 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1mjw s THR 47 Cb 0.15 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 70.38 1mjw s THR 47 CO 0.85 -0.52 1.79 0.00 -0.54 0.00 0.00 174.62 176.21 1mjw n ALA 48 N -1.37 4.92 -2.46 3.99 0.00 -1.26 -4.92 120.51 119.41 1mjw n ALA 48 Ca 0.01 -4.23 -0.11 0.00 0.00 0.00 0.00 53.44 49.11 1mjw n ALA 48 Cb 0.54 -3.09 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 1mjw n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mjw s MET 49 N 1.16 0.64 0.11 0.00 -1.94 -1.26 -5.17 119.30 112.84 1mjw s MET 49 Ca 0.42 -1.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 1mjw s MET 49 Cb 0.07 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.74 1mjw s MET 49 CO -0.00 -0.02 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.32 1mjw s PHE 50 N -2.74 1.01 0.18 -0.03 -0.12 -1.26 -4.67 117.98 110.34 1mjw s PHE 50 Ca 0.01 -0.78 -0.31 0.00 -0.05 0.00 0.00 56.93 55.80 1mjw s PHE 50 Cb -0.01 -0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 41.74 1mjw s PHE 50 CO -0.04 -0.05 1.45 0.71 -0.05 0.00 0.00 175.22 177.24 1mjw s TYR 51 N -3.09 3.13 -0.59 3.49 1.51 -1.26 -4.87 117.35 115.66 1mjw s TYR 51 Ca 0.10 0.91 0.25 0.00 -1.01 0.00 0.00 57.07 57.32 1mjw s TYR 51 Cb 0.01 -3.79 0.58 0.00 -0.11 0.00 0.00 41.96 38.66 1mjw s TYR 51 CO -0.02 -2.71 1.69 -1.00 -1.11 0.00 0.00 175.55 172.40 1mjw h PRO 52 N 6.08 0.00 -5.03 -1.71 0.13 -1.93 -1.75 132.00 127.79 1mjw h PRO 52 Ca -0.44 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.30 1mjw h PRO 52 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1mjw h PRO 52 CO 0.84 0.00 -0.62 0.00 -0.23 0.00 0.00 178.00 178.00 1mjw s ASN 54 N -3.38 5.50 -0.02 0.00 0.01 -0.98 -4.06 114.94 112.03 1mjw s ASN 54 Ca 0.37 2.37 0.04 0.00 -0.71 0.00 0.00 52.86 54.93 1mjw s ASN 54 Cb 0.08 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 1mjw s ASN 54 CO 0.14 -1.38 -0.14 -0.47 -1.51 0.00 0.00 177.10 173.74 1mjw s TYR 55 N -1.58 1.30 0.00 2.20 5.04 0.47 -0.83 117.35 123.94 1mjw s TYR 55 Ca 0.73 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1mjw s TYR 55 Cb -0.30 -0.85 0.00 0.00 0.35 0.00 0.00 41.96 41.16 1mjw s TYR 55 CO 0.34 -0.05 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 1mjw n GLY 56 N 2.87 2.40 3.26 8.97 0.00 -0.26 -0.06 105.19 122.37 1mjw n GLY 56 Ca -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1mjw n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjw s TYR 57 N -0.42 0.54 -0.22 1.61 1.13 -0.57 0.25 117.35 119.67 1mjw s TYR 57 Ca 0.00 -0.92 -0.12 0.00 -1.41 0.00 0.00 57.07 54.62 1mjw s TYR 57 Cb 0.00 -0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.61 1mjw s TYR 57 CO 0.00 -0.64 0.24 0.42 -2.51 0.00 0.00 175.55 173.06 1mjw s ILE 58 N -3.99 5.31 0.70 -3.49 1.01 -0.71 -0.43 121.20 119.60 1mjw s ILE 58 Ca 0.19 0.36 -0.11 0.00 0.00 0.00 0.00 60.65 61.09 1mjw s ILE 58 Cb 0.05 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1mjw s ILE 58 CO -0.00 0.32 1.06 0.21 0.00 0.00 0.00 174.94 176.53 1mjw s ASN 59 N 1.02 5.42 -1.61 3.58 2.47 -1.26 -3.65 114.94 120.91 1mjw s ASN 59 Ca 0.11 1.50 -0.03 0.00 0.42 0.00 0.00 52.86 54.87 1mjw s ASN 59 Cb -0.14 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1mjw s ASN 59 CO 0.05 -1.40 0.40 1.41 -3.72 0.00 0.00 177.10 173.84 1mjw n HIS 60 N -3.09 -1.61 -4.21 0.43 8.25 -1.26 -3.91 115.22 109.81 1mjw n HIS 60 Ca 0.07 0.34 -0.17 0.00 -0.26 0.00 0.00 57.72 57.70 1mjw n HIS 60 Cb 0.54 -4.28 -0.11 0.00 1.12 0.00 0.00 29.99 27.26 1mjw n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1mjw s THR 61 N -3.12 1.20 -0.17 1.59 -4.23 -1.24 -4.59 115.64 105.07 1mjw s THR 61 Ca 0.20 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1mjw s THR 61 Cb -0.09 -1.36 0.06 0.00 1.34 0.00 0.00 72.50 72.45 1mjw s THR 61 CO 0.25 -0.38 0.08 -0.22 -0.54 0.00 0.00 174.62 173.80 1mjw s LEU 62 N -2.23 0.51 0.00 4.79 2.96 -0.66 -3.59 118.68 120.46 1mjw s LEU 62 Ca 0.05 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1mjw s LEU 62 Cb -0.06 -0.31 0.11 0.00 0.50 0.00 0.00 46.19 46.43 1mjw s LEU 62 CO 0.02 -0.34 0.72 -1.54 -1.32 0.00 0.00 176.35 173.90 1mjw n SER 63 N 5.23 0.52 0.09 3.68 3.41 0.82 -4.55 113.62 122.82 1mjw n SER 63 Ca -0.07 -1.54 -0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1mjw n SER 63 Cb 0.49 -0.51 0.29 0.00 -0.26 0.00 0.00 64.21 64.21 1mjw n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1mjw h LEU 64 N 0.00 0.28 -0.20 1.04 -0.00 -1.99 -2.56 115.31 111.88 1mjw h LEU 64 Ca -0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1mjw h LEU 64 Cb 0.76 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1mjw h LEU 64 CO 0.21 0.55 0.00 -0.90 -0.00 0.00 0.00 178.44 178.30 1mjw n ASP 65 N -4.14 0.17 0.00 -0.43 5.75 -1.26 -4.89 116.55 111.75 1mjw n ASP 65 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1mjw n ASP 65 Cb 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1mjw n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mjw n GLY 66 N 0.29 2.08 3.67 6.12 0.00 -0.96 -5.05 105.19 111.33 1mjw n GLY 66 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1mjw n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mjw s ASP 67 N -3.51 4.30 0.91 1.61 1.01 -1.26 -4.79 116.67 114.94 1mjw s ASP 67 Ca 0.00 -0.98 -0.11 0.00 0.71 0.00 0.00 52.55 52.16 1mjw s ASP 67 Cb 0.00 -0.55 0.11 0.00 1.01 0.00 0.00 42.92 43.49 1mjw s ASP 67 CO 0.00 -0.31 0.96 -2.65 0.21 0.00 0.00 175.17 173.38 1mjw n PRO 68 N -1.04 -0.32 -1.90 8.23 -0.02 -1.24 -0.13 135.00 138.59 1mjw n PRO 68 Ca -0.03 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 1mjw n PRO 68 Cb 0.63 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1mjw n PRO 68 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mjw s VAL 69 N -2.49 2.43 0.03 -1.45 1.01 -1.26 -4.66 120.40 114.00 1mjw s VAL 69 Ca 0.65 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1mjw s VAL 69 Cb -0.24 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1mjw s VAL 69 CO 0.59 0.04 0.19 1.51 0.00 0.00 0.00 175.10 177.43 1mjw s ASP 70 N 0.76 6.29 0.01 3.32 1.47 -1.26 -1.74 116.67 125.52 1mjw s ASP 70 Ca 0.66 0.28 0.01 0.00 1.18 0.00 0.00 52.55 54.68 1mjw s ASP 70 Cb -0.45 -1.94 -0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1mjw s ASP 70 CO 0.39 0.21 -0.03 -0.69 0.68 0.00 0.00 175.17 175.73 1mjw s VAL 71 N -1.42 0.21 -0.22 2.11 1.01 0.14 -1.85 120.40 120.38 1mjw s VAL 71 Ca 0.31 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1mjw s VAL 71 Cb -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1mjw s VAL 71 CO 0.24 -0.07 0.14 -0.76 0.00 0.00 0.00 175.10 174.64 1mjw s LEU 72 N -0.42 4.11 -0.26 3.92 1.43 0.30 -1.11 118.68 126.66 1mjw s LEU 72 Ca -0.03 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1mjw s LEU 72 Cb -0.03 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1mjw s LEU 72 CO -0.00 0.12 -0.08 -0.69 0.23 0.00 0.00 176.35 175.93 1mjw s VAL 73 N 0.74 1.92 0.23 -1.59 1.01 -0.02 -1.51 120.40 121.19 1mjw s VAL 73 Ca 0.07 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1mjw s VAL 73 Cb -0.12 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1mjw s VAL 73 CO 0.02 -0.10 1.46 -2.16 0.00 0.00 0.00 175.10 174.31 1mjw s PRO 74 N 1.20 4.26 0.09 2.72 0.04 -1.26 -2.31 135.00 139.74 1mjw s PRO 74 Ca -0.06 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1mjw s PRO 74 Cb -0.19 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1mjw s PRO 74 CO -0.06 -0.45 -0.03 0.95 0.04 0.00 0.00 177.00 177.45 1mjw s THR 75 N 0.20 0.41 0.29 1.26 -4.23 -1.26 -4.41 115.64 107.90 1mjw s THR 75 Ca 0.61 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1mjw s THR 75 Cb -0.42 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 71.76 1mjw s THR 75 CO 0.41 -0.85 1.69 1.55 -0.54 0.00 0.00 174.62 176.88 1mjw h PRO 76 N 3.01 0.22 -4.72 3.99 0.13 -2.04 -3.43 132.00 129.16 1mjw h PRO 76 Ca -0.35 -0.11 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 1mjw h PRO 76 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1mjw h PRO 76 CO 0.64 0.62 -0.75 0.71 -0.23 0.00 0.00 178.00 179.00 1mjw s TYR 77 N -4.08 0.78 0.46 1.56 2.02 -1.26 -5.14 117.35 111.69 1mjw s TYR 77 Ca -0.04 -0.44 -0.25 0.00 -0.37 0.00 0.00 57.07 55.97 1mjw s TYR 77 Cb 0.13 -0.46 -0.08 0.00 -0.40 0.00 0.00 41.96 41.15 1mjw s TYR 77 CO 0.77 -0.04 1.40 -2.14 -1.57 0.00 0.00 175.55 173.97 1mjw s PRO 78 N -1.42 3.62 0.53 -1.71 0.02 -1.26 -5.01 135.00 129.76 1mjw s PRO 78 Ca -0.07 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.35 1mjw s PRO 78 Cb -0.09 -2.60 0.03 0.00 0.02 0.00 0.00 34.50 31.87 1mjw s PRO 78 CO 0.01 -0.85 0.74 -0.51 -0.33 0.00 0.00 177.00 176.05 1mjw s LEU 79 N -2.84 3.34 0.21 -5.54 1.43 -1.26 -4.97 118.68 109.05 1mjw s LEU 79 Ca 0.62 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.38 1mjw s LEU 79 Cb -0.43 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 42.97 1mjw s LEU 79 CO 0.54 -1.10 0.72 -1.58 0.23 0.00 0.00 176.35 175.16 1mjw s GLN 80 N -4.68 4.27 0.29 1.70 2.00 -1.26 -4.50 119.66 117.47 1mjw s GLN 80 Ca 0.57 0.88 -0.30 0.00 -2.00 0.00 0.00 55.36 54.51 1mjw s GLN 80 Cb -0.10 -2.92 -0.12 0.00 0.80 0.00 0.00 33.01 30.67 1mjw s GLN 80 CO 0.37 0.42 1.46 -2.30 -0.50 0.00 0.00 175.29 174.75 1mjw n PRO 81 N 0.83 2.37 0.00 1.67 -0.02 -1.26 -1.65 135.00 136.94 1mjw n PRO 81 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1mjw n PRO 81 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1mjw n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjw n GLY 82 N 1.72 1.70 3.93 -1.23 0.00 0.19 -5.01 105.19 106.49 1mjw n GLY 82 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1mjw n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjw s SER 83 N -1.91 6.30 -0.11 1.61 1.04 -0.66 -4.78 113.70 115.20 1mjw s SER 83 Ca 0.00 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.06 1mjw s SER 83 Cb 0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 1mjw s SER 83 CO 0.00 -0.37 -0.18 -0.69 0.98 0.00 0.00 173.24 172.97 1mjw s VAL 84 N -2.43 2.59 -0.01 5.02 1.01 -1.26 -0.73 120.40 124.59 1mjw s VAL 84 Ca 0.42 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1mjw s VAL 84 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1mjw s VAL 84 CO 0.38 0.54 -0.21 -0.51 0.00 0.00 0.00 175.10 175.31 1mjw s ILE 85 N 0.29 1.63 -0.17 2.22 2.07 -0.48 -4.95 121.20 121.81 1mjw s ILE 85 Ca -0.13 -0.91 -0.25 0.00 -1.41 0.00 0.00 60.65 57.94 1mjw s ILE 85 Cb -0.17 -1.36 -0.01 0.00 0.13 0.00 0.00 42.46 41.05 1mjw s ILE 85 CO 0.07 0.43 0.83 -0.60 -1.91 0.00 0.00 174.94 173.76 1mjw s ARG 86 N -0.56 4.30 0.17 3.50 3.52 -1.26 -0.71 118.95 127.92 1mjw s ARG 86 Ca 0.08 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1mjw s ARG 86 Cb -0.08 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1mjw s ARG 86 CO -0.01 -0.32 0.05 0.00 -0.81 0.00 0.00 175.30 174.21 1mjw s ARG 88 N -4.01 1.66 0.46 0.00 3.52 0.16 -2.35 118.95 118.39 1mjw s ARG 88 Ca 0.28 -0.43 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 1mjw s ARG 88 Cb 0.07 -1.39 -0.07 0.00 -1.56 0.00 0.00 34.95 32.00 1mjw s ARG 88 CO 0.05 0.06 1.14 -1.25 -0.81 0.00 0.00 175.30 174.50 1mjw s PRO 89 N 0.54 3.77 0.00 5.12 0.04 -1.26 -1.05 135.00 142.16 1mjw s PRO 89 Ca -0.12 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1mjw s PRO 89 Cb -0.15 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1mjw s PRO 89 CO 0.03 -0.52 0.00 1.33 0.04 0.00 0.00 177.00 177.88 1mjw n VAL 90 N -0.55 0.00 0.00 -0.36 0.24 0.15 -4.89 118.33 112.92 1mjw n VAL 90 Ca 0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1mjw n VAL 90 Cb 0.49 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 1mjw n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mjw n GLY 91 N 0.17 -0.55 3.04 7.63 0.00 -1.13 -1.96 105.19 112.39 1mjw n GLY 91 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1mjw n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjw s VAL 92 N -2.00 -0.03 -0.26 1.61 0.11 -0.24 -1.31 120.40 118.27 1mjw s VAL 92 Ca 0.00 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 1mjw s VAL 92 Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1mjw s VAL 92 CO 0.00 0.05 0.43 -0.22 -3.33 0.00 0.00 175.10 172.03 1mjw s LEU 93 N 1.05 4.06 -0.14 2.54 2.96 0.14 -0.12 118.68 129.15 1mjw s LEU 93 Ca -0.08 0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1mjw s LEU 93 Cb -0.09 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1mjw s LEU 93 CO -0.07 -0.21 0.04 -0.54 -1.32 0.00 0.00 176.35 174.25 1mjw s LYS 94 N 2.07 3.59 0.11 1.98 -0.14 -0.54 -0.57 119.74 126.24 1mjw s LYS 94 Ca 0.18 -0.36 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 1mjw s LYS 94 Cb -0.16 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1mjw s LYS 94 CO 0.09 0.45 -0.07 -1.64 -0.76 0.00 0.00 175.35 173.42 1mjw s MET 95 N -0.15 0.90 -0.09 1.68 -1.94 0.35 -0.74 119.30 119.30 1mjw s MET 95 Ca 0.06 -1.37 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1mjw s MET 95 Cb -0.12 -0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.42 1mjw s MET 95 CO 0.02 -0.00 -0.22 0.95 -0.01 0.00 0.00 175.02 175.75 1mjw s THR 96 N -3.56 1.93 0.00 2.05 -4.23 0.13 0.47 115.64 112.42 1mjw s THR 96 Ca 0.14 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1mjw s THR 96 Cb 0.05 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1mjw s THR 96 CO -0.03 0.53 0.00 -0.90 -0.54 0.00 0.00 174.62 173.68 1mjw n ASP 97 N 3.51 1.68 0.19 3.99 5.68 -0.68 -2.13 116.55 128.79 1mjw n ASP 97 Ca -0.19 -0.25 0.04 0.00 -0.50 0.00 0.00 54.79 53.89 1mjw n ASP 97 Cb 0.53 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.87 1mjw n ASP 97 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1mjw h GLU 98 N 0.00 0.00 -0.66 0.11 9.09 -1.93 -1.59 114.58 119.61 1mjw h GLU 98 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mjw h GLU 98 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1mjw h GLU 98 CO 0.00 0.39 0.00 0.00 0.05 0.00 0.00 179.01 179.45 1mjw n ALA 99 N -2.38 3.61 0.00 1.06 0.00 -1.26 -5.06 120.51 116.48 1mjw n ALA 99 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1mjw n ALA 99 Cb 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1mjw n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjw n GLY 100 N 0.54 -1.70 3.57 0.00 0.00 -0.60 -4.99 105.19 102.02 1mjw n GLY 100 Ca 0.23 -1.43 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 1mjw n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjw n GLU 101 N 0.00 1.20 -4.27 1.61 1.02 -1.26 -1.68 120.64 117.26 1mjw n GLU 101 Ca 0.00 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.37 1mjw n GLU 101 Cb 0.00 -1.82 -0.13 0.00 -0.02 0.00 0.00 31.44 29.47 1mjw n GLU 101 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1mjw s ASP 102 N -0.37 1.63 -0.01 1.62 2.15 0.18 -4.79 116.67 117.08 1mjw s ASP 102 Ca 0.65 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 53.15 1mjw s ASP 102 Cb -0.77 -0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 41.76 1mjw s ASP 102 CO 0.57 -0.02 -0.16 0.00 -0.17 0.00 0.00 175.17 175.39 1mjw s ALA 103 N -1.03 1.31 -0.13 3.66 0.00 -1.26 -0.50 121.76 123.81 1mjw s ALA 103 Ca -0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1mjw s ALA 103 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1mjw s ALA 103 CO 0.02 0.32 -0.16 0.15 0.00 0.00 0.00 175.76 176.08 1mjw s LYS 104 N -0.34 2.40 0.60 0.00 -0.14 0.26 -4.70 119.74 117.82 1mjw s LYS 104 Ca 0.06 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.91 1mjw s LYS 104 Cb -0.06 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 1mjw s LYS 104 CO -0.00 -0.14 1.03 -0.51 -0.76 0.00 0.00 175.35 174.97 1mjw s LEU 105 N 1.19 3.39 -0.13 3.17 1.43 -0.77 -0.69 118.68 126.27 1mjw s LEU 105 Ca -0.01 1.62 -0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1mjw s LEU 105 Cb -0.14 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 1mjw s LEU 105 CO -0.06 -1.01 -0.13 -0.69 0.23 0.00 0.00 176.35 174.69 1mjw s VAL 106 N -2.80 3.07 0.01 -1.59 1.01 -0.43 -0.54 120.40 119.14 1mjw s VAL 106 Ca 0.59 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1mjw s VAL 106 Cb -0.13 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1mjw s VAL 106 CO 0.43 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.96 1mjw s ALA 107 N 0.38 0.75 0.15 5.51 0.00 -0.57 -0.68 121.76 127.32 1mjw s ALA 107 Ca -0.10 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1mjw s ALA 107 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1mjw s ALA 107 CO 0.05 0.14 -0.02 0.14 0.00 0.00 0.00 175.76 176.07 1mjw s VAL 108 N -0.56 3.66 0.23 0.00 -7.23 -0.22 -4.10 120.40 112.18 1mjw s VAL 108 Ca 0.00 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1mjw s VAL 108 Cb -0.05 -2.81 -0.16 0.00 0.56 0.00 0.00 36.38 33.92 1mjw s VAL 108 CO 0.00 -0.05 0.89 -2.65 -0.31 0.00 0.00 175.10 172.98 1mjw n PRO 109 N 0.09 0.83 -1.72 4.82 -0.02 -1.26 0.38 135.00 138.12 1mjw n PRO 109 Ca -0.10 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 1mjw n PRO 109 Cb 0.54 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1mjw n PRO 109 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1mjw n HIS 110 N 0.45 2.20 0.32 6.00 -0.00 0.07 -4.62 115.22 119.63 1mjw n HIS 110 Ca 0.14 0.47 0.21 0.00 0.46 0.00 0.00 57.72 59.00 1mjw n HIS 110 Cb 0.27 -2.38 1.13 0.00 -0.12 0.00 0.00 29.99 28.90 1mjw n HIS 110 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1mjw h SER 111 N 1.91 0.00 0.37 0.26 4.64 -1.92 0.25 113.55 119.07 1mjw h SER 111 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1mjw h SER 111 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1mjw h SER 111 CO 0.59 0.00 -0.06 0.50 -0.87 0.00 0.00 176.83 176.99 1mjw h LYS 112 N 0.00 0.00 0.00 4.77 3.64 -1.96 -3.14 116.57 119.88 1mjw h LYS 112 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1mjw h LYS 112 Cb 0.02 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1mjw h LYS 112 CO 0.00 0.06 -2.16 1.28 -2.27 0.00 0.00 179.45 176.37 1mjw n LEU 113 N -3.44 0.22 -3.62 5.20 4.32 0.85 -4.98 117.00 115.55 1mjw n LEU 113 Ca -0.02 0.10 -0.12 0.00 -0.02 0.00 0.00 56.01 55.96 1mjw n LEU 113 Cb 0.20 0.36 -0.07 0.00 -1.62 0.00 0.00 43.42 42.29 1mjw n LEU 113 CO 0.27 0.40 0.59 -0.55 -1.22 0.00 0.00 177.39 176.88 1mjw s SER 114 N -5.52 -0.58 0.10 -1.43 0.15 -1.08 -5.03 113.70 100.32 1mjw s SER 114 Ca -0.08 1.05 0.26 0.00 0.70 0.00 0.00 55.95 57.87 1mjw s SER 114 Cb 0.07 1.04 0.65 0.00 -1.71 0.00 0.00 66.02 66.08 1mjw s SER 114 CO 0.84 -0.24 1.56 0.29 1.20 0.00 0.00 173.24 176.88 1mjw n LYS 115 N 2.18 0.18 0.27 5.44 4.01 -1.26 -3.86 118.16 125.12 1mjw n LYS 115 Ca -0.13 0.09 0.17 0.00 -0.51 0.00 0.00 58.31 57.93 1mjw n LYS 115 Cb 0.56 -1.65 0.84 0.00 -0.51 0.00 0.00 35.03 34.27 1mjw n LYS 115 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1mjw h GLU 116 N 0.00 0.00 -0.15 1.97 5.08 -1.95 -2.37 114.58 117.16 1mjw h GLU 116 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjw h GLU 116 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1mjw h GLU 116 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1mjw n TYR 117 N -3.18 0.31 -0.19 4.33 4.02 -1.26 -4.66 117.16 116.52 1mjw n TYR 117 Ca 0.00 -0.67 0.04 0.00 -0.01 0.00 0.00 57.90 57.26 1mjw n TYR 117 Cb 0.40 -0.11 0.31 0.00 -0.02 0.00 0.00 39.34 39.92 1mjw n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1mjw h ASP 118 N 0.91 0.75 0.68 7.72 5.19 -1.71 -1.83 116.42 128.13 1mjw h ASP 118 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1mjw h ASP 118 Cb 0.84 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1mjw h ASP 118 CO 0.04 0.51 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1mjw n HIS 119 N -4.46 0.00 -3.04 4.55 1.44 -1.26 -4.56 115.22 107.89 1mjw n HIS 119 Ca 0.09 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.36 1mjw n HIS 119 Cb 0.13 -0.37 -0.05 0.00 0.12 0.00 0.00 29.99 29.83 1mjw n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1mjw s ILE 120 N -2.73 4.68 -0.07 0.61 1.01 -0.69 -4.79 121.20 119.22 1mjw s ILE 120 Ca 0.21 -0.62 0.15 0.00 0.00 0.00 0.00 60.65 60.40 1mjw s ILE 120 Cb 0.18 -4.49 -0.23 0.00 0.01 0.00 0.00 42.46 37.93 1mjw s ILE 120 CO 0.45 -1.13 0.25 0.29 0.00 0.00 0.00 174.94 174.80 1mjw n LYS 121 N 6.71 0.85 -4.06 2.79 4.76 -1.26 -5.02 118.16 122.93 1mjw n LYS 121 Ca -0.07 -0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.13 1mjw n LYS 121 Cb 0.44 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1mjw n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mjw s ASP 122 N -4.20 0.93 0.26 4.39 -1.08 -1.26 -4.78 116.67 110.92 1mjw s ASP 122 Ca -0.06 -1.50 0.02 0.00 -0.52 0.00 0.00 52.55 50.49 1mjw s ASP 122 Cb 0.08 0.70 0.35 0.00 -1.46 0.00 0.00 42.92 42.60 1mjw s ASP 122 CO 0.66 -1.37 1.67 1.62 0.52 0.00 0.00 175.17 178.26 1mjw h VAL 123 N 2.07 1.29 0.00 1.11 3.04 -1.70 0.13 116.25 122.20 1mjw h VAL 123 Ca -0.29 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1mjw h VAL 123 Cb 1.24 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1mjw h VAL 123 CO 0.39 0.45 0.00 0.59 -1.01 0.00 0.00 177.57 177.99 1mjw n ASN 124 N -4.06 0.04 0.07 3.17 3.02 -1.26 -2.90 115.26 113.34 1mjw n ASN 124 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 1mjw n ASN 124 Cb 0.47 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 1mjw n ASN 124 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1mjw n ASP 125 N -1.55 0.60 -4.77 6.41 8.00 0.46 -4.89 116.55 120.82 1mjw n ASP 125 Ca 0.01 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.34 1mjw n ASP 125 Cb 0.07 0.89 -0.01 0.00 -0.02 0.00 0.00 41.12 42.05 1mjw n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mjw s LEU 126 N -5.13 4.33 0.19 0.64 1.43 -1.14 -4.88 118.68 114.13 1mjw s LEU 126 Ca -0.03 3.00 -0.32 0.00 -1.03 0.00 0.00 54.13 55.75 1mjw s LEU 126 Cb 0.11 -3.66 -0.15 0.00 0.03 0.00 0.00 46.19 42.52 1mjw s LEU 126 CO 0.83 -0.85 1.21 -2.65 0.23 0.00 0.00 176.35 175.11 1mjw n PRO 127 N 0.76 1.36 -0.20 1.29 -0.02 -1.26 -4.85 135.00 132.07 1mjw n PRO 127 Ca 0.02 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 1mjw n PRO 127 Cb 0.39 -2.01 0.37 0.00 -0.02 0.00 0.00 33.50 32.24 1mjw n PRO 127 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjw h GLU 128 N 3.47 0.69 -0.17 -0.52 4.39 -1.95 -2.30 114.58 118.20 1mjw h GLU 128 Ca -0.43 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.01 1mjw h GLU 128 Cb 1.33 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1mjw h GLU 128 CO 0.71 0.46 -0.73 1.25 -1.16 0.00 0.00 179.01 179.54 1mjw h LEU 129 N 0.72 0.90 -0.30 1.33 5.85 -1.99 -0.11 115.31 121.71 1mjw h LEU 129 Ca 0.35 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1mjw h LEU 129 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1mjw h LEU 129 CO -0.13 1.36 0.17 0.25 -0.34 0.00 0.00 178.44 179.75 1mjw h LEU 130 N 0.54 0.37 -0.73 2.25 5.85 -1.86 0.13 115.31 121.86 1mjw h LEU 130 Ca -0.04 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1mjw h LEU 130 Cb 1.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1mjw h LEU 130 CO 0.15 0.35 0.38 0.11 -0.34 0.00 0.00 178.44 179.09 1mjw h LYS 131 N 0.37 1.02 -0.63 1.25 1.57 -1.20 0.11 116.57 119.06 1mjw h LYS 131 Ca 0.11 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1mjw h LYS 131 Cb 0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1mjw h LYS 131 CO -0.02 0.78 0.21 0.00 -0.57 0.00 0.00 179.45 179.85 1mjw h ALA 132 N 1.19 1.18 -0.32 3.86 0.00 -0.60 -1.75 119.26 122.82 1mjw h ALA 132 Ca 0.25 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1mjw h ALA 132 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mjw h ALA 132 CO -0.04 0.58 -0.26 1.96 0.00 0.00 0.00 179.25 181.49 1mjw h GLN 133 N 0.92 0.64 0.16 0.00 4.20 -0.05 -0.06 115.11 120.91 1mjw h GLN 133 Ca 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1mjw h GLN 133 Cb 0.25 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1mjw h GLN 133 CO -0.01 0.83 -0.08 0.82 -0.67 0.00 0.00 178.83 179.73 1mjw h ILE 134 N 0.55 0.89 -0.34 2.54 2.04 -0.24 -0.91 117.51 122.05 1mjw h ILE 134 Ca 0.07 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1mjw h ILE 134 Cb 0.73 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1mjw h ILE 134 CO 0.06 0.06 0.20 0.00 0.00 0.00 0.00 178.15 178.46 1mjw h ALA 135 N 0.49 0.42 -0.82 1.87 0.00 -1.31 -1.40 119.26 118.52 1mjw h ALA 135 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mjw h ALA 135 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1mjw h ALA 135 CO 0.04 -0.16 0.54 1.25 0.00 0.00 0.00 179.25 180.92 1mjw h HIS 136 N 0.40 1.03 -0.17 0.00 -0.00 -0.92 -0.23 115.15 115.26 1mjw h HIS 136 Ca 0.13 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1mjw h HIS 136 Cb 0.00 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 1mjw h HIS 136 CO -0.08 0.64 -0.01 0.35 -0.00 0.00 0.00 177.93 178.83 1mjw h PHE 137 N 1.10 0.33 0.00 5.26 3.57 -0.50 -2.69 116.94 124.01 1mjw h PHE 137 Ca 0.30 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1mjw h PHE 137 Cb -0.11 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1mjw h PHE 137 CO -0.00 0.53 -0.30 0.74 -2.23 0.00 0.00 178.31 177.05 1mjw h PHE 138 N 0.04 0.00 0.00 0.41 0.04 -0.93 0.03 116.94 116.52 1mjw h PHE 138 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1mjw h PHE 138 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1mjw h PHE 138 CO 0.04 0.30 -0.23 0.93 -0.60 0.00 0.00 178.31 178.76 1mjw h GLU 139 N 0.00 0.00 0.00 1.51 5.08 -0.80 -3.38 114.58 117.00 1mjw h GLU 139 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjw h GLU 139 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1mjw h GLU 139 CO 0.04 0.23 -0.38 0.72 -1.00 0.00 0.00 179.01 178.61 1mjw n HIS 140 N -3.62 0.00 0.30 4.33 8.25 -0.91 -4.58 115.22 118.98 1mjw n HIS 140 Ca -0.01 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.61 1mjw n HIS 140 Cb 0.36 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.09 1mjw n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1mjw h TYR 141 N 0.00 0.00 -0.61 4.41 -0.00 -1.18 -1.73 116.97 117.86 1mjw h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1mjw h TYR 141 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1mjw h TYR 141 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1mjw n LYS 142 N -2.97 2.92 -0.19 0.10 5.02 -1.26 -4.42 118.16 117.37 1mjw n LYS 142 Ca 0.01 -2.40 0.13 0.00 -2.02 0.00 0.00 58.31 54.03 1mjw n LYS 142 Cb 0.31 -1.65 0.45 0.00 -0.02 0.00 0.00 35.03 34.13 1mjw n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1mjw h ASP 143 N 3.68 0.49 -0.56 4.39 3.32 -1.60 0.56 116.42 126.70 1mjw h ASP 143 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1mjw h ASP 143 Cb 1.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1mjw h ASP 143 CO 0.10 0.26 0.00 0.18 -1.72 0.00 0.00 179.24 178.06 1mjw n LEU 144 N -4.50 4.65 -4.38 1.55 4.77 -1.26 -4.81 117.00 113.02 1mjw n LEU 144 Ca 0.14 -2.35 -0.36 0.00 -0.03 0.00 0.00 56.01 53.42 1mjw n LEU 144 Cb 0.47 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1mjw n LEU 144 CO 0.32 0.68 -0.34 -1.61 -1.33 0.00 0.00 177.39 175.12 1mjw s GLU 145 N -2.09 3.51 0.00 3.23 2.02 0.19 -4.97 118.70 120.59 1mjw s GLU 145 Ca 0.47 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.61 1mjw s GLU 145 Cb 0.32 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.32 1mjw s GLU 145 CO 0.19 -0.19 1.89 0.15 0.02 0.00 0.00 175.26 177.32 1mjw s LYS 146 N 1.53 4.12 0.00 1.61 -0.14 -1.26 -2.85 119.74 122.74 1mjw s LYS 146 Ca 0.06 2.47 0.00 0.00 -1.36 0.00 0.00 55.97 57.14 1mjw s LYS 146 Cb -0.15 -4.12 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 1mjw s LYS 146 CO 0.00 -0.97 0.00 0.41 -0.76 0.00 0.00 175.35 174.03 1mjw n GLY 147 N 4.47 0.63 3.30 -3.33 0.00 -1.26 -5.05 105.19 103.96 1mjw n GLY 147 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1mjw n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjw s LYS 148 N -0.22 2.11 0.11 1.61 1.02 -1.13 -4.97 119.74 118.26 1mjw s LYS 148 Ca 0.00 -0.91 -0.20 0.00 0.02 0.00 0.00 55.97 54.88 1mjw s LYS 148 Cb 0.00 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1mjw s LYS 148 CO 0.00 0.53 0.51 1.67 -0.92 0.00 0.00 175.35 177.14 1mjw s TRP 149 N -0.56 -0.39 0.03 3.18 1.48 -1.26 -4.74 118.94 116.68 1mjw s TRP 149 Ca 0.09 0.22 0.02 0.00 -1.06 0.00 0.00 56.10 55.36 1mjw s TRP 149 Cb -0.10 0.39 -0.02 0.00 -1.16 0.00 0.00 33.47 32.58 1mjw s TRP 149 CO -0.01 -0.74 -0.07 0.08 -4.06 0.00 0.00 176.95 172.16 1mjw s VAL 150 N -3.37 0.47 -0.08 -0.66 1.01 -1.26 -3.39 120.40 113.11 1mjw s VAL 150 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1mjw s VAL 150 Cb 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1mjw s VAL 150 CO -0.09 -0.22 0.20 -1.59 0.00 0.00 0.00 175.10 173.40 1mjw s LYS 151 N -1.08 0.17 -0.05 2.72 -2.85 -0.91 -4.69 119.74 113.05 1mjw s LYS 151 Ca -0.06 0.42 -0.26 0.00 -1.00 0.00 0.00 55.97 55.07 1mjw s LYS 151 Cb -0.07 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 1mjw s LYS 151 CO 0.00 -0.14 0.79 0.08 0.10 0.00 0.00 175.35 176.19 1mjw s VAL 152 N 0.98 4.98 -0.23 1.79 1.01 -1.26 0.18 120.40 127.85 1mjw s VAL 152 Ca -0.07 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 1mjw s VAL 152 Cb -0.09 -4.13 -0.17 0.00 0.00 0.00 0.00 36.38 31.99 1mjw s VAL 152 CO -0.06 0.21 -0.07 -0.62 0.00 0.00 0.00 175.10 174.56 1mjw n GLU 153 N 3.89 0.62 -2.64 2.72 1.02 0.08 -4.94 120.64 121.38 1mjw n GLU 153 Ca 0.01 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1mjw n GLU 153 Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1mjw n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjw n GLY 154 N 1.57 -0.08 3.87 0.62 0.00 -1.11 -4.99 105.19 105.07 1mjw n GLY 154 Ca -0.44 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1mjw n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mjw s TRP 155 N -2.95 3.62 0.43 1.61 0.52 -1.26 -1.47 118.94 119.44 1mjw s TRP 155 Ca 0.00 0.65 0.05 0.00 0.02 0.00 0.00 56.10 56.82 1mjw s TRP 155 Cb 0.00 -2.03 -0.06 0.00 -1.15 0.00 0.00 33.47 30.23 1mjw s TRP 155 CO 0.00 0.68 0.01 -1.21 0.02 0.00 0.00 176.95 176.46 1mjw s GLU 156 N -1.25 2.00 0.42 4.98 2.02 0.82 -4.96 118.70 122.73 1mjw s GLU 156 Ca 0.21 -2.18 -0.02 0.00 0.02 0.00 0.00 54.97 53.00 1mjw s GLU 156 Cb -0.13 -1.53 0.09 0.00 0.10 0.00 0.00 34.13 32.65 1mjw s GLU 156 CO 0.10 -0.16 0.57 0.27 0.02 0.00 0.00 175.26 176.06 1mjw n ASN 157 N -1.04 0.60 -0.06 -0.19 0.23 -1.26 -1.08 115.26 112.45 1mjw n ASN 157 Ca -0.09 -1.55 -0.03 0.00 -0.53 0.00 0.00 54.58 52.38 1mjw n ASN 157 Cb 0.67 -0.39 0.19 0.00 -2.08 0.00 0.00 39.78 38.18 1mjw n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mjw h ALA 158 N -0.79 1.15 -0.65 -2.53 0.00 -1.86 -1.93 119.26 112.66 1mjw h ALA 158 Ca -0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1mjw h ALA 158 Cb 0.65 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1mjw h ALA 158 CO 0.19 0.54 0.12 0.93 0.00 0.00 0.00 179.25 181.03 1mjw h GLU 159 N 0.63 1.05 -0.20 0.00 4.39 -1.93 0.82 114.58 119.34 1mjw h GLU 159 Ca 0.12 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 1mjw h GLU 159 Cb 0.47 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1mjw h GLU 159 CO 0.02 0.96 -0.38 0.00 -1.16 0.00 0.00 179.01 178.45 1mjw h ALA 160 N 1.13 0.98 -0.17 3.43 0.00 -1.75 -1.07 119.26 121.80 1mjw h ALA 160 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1mjw h ALA 160 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mjw h ALA 160 CO 0.01 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1mjw h ALA 161 N 1.22 0.22 -0.84 0.00 0.00 -0.93 -2.15 119.26 116.78 1mjw h ALA 161 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mjw h ALA 161 Cb 0.83 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1mjw h ALA 161 CO 0.07 -0.14 0.40 0.87 0.00 0.00 0.00 179.25 180.45 1mjw h LYS 162 N 0.09 1.22 -0.88 0.00 1.57 -0.63 -2.36 116.57 115.57 1mjw h LYS 162 Ca 0.05 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1mjw h LYS 162 Cb 0.25 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1mjw h LYS 162 CO -0.00 0.94 0.47 0.00 -0.57 0.00 0.00 179.45 180.29 1mjw h ALA 163 N 1.22 1.16 -0.52 3.86 0.00 -1.06 -1.21 119.26 122.71 1mjw h ALA 163 Ca 0.29 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1mjw h ALA 163 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mjw h ALA 163 CO -0.04 0.66 0.12 1.49 0.00 0.00 0.00 179.25 181.48 1mjw h GLU 164 N 1.24 0.85 -0.07 0.00 4.57 -0.89 0.40 114.58 120.68 1mjw h GLU 164 Ca 0.31 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1mjw h GLU 164 Cb 0.05 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1mjw h GLU 164 CO -0.05 0.81 -0.08 0.82 -1.18 0.00 0.00 179.01 179.33 1mjw h ILE 165 N 0.74 0.77 -0.49 2.32 2.04 -1.11 0.82 117.51 122.60 1mjw h ILE 165 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1mjw h ILE 165 Cb 0.36 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1mjw h ILE 165 CO 0.00 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.89 1mjw h VAL 166 N -0.11 1.23 -0.47 1.67 2.07 -1.07 0.85 116.25 120.42 1mjw h VAL 166 Ca 0.06 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1mjw h VAL 166 Cb 0.19 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1mjw h VAL 166 CO -0.13 0.28 -0.06 0.00 0.02 0.00 0.00 177.57 177.67 1mjw h ALA 167 N 1.01 0.64 0.00 1.67 0.00 -0.71 0.56 119.26 122.43 1mjw h ALA 167 Ca 0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1mjw h ALA 167 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1mjw h ALA 167 CO -0.01 0.50 -0.37 0.77 0.00 0.00 0.00 179.25 180.15 1mjw h SER 168 N 0.72 0.00 0.09 0.00 0.02 -0.56 -1.73 113.55 112.09 1mjw h SER 168 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1mjw h SER 168 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1mjw h SER 168 CO 0.04 0.37 -0.04 0.15 -1.14 0.00 0.00 176.83 176.20 1mjw h PHE 169 N 0.00 -0.11 -0.99 3.45 3.57 -0.32 -1.70 116.94 120.84 1mjw h PHE 169 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1mjw h PHE 169 Cb 1.14 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1mjw h PHE 169 CO 0.00 0.37 0.65 0.93 -2.23 0.00 0.00 178.31 178.03 1mjw h GLU 170 N -0.66 1.19 0.00 1.11 4.39 -0.91 -1.50 114.58 118.20 1mjw h GLU 170 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1mjw h GLU 170 Cb 0.53 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1mjw h GLU 170 CO 0.02 0.78 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.55 1mjw h ARG 171 N 1.22 0.00 0.01 2.33 2.43 -1.38 -2.89 114.38 116.10 1mjw h ARG 171 Ca 0.40 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.37 1mjw h ARG 171 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1mjw h ARG 171 CO -0.14 0.02 -0.92 0.00 -1.51 0.00 0.00 179.97 177.42 1mjw h ALA 172 N 1.98 0.46 -0.23 2.80 0.00 -1.06 -3.19 119.26 120.02 1mjw h ALA 172 Ca -0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 54.91 53.97 1mjw h ALA 172 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mjw h ALA 172 CO 0.00 0.93 -0.60 1.57 0.00 0.00 0.00 179.25 181.15 1mjw h LYS 173 N 0.11 0.76 -0.02 0.00 2.10 -1.43 -3.34 116.57 114.75 1mjw h LYS 173 Ca -0.05 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1mjw h LYS 173 Cb 1.57 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 1mjw h LYS 173 CO 0.14 1.14 -0.18 0.27 -2.00 0.00 0.00 179.45 178.82 1mjw n ASN 174 N -3.97 2.29 0.00 7.07 6.94 -1.25 -5.18 115.26 121.16 1mjw n ASN 174 Ca -0.05 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1mjw n ASN 174 Cb 0.65 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 1mjw n ASN 174 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52