#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jks s VAL 3 N 0.00 5.02 0.51 12.58 0.11 -1.26 -5.06 120.40 132.30 1jks s VAL 3 Ca 0.00 0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 1jks s VAL 3 Cb 0.00 -3.62 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1jks s VAL 3 CO 0.00 -0.01 0.25 -0.36 -3.33 0.00 0.00 175.10 171.65 1jks s PHE 4 N -1.74 1.86 0.10 1.54 0.08 -1.26 -5.07 117.98 113.49 1jks s PHE 4 Ca 0.44 -0.83 -0.31 0.00 0.12 0.00 0.00 56.93 56.35 1jks s PHE 4 Cb -0.12 -1.84 -0.10 0.00 -0.57 0.00 0.00 43.02 40.40 1jks s PHE 4 CO 0.22 -0.17 1.82 1.03 -0.10 0.00 0.00 175.22 178.02 1jks s ARG 5 N -4.10 4.15 0.00 0.44 0.52 -0.95 -4.70 118.95 114.31 1jks s ARG 5 Ca 0.27 2.55 0.20 0.00 -0.52 0.00 0.00 55.73 58.22 1jks s ARG 5 Cb -0.00 -3.67 0.50 0.00 0.52 0.00 0.00 34.95 32.29 1jks s ARG 5 CO 0.16 -0.84 1.42 1.04 0.02 0.00 0.00 175.30 177.10 1jks n GLN 6 N 5.93 2.63 -2.07 3.54 6.02 -1.26 -0.68 117.38 131.50 1jks n GLN 6 Ca 0.18 -2.39 -0.33 0.00 -0.01 0.00 0.00 57.00 54.45 1jks n GLN 6 Cb 0.39 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 30.19 1jks n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jks s GLU 7 N -1.10 3.25 0.05 -1.09 2.02 -1.26 -4.91 118.70 115.66 1jks s GLU 7 Ca 0.40 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.41 1jks s GLU 7 Cb 0.21 -2.02 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 1jks s GLU 7 CO 0.28 -0.88 1.74 1.21 0.02 0.00 0.00 175.26 177.63 1jks s ASN 8 N -2.48 6.56 0.55 -0.19 3.84 -1.26 -4.77 114.94 117.18 1jks s ASN 8 Ca 0.66 2.52 0.22 0.00 0.21 0.00 0.00 52.86 56.48 1jks s ASN 8 Cb -0.18 -2.55 1.47 0.00 -0.55 0.00 0.00 41.25 39.43 1jks s ASN 8 CO 0.34 -0.94 2.15 1.62 -2.79 0.00 0.00 177.10 177.48 1jks h VAL 9 N 5.05 0.78 0.00 -5.21 3.04 -1.94 -0.67 116.25 117.30 1jks h VAL 9 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1jks h VAL 9 Cb 1.21 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1jks h VAL 9 CO 0.94 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.97 1jks n ASP 10 N -4.26 0.61 0.03 3.17 8.00 -1.26 -0.74 116.55 122.10 1jks n ASP 10 Ca -0.01 0.70 0.13 0.00 0.71 0.00 0.00 54.79 56.32 1jks n ASP 10 Cb 0.19 -0.81 0.39 0.00 -0.02 0.00 0.00 41.12 40.87 1jks n ASP 10 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jks n ASP 11 N -2.22 0.43 0.00 -2.24 8.00 -0.26 -4.09 116.55 116.17 1jks n ASP 11 Ca 0.01 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1jks n ASP 11 Cb 0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1jks n ASP 11 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jks n TYR 12 N -1.77 0.00 -4.05 1.24 4.01 -0.49 -4.96 117.16 111.13 1jks n TYR 12 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 1jks n TYR 12 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 1jks n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jks s TYR 13 N -1.80 0.58 -0.11 -0.72 2.02 0.08 -0.74 117.35 116.65 1jks s TYR 13 Ca 0.00 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1jks s TYR 13 Cb 0.00 -0.36 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 1jks s TYR 13 CO 0.00 -0.12 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.20 1jks s ASP 14 N -1.63 3.82 0.31 2.29 1.01 -0.58 -4.32 116.67 117.58 1jks s ASP 14 Ca -0.10 -0.35 0.05 0.00 0.71 0.00 0.00 52.55 52.85 1jks s ASP 14 Cb -0.09 -1.42 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 1jks s ASP 14 CO -0.00 0.20 0.46 0.42 0.21 0.00 0.00 175.17 176.45 1jks s THR 15 N 0.16 4.64 0.00 -1.27 -4.23 -1.26 -0.60 115.64 113.07 1jks s THR 15 Ca -0.08 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1jks s THR 15 Cb -0.15 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1jks s THR 15 CO 0.05 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1jks n GLY 16 N -1.61 4.87 3.65 3.99 0.00 0.78 -4.94 105.19 111.92 1jks n GLY 16 Ca -0.04 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 1jks n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jks n GLU 17 N 0.00 1.86 -2.88 1.61 2.13 -1.26 -4.51 120.64 117.59 1jks n GLU 17 Ca 0.00 0.66 -0.41 0.00 0.66 0.00 0.00 57.16 58.07 1jks n GLU 17 Cb 0.00 -2.29 -0.04 0.00 0.27 0.00 0.00 31.44 29.38 1jks n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jks s GLU 18 N -0.38 4.31 -0.14 5.31 2.12 -1.26 -0.36 118.70 128.29 1jks s GLU 18 Ca 0.69 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.78 1jks s GLU 18 Cb -0.69 -3.57 -0.26 0.00 0.26 0.00 0.00 34.13 29.87 1jks s GLU 18 CO 0.50 -0.32 0.74 -0.07 -0.54 0.00 0.00 175.26 175.57 1jks h LEU 19 N 8.26 0.00 -7.53 2.70 3.38 -1.03 -3.48 115.31 117.62 1jks h LEU 19 Ca -0.30 -0.98 -0.05 0.00 0.09 0.00 0.00 57.88 56.65 1jks h LEU 19 Cb 1.13 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1jks h LEU 19 CO 0.84 1.03 -0.09 -0.83 0.09 0.00 0.00 178.44 179.48 1jks s GLY 20 N -4.25 -0.16 -0.05 0.83 0.00 -1.15 -5.01 107.32 97.53 1jks s GLY 20 Ca -0.19 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.35 1jks s GLY 20 CO 0.69 -0.37 -0.04 -0.45 0.00 0.00 0.00 173.10 172.93 1jks s SER 21 N -2.83 1.00 0.00 1.64 0.15 -1.26 -0.99 113.70 111.40 1jks s SER 21 Ca 0.05 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1jks s SER 21 Cb 0.02 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1jks s SER 21 CO -0.09 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1jks n GLY 22 N 4.13 6.37 0.12 9.45 0.00 0.24 -5.00 105.19 120.50 1jks n GLY 22 Ca -0.23 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 1jks n GLY 22 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jks h GLN 23 N 0.00 0.32 0.00 1.61 4.15 -2.02 -3.37 115.11 115.80 1jks h GLN 23 Ca 0.00 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1jks h GLN 23 Cb 0.00 0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1jks h GLN 23 CO 0.00 1.16 -0.15 1.19 -1.93 0.00 0.00 178.83 179.11 1jks n PHE 24 N -3.62 0.00 -3.67 3.99 3.72 -1.26 -4.95 117.46 111.67 1jks n PHE 24 Ca -0.08 -0.34 -0.15 0.00 -0.05 0.00 0.00 57.45 56.83 1jks n PHE 24 Cb 0.94 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 39.34 1jks n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jks s ALA 25 N -0.90 -1.20 -0.02 4.37 0.00 -1.26 -1.03 121.76 121.72 1jks s ALA 25 Ca 0.08 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1jks s ALA 25 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1jks s ALA 25 CO 0.01 -0.29 -0.09 0.08 0.00 0.00 0.00 175.76 175.47 1jks s VAL 26 N -0.84 0.75 -0.13 0.00 1.01 -0.70 0.79 120.40 121.29 1jks s VAL 26 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1jks s VAL 26 Cb -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1jks s VAL 26 CO 0.05 0.23 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 1jks s VAL 27 N 0.08 2.86 0.00 2.92 1.01 -0.16 -0.25 120.40 126.86 1jks s VAL 27 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1jks s VAL 27 Cb -0.07 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1jks s VAL 27 CO 0.00 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.96 1jks s LYS 28 N 0.37 1.04 0.53 2.72 1.02 -0.08 -0.33 119.74 125.01 1jks s LYS 28 Ca -0.12 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.12 1jks s LYS 28 Cb -0.16 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.07 1jks s LYS 28 CO 0.06 0.27 1.23 0.15 -0.92 0.00 0.00 175.35 176.15 1jks s LYS 29 N -0.50 3.30 0.17 1.68 1.02 0.51 -0.30 119.74 125.62 1jks s LYS 29 Ca 0.04 1.92 -0.12 0.00 0.02 0.00 0.00 55.97 57.83 1jks s LYS 29 Cb -0.06 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1jks s LYS 29 CO -0.00 -0.97 0.36 0.00 -0.92 0.00 0.00 175.35 173.82 1jks s ARG 31 N -3.94 1.34 -0.04 0.00 3.52 0.23 -0.86 118.95 119.20 1jks s ARG 31 Ca 0.14 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 1jks s ARG 31 Cb 0.02 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 1jks s ARG 31 CO -0.01 -0.06 1.17 -2.00 -0.81 0.00 0.00 175.30 173.60 1jks s GLU 32 N 0.91 4.38 0.24 5.12 2.12 -0.06 -1.52 118.70 129.89 1jks s GLU 32 Ca -0.11 1.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.80 1jks s GLU 32 Cb -0.15 -3.53 0.23 0.00 0.26 0.00 0.00 34.13 30.95 1jks s GLU 32 CO 0.01 -0.39 1.91 0.87 -0.54 0.00 0.00 175.26 177.12 1jks h LYS 33 N 7.31 1.20 0.00 4.30 1.57 -1.27 0.16 116.57 129.83 1jks h LYS 33 Ca -0.35 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1jks h LYS 33 Cb 1.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1jks h LYS 33 CO 0.86 0.79 -0.39 0.66 -0.57 0.00 0.00 179.45 180.80 1jks h SER 34 N 1.23 0.00 0.00 0.86 4.64 -1.92 -3.36 113.55 115.00 1jks h SER 34 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1jks h SER 34 Cb -0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1jks h SER 34 CO -0.08 0.39 -1.05 0.35 -0.87 0.00 0.00 176.83 175.58 1jks n THR 35 N -3.72 0.00 -0.82 2.95 -2.24 -1.17 -5.00 114.28 104.28 1jks n THR 35 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1jks n THR 35 Cb 0.48 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1jks n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jks n GLY 36 N 2.47 1.18 3.77 3.38 0.00 0.55 -5.01 105.19 111.53 1jks n GLY 36 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jks n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jks s LEU 37 N 0.00 4.26 0.00 0.99 1.43 -1.25 -4.70 118.68 119.40 1jks s LEU 37 Ca 0.00 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.22 1jks s LEU 37 Cb 0.00 -4.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 1jks s LEU 37 CO 0.00 -0.47 0.27 -1.10 0.23 0.00 0.00 176.35 175.28 1jks s GLN 38 N -2.18 3.59 0.33 1.70 -0.21 -1.26 -0.88 119.66 120.75 1jks s GLN 38 Ca 0.54 -0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.91 1jks s GLN 38 Cb -0.27 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.64 1jks s GLN 38 CO 0.34 0.66 0.36 0.66 -2.12 0.00 0.00 175.29 175.19 1jks n TYR 39 N 1.21 -1.06 -4.27 0.91 4.01 -0.04 -4.36 117.16 113.57 1jks n TYR 39 Ca -0.12 -2.50 -0.33 0.00 -0.16 0.00 0.00 57.90 54.80 1jks n TYR 39 Cb 0.53 0.39 -0.16 0.00 -0.31 0.00 0.00 39.34 39.79 1jks n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jks s ALA 40 N -3.04 2.29 -0.31 -0.72 0.00 0.67 -0.86 121.76 119.77 1jks s ALA 40 Ca 0.34 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1jks s ALA 40 Cb 0.01 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1jks s ALA 40 CO 0.24 -0.26 0.35 0.00 0.00 0.00 0.00 175.76 176.08 1jks s ALA 41 N 1.17 3.52 -0.38 0.00 0.00 0.59 0.02 121.76 126.68 1jks s ALA 41 Ca 0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1jks s ALA 41 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1jks s ALA 41 CO -0.10 -0.89 0.24 0.21 0.00 0.00 0.00 175.76 175.23 1jks s LYS 42 N 2.01 3.02 -0.40 0.00 2.20 0.48 -0.90 119.74 126.15 1jks s LYS 42 Ca 0.12 -0.97 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1jks s LYS 42 Cb -0.16 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.34 1jks s LYS 42 CO 0.11 -0.66 0.59 -0.06 -0.36 0.00 0.00 175.35 174.97 1jks s PHE 43 N 1.63 3.12 -0.25 4.03 0.40 0.65 -0.85 117.98 126.71 1jks s PHE 43 Ca 0.04 0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.34 1jks s PHE 43 Cb -0.19 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 1jks s PHE 43 CO 0.08 -0.72 0.12 0.42 0.70 0.00 0.00 175.22 175.83 1jks s ILE 44 N 2.62 4.77 0.06 0.64 1.01 0.18 -1.73 121.20 128.76 1jks s ILE 44 Ca 0.21 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1jks s ILE 44 Cb -0.15 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 1jks s ILE 44 CO 0.16 0.32 1.42 -0.75 0.00 0.00 0.00 174.94 176.09 1jks s LYS 45 N 1.52 4.30 0.59 2.79 2.47 -0.20 -1.40 119.74 129.81 1jks s LYS 45 Ca 0.06 2.05 -0.10 0.00 -1.56 0.00 0.00 55.97 56.43 1jks s LYS 45 Cb -0.15 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 1jks s LYS 45 CO 0.06 -0.52 0.97 0.15 0.16 0.00 0.00 175.35 176.18 1jks s LYS 46 N 1.76 3.59 0.19 4.03 1.02 -0.18 -0.40 119.74 129.75 1jks s LYS 46 Ca 0.65 0.62 -0.23 0.00 0.02 0.00 0.00 55.97 57.03 1jks s LYS 46 Cb -0.35 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 1jks s LYS 46 CO 0.29 -0.48 0.76 1.03 -0.92 0.00 0.00 175.35 176.03 1jks s ARG 47 N -5.07 4.46 0.03 1.68 0.52 -1.17 -4.44 118.95 114.95 1jks s ARG 47 Ca 0.53 1.06 0.23 0.00 -0.52 0.00 0.00 55.73 57.04 1jks s ARG 47 Cb -0.11 -3.11 0.19 0.00 0.52 0.00 0.00 34.95 32.44 1jks s ARG 47 CO 0.52 0.50 1.16 0.54 0.02 0.00 0.00 175.30 178.04 1jks n ARG 48 N 1.25 0.14 -3.74 3.54 5.12 -1.26 -4.93 116.66 116.78 1jks n ARG 48 Ca -0.04 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.77 1jks n ARG 48 Cb 0.50 -1.55 -0.07 0.00 -1.16 0.00 0.00 32.46 30.17 1jks n ARG 48 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jks s THR 49 N -3.10 0.08 0.22 0.55 -4.23 -1.26 -5.05 115.64 102.85 1jks s THR 49 Ca 0.07 -0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1jks s THR 49 Cb 0.16 -1.01 0.18 0.00 1.34 0.00 0.00 72.50 73.16 1jks s THR 49 CO 0.77 -0.38 1.81 0.11 -0.54 0.00 0.00 174.62 176.39 1jks h LYS 50 N 3.04 1.21 -0.62 3.99 1.57 -2.01 -2.61 116.57 121.15 1jks h LYS 50 Ca -0.32 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1jks h LYS 50 Cb 1.21 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1jks h LYS 50 CO 0.47 0.94 0.00 -1.13 -0.57 0.00 0.00 179.45 179.16 1jks n SER 51 N -4.31 2.91 -4.78 0.86 3.41 -1.26 -4.91 113.62 105.54 1jks n SER 51 Ca 0.08 -2.29 -0.39 0.00 -0.26 0.00 0.00 58.87 56.01 1jks n SER 51 Cb 0.15 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1jks n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jks s SER 52 N -0.65 7.38 0.13 4.04 0.15 -0.98 -4.96 113.70 118.80 1jks s SER 52 Ca 0.28 1.65 0.19 0.00 0.70 0.00 0.00 55.95 58.77 1jks s SER 52 Cb 0.18 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1jks s SER 52 CO 0.12 0.18 0.93 0.08 1.20 0.00 0.00 173.24 175.75 1jks h ARG 53 N 4.19 0.00 -7.08 5.44 -0.00 -1.91 -3.47 114.38 111.55 1jks h ARG 53 Ca -0.47 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.04 1jks h ARG 53 Cb 1.20 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.20 1jks h ARG 53 CO 0.66 0.17 0.39 1.03 -0.00 0.00 0.00 179.97 182.22 1jks s ARG 54 N -3.11 3.76 0.10 0.08 3.00 -1.26 -4.89 118.95 116.64 1jks s ARG 54 Ca -0.02 1.35 0.00 0.00 0.00 0.00 0.00 55.73 57.06 1jks s ARG 54 Cb 0.09 -2.09 0.00 0.00 0.00 0.00 0.00 34.95 32.95 1jks s ARG 54 CO 0.80 -0.46 0.00 0.41 0.00 0.00 0.00 175.30 176.05 1jks n GLY 55 N -0.31 -1.78 3.54 -3.53 0.00 -1.26 -4.46 105.19 97.39 1jks n GLY 55 Ca 0.09 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1jks n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jks s VAL 56 N -1.81 3.89 0.66 1.61 1.01 0.47 -4.74 120.40 121.49 1jks s VAL 56 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1jks s VAL 56 Cb 0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1jks s VAL 56 CO 0.00 0.53 1.24 -0.94 0.00 0.00 0.00 175.10 175.94 1jks s SER 57 N -0.06 4.62 0.22 3.32 1.04 -1.26 -3.05 113.70 118.53 1jks s SER 57 Ca 0.02 2.48 -0.08 0.00 0.48 0.00 0.00 55.95 58.84 1jks s SER 57 Cb -0.13 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.67 1jks s SER 57 CO 0.03 -1.98 1.79 -0.09 0.98 0.00 0.00 173.24 173.96 1jks h ARG 58 N 0.36 0.60 -0.59 4.02 9.65 -1.98 -1.20 114.38 125.24 1jks h ARG 58 Ca -0.50 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.41 1jks h ARG 58 Cb 1.31 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 29.70 1jks h ARG 58 CO 0.52 0.40 0.29 1.49 2.80 0.00 0.00 179.97 185.47 1jks h GLU 59 N 0.62 0.52 -0.26 0.20 4.81 -1.99 -0.19 114.58 118.28 1jks h GLU 59 Ca 0.32 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1jks h GLU 59 Cb 0.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1jks h GLU 59 CO -0.23 0.34 -0.33 -0.44 -0.73 0.00 0.00 179.01 177.62 1jks h ASP 60 N 0.54 0.59 -0.25 1.04 3.32 -1.68 -1.95 116.42 118.02 1jks h ASP 60 Ca 0.27 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1jks h ASP 60 Cb 0.22 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1jks h ASP 60 CO -0.21 0.88 -0.21 0.40 -1.72 0.00 0.00 179.24 178.38 1jks h ILE 61 N 0.48 1.31 -0.17 0.35 2.04 -0.77 -2.83 117.51 117.92 1jks h ILE 61 Ca 0.05 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1jks h ILE 61 Cb 0.81 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1jks h ILE 61 CO 0.07 0.43 -0.11 -0.33 0.00 0.00 0.00 178.15 178.21 1jks h GLU 62 N 0.30 0.27 -0.27 2.37 5.08 -0.98 -1.70 114.58 119.64 1jks h GLU 62 Ca 0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1jks h GLU 62 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1jks h GLU 62 CO 0.05 0.38 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.36 1jks h ARG 63 N 0.25 0.48 -0.38 2.33 2.43 -1.27 -0.01 114.38 118.22 1jks h ARG 63 Ca 0.05 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1jks h ARG 63 Cb 0.35 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1jks h ARG 63 CO 0.02 0.65 0.23 1.49 -1.51 0.00 0.00 179.97 180.85 1jks h GLU 64 N 0.26 0.51 -0.45 0.20 4.81 -1.21 -1.49 114.58 117.22 1jks h GLU 64 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1jks h GLU 64 Cb 0.43 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1jks h GLU 64 CO 0.01 0.36 0.20 0.28 -0.73 0.00 0.00 179.01 179.13 1jks h VAL 65 N 0.50 1.19 -0.66 0.32 2.07 -1.23 -1.16 116.25 117.28 1jks h VAL 65 Ca 0.14 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1jks h VAL 65 Cb -0.02 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1jks h VAL 65 CO -0.03 0.22 0.43 0.28 0.02 0.00 0.00 177.57 178.49 1jks h SER 66 N 0.58 0.74 -0.22 0.57 0.02 -0.77 -0.46 113.55 114.01 1jks h SER 66 Ca 0.15 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1jks h SER 66 Cb 0.16 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1jks h SER 66 CO -0.02 0.53 -0.04 0.40 -1.14 0.00 0.00 176.83 176.57 1jks h ILE 67 N 0.88 1.28 -0.78 3.27 2.04 -1.13 -2.92 117.51 120.14 1jks h ILE 67 Ca 0.25 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1jks h ILE 67 Cb -0.08 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1jks h ILE 67 CO -0.06 0.31 0.52 -0.07 0.00 0.00 0.00 178.15 178.84 1jks h LEU 68 N 0.15 0.86 -1.63 1.44 3.38 -0.93 -1.70 115.31 116.88 1jks h LEU 68 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jks h LEU 68 Cb 0.48 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jks h LEU 68 CO 0.02 0.61 -0.20 0.11 0.09 0.00 0.00 178.44 179.06 1jks h LYS 69 N 1.01 0.00 0.05 1.13 1.57 -0.96 -2.98 116.57 116.39 1jks h LYS 69 Ca 0.30 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.82 1jks h LYS 69 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jks h LYS 69 CO -0.08 0.20 -1.07 0.93 -0.57 0.00 0.00 179.45 178.86 1jks h GLU 70 N 0.00 0.43 -6.64 3.15 5.08 -1.13 -3.46 114.58 112.00 1jks h GLU 70 Ca -0.00 -0.54 -0.51 0.00 -1.00 0.00 0.00 59.36 57.31 1jks h GLU 70 Cb 0.45 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1jks h GLU 70 CO 0.03 1.19 0.45 0.42 -1.00 0.00 0.00 179.01 180.10 1jks s ILE 71 N -3.08 4.00 -0.34 3.13 1.01 -1.06 -5.02 121.20 119.84 1jks s ILE 71 Ca -0.06 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.34 1jks s ILE 71 Cb 0.08 -4.10 0.16 0.00 0.01 0.00 0.00 42.46 38.61 1jks s ILE 71 CO 0.89 0.29 0.43 -1.58 0.00 0.00 0.00 174.94 174.97 1jks s GLN 72 N -0.32 0.56 -0.12 2.79 2.00 -1.26 -4.82 119.66 118.49 1jks s GLN 72 Ca 0.49 -0.29 -0.19 0.00 -2.00 0.00 0.00 55.36 53.36 1jks s GLN 72 Cb -0.28 -0.39 0.05 0.00 0.80 0.00 0.00 33.01 33.19 1jks s GLN 72 CO 0.34 -1.12 0.48 -1.58 -0.50 0.00 0.00 175.29 172.91 1jks s HIS 73 N 2.03 -0.47 0.53 1.67 2.46 -1.26 -5.06 115.29 115.19 1jks s HIS 73 Ca 0.13 1.03 0.25 0.00 0.47 0.00 0.00 55.06 56.94 1jks s HIS 73 Cb -0.12 0.20 1.40 0.00 -0.13 0.00 0.00 32.58 33.94 1jks s HIS 73 CO -0.17 -0.36 2.00 -1.35 -2.47 0.00 0.00 174.74 172.40 1jks h PRO 74 N 4.56 0.00 -0.64 2.88 0.11 -1.99 -2.21 132.00 134.70 1jks h PRO 74 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1jks h PRO 74 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jks h PRO 74 CO 0.28 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.16 1jks n ASN 75 N -4.34 4.60 -3.98 -2.05 5.03 -1.26 -4.76 115.26 108.50 1jks n ASN 75 Ca 0.09 -2.53 -0.18 0.00 0.87 0.00 0.00 54.58 52.82 1jks n ASN 75 Cb 0.57 -0.59 -0.15 0.00 -1.02 0.00 0.00 39.78 38.60 1jks n ASN 75 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jks s VAL 76 N -2.06 0.58 0.43 2.41 1.01 -0.83 -0.54 120.40 121.41 1jks s VAL 76 Ca 0.47 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1jks s VAL 76 Cb 0.32 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 1jks s VAL 76 CO 0.19 0.18 1.45 -0.51 0.00 0.00 0.00 175.10 176.41 1jks s ILE 77 N 0.02 2.05 0.06 2.22 1.10 -0.70 -4.56 121.20 121.40 1jks s ILE 77 Ca 0.00 0.05 0.03 0.00 -0.51 0.00 0.00 60.65 60.21 1jks s ILE 77 Cb -0.05 -3.03 -0.04 0.00 0.15 0.00 0.00 42.46 39.49 1jks s ILE 77 CO -0.00 0.01 0.06 0.42 -2.11 0.00 0.00 174.94 173.32 1jks s THR 78 N -1.17 4.46 -0.19 4.00 -4.23 -1.26 -4.95 115.64 112.30 1jks s THR 78 Ca 0.58 -0.73 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1jks s THR 78 Cb -0.45 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1jks s THR 78 CO 0.59 0.17 0.12 -0.22 -0.54 0.00 0.00 174.62 174.74 1jks s LEU 79 N -2.23 4.19 -0.26 4.79 2.96 -1.26 -0.81 118.68 126.06 1jks s LEU 79 Ca 0.27 0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.28 1jks s LEU 79 Cb -0.12 -2.07 -0.12 0.00 0.50 0.00 0.00 46.19 44.38 1jks s LEU 79 CO 0.20 0.21 -0.33 1.57 -1.32 0.00 0.00 176.35 176.68 1jks n HIS 80 N 3.29 0.06 -3.88 5.38 -0.00 0.56 -4.96 115.22 115.66 1jks n HIS 80 Ca -0.17 0.02 -0.09 0.00 -0.00 0.00 0.00 57.72 57.48 1jks n HIS 80 Cb 0.52 -0.94 -0.05 0.00 -0.00 0.00 0.00 29.99 29.52 1jks n HIS 80 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1jks s GLU 81 N -2.55 1.30 -0.05 1.57 2.02 -1.07 -5.01 118.70 114.92 1jks s GLU 81 Ca -0.37 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.55 1jks s GLU 81 Cb 0.13 0.45 0.03 0.00 0.10 0.00 0.00 34.13 34.84 1jks s GLU 81 CO 0.49 -0.52 0.01 0.08 0.02 0.00 0.00 175.26 175.34 1jks s VAL 82 N -3.94 0.23 0.38 2.63 1.01 -1.26 -0.47 120.40 118.98 1jks s VAL 82 Ca 0.15 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1jks s VAL 82 Cb 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 1jks s VAL 82 CO 0.00 0.20 0.03 -0.31 0.00 0.00 0.00 175.10 175.02 1jks s TYR 83 N 1.57 2.52 -0.00 5.22 1.51 0.03 -2.23 117.35 125.97 1jks s TYR 83 Ca -0.02 -0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 1jks s TYR 83 Cb -0.13 -1.67 0.08 0.00 -0.11 0.00 0.00 41.96 40.12 1jks s TYR 83 CO -0.03 0.42 0.70 -1.83 -1.11 0.00 0.00 175.55 173.70 1jks s GLU 84 N -3.73 1.07 0.18 -0.62 -1.05 0.15 0.13 118.70 114.82 1jks s GLU 84 Ca 0.36 0.02 0.02 0.00 -0.15 0.00 0.00 54.97 55.22 1jks s GLU 84 Cb 0.05 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.23 1jks s GLU 84 CO 0.19 -0.38 0.19 0.27 0.95 0.00 0.00 175.26 176.48 1jks n ASN 85 N 0.49 -0.51 -0.25 0.83 0.23 -0.14 -4.32 115.26 111.58 1jks n ASN 85 Ca -0.17 -2.11 0.18 0.00 -0.53 0.00 0.00 54.58 51.95 1jks n ASN 85 Cb 0.59 1.07 0.49 0.00 -2.08 0.00 0.00 39.78 39.85 1jks n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1jks h LYS 86 N 0.00 0.44 0.00 -3.83 1.79 -2.02 -3.17 116.57 109.78 1jks h LYS 86 Ca -0.13 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1jks h LYS 86 Cb 0.64 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1jks h LYS 86 CO 0.19 0.29 -1.99 0.25 -1.08 0.00 0.00 179.45 177.11 1jks n THR 87 N -4.53 0.48 -3.98 -0.16 -2.24 -1.26 -4.88 114.28 97.71 1jks n THR 87 Ca 0.19 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1jks n THR 87 Cb 0.67 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 1jks n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jks s ASP 88 N -4.54 0.27 -0.14 3.42 1.01 -1.20 -1.01 116.67 114.48 1jks s ASP 88 Ca -0.08 -0.85 -0.02 0.00 0.71 0.00 0.00 52.55 52.32 1jks s ASP 88 Cb 0.09 0.29 -0.02 0.00 1.01 0.00 0.00 42.92 44.29 1jks s ASP 88 CO 0.75 -0.69 -0.08 -0.69 0.21 0.00 0.00 175.17 174.66 1jks s VAL 89 N -3.91 3.51 -0.27 -1.27 1.01 -0.49 -0.97 120.40 118.01 1jks s VAL 89 Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1jks s VAL 89 Cb 0.06 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1jks s VAL 89 CO -0.09 0.51 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 1jks s ILE 90 N 0.26 3.07 -0.20 2.22 1.09 0.12 -0.64 121.20 127.12 1jks s ILE 90 Ca -0.06 -1.09 -0.17 0.00 -1.10 0.00 0.00 60.65 58.23 1jks s ILE 90 Cb -0.15 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.59 1jks s ILE 90 CO 0.04 0.09 0.45 -0.76 -0.10 0.00 0.00 174.94 174.66 1jks s LEU 91 N 1.33 4.15 -0.49 2.97 1.02 -0.03 -0.79 118.68 126.84 1jks s LEU 91 Ca -0.01 0.58 -0.19 0.00 0.02 0.00 0.00 54.13 54.53 1jks s LEU 91 Cb -0.18 -2.60 0.05 0.00 0.02 0.00 0.00 46.19 43.48 1jks s LEU 91 CO -0.02 -0.13 0.60 -0.63 0.02 0.00 0.00 176.35 176.19 1jks s ILE 92 N 1.48 4.90 0.31 -0.59 -1.09 0.38 -0.38 121.20 126.21 1jks s ILE 92 Ca 0.21 -0.41 0.08 0.00 -2.23 0.00 0.00 60.65 58.31 1jks s ILE 92 Cb -0.15 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1jks s ILE 92 CO 0.09 -0.73 0.16 -0.76 -1.23 0.00 0.00 174.94 172.47 1jks s LEU 93 N 2.58 3.44 0.34 2.97 1.43 0.10 -0.32 118.68 129.22 1jks s LEU 93 Ca 0.16 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 1jks s LEU 93 Cb -0.18 -1.97 -0.12 0.00 0.03 0.00 0.00 46.19 43.95 1jks s LEU 93 CO 0.13 -0.20 1.50 1.21 0.23 0.00 0.00 176.35 179.22 1jks n GLU 94 N -1.16 2.60 -2.96 1.70 2.13 0.01 -0.24 120.64 122.72 1jks n GLU 94 Ca -0.04 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.28 1jks n GLU 94 Cb 0.60 -2.65 -0.05 0.00 0.27 0.00 0.00 31.44 29.61 1jks n GLU 94 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1jks s LEU 95 N -1.27 4.13 -0.27 4.31 2.96 -1.26 -4.36 118.68 122.92 1jks s LEU 95 Ca 0.58 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.53 1jks s LEU 95 Cb -0.50 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1jks s LEU 95 CO 0.57 -0.41 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.43 1jks s VAL 96 N 2.36 2.11 -0.43 1.68 1.01 -1.26 -4.98 120.40 120.89 1jks s VAL 96 Ca 0.34 -1.70 0.15 0.00 0.00 0.00 0.00 61.98 60.77 1jks s VAL 96 Cb -0.16 -2.29 0.51 0.00 0.00 0.00 0.00 36.38 34.44 1jks s VAL 96 CO 0.10 -0.12 1.42 0.00 0.00 0.00 0.00 175.10 176.49 1jks n ALA 97 N 4.43 2.86 1.67 5.51 0.00 -1.26 -4.54 120.51 129.18 1jks n ALA 97 Ca -0.11 -1.95 0.14 0.00 0.00 0.00 0.00 53.44 51.52 1jks n ALA 97 Cb 0.42 -0.69 0.65 0.00 0.00 0.00 0.00 19.45 19.83 1jks n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jks n GLY 98 N -0.08 -0.36 0.00 0.00 0.00 0.17 -4.93 105.19 99.98 1jks n GLY 98 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1jks n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jks n GLY 99 N 1.08 -0.78 3.79 -0.02 0.00 -1.24 -4.28 105.19 103.74 1jks n GLY 99 Ca 0.20 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 1jks n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jks s GLU 100 N -1.99 3.79 0.48 1.61 2.02 -1.26 -0.91 118.70 122.44 1jks s GLU 100 Ca 0.00 1.43 0.21 0.00 0.02 0.00 0.00 54.97 56.63 1jks s GLU 100 Cb 0.00 -2.15 1.22 0.00 0.10 0.00 0.00 34.13 33.30 1jks s GLU 100 CO 0.00 -0.45 2.02 1.25 0.02 0.00 0.00 175.26 178.10 1jks h LEU 101 N 1.66 0.00 -0.39 1.80 5.85 -0.45 -1.54 115.31 122.24 1jks h LEU 101 Ca -0.49 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1jks h LEU 101 Cb 1.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1jks h LEU 101 CO 0.59 0.17 0.22 0.15 -0.34 0.00 0.00 178.44 179.23 1jks h PHE 102 N 0.00 0.41 -0.34 1.25 3.57 -1.75 -0.33 116.94 119.76 1jks h PHE 102 Ca -0.00 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1jks h PHE 102 Cb 0.37 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1jks h PHE 102 CO 0.00 0.23 -0.39 -0.44 -2.23 0.00 0.00 178.31 175.49 1jks h ASP 103 N 0.44 0.85 -0.68 0.41 3.32 -1.65 -2.16 116.42 116.96 1jks h ASP 103 Ca 0.16 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1jks h ASP 103 Cb 0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1jks h ASP 103 CO -0.08 1.13 0.33 0.15 -1.72 0.00 0.00 179.24 179.05 1jks h PHE 104 N 0.66 0.99 -0.11 4.55 3.04 -1.03 -2.56 116.94 122.47 1jks h PHE 104 Ca 0.06 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1jks h PHE 104 Cb 0.94 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1jks h PHE 104 CO 0.05 0.74 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.59 1jks h LEU 105 N 0.95 0.25 -2.00 0.59 3.38 -0.98 -2.72 115.31 114.79 1jks h LEU 105 Ca 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jks h LEU 105 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jks h LEU 105 CO -0.03 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1jks h ALA 106 N 1.36 1.00 0.02 1.53 0.00 -0.97 0.09 119.26 122.30 1jks h ALA 106 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.58 1jks h ALA 106 Cb 0.83 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1jks h ALA 106 CO 0.07 0.00 -2.15 0.39 0.00 0.00 0.00 179.25 177.55 1jks n GLU 107 N -3.00 0.68 0.00 0.00 1.02 -1.05 -4.35 120.64 113.93 1jks n GLU 107 Ca -0.01 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1jks n GLU 107 Cb 0.20 -1.63 0.19 0.00 -0.02 0.00 0.00 31.44 30.18 1jks n GLU 107 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jks n LYS 108 N -3.05 0.58 0.00 3.49 5.02 -1.08 -4.97 118.16 118.15 1jks n LYS 108 Ca -0.31 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 1jks n LYS 108 Cb 1.08 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 1jks n LYS 108 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jks n GLU 109 N -0.86 0.00 -3.84 1.97 -0.00 0.01 -4.68 120.64 113.24 1jks n GLU 109 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.14 1jks n GLU 109 Cb 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.72 1jks n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jks s SER 110 N 0.00 0.00 0.17 -1.84 0.15 -1.26 -4.01 113.70 106.92 1jks s SER 110 Ca 0.00 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.43 1jks s SER 110 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1jks s SER 110 CO 0.00 -0.52 0.01 -0.76 1.20 0.00 0.00 173.24 173.17 1jks s LEU 111 N -1.91 3.37 0.84 3.45 1.43 -0.61 -5.05 118.68 120.21 1jks s LEU 111 Ca -0.07 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1jks s LEU 111 Cb -0.02 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.28 1jks s LEU 111 CO -0.02 0.09 1.10 0.42 0.23 0.00 0.00 176.35 178.17 1jks s THR 112 N -1.74 2.80 0.37 5.49 -4.23 -1.26 -4.57 115.64 112.50 1jks s THR 112 Ca 0.28 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1jks s THR 112 Cb -0.09 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.97 1jks s THR 112 CO 0.19 -0.34 1.93 -0.33 -0.54 0.00 0.00 174.62 175.54 1jks h GLU 113 N -1.25 0.45 -0.12 3.99 5.08 -1.96 0.57 114.58 121.34 1jks h GLU 113 Ca -0.48 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1jks h GLU 113 Cb 1.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1jks h GLU 113 CO 0.59 0.45 0.02 0.93 -1.00 0.00 0.00 179.01 180.00 1jks h GLU 114 N 0.44 0.19 -0.70 2.33 4.39 -1.98 0.11 114.58 119.36 1jks h GLU 114 Ca 0.10 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1jks h GLU 114 Cb 0.24 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1jks h GLU 114 CO 0.00 0.39 0.33 0.93 -1.16 0.00 0.00 179.01 179.51 1jks h GLU 115 N -0.03 1.01 -0.32 2.33 5.08 -1.82 -0.85 114.58 119.98 1jks h GLU 115 Ca 0.04 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1jks h GLU 115 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1jks h GLU 115 CO 0.00 0.80 0.09 0.00 -1.00 0.00 0.00 179.01 178.91 1jks h ALA 116 N 1.16 0.42 0.00 3.43 0.00 -0.74 -2.60 119.26 120.93 1jks h ALA 116 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jks h ALA 116 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jks h ALA 116 CO -0.03 0.06 -0.34 1.79 0.00 0.00 0.00 179.25 180.73 1jks h THR 117 N 0.36 1.06 -0.69 0.00 1.35 -0.59 0.16 112.91 114.54 1jks h THR 117 Ca 0.10 -1.25 -0.06 0.00 -0.55 0.00 0.00 66.41 64.65 1jks h THR 117 Cb 0.26 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1jks h THR 117 CO -0.00 0.34 0.21 -0.33 -0.25 0.00 0.00 175.52 175.48 1jks h GLU 118 N 0.00 1.09 -0.01 4.72 4.39 -0.88 0.13 114.58 124.01 1jks h GLU 118 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1jks h GLU 118 Cb 0.69 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1jks h GLU 118 CO 0.04 0.94 -0.03 0.74 -1.16 0.00 0.00 179.01 179.54 1jks h PHE 119 N 1.02 0.05 -0.83 4.33 -1.00 -1.07 -3.29 116.94 116.15 1jks h PHE 119 Ca 0.22 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 61.05 1jks h PHE 119 Cb 0.32 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 1jks h PHE 119 CO 0.02 0.69 0.50 -0.07 -1.61 0.00 0.00 178.31 177.84 1jks h LEU 120 N -0.60 0.77 -1.29 1.54 -0.00 -0.57 -1.58 115.31 113.57 1jks h LEU 120 Ca -0.00 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1jks h LEU 120 Cb 0.69 -0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.17 1jks h LEU 120 CO 0.01 0.48 0.51 0.11 -0.00 0.00 0.00 178.44 179.55 1jks h LYS 121 N 0.90 0.84 -0.17 1.13 1.57 -0.84 0.37 116.57 120.36 1jks h LYS 121 Ca 0.37 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1jks h LYS 121 Cb 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jks h LYS 121 CO -0.19 0.56 -0.49 1.96 -0.57 0.00 0.00 179.45 180.72 1jks h GLN 122 N 0.87 0.64 -0.50 3.15 4.20 -1.39 -1.17 115.11 120.91 1jks h GLN 122 Ca 0.33 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1jks h GLN 122 Cb 0.20 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1jks h GLN 122 CO -0.11 1.07 0.25 0.82 -0.67 0.00 0.00 178.83 180.19 1jks h ILE 123 N 0.31 1.19 -0.79 2.54 2.04 -0.62 -1.26 117.51 120.92 1jks h ILE 123 Ca -0.01 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1jks h ILE 123 Cb 1.11 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1jks h ILE 123 CO 0.11 0.20 0.34 -0.07 0.00 0.00 0.00 178.15 178.73 1jks h LEU 124 N 0.66 1.07 -0.69 1.44 3.38 -0.25 -0.04 115.31 120.88 1jks h LEU 124 Ca 0.17 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1jks h LEU 124 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1jks h LEU 124 CO -0.02 0.93 0.16 0.78 0.09 0.00 0.00 178.44 180.37 1jks h ASN 125 N 1.14 1.06 -0.32 -0.43 2.35 -0.87 0.20 115.58 118.71 1jks h ASN 125 Ca 0.27 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1jks h ASN 125 Cb 0.18 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1jks h ASN 125 CO -0.03 1.03 -0.06 1.23 -1.65 0.00 0.00 177.43 177.95 1jks h GLY 126 N 1.05 0.67 1.73 2.83 0.00 -0.83 -2.32 103.07 106.20 1jks h GLY 126 Ca 0.22 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1jks h GLY 126 CO 0.00 0.49 -0.28 -2.08 0.00 0.00 0.00 176.54 174.67 1jks h VAL 127 N 0.40 1.26 -0.56 4.60 2.07 -0.84 -1.59 116.25 121.59 1jks h VAL 127 Ca 0.08 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1jks h VAL 127 Cb 0.55 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1jks h VAL 127 CO 0.03 0.38 0.31 0.22 0.02 0.00 0.00 177.57 178.53 1jks h TYR 128 N 0.28 0.75 -0.06 1.57 3.20 -0.44 0.18 116.97 122.45 1jks h TYR 128 Ca 0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1jks h TYR 128 Cb 0.65 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1jks h TYR 128 CO 0.01 0.54 0.04 -0.92 -1.64 0.00 0.00 178.16 176.19 1jks h TYR 129 N 0.75 0.08 0.13 -3.82 3.20 -0.99 -0.66 116.97 115.66 1jks h TYR 129 Ca 0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1jks h TYR 129 Cb 0.03 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jks h TYR 129 CO -0.02 0.09 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.45 1jks h LEU 130 N 0.04 -0.18 -1.63 2.82 3.38 -0.94 -2.66 115.31 116.15 1jks h LEU 130 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1jks h LEU 130 Cb 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jks h LEU 130 CO -0.00 -0.12 0.04 0.45 0.09 0.00 0.00 178.44 178.89 1jks h HIS 131 N -0.20 0.27 0.00 1.13 3.86 -0.60 0.03 115.15 119.64 1jks h HIS 131 Ca -0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1jks h HIS 131 Cb 0.16 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1jks h HIS 131 CO -0.08 0.25 -0.11 0.77 0.86 0.00 0.00 177.93 179.62 1jks h SER 132 N 0.27 0.00 -0.69 2.45 0.02 -0.77 0.01 113.55 114.84 1jks h SER 132 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1jks h SER 132 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1jks h SER 132 CO -0.00 0.11 0.00 0.18 -1.14 0.00 0.00 176.83 175.98 1jks n LEU 133 N -3.76 4.60 -3.03 5.07 4.77 -0.40 -4.94 117.00 119.31 1jks n LEU 133 Ca -0.02 -2.32 -0.23 0.00 -0.03 0.00 0.00 56.01 53.42 1jks n LEU 133 Cb 0.22 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1jks n LEU 133 CO 0.30 0.88 -0.00 0.00 -1.33 0.00 0.00 177.39 177.24 1jks n GLN 134 N 1.33 -4.85 -3.75 3.23 1.13 -0.01 -4.85 117.38 109.61 1jks n GLN 134 Ca 0.26 0.90 -0.36 0.00 -1.94 0.00 0.00 57.00 55.85 1jks n GLN 134 Cb 0.82 -5.76 -0.13 0.00 0.11 0.00 0.00 30.24 25.29 1jks n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jks s ILE 135 N -3.17 4.30 -0.15 5.09 1.01 -0.14 0.40 121.20 128.53 1jks s ILE 135 Ca 0.31 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1jks s ILE 135 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1jks s ILE 135 CO 0.38 0.34 0.22 0.00 0.00 0.00 0.00 174.94 175.88 1jks s ALA 136 N 1.61 3.68 -0.03 9.38 0.00 -0.20 -3.64 121.76 132.56 1jks s ALA 136 Ca 0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 1jks s ALA 136 Cb -0.15 -2.25 -0.29 0.00 0.00 0.00 0.00 23.12 20.43 1jks s ALA 136 CO 0.04 0.23 0.96 1.25 0.00 0.00 0.00 175.76 178.24 1jks h HIS 137 N 6.24 0.55 0.00 0.00 2.76 -1.90 -1.03 115.15 121.77 1jks h HIS 137 Ca -0.44 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.36 1jks h HIS 137 Cb 1.17 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1jks h HIS 137 CO 0.63 1.25 0.00 1.19 -1.30 0.00 0.00 177.93 179.70 1jks n PHE 138 N -4.17 0.00 -2.73 5.26 3.72 -1.26 -2.52 117.46 115.76 1jks n PHE 138 Ca -0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1jks n PHE 138 Cb 0.77 -1.23 0.06 0.00 -0.94 0.00 0.00 39.48 38.14 1jks n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jks n ASP 139 N -0.35 0.76 -4.70 4.37 2.03 -1.26 -4.51 116.55 112.88 1jks n ASP 139 Ca 0.00 -2.06 -0.42 0.00 0.52 0.00 0.00 54.79 52.83 1jks n ASP 139 Cb 0.18 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1jks n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jks s LEU 140 N -3.29 4.34 -0.05 -2.67 1.43 -1.26 -4.79 118.68 112.40 1jks s LEU 140 Ca 0.23 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 1jks s LEU 140 Cb 0.34 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 43.10 1jks s LEU 140 CO -0.07 -0.46 1.05 -1.59 0.23 0.00 0.00 176.35 175.52 1jks s LYS 141 N 1.40 0.65 0.42 1.70 -2.85 -1.26 -4.87 119.74 114.92 1jks s LYS 141 Ca 0.56 -0.28 0.18 0.00 -1.00 0.00 0.00 55.97 55.44 1jks s LYS 141 Cb -0.26 0.27 1.10 0.00 -2.06 0.00 0.00 37.83 36.88 1jks s LYS 141 CO 0.27 -0.29 1.83 -1.35 0.10 0.00 0.00 175.35 175.91 1jks h PRO 142 N 2.00 0.39 0.00 1.78 0.11 -1.94 -0.34 132.00 134.00 1jks h PRO 142 Ca -0.19 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 1jks h PRO 142 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jks h PRO 142 CO 0.27 0.26 -0.14 1.49 -0.21 0.00 0.00 178.00 179.67 1jks h GLU 143 N 0.40 0.00 -0.64 1.05 4.81 -1.95 -2.62 114.58 115.62 1jks h GLU 143 Ca 0.50 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1jks h GLU 143 Cb 1.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1jks h GLU 143 CO -0.20 0.14 0.08 0.09 -0.73 0.00 0.00 179.01 178.39 1jks n ASN 144 N -3.71 5.38 -3.96 1.04 5.03 -0.14 -4.77 115.26 114.14 1jks n ASN 144 Ca -0.02 -2.98 -0.30 0.00 0.87 0.00 0.00 54.58 52.15 1jks n ASN 144 Cb 0.26 -0.70 -0.16 0.00 -1.02 0.00 0.00 39.78 38.15 1jks n ASN 144 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jks s ILE 145 N -2.77 1.43 -0.01 2.41 -1.09 -1.01 -1.26 121.20 118.90 1jks s ILE 145 Ca 0.53 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1jks s ILE 145 Cb 0.41 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1jks s ILE 145 CO 0.15 0.18 0.01 -0.04 -1.23 0.00 0.00 174.94 174.01 1jks s MET 146 N 1.50 2.84 0.01 2.79 -1.94 -0.32 -0.25 119.30 123.92 1jks s MET 146 Ca 0.00 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.33 1jks s MET 146 Cb -0.15 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 33.93 1jks s MET 146 CO -0.08 0.64 0.30 -0.51 -0.01 0.00 0.00 175.02 175.36 1jks s LEU 147 N -1.49 4.38 0.05 -0.03 1.02 -0.09 -0.95 118.68 121.58 1jks s LEU 147 Ca 0.19 0.66 -0.16 0.00 0.02 0.00 0.00 54.13 54.84 1jks s LEU 147 Cb -0.12 -2.67 -0.24 0.00 0.02 0.00 0.00 46.19 43.19 1jks s LEU 147 CO 0.10 0.26 1.15 -0.07 0.02 0.00 0.00 176.35 177.80 1jks h LEU 148 N 4.13 0.80 -6.86 1.79 3.38 -1.58 0.48 115.31 117.45 1jks h LEU 148 Ca -0.51 -0.76 -0.17 0.00 0.09 0.00 0.00 57.88 56.54 1jks h LEU 148 Cb 1.20 -0.25 -0.30 0.00 0.09 0.00 0.00 40.66 41.40 1jks h LEU 148 CO 0.65 1.46 -0.47 -0.62 0.09 0.00 0.00 178.44 179.54 1jks s ASP 149 N -7.15 0.23 0.00 -0.43 -1.08 -1.26 -3.35 116.67 103.63 1jks s ASP 149 Ca -0.11 0.49 0.29 0.00 -0.52 0.00 0.00 52.55 52.70 1jks s ASP 149 Cb 0.06 1.02 1.18 0.00 -1.46 0.00 0.00 42.92 43.71 1jks s ASP 149 CO 0.89 -0.27 1.82 -2.11 0.52 0.00 0.00 175.17 176.03 1jks n ARG 150 N 5.37 0.83 -1.06 4.34 1.85 -1.26 -3.90 116.66 122.82 1jks n ARG 150 Ca -0.06 -0.33 -0.20 0.00 -1.00 0.00 0.00 57.85 56.25 1jks n ARG 150 Cb 0.50 -1.49 0.16 0.00 -1.05 0.00 0.00 32.46 30.57 1jks n ARG 150 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1jks n ASN 151 N -0.79 3.67 -4.27 2.89 3.02 -1.26 -4.89 115.26 113.63 1jks n ASN 151 Ca 0.15 -3.39 -0.24 0.00 -0.03 0.00 0.00 54.58 51.07 1jks n ASN 151 Cb 0.29 -0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1jks n ASN 151 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jks s VAL 152 N -2.86 1.68 0.60 2.41 -7.23 -1.25 -5.05 120.40 108.70 1jks s VAL 152 Ca 0.49 -1.45 0.29 0.00 -1.81 0.00 0.00 61.98 59.51 1jks s VAL 152 Cb 0.42 -1.52 0.37 0.00 0.56 0.00 0.00 36.38 36.21 1jks s VAL 152 CO 0.10 0.00 1.98 1.55 -0.31 0.00 0.00 175.10 178.42 1jks h PRO 153 N 4.29 0.00 -2.24 4.82 0.13 -1.94 -3.26 132.00 133.80 1jks h PRO 153 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 1jks h PRO 153 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 1jks h PRO 153 CO 0.41 0.00 -0.93 1.63 -0.23 0.00 0.00 178.00 178.87 1jks n LYS 154 N -3.66 0.98 -1.64 0.86 5.02 -1.26 -5.06 118.16 113.40 1jks n LYS 154 Ca 0.05 -3.58 -0.47 0.00 -2.02 0.00 0.00 58.31 52.29 1jks n LYS 154 Cb 0.50 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1jks n LYS 154 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1jks n PRO 155 N 1.77 1.80 -3.36 1.97 -0.02 -1.23 -4.99 135.00 130.93 1jks n PRO 155 Ca 0.25 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 62.05 1jks n PRO 155 Cb 0.48 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1jks n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jks s ARG 156 N 0.09 3.85 0.28 -0.52 1.81 -1.26 -4.86 118.95 118.34 1jks s ARG 156 Ca 0.74 0.36 0.03 0.00 -1.72 0.00 0.00 55.73 55.14 1jks s ARG 156 Cb -0.73 -2.63 -0.06 0.00 -0.45 0.00 0.00 34.95 31.08 1jks s ARG 156 CO 0.46 0.30 0.05 0.96 -0.68 0.00 0.00 175.30 176.39 1jks s ILE 157 N -1.82 1.00 -0.03 1.52 -5.25 -1.26 -1.46 121.20 113.90 1jks s ILE 157 Ca 0.48 -2.01 -0.02 0.00 -0.99 0.00 0.00 60.65 58.11 1jks s ILE 157 Cb -0.11 -2.61 0.02 0.00 2.95 0.00 0.00 42.46 42.70 1jks s ILE 157 CO 0.20 -0.11 0.07 -0.54 -1.79 0.00 0.00 174.94 172.78 1jks s LYS 158 N -3.91 0.06 0.12 0.37 1.02 -0.12 -4.45 119.74 112.82 1jks s LYS 158 Ca 0.34 0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1jks s LYS 158 Cb 0.07 -0.05 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1jks s LYS 158 CO 0.13 -0.07 0.95 0.42 -0.92 0.00 0.00 175.35 175.87 1jks s ILE 159 N 0.43 4.47 0.31 2.17 1.01 0.30 -1.18 121.20 128.71 1jks s ILE 159 Ca -0.03 2.06 0.02 0.00 0.00 0.00 0.00 60.65 62.70 1jks s ILE 159 Cb -0.05 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 1jks s ILE 159 CO -0.02 0.33 0.08 2.30 0.00 0.00 0.00 174.94 177.63 1jks n ILE 160 N 2.69 0.00 -2.93 2.92 -5.35 -0.39 -1.71 119.36 114.59 1jks n ILE 160 Ca 0.02 -1.70 -0.11 0.00 -0.27 0.00 0.00 62.75 60.69 1jks n ILE 160 Cb 0.49 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.94 1jks n ILE 160 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1jks n ASP 161 N -1.55 -7.71 -1.86 7.28 -0.08 -1.26 -4.85 116.55 106.52 1jks n ASP 161 Ca -0.07 0.44 -0.15 0.00 -1.51 0.00 0.00 54.79 53.49 1jks n ASP 161 Cb 0.44 -5.02 0.14 0.00 2.34 0.00 0.00 41.12 39.02 1jks n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1jks n PHE 162 N -0.36 2.17 0.30 -0.67 3.01 -1.26 -4.55 117.46 116.10 1jks n PHE 162 Ca 0.09 -1.40 0.18 0.00 1.01 0.00 0.00 57.45 57.34 1jks n PHE 162 Cb 0.48 -0.73 0.93 0.00 -0.01 0.00 0.00 39.48 40.16 1jks n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1jks h GLY 163 N 2.04 0.00 -0.61 1.37 0.00 -1.91 -2.54 103.07 101.41 1jks h GLY 163 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1jks h GLY 163 CO 0.77 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 178.32 1jks n LEU 164 N -3.29 1.59 -4.77 3.11 4.77 -1.26 -4.92 117.00 112.23 1jks n LEU 164 Ca -0.02 -0.97 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 1jks n LEU 164 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1jks n LEU 164 CO 0.25 0.32 1.05 0.00 -1.33 0.00 0.00 177.39 177.68 1jks s ALA 165 N -0.75 3.34 0.02 -1.18 0.00 -0.96 -4.66 121.76 117.58 1jks s ALA 165 Ca 0.09 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1jks s ALA 165 Cb 0.07 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1jks s ALA 165 CO 0.11 -1.02 -0.02 -1.01 0.00 0.00 0.00 175.76 173.83 1jks s HIS 166 N -1.20 0.27 -0.15 0.00 3.76 -0.39 -4.80 115.29 112.79 1jks s HIS 166 Ca 0.57 -0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 1jks s HIS 166 Cb -0.42 -0.20 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 1jks s HIS 166 CO 0.55 -0.22 0.78 0.15 -0.85 0.00 0.00 174.74 175.16 1jks s LYS 167 N -1.71 4.32 -1.01 1.40 -0.14 -1.26 -1.03 119.74 120.30 1jks s LYS 167 Ca -0.14 0.95 -0.05 0.00 -1.36 0.00 0.00 55.97 55.37 1jks s LYS 167 Cb -0.08 -3.54 0.26 0.00 -1.68 0.00 0.00 37.83 32.79 1jks s LYS 167 CO -0.02 -0.22 1.03 -0.89 -0.76 0.00 0.00 175.35 174.49 1jks n ILE 168 N 4.50 4.00 0.69 2.17 2.08 0.16 -4.82 119.36 128.14 1jks n ILE 168 Ca 0.02 -5.36 0.12 0.00 0.56 0.00 0.00 62.75 58.10 1jks n ILE 168 Cb 0.50 -2.42 0.23 0.00 -0.75 0.00 0.00 39.64 37.20 1jks n ILE 168 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1jks n ASP 169 N 2.25 0.63 -1.37 4.38 8.00 -1.26 -3.96 116.55 125.22 1jks n ASP 169 Ca 0.24 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 1jks n ASP 169 Cb 0.37 0.07 0.13 0.00 -0.02 0.00 0.00 41.12 41.68 1jks n ASP 169 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jks n PHE 170 N -1.96 1.47 0.00 1.24 3.01 -1.26 -4.96 117.46 114.99 1jks n PHE 170 Ca 0.04 -1.89 0.00 0.00 1.01 0.00 0.00 57.45 56.61 1jks n PHE 170 Cb 0.41 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1jks n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jks n GLY 171 N -0.96 1.81 3.56 1.37 0.00 -1.25 -4.87 105.19 104.84 1jks n GLY 171 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1jks n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jks s ASN 172 N 0.00 -0.47 -0.04 1.61 2.20 -1.26 -4.52 114.94 112.46 1jks s ASN 172 Ca 0.00 -0.19 0.06 0.00 -0.94 0.00 0.00 52.86 51.79 1jks s ASN 172 Cb 0.00 0.64 -0.01 0.00 -2.00 0.00 0.00 41.25 39.88 1jks s ASN 172 CO 0.00 -1.08 -0.23 -1.61 -2.94 0.00 0.00 177.10 171.23 1jks s GLU 173 N -3.80 2.15 -0.52 3.55 0.41 0.18 -4.87 118.70 115.80 1jks s GLU 173 Ca 0.04 -0.83 0.04 0.00 -0.41 0.00 0.00 54.97 53.81 1jks s GLU 173 Cb -0.03 -1.92 0.16 0.00 -1.78 0.00 0.00 34.13 30.56 1jks s GLU 173 CO -0.07 0.41 0.36 0.12 -0.49 0.00 0.00 175.26 175.60 1jks s PHE 174 N -0.30 2.19 -0.11 1.61 5.36 -1.26 0.16 117.98 125.64 1jks s PHE 174 Ca 0.02 -2.70 0.15 0.00 -0.96 0.00 0.00 56.93 53.44 1jks s PHE 174 Cb -0.11 -1.81 0.31 0.00 -0.34 0.00 0.00 43.02 41.06 1jks s PHE 174 CO 0.01 -0.72 1.18 0.36 -1.46 0.00 0.00 175.22 174.59 1jks n LYS 175 N 2.75 0.58 -2.61 10.12 2.85 -1.26 -5.02 118.16 125.58 1jks n LYS 175 Ca 0.20 -1.82 -0.21 0.00 -1.05 0.00 0.00 58.31 55.43 1jks n LYS 175 Cb 0.40 -0.06 0.01 0.00 -0.65 0.00 0.00 35.03 34.72 1jks n LYS 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jks n ASN 176 N -0.25 -6.01 -4.73 -5.58 3.02 -1.26 -4.94 115.26 95.50 1jks n ASN 176 Ca -0.09 -0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.93 1jks n ASN 176 Cb 0.89 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 1jks n ASN 176 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jks s ILE 177 N -3.09 2.35 -0.13 2.41 1.01 -1.26 -4.99 121.20 117.50 1jks s ILE 177 Ca 0.10 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 1jks s ILE 177 Cb -0.04 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.32 1jks s ILE 177 CO 0.12 0.03 0.29 0.12 0.00 0.00 0.00 174.94 175.50 1jks s PHE 178 N 0.79 -0.43 0.00 3.97 2.19 -1.26 -4.90 117.98 118.35 1jks s PHE 178 Ca 0.69 0.96 0.00 0.00 0.33 0.00 0.00 56.93 58.91 1jks s PHE 178 Cb -0.46 0.07 0.00 0.00 -1.31 0.00 0.00 43.02 41.32 1jks s PHE 178 CO 0.36 -0.30 0.00 0.41 1.83 0.00 0.00 175.22 177.52 1jks n GLY 179 N 4.65 2.36 3.68 13.12 0.00 -1.26 -4.89 105.19 122.84 1jks n GLY 179 Ca -0.18 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1jks n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jks s THR 180 N 3.68 4.79 0.26 2.61 2.01 -1.26 -4.50 115.64 123.22 1jks s THR 180 Ca 0.00 1.96 -0.06 0.00 0.31 0.00 0.00 61.69 63.89 1jks s THR 180 Cb 0.00 -4.28 0.41 0.00 0.01 0.00 0.00 72.50 68.64 1jks s THR 180 CO 0.00 -0.02 1.40 -2.65 -0.69 0.00 0.00 174.62 172.66 1jks n PRO 181 N 5.27 -0.08 0.23 4.92 -0.02 -1.26 -0.74 135.00 143.33 1jks n PRO 181 Ca 0.08 1.40 0.15 0.00 -2.02 0.00 0.00 63.50 63.11 1jks n PRO 181 Cb 0.48 -2.10 0.82 0.00 -0.02 0.00 0.00 33.50 32.68 1jks n PRO 181 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jks h GLU 182 N 0.00 0.00 -0.01 -0.52 4.81 -1.93 -3.10 114.58 113.84 1jks h GLU 182 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1jks h GLU 182 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1jks h GLU 182 CO -0.92 0.00 -0.17 1.19 -0.73 0.00 0.00 179.01 178.39 1jks n PHE 183 N -3.97 0.00 -2.80 0.92 3.01 0.09 -4.78 117.46 109.93 1jks n PHE 183 Ca -0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1jks n PHE 183 Cb 0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.63 1jks n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1jks s VAL 184 N -1.19 4.29 0.71 -4.37 -7.23 -0.94 -4.22 120.40 107.45 1jks s VAL 184 Ca 0.07 1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 61.80 1jks s VAL 184 Cb 0.07 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 33.20 1jks s VAL 184 CO 0.21 -0.07 1.07 0.00 -0.31 0.00 0.00 175.10 176.00 1jks s ALA 185 N -1.87 2.68 0.34 1.32 0.00 -1.26 -4.88 121.76 118.08 1jks s ALA 185 Ca 0.56 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1jks s ALA 185 Cb -0.14 -3.11 0.71 0.00 0.00 0.00 0.00 23.12 20.57 1jks s ALA 185 CO 0.19 -1.24 1.89 -1.35 0.00 0.00 0.00 175.76 175.25 1jks h PRO 186 N -0.73 0.79 0.00 0.00 0.11 -1.88 -0.80 132.00 129.50 1jks h PRO 186 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1jks h PRO 186 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jks h PRO 186 CO 0.60 0.52 -0.14 1.05 -0.21 0.00 0.00 178.00 179.82 1jks h GLU 187 N 0.82 0.00 -0.04 1.05 9.09 -1.93 -0.08 114.58 123.49 1jks h GLU 187 Ca 0.41 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.74 1jks h GLU 187 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1jks h GLU 187 CO -0.18 0.14 -0.29 0.82 0.05 0.00 0.00 179.01 179.55 1jks h ILE 188 N 0.00 1.46 -0.75 -1.06 2.04 -1.45 0.36 117.51 118.11 1jks h ILE 188 Ca -0.00 -1.77 0.05 0.00 1.00 0.00 0.00 64.86 64.14 1jks h ILE 188 Cb 0.27 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1jks h ILE 188 CO 0.02 0.50 0.49 0.58 0.00 0.00 0.00 178.15 179.74 1jks h VAL 189 N -0.28 1.05 -0.36 1.67 2.07 -0.95 -1.67 116.25 117.78 1jks h VAL 189 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jks h VAL 189 Cb 0.96 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1jks h VAL 189 CO 0.06 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.39 1jks n ASN 190 N -4.47 2.32 -3.77 0.57 4.13 -0.10 -4.95 115.26 108.98 1jks n ASN 190 Ca 0.11 -1.91 -0.25 0.00 1.68 0.00 0.00 54.58 54.20 1jks n ASN 190 Cb 0.19 -0.24 0.04 0.00 -1.54 0.00 0.00 39.78 38.23 1jks n ASN 190 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jks n TYR 191 N 0.75 -2.19 -3.28 3.10 4.01 -0.63 -5.00 117.16 113.93 1jks n TYR 191 Ca 0.16 0.89 -0.19 0.00 -0.16 0.00 0.00 57.90 58.60 1jks n TYR 191 Cb 0.39 -4.30 -0.01 0.00 -0.31 0.00 0.00 39.34 35.11 1jks n TYR 191 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1jks s GLU 192 N -6.26 2.66 0.30 -0.72 2.02 0.07 -4.91 118.70 111.85 1jks s GLU 192 Ca 0.34 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 1jks s GLU 192 Cb -0.17 -2.57 -0.13 0.00 0.10 0.00 0.00 34.13 31.37 1jks s GLU 192 CO 0.81 -0.27 1.33 -2.30 0.02 0.00 0.00 175.26 174.85 1jks n PRO 193 N -1.73 2.08 -4.60 0.39 -0.02 -1.26 -4.74 135.00 125.12 1jks n PRO 193 Ca 0.06 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.96 1jks n PRO 193 Cb 0.60 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1jks n PRO 193 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jks s LEU 194 N -0.55 2.81 0.00 2.45 1.43 0.12 -4.87 118.68 120.07 1jks s LEU 194 Ca 0.60 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1jks s LEU 194 Cb -0.60 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1jks s LEU 194 CO 0.57 0.27 0.00 0.61 0.23 0.00 0.00 176.35 178.03 1jks n GLY 195 N 1.57 4.47 0.30 -3.19 0.00 -1.26 0.49 105.19 107.57 1jks n GLY 195 Ca -0.16 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.46 1jks n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jks h LEU 196 N 0.00 0.00 -1.84 0.99 3.38 -1.95 -2.57 115.31 113.32 1jks h LEU 196 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1jks h LEU 196 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jks h LEU 196 CO 0.00 0.00 0.25 -0.33 0.09 0.00 0.00 178.44 178.46 1jks h GLU 197 N 0.00 0.19 -0.73 1.13 3.07 -1.95 -2.00 114.58 114.30 1jks h GLU 197 Ca -0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1jks h GLU 197 Cb 0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 1jks h GLU 197 CO 0.00 0.13 0.48 0.00 -1.40 0.00 0.00 179.01 178.22 1jks h ALA 198 N 1.81 1.48 -0.35 3.43 0.00 -1.86 -1.86 119.26 121.92 1jks h ALA 198 Ca 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1jks h ALA 198 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1jks h ALA 198 CO -0.03 0.48 -0.08 -0.44 0.00 0.00 0.00 179.25 179.18 1jks h ASP 199 N 0.99 0.56 -0.15 0.00 3.32 -1.56 -2.54 116.42 117.04 1jks h ASP 199 Ca 0.27 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1jks h ASP 199 Cb -0.12 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1jks h ASP 199 CO -0.06 0.69 -0.19 0.24 -1.72 0.00 0.00 179.24 178.21 1jks h MET 200 N 0.54 0.56 -0.31 3.56 2.86 -1.38 -1.08 114.93 119.68 1jks h MET 200 Ca 0.10 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1jks h MET 200 Cb 0.47 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1jks h MET 200 CO 0.03 0.72 0.10 2.35 1.06 0.00 0.00 176.91 181.16 1jks h TRP 201 N 0.50 0.50 -0.80 -0.22 2.91 -1.22 -2.03 115.95 115.60 1jks h TRP 201 Ca 0.08 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1jks h TRP 201 Cb 0.61 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.07 1jks h TRP 201 CO 0.02 0.51 0.52 0.77 -1.03 0.00 0.00 178.44 179.24 1jks h SER 202 N 0.35 0.84 -0.44 2.65 0.02 -1.04 -0.34 113.55 115.59 1jks h SER 202 Ca 0.10 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1jks h SER 202 Cb 0.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1jks h SER 202 CO -0.00 0.58 0.12 0.40 -1.14 0.00 0.00 176.83 176.78 1jks h ILE 203 N 0.97 1.22 -0.64 3.27 2.04 -0.85 -0.29 117.51 123.24 1jks h ILE 203 Ca 0.32 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1jks h ILE 203 Cb 0.05 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1jks h ILE 203 CO -0.09 0.29 0.20 1.23 0.00 0.00 0.00 178.15 179.78 1jks h GLY 204 N 0.94 1.06 0.91 5.37 0.00 -0.38 0.21 103.07 111.18 1jks h GLY 204 Ca 0.17 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1jks h GLY 204 CO -0.00 0.59 0.10 -2.08 0.00 0.00 0.00 176.54 175.15 1jks h VAL 205 N 0.92 1.21 -0.67 4.60 2.07 -0.77 -1.49 116.25 122.11 1jks h VAL 205 Ca 0.21 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1jks h VAL 205 Cb 0.29 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1jks h VAL 205 CO -0.01 0.23 0.44 0.40 0.02 0.00 0.00 177.57 178.65 1jks h ILE 206 N 0.38 1.14 -0.57 4.57 2.04 -0.80 -1.72 117.51 122.55 1jks h ILE 206 Ca 0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jks h ILE 206 Cb 0.26 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1jks h ILE 206 CO -0.00 0.16 0.31 0.74 0.00 0.00 0.00 178.15 179.36 1jks h THR 207 N 0.88 1.19 -0.50 -0.27 2.02 -0.74 0.61 112.91 116.10 1jks h THR 207 Ca 0.25 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1jks h THR 207 Cb -0.06 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1jks h THR 207 CO -0.07 0.20 0.26 0.22 0.37 0.00 0.00 175.52 176.51 1jks h TYR 208 N 0.76 0.49 -0.43 3.16 5.03 -0.88 -1.98 116.97 123.12 1jks h TYR 208 Ca 0.20 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 1jks h TYR 208 Cb 0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1jks h TYR 208 CO -0.01 0.25 0.09 0.82 -1.32 0.00 0.00 178.16 177.99 1jks h ILE 209 N 0.52 1.24 -0.81 1.81 2.04 -0.89 -1.98 117.51 119.43 1jks h ILE 209 Ca 0.21 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.30 1jks h ILE 209 Cb 0.10 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1jks h ILE 209 CO -0.13 0.29 0.49 -0.07 0.00 0.00 0.00 178.15 178.73 1jks h LEU 210 N 0.57 0.75 0.00 1.44 3.38 -0.50 0.31 115.31 121.26 1jks h LEU 210 Ca 0.13 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1jks h LEU 210 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jks h LEU 210 CO 0.00 0.47 -0.39 -0.07 0.09 0.00 0.00 178.44 178.55 1jks h LEU 211 N 0.88 0.00 0.00 1.67 3.38 -1.24 -1.61 115.31 118.39 1jks h LEU 211 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1jks h LEU 211 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jks h LEU 211 CO -0.19 0.33 -1.00 -1.54 0.09 0.00 0.00 178.44 176.14 1jks n SER 212 N -3.16 4.98 0.00 -0.43 3.41 -0.76 -4.56 113.62 113.10 1jks n SER 212 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1jks n SER 212 Cb 0.67 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1jks n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jks n GLY 213 N 2.70 0.56 3.33 5.00 0.00 0.11 -4.83 105.19 112.07 1jks n GLY 213 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1jks n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jks s ALA 214 N -2.22 2.04 -0.18 4.61 0.00 -1.26 -5.02 121.76 119.72 1jks s ALA 214 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 1jks s ALA 214 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1jks s ALA 214 CO 0.00 0.33 0.34 0.45 0.00 0.00 0.00 175.76 176.88 1jks s SER 215 N -2.36 6.42 0.31 0.00 0.15 -1.26 -3.73 113.70 113.23 1jks s SER 215 Ca 0.13 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 1jks s SER 215 Cb -0.08 -2.20 0.50 0.00 -1.71 0.00 0.00 66.02 62.52 1jks s SER 215 CO 0.06 0.01 1.97 1.55 1.20 0.00 0.00 173.24 178.03 1jks h PRO 216 N 7.07 1.02 -0.02 5.44 0.13 -1.92 -3.29 132.00 140.43 1jks h PRO 216 Ca -0.39 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jks h PRO 216 Cb 1.16 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1jks h PRO 216 CO 0.73 0.68 0.00 1.19 -0.23 0.00 0.00 178.00 180.37 1jks n PHE 217 N -4.42 0.02 -1.68 1.56 3.72 -1.26 -4.49 117.46 110.91 1jks n PHE 217 Ca 0.09 -0.03 -0.46 0.00 -0.05 0.00 0.00 57.45 57.01 1jks n PHE 217 Cb 0.05 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 1jks n PHE 217 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1jks n LEU 218 N 0.40 3.62 0.00 4.37 7.94 -1.24 -4.41 117.00 127.69 1jks n LEU 218 Ca 0.04 0.98 -0.05 0.00 -1.11 0.00 0.00 56.01 55.87 1jks n LEU 218 Cb 0.19 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.71 1jks n LEU 218 CO 0.05 -0.01 0.02 0.61 -1.11 0.00 0.00 177.39 176.95 1jks n GLY 219 N 4.23 2.90 0.08 -3.96 0.00 -1.26 -4.93 105.19 102.25 1jks n GLY 219 Ca 0.20 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1jks n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jks n ASP 220 N -2.05 0.68 -4.17 1.61 8.00 -1.26 -4.79 116.55 114.57 1jks n ASP 220 Ca -0.00 0.38 -0.10 0.00 0.71 0.00 0.00 54.79 55.77 1jks n ASP 220 Cb 0.13 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 1jks n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jks s THR 221 N -3.10 0.32 0.19 -3.53 -4.23 -1.26 -5.05 115.64 98.98 1jks s THR 221 Ca 0.10 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1jks s THR 221 Cb 0.14 -1.95 0.11 0.00 1.34 0.00 0.00 72.50 72.14 1jks s THR 221 CO 0.63 -0.59 1.81 0.11 -0.54 0.00 0.00 174.62 176.05 1jks h LYS 222 N 2.87 0.91 -0.98 3.99 1.57 -1.92 -1.88 116.57 121.14 1jks h LYS 222 Ca -0.35 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1jks h LYS 222 Cb 1.19 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1jks h LYS 222 CO 0.62 0.67 0.64 -0.56 -0.57 0.00 0.00 179.45 180.25 1jks h GLN 223 N 0.90 1.29 -0.38 3.15 -0.00 -1.97 -0.43 115.11 117.66 1jks h GLN 223 Ca 0.23 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1jks h GLN 223 Cb 0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.48 27.19 1jks h GLN 223 CO -0.04 0.86 0.13 0.93 -0.00 0.00 0.00 178.83 180.71 1jks h GLU 224 N 1.33 0.59 -0.36 0.06 5.08 -1.87 -0.41 114.58 119.00 1jks h GLU 224 Ca 0.36 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1jks h GLU 224 Cb -0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1jks h GLU 224 CO -0.08 0.59 0.20 1.15 -1.00 0.00 0.00 179.01 179.88 1jks h THR 225 N 0.47 1.02 -0.67 1.13 2.02 -0.78 -0.23 112.91 115.87 1jks h THR 225 Ca 0.12 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1jks h THR 225 Cb 0.24 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1jks h THR 225 CO -0.01 0.08 0.18 -0.07 0.37 0.00 0.00 175.52 176.07 1jks h LEU 226 N 0.41 0.97 -0.70 2.58 3.38 -0.94 -0.29 115.31 120.73 1jks h LEU 226 Ca 0.14 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1jks h LEU 226 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1jks h LEU 226 CO -0.08 0.92 0.14 0.00 0.09 0.00 0.00 178.44 179.51 1jks h ALA 227 N 1.20 0.92 -0.57 1.53 0.00 -0.68 -1.47 119.26 120.19 1jks h ALA 227 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1jks h ALA 227 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1jks h ALA 227 CO -0.00 0.67 0.22 -0.91 0.00 0.00 0.00 179.25 179.23 1jks h ASN 228 N 1.07 0.79 -0.01 0.00 -0.26 -0.46 -2.24 115.58 114.47 1jks h ASN 228 Ca 0.21 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1jks h ASN 228 Cb 0.42 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1jks h ASN 228 CO 0.01 0.75 0.01 0.58 -1.06 0.00 0.00 177.43 177.72 1jks h VAL 229 N 0.79 1.08 -0.29 2.81 2.07 -0.81 0.18 116.25 122.08 1jks h VAL 229 Ca 0.19 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jks h VAL 229 Cb 0.21 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1jks h VAL 229 CO -0.01 0.06 0.19 -1.28 0.02 0.00 0.00 177.57 176.55 1jks h SER 230 N -0.08 0.31 -0.04 0.57 0.87 -1.15 -1.02 113.55 113.01 1jks h SER 230 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jks h SER 230 Cb 0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1jks h SER 230 CO -0.00 0.22 0.00 0.00 -0.53 0.00 0.00 176.83 176.52 1jks n ALA 231 N -2.50 2.54 -3.79 6.23 0.00 -0.85 -4.93 120.51 117.20 1jks n ALA 231 Ca 0.02 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.69 1jks n ALA 231 Cb 0.09 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1jks n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jks n VAL 232 N 0.52 -3.72 -2.87 0.00 0.31 -0.30 -4.87 118.33 107.39 1jks n VAL 232 Ca 0.18 -0.40 -0.44 0.00 -0.01 0.00 0.00 64.34 63.67 1jks n VAL 232 Cb 0.42 -3.39 -0.01 0.00 -0.91 0.00 0.00 33.84 29.95 1jks n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jks s ASN 233 N -4.15 6.86 0.10 4.52 2.47 0.49 -4.95 114.94 120.28 1jks s ASN 233 Ca 0.14 -2.51 -0.10 0.00 0.42 0.00 0.00 52.86 50.82 1jks s ASN 233 Cb -0.07 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1jks s ASN 233 CO 0.83 -0.95 0.22 -0.72 -3.72 0.00 0.00 177.10 172.76 1jks s TYR 234 N 2.49 0.11 -0.00 0.43 1.13 -1.26 -4.62 117.35 115.63 1jks s TYR 234 Ca 0.41 -0.53 -0.12 0.00 -1.41 0.00 0.00 57.07 55.42 1jks s TYR 234 Cb -0.02 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.84 1jks s TYR 234 CO -0.03 -0.57 0.25 -2.00 -2.51 0.00 0.00 175.55 170.68 1jks s GLU 235 N -3.86 0.62 -1.21 -3.49 2.56 -1.26 -5.07 118.70 106.99 1jks s GLU 235 Ca 0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 54.97 54.56 1jks s GLU 235 Cb 0.04 0.27 0.14 0.00 2.00 0.00 0.00 34.13 36.58 1jks s GLU 235 CO -0.11 -0.17 1.49 -0.06 -0.56 0.00 0.00 175.26 175.85 1jks s PHE 236 N -1.52 3.28 -0.01 5.30 0.08 -1.26 -4.98 117.98 118.87 1jks s PHE 236 Ca -0.13 -1.93 -0.36 0.00 0.12 0.00 0.00 56.93 54.63 1jks s PHE 236 Cb -0.05 -4.43 -0.15 0.00 -0.57 0.00 0.00 43.02 37.82 1jks s PHE 236 CO 0.02 -1.52 1.60 0.39 -0.10 0.00 0.00 175.22 175.62 1jks n GLU 237 N 6.45 1.61 -0.25 0.44 -0.58 -1.26 -4.72 120.64 122.34 1jks n GLU 237 Ca 0.39 0.59 0.08 0.00 -0.42 0.00 0.00 57.16 57.80 1jks n GLU 237 Cb 0.44 -2.31 0.34 0.00 -0.57 0.00 0.00 31.44 29.34 1jks n GLU 237 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1jks h ASP 238 N 6.42 0.72 -0.28 1.62 3.32 -1.93 0.18 116.42 126.47 1jks h ASP 238 Ca -0.47 0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.67 1jks h ASP 238 Cb 1.30 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1jks h ASP 238 CO 0.88 0.42 0.19 -0.08 -1.72 0.00 0.00 179.24 178.94 1jks h GLU 239 N 0.80 0.05 0.00 3.56 4.81 -2.01 0.70 114.58 122.49 1jks h GLU 239 Ca 0.39 -0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.24 1jks h GLU 239 Cb 0.44 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 1jks h GLU 239 CO -0.16 0.04 -2.42 0.66 -0.73 0.00 0.00 179.01 176.40 1jks n TYR 240 N -4.47 0.03 -0.21 0.92 0.53 -0.43 -4.65 117.16 108.88 1jks n TYR 240 Ca 0.03 0.01 0.08 0.00 -1.02 0.00 0.00 57.90 57.00 1jks n TYR 240 Cb 0.32 -1.01 0.20 0.00 -1.03 0.00 0.00 39.34 37.82 1jks n TYR 240 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1jks n PHE 241 N -3.00 0.61 -0.02 -0.72 3.01 0.50 -4.68 117.46 113.15 1jks n PHE 241 Ca -0.39 -0.48 0.16 0.00 1.01 0.00 0.00 57.45 57.75 1jks n PHE 241 Cb 1.08 -0.02 0.60 0.00 -0.01 0.00 0.00 39.48 41.13 1jks n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jks h SER 242 N 2.76 0.16 -0.32 4.37 4.64 -1.06 -1.66 113.55 122.44 1jks h SER 242 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jks h SER 242 Cb 0.81 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1jks h SER 242 CO 0.00 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.64 1jks n ASN 243 N -4.44 3.70 -4.81 4.97 5.03 -1.26 -4.98 115.26 113.47 1jks n ASN 243 Ca 0.09 -2.65 -0.38 0.00 0.87 0.00 0.00 54.58 52.51 1jks n ASN 243 Cb 0.47 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1jks n ASN 243 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jks s THR 244 N -2.18 5.00 0.60 3.41 2.01 -0.62 -5.05 115.64 118.81 1jks s THR 244 Ca 0.37 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 63.10 1jks s THR 244 Cb 0.27 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1jks s THR 244 CO 0.12 0.53 1.23 -0.94 -0.69 0.00 0.00 174.62 174.87 1jks s SER 245 N -0.81 5.11 0.41 3.53 1.04 -1.26 -4.91 113.70 116.82 1jks s SER 245 Ca 0.25 2.44 0.10 0.00 0.48 0.00 0.00 55.95 59.22 1jks s SER 245 Cb -0.17 -2.60 0.88 0.00 0.10 0.00 0.00 66.02 64.22 1jks s SER 245 CO 0.14 -1.65 1.98 0.00 0.98 0.00 0.00 173.24 174.69 1jks h ALA 246 N 0.87 1.62 -0.51 5.32 0.00 -1.97 -2.25 119.26 122.34 1jks h ALA 246 Ca -0.51 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1jks h ALA 246 Cb 1.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jks h ALA 246 CO 0.55 0.28 -0.01 -0.07 0.00 0.00 0.00 179.25 180.00 1jks h LEU 247 N 0.25 0.84 -0.50 0.00 3.38 -1.99 0.17 115.31 117.47 1jks h LEU 247 Ca 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1jks h LEU 247 Cb 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jks h LEU 247 CO 0.01 0.92 0.15 0.00 0.09 0.00 0.00 178.44 179.60 1jks h ALA 248 N 1.17 0.66 -0.59 1.53 0.00 -1.79 -1.15 119.26 119.10 1jks h ALA 248 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1jks h ALA 248 Cb 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1jks h ALA 248 CO 0.02 0.32 0.10 0.87 0.00 0.00 0.00 179.25 180.57 1jks h LYS 249 N 0.68 0.95 -0.48 0.00 1.57 -1.17 -2.24 116.57 115.89 1jks h LYS 249 Ca 0.16 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jks h LYS 249 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1jks h LYS 249 CO -0.00 0.88 0.31 0.22 -0.57 0.00 0.00 179.45 180.29 1jks h ASP 250 N 0.90 0.53 -0.09 0.86 1.82 -0.58 0.11 116.42 119.96 1jks h ASP 250 Ca 0.18 -0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.84 1jks h ASP 250 Cb 0.39 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 1jks h ASP 250 CO 0.01 0.38 -0.07 0.15 -1.61 0.00 0.00 179.24 178.10 1jks h PHE 251 N 0.63 -0.17 -0.39 0.28 3.04 -0.87 -1.67 116.94 117.79 1jks h PHE 251 Ca 0.18 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1jks h PHE 251 Cb -0.06 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1jks h PHE 251 CO -0.05 -0.11 0.18 0.82 -2.02 0.00 0.00 178.31 177.13 1jks h ILE 252 N -0.08 1.18 -0.52 1.41 2.04 -1.10 -2.86 117.51 117.57 1jks h ILE 252 Ca 0.06 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.48 1jks h ILE 252 Cb 0.17 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1jks h ILE 252 CO -0.14 0.19 0.35 -0.09 0.00 0.00 0.00 178.15 178.46 1jks h ARG 253 N 0.50 0.37 -0.00 2.37 2.43 -0.44 -0.64 114.38 118.96 1jks h ARG 253 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jks h ARG 253 Cb 0.14 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1jks h ARG 253 CO -0.02 0.24 -0.06 0.54 -1.51 0.00 0.00 179.97 179.17 1jks n ARG 254 N -4.47 0.38 -0.10 0.20 1.74 -0.66 -3.64 116.66 110.10 1jks n ARG 254 Ca 0.08 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 1jks n ARG 254 Cb 0.31 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.14 1jks n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jks n LEU 255 N -1.26 1.83 -3.58 0.55 4.77 -0.37 -1.59 117.00 117.35 1jks n LEU 255 Ca 0.12 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1jks n LEU 255 Cb 0.28 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1jks n LEU 255 CO 0.25 0.71 2.42 0.18 -1.33 0.00 0.00 177.39 179.62 1jks n LEU 256 N -2.96 7.68 -4.31 2.23 4.77 -0.50 -4.29 117.00 119.63 1jks n LEU 256 Ca -0.36 -4.71 -0.33 0.00 -0.03 0.00 0.00 56.01 50.59 1jks n LEU 256 Cb 0.98 -1.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.48 1jks n LEU 256 CO 0.28 1.81 -0.48 -0.69 -1.33 0.00 0.00 177.39 176.98 1jks s VAL 257 N -0.02 2.72 0.11 4.08 1.01 -1.26 -4.95 120.40 122.10 1jks s VAL 257 Ca 0.51 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1jks s VAL 257 Cb 0.16 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1jks s VAL 257 CO -0.06 0.53 1.75 0.50 0.00 0.00 0.00 175.10 177.82 1jks h LYS 258 N 6.88 0.24 -6.34 2.72 3.64 -1.96 -3.40 116.57 118.35 1jks h LYS 258 Ca -0.26 -0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.53 1jks h LYS 258 Cb 1.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1jks h LYS 258 CO 0.54 0.18 1.08 0.34 -2.27 0.00 0.00 179.45 179.33 1jks s ASP 259 N -5.38 6.42 0.46 4.20 -1.08 -1.26 -4.76 116.67 115.26 1jks s ASP 259 Ca -0.13 1.34 0.17 0.00 -0.52 0.00 0.00 52.55 53.41 1jks s ASP 259 Cb 0.08 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 40.12 1jks s ASP 259 CO 0.69 -1.27 1.98 -0.65 0.52 0.00 0.00 175.17 176.43 1jks h PRO 260 N 10.49 0.30 0.00 4.34 0.11 -1.97 -1.52 132.00 143.75 1jks h PRO 260 Ca -0.30 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1jks h PRO 260 Cb 1.13 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1jks h PRO 260 CO 1.03 0.20 -0.22 0.87 -0.21 0.00 0.00 178.00 179.66 1jks h LYS 261 N 0.31 0.00 -0.01 1.05 1.57 -1.94 -2.93 116.57 114.62 1jks h LYS 261 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1jks h LYS 261 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1jks h LYS 261 CO -0.07 0.22 -0.50 1.63 -0.57 0.00 0.00 179.45 180.16 1jks n LYS 262 N -3.49 0.68 -2.56 3.15 5.02 -0.59 -4.95 118.16 115.43 1jks n LYS 262 Ca -0.00 -0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 55.44 1jks n LYS 262 Cb 0.39 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1jks n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jks s ARG 263 N -2.66 3.93 0.41 1.97 3.52 -1.10 -5.00 118.95 120.02 1jks s ARG 263 Ca 0.17 1.40 -0.26 0.00 -0.13 0.00 0.00 55.73 56.91 1jks s ARG 263 Cb 0.18 -2.24 -0.09 0.00 -1.56 0.00 0.00 34.95 31.24 1jks s ARG 263 CO 0.63 -0.32 1.36 -1.64 -0.81 0.00 0.00 175.30 174.52 1jks s MET 264 N -3.00 3.96 0.72 5.12 -1.94 -0.62 -5.02 119.30 118.51 1jks s MET 264 Ca 0.64 2.28 -0.03 0.00 -1.71 0.00 0.00 55.69 56.88 1jks s MET 264 Cb -0.18 -2.79 0.11 0.00 2.01 0.00 0.00 34.83 33.98 1jks s MET 264 CO 0.22 -0.55 1.00 0.95 -0.01 0.00 0.00 175.02 176.63 1jks s THR 265 N -1.21 2.24 0.29 2.05 -4.23 -1.26 -4.87 115.64 108.64 1jks s THR 265 Ca 0.56 -0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1jks s THR 265 Cb -0.41 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1jks s THR 265 CO 0.53 0.00 1.84 -0.29 -0.54 0.00 0.00 174.62 176.16 1jks h ILE 266 N -0.56 1.22 -0.61 2.99 6.09 -1.95 -0.72 117.51 123.97 1jks h ILE 266 Ca -0.40 -0.78 -0.09 0.00 -1.37 0.00 0.00 64.86 62.23 1jks h ILE 266 Cb 1.28 0.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 1jks h ILE 266 CO 0.45 0.29 0.02 1.56 -3.07 0.00 0.00 178.15 177.40 1jks h GLN 267 N 0.77 1.07 -0.55 2.19 4.20 -1.98 -2.55 115.11 118.25 1jks h GLN 267 Ca 0.17 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1jks h GLN 267 Cb 0.27 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1jks h GLN 267 CO -0.00 1.03 0.34 -0.44 -0.67 0.00 0.00 178.83 179.09 1jks h ASP 268 N 0.97 0.66 -0.44 1.46 3.32 -1.78 -2.68 116.42 117.92 1jks h ASP 268 Ca 0.18 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1jks h ASP 268 Cb 0.53 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1jks h ASP 268 CO 0.03 0.51 0.28 0.28 -1.72 0.00 0.00 179.24 178.62 1jks h SER 269 N 0.75 0.53 1.50 6.45 0.02 -0.87 -1.02 113.55 120.92 1jks h SER 269 Ca 0.20 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1jks h SER 269 Cb -0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1jks h SER 269 CO -0.04 0.41 0.00 -0.07 -1.14 0.00 0.00 176.83 175.99 1jks h LEU 270 N 0.62 0.00 -0.90 5.07 3.38 -1.13 -3.08 115.31 119.26 1jks h LEU 270 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jks h LEU 270 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jks h LEU 270 CO -0.03 0.00 -0.49 0.00 0.09 0.00 0.00 178.44 178.01 1jks n GLN 271 N -3.00 1.24 -1.88 1.13 1.13 -0.67 -3.78 117.38 111.55 1jks n GLN 271 Ca 0.03 -0.89 -0.41 0.00 -1.94 0.00 0.00 57.00 53.78 1jks n GLN 271 Cb 0.42 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 1jks n GLN 271 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1jks s HIS 272 N -2.40 2.82 0.55 1.08 2.46 -0.48 -4.59 115.29 114.74 1jks s HIS 272 Ca 0.17 0.99 0.34 0.00 0.47 0.00 0.00 55.06 57.02 1jks s HIS 272 Cb 0.17 -3.95 1.49 0.00 -0.13 0.00 0.00 32.58 30.16 1jks s HIS 272 CO 0.56 -3.03 1.82 -1.35 -2.47 0.00 0.00 174.74 170.27 1jks h PRO 273 N 4.39 0.00 0.00 2.88 0.11 -1.91 0.34 132.00 137.81 1jks h PRO 273 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1jks h PRO 273 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1jks h PRO 273 CO 0.74 0.00 -0.49 2.35 -0.21 0.00 0.00 178.00 180.39 1jks h TRP 274 N 0.00 0.00 0.00 0.65 7.01 -1.90 -3.36 115.95 118.36 1jks h TRP 274 Ca 0.46 0.00 -0.43 0.00 2.11 0.00 0.00 58.89 61.03 1jks h TRP 274 Cb 1.97 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.96 1jks h TRP 274 CO 0.00 0.49 -2.46 -0.89 -2.79 0.00 0.00 178.44 172.79 1jks n ILE 275 N -3.54 1.44 -1.70 2.65 2.08 0.15 -4.97 119.36 115.47 1jks n ILE 275 Ca -0.00 -0.40 -0.57 0.00 0.56 0.00 0.00 62.75 62.33 1jks n ILE 275 Cb 0.60 -1.76 -0.07 0.00 -0.75 0.00 0.00 39.64 37.65 1jks n ILE 275 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1jks n LYS 276 N -3.99 1.15 0.00 0.38 3.00 0.97 -5.01 118.16 114.67 1jks n LYS 276 Ca -0.50 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1jks n LYS 276 Cb 0.89 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1jks n LYS 276 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1jks n PRO 277 N 5.52 0.75 0.00 1.64 -0.04 -1.26 -4.87 135.00 136.73 1jks n PRO 277 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1jks n PRO 277 Cb 0.13 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1jks n PRO 277 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jks n PRO 291 N 0.00 0.00 0.00 0.54 -0.02 -1.26 -5.14 135.00 129.13 1jks n PRO 291 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1jks n PRO 291 Cb 0.15 -0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.71 1jks n PRO 291 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jks n GLN 292 N -0.65 0.80 -4.16 -0.52 0.00 -1.26 -4.68 117.38 106.91 1jks n GLN 292 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 57.00 56.04 1jks n GLN 292 Cb 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 30.24 28.65 1jks n GLN 292 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1jks s PHE 293 N -2.62 3.21 -2.00 2.61 0.08 -1.26 -4.77 117.98 113.22 1jks s PHE 293 Ca 0.17 0.05 0.18 0.00 0.12 0.00 0.00 56.93 57.46 1jks s PHE 293 Cb 0.18 -1.98 1.09 0.00 -0.57 0.00 0.00 43.02 41.74 1jks s PHE 293 CO 0.63 0.22 1.49 0.39 -0.10 0.00 0.00 175.22 177.85