#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sji s LEU 4 N 0.00 3.66 0.00 0.99 2.34 -1.26 -4.82 118.68 119.59 1sji s LEU 4 Ca 0.00 0.86 0.00 0.00 0.06 0.00 0.00 54.13 55.05 1sji s LEU 4 Cb 0.00 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.09 1sji s LEU 4 CO 0.00 -1.33 0.00 0.59 -1.06 0.00 0.00 176.35 174.55 1sji n ASN 5 N 8.42 0.00 0.00 1.48 3.02 -1.26 -5.15 115.26 121.77 1sji n ASN 5 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1sji n ASN 5 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1sji n ASN 5 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1sji n PHE 6 N 0.00 0.00 -0.29 3.10 -0.00 -1.26 -5.10 117.46 113.91 1sji n PHE 6 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 1sji n PHE 6 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 39.48 39.68 1sji n PHE 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1sji n PRO 7 N 0.00 -3.04 0.00 3.97 -0.04 -1.26 -5.11 135.00 129.52 1sji n PRO 7 Ca 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1sji n PRO 7 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1sji n PRO 7 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sji n THR 8 N -4.85 0.00 0.00 0.52 -1.04 -1.26 -5.13 114.28 102.52 1sji n THR 8 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1sji n THR 8 Cb 0.40 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1sji n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sji n TYR 9 N -2.47 0.00 1.66 -1.42 9.36 -1.26 -5.07 117.16 117.96 1sji n TYR 9 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 1sji n TYR 9 Cb 0.00 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 1sji n TYR 9 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1sji n ASP 10 N 0.00 0.51 0.00 2.98 3.85 -1.26 -4.88 116.55 117.74 1sji n ASP 10 Ca 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1sji n ASP 10 Cb 0.00 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 1sji n ASP 10 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sji n GLY 11 N 0.54 1.74 3.55 6.12 0.00 -1.26 -4.96 105.19 110.92 1sji n GLY 11 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1sji n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sji n LYS 12 N -1.39 0.08 -3.43 1.61 5.02 -1.26 -4.97 118.16 113.82 1sji n LYS 12 Ca 0.00 0.09 -0.44 0.00 -2.02 0.00 0.00 58.31 55.94 1sji n LYS 12 Cb 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 35.03 32.84 1sji n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sji s ASP 13 N -1.91 5.96 -0.26 4.39 1.11 -1.26 -4.92 116.67 119.78 1sji s ASP 13 Ca 0.67 -1.81 -0.01 0.00 0.18 0.00 0.00 52.55 51.58 1sji s ASP 13 Cb -0.29 -2.12 -0.17 0.00 1.07 0.00 0.00 42.92 41.42 1sji s ASP 13 CO 0.57 -0.77 -0.22 0.54 1.18 0.00 0.00 175.17 176.48 1sji n ARG 14 N 5.09 0.65 -2.63 8.23 3.00 -1.26 -4.86 116.66 124.87 1sji n ARG 14 Ca -0.11 0.17 -0.43 0.00 -0.01 0.00 0.00 57.85 57.47 1sji n ARG 14 Cb 0.41 -1.53 -0.02 0.00 0.00 0.00 0.00 32.46 31.32 1sji n ARG 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1sji s VAL 15 N -2.52 4.65 0.06 1.55 0.11 -1.26 -4.81 120.40 118.17 1sji s VAL 15 Ca -0.35 1.95 0.05 0.00 -2.93 0.00 0.00 61.98 60.71 1sji s VAL 15 Cb 0.10 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1sji s VAL 15 CO 0.59 -0.09 -0.08 0.54 -3.33 0.00 0.00 175.10 172.74 1sji s VAL 16 N 2.69 3.54 0.13 2.04 0.11 -0.85 -4.91 120.40 123.15 1sji s VAL 16 Ca 0.48 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 1sji s VAL 16 Cb -0.18 -2.61 -0.06 0.00 -1.53 0.00 0.00 36.38 32.00 1sji s VAL 16 CO 0.13 0.23 1.03 -0.55 -3.33 0.00 0.00 175.10 172.62 1sji s SER 17 N -1.87 7.37 -0.21 3.54 0.15 -1.26 -1.53 113.70 119.90 1sji s SER 17 Ca 0.20 1.92 -0.08 0.00 0.70 0.00 0.00 55.95 58.69 1sji s SER 17 Cb -0.11 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1sji s SER 17 CO 0.12 -0.16 0.09 -0.22 1.20 0.00 0.00 173.24 174.26 1sji s LEU 18 N -0.02 3.83 0.24 3.45 2.96 0.11 -4.82 118.68 124.43 1sji s LEU 18 Ca 0.49 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1sji s LEU 18 Cb -0.26 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1sji s LEU 18 CO 0.32 0.11 -0.05 0.42 -1.32 0.00 0.00 176.35 175.84 1sji s THR 19 N 0.73 1.37 0.09 3.68 -4.23 -1.26 -4.40 115.64 111.62 1sji s THR 19 Ca 0.05 -2.09 0.22 0.00 -1.18 0.00 0.00 61.69 58.69 1sji s THR 19 Cb -0.13 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.58 1sji s THR 19 CO 0.02 -0.37 1.77 1.05 -0.54 0.00 0.00 174.62 176.55 1sji h GLU 20 N 2.42 0.00 -0.26 3.99 4.11 -1.98 -0.08 114.58 122.77 1sji h GLU 20 Ca -0.39 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.12 1sji h GLU 20 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1sji h GLU 20 CO 0.65 0.27 0.20 -0.22 0.07 0.00 0.00 179.01 179.98 1sji h LYS 21 N 0.00 0.00 0.00 1.06 3.64 -2.01 -3.16 116.57 116.10 1sji h LYS 21 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sji h LYS 21 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1sji h LYS 21 CO 0.04 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 177.49 1sji n ASN 22 N -4.35 0.62 -0.23 4.20 2.04 -1.07 -4.83 115.26 111.64 1sji n ASN 22 Ca 0.03 -1.26 -0.02 0.00 -0.44 0.00 0.00 54.58 52.90 1sji n ASN 22 Cb 0.35 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.69 1sji n ASN 22 CO 0.00 0.00 0.00 0.15 -0.44 0.00 0.00 177.26 176.97 1sji h PHE 23 N 0.00 0.71 -0.20 -2.53 -0.00 -0.98 -1.27 116.94 112.67 1sji h PHE 23 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.97 1sji h PHE 23 Cb 0.66 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 1sji h PHE 23 CO 0.00 0.36 0.03 0.87 -0.00 0.00 0.00 178.31 179.57 1sji h LYS 24 N 0.72 0.33 -0.23 1.11 1.57 -1.87 -1.01 116.57 117.19 1sji h LYS 24 Ca 0.29 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1sji h LYS 24 Cb 0.15 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1sji h LYS 24 CO -0.16 0.49 0.03 1.96 -0.57 0.00 0.00 179.45 181.20 1sji h GLN 25 N 0.13 0.11 0.00 3.15 7.50 -1.86 -0.50 115.11 123.64 1sji h GLN 25 Ca 0.06 -0.01 -0.10 0.00 0.50 0.00 0.00 58.65 59.10 1sji h GLN 25 Cb 0.32 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1sji h GLN 25 CO 0.00 0.07 -0.52 -0.39 -1.50 0.00 0.00 178.83 176.49 1sji h VAL 26 N 0.11 0.78 0.22 -0.54 -1.51 -1.13 -3.30 116.25 110.88 1sji h VAL 26 Ca 0.11 -2.11 -0.01 0.00 -1.23 0.00 0.00 66.70 63.45 1sji h VAL 26 Cb 0.12 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1sji h VAL 26 CO -0.16 0.44 -0.11 0.25 -1.23 0.00 0.00 177.57 176.77 1sji h LEU 27 N 0.00 -0.25 -5.08 4.19 6.46 -0.87 -2.95 115.31 116.81 1sji h LEU 27 Ca -0.01 -0.22 -0.62 0.00 -0.12 0.00 0.00 57.88 56.91 1sji h LEU 27 Cb 1.37 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.30 1sji h LEU 27 CO 0.06 0.10 2.49 0.29 -0.62 0.00 0.00 178.44 180.76 1sji n LYS 28 N -5.08 3.72 0.00 1.25 4.01 -0.22 -3.00 118.16 118.84 1sji n LYS 28 Ca -0.09 -2.55 0.00 0.00 -0.51 0.00 0.00 58.31 55.16 1sji n LYS 28 Cb 0.24 -2.58 0.00 0.00 -0.51 0.00 0.00 35.03 32.18 1sji n LYS 28 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1sji n LYS 29 N 2.49 0.54 -4.25 1.97 4.76 -1.12 -4.88 118.16 117.67 1sji n LYS 29 Ca 0.66 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.93 1sji n LYS 29 Cb 0.35 -0.14 -0.11 0.00 -1.84 0.00 0.00 35.03 33.29 1sji n LYS 29 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1sji s TYR 30 N -0.67 1.36 -0.11 2.13 2.02 -1.16 -5.04 117.35 115.88 1sji s TYR 30 Ca 0.00 -0.63 -0.18 0.00 -0.37 0.00 0.00 57.07 55.89 1sji s TYR 30 Cb 0.00 -0.70 -0.16 0.00 -0.40 0.00 0.00 41.96 40.71 1sji s TYR 30 CO 0.00 0.14 0.57 0.22 -1.57 0.00 0.00 175.55 174.91 1sji h ASP 31 N 3.20 -0.04 -2.99 2.29 1.82 -1.85 -3.43 116.42 115.42 1sji h ASP 31 Ca -0.38 -0.55 -0.64 0.00 -0.39 0.00 0.00 57.03 55.07 1sji h ASP 31 Cb 1.20 0.01 -0.10 0.00 0.68 0.00 0.00 39.33 41.11 1sji h ASP 31 CO 0.56 0.70 -0.50 -0.69 -1.61 0.00 0.00 179.24 177.70 1sji s VAL 32 N -2.32 5.33 -0.11 2.25 1.01 -0.85 -4.43 120.40 121.29 1sji s VAL 32 Ca -0.12 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1sji s VAL 32 Cb -0.01 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1sji s VAL 32 CO 0.44 0.53 -0.23 -0.76 0.00 0.00 0.00 175.10 175.07 1sji s LEU 33 N -0.34 2.08 -0.33 3.92 1.43 -0.92 -0.84 118.68 123.69 1sji s LEU 33 Ca 0.11 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1sji s LEU 33 Cb -0.12 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1sji s LEU 33 CO 0.01 0.15 0.14 0.00 0.23 0.00 0.00 176.35 176.87 1sji s LEU 35 N 1.53 2.80 -0.31 0.00 1.02 0.73 -1.86 118.68 122.58 1sji s LEU 35 Ca 0.02 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.66 1sji s LEU 35 Cb -0.18 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 1sji s LEU 35 CO 0.05 0.06 0.35 -0.47 0.02 0.00 0.00 176.35 176.36 1sji s TYR 36 N 0.98 3.22 -0.69 0.29 5.04 -1.02 -1.61 117.35 123.56 1sji s TYR 36 Ca -0.01 0.15 -0.18 0.00 -2.44 0.00 0.00 57.07 54.58 1sji s TYR 36 Cb -0.15 -2.62 0.12 0.00 0.35 0.00 0.00 41.96 39.67 1sji s TYR 36 CO -0.01 -0.34 0.81 -0.47 -1.34 0.00 0.00 175.55 174.21 1sji s TYR 37 N 2.02 3.10 0.53 4.97 5.04 0.29 -1.09 117.35 132.22 1sji s TYR 37 Ca 0.13 -1.15 0.09 0.00 -2.44 0.00 0.00 57.07 53.69 1sji s TYR 37 Cb -0.16 -4.06 0.07 0.00 0.35 0.00 0.00 41.96 38.15 1sji s TYR 37 CO 0.11 -1.32 0.73 -3.38 -1.34 0.00 0.00 175.55 170.35 1sji s HIS 38 N 2.45 1.80 -0.02 4.97 -3.43 -0.87 0.80 115.29 120.98 1sji s HIS 38 Ca 0.17 -0.64 -0.04 0.00 -0.80 0.00 0.00 55.06 53.75 1sji s HIS 38 Cb -0.18 -2.25 -0.02 0.00 -1.43 0.00 0.00 32.58 28.69 1sji s HIS 38 CO 0.01 -0.95 0.36 1.05 -2.00 0.00 0.00 174.74 173.22 1sji h GLU 39 N 0.31 -0.16 0.00 -0.38 9.09 -1.93 -2.48 114.58 119.04 1sji h GLU 39 Ca -0.33 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.09 1sji h GLU 39 Cb 1.29 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1sji h GLU 39 CO 0.42 -0.10 0.00 0.43 0.05 0.00 0.00 179.01 179.81 1sji n SER 40 N -3.23 0.14 0.00 3.06 7.64 -1.26 -4.23 113.62 115.73 1sji n SER 40 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1sji n SER 40 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1sji n SER 40 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1sji n VAL 41 N 0.00 0.00 -1.19 0.44 0.24 -1.26 -5.01 118.33 111.55 1sji n VAL 41 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 1sji n VAL 41 Cb 0.00 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 1sji n VAL 41 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1sji n SER 42 N -1.70 0.00 -0.34 -1.34 2.88 -1.26 -4.76 113.62 107.10 1sji n SER 42 Ca 0.00 -1.00 0.26 0.00 -1.33 0.00 0.00 58.87 56.80 1sji n SER 42 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1sji n SER 42 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1sji n SER 43 N 0.00 0.04 -3.40 -3.46 3.41 -1.26 -2.53 113.62 106.42 1sji n SER 43 Ca 0.00 0.62 -0.14 0.00 -0.26 0.00 0.00 58.87 59.09 1sji n SER 43 Cb 0.41 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1sji n SER 43 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sji s ASP 44 N -4.11 0.95 0.14 4.04 3.84 -1.26 -5.11 116.67 115.16 1sji s ASP 44 Ca -0.03 -0.22 -0.08 0.00 -0.00 0.00 0.00 52.55 52.22 1sji s ASP 44 Cb 0.15 0.75 0.19 0.00 -1.38 0.00 0.00 42.92 42.64 1sji s ASP 44 CO 0.47 -0.34 0.90 1.17 -0.00 0.00 0.00 175.17 177.37 1sji n LYS 45 N 5.34 -0.10 -1.41 2.11 3.00 -1.05 -3.14 118.16 122.91 1sji n LYS 45 Ca -0.03 0.89 -0.24 0.00 -0.00 0.00 0.00 58.31 58.93 1sji n LYS 45 Cb 0.49 -1.33 -0.08 0.00 0.00 0.00 0.00 35.03 34.11 1sji n LYS 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1sji n VAL 46 N -4.89 3.32 -1.04 3.15 0.24 -1.26 0.66 118.33 118.51 1sji n VAL 46 Ca 0.07 -2.73 0.00 0.00 -2.04 0.00 0.00 64.34 59.64 1sji n VAL 46 Cb 0.25 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 1sji n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sji n ALA 47 N 1.24 0.00 0.83 2.33 0.00 -1.19 -4.68 120.51 119.05 1sji n ALA 47 Ca 0.48 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.02 1sji n ALA 47 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1sji n ALA 47 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sji n GLN 48 N 0.00 1.51 0.04 0.00 7.27 0.21 -3.96 117.38 122.45 1sji n GLN 48 Ca 0.00 -0.95 -0.17 0.00 0.07 0.00 0.00 57.00 55.95 1sji n GLN 48 Cb 0.10 -1.36 -0.14 0.00 2.41 0.00 0.00 30.24 31.25 1sji n GLN 48 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1sji h LYS 49 N 2.21 0.23 -0.42 3.69 1.79 -1.76 -2.87 116.57 119.44 1sji h LYS 49 Ca 0.00 -0.40 -0.13 0.00 -2.18 0.00 0.00 60.65 57.95 1sji h LYS 49 Cb 0.65 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1sji h LYS 49 CO 0.00 1.07 -0.23 1.96 -1.08 0.00 0.00 179.45 181.17 1sji h GLN 50 N 0.06 0.89 -0.58 3.15 4.20 -1.86 -2.13 115.11 118.84 1sji h GLN 50 Ca -0.29 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 57.94 1sji h GLN 50 Cb 2.03 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 1sji h GLN 50 CO 0.14 1.05 0.04 0.35 -0.67 0.00 0.00 178.83 179.74 1sji h PHE 51 N 0.72 1.08 0.00 2.96 3.57 -1.71 -1.16 116.94 122.39 1sji h PHE 51 Ca 0.09 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1sji h PHE 51 Cb 0.80 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1sji h PHE 51 CO 0.06 0.95 -0.05 1.96 -2.23 0.00 0.00 178.31 179.00 1sji h GLN 52 N 0.89 0.00 0.30 1.11 7.50 -1.25 0.40 115.11 124.06 1sji h GLN 52 Ca 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 1sji h GLN 52 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1sji h GLN 52 CO 0.02 0.05 -0.15 1.25 -1.50 0.00 0.00 178.83 178.50 1sji h LEU 53 N 0.00 -0.35 -0.82 1.46 7.12 -1.02 -1.78 115.31 119.93 1sji h LEU 53 Ca -0.00 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.82 1sji h LEU 53 Cb 0.29 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1sji h LEU 53 CO 0.01 0.08 0.00 0.29 -0.13 0.00 0.00 178.44 178.68 1sji n LYS 54 N -5.09 0.12 -0.11 1.25 5.02 -0.47 -2.43 118.16 116.44 1sji n LYS 54 Ca -0.09 0.51 -0.19 0.00 -2.02 0.00 0.00 58.31 56.52 1sji n LYS 54 Cb 0.27 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 1sji n LYS 54 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sji n GLU 55 N -2.04 0.67 0.15 1.97 2.13 0.13 -3.71 120.64 119.94 1sji n GLU 55 Ca 0.00 0.17 -0.00 0.00 0.66 0.00 0.00 57.16 57.99 1sji n GLU 55 Cb 0.10 -1.55 0.23 0.00 0.27 0.00 0.00 31.44 30.49 1sji n GLU 55 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1sji h ILE 56 N -0.02 1.37 0.65 6.31 6.09 -1.10 -1.97 117.51 128.83 1sji h ILE 56 Ca -0.56 -1.78 -0.03 0.00 -1.37 0.00 0.00 64.86 61.13 1sji h ILE 56 Cb 1.91 1.94 0.01 0.00 0.47 0.00 0.00 36.82 41.15 1sji h ILE 56 CO -0.07 0.51 -0.31 0.58 -3.07 0.00 0.00 178.15 175.79 1sji h VAL 57 N 0.03 0.09 -0.04 2.19 2.07 -1.69 -1.84 116.25 117.07 1sji h VAL 57 Ca -0.00 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1sji h VAL 57 Cb 0.93 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1sji h VAL 57 CO 0.07 0.01 0.14 -0.07 0.02 0.00 0.00 177.57 177.74 1sji h LEU 58 N -1.18 0.00 0.15 2.57 3.38 -1.60 0.27 115.31 118.89 1sji h LEU 58 Ca -0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 1sji h LEU 58 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1sji h LEU 58 CO 0.15 0.00 -1.46 -0.08 0.09 0.00 0.00 178.44 177.14 1sji h GLU 59 N 0.00 0.31 -0.01 1.13 4.57 -1.32 -2.52 114.58 116.75 1sji h GLU 59 Ca 0.02 -0.53 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1sji h GLU 59 Cb 0.29 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1sji h GLU 59 CO -0.00 1.21 -0.03 1.25 -1.18 0.00 0.00 179.01 180.26 1sji h LEU 60 N 0.08 0.03 -0.45 1.64 5.85 0.28 -2.47 115.31 120.27 1sji h LEU 60 Ca -0.22 -0.67 0.09 0.00 0.84 0.00 0.00 57.88 57.92 1sji h LEU 60 Cb 2.03 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.96 1sji h LEU 60 CO 0.19 0.70 -0.19 0.58 -0.34 0.00 0.00 178.44 179.38 1sji h VAL 61 N -0.63 0.41 -0.91 1.05 2.07 -0.87 -0.29 116.25 117.08 1sji h VAL 61 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1sji h VAL 61 Cb 0.70 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1sji h VAL 61 CO 0.01 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.18 1sji h ALA 62 N 1.25 1.62 0.56 1.67 0.00 -1.50 -1.95 119.26 120.91 1sji h ALA 62 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sji h ALA 62 Cb 0.43 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sji h ALA 62 CO -0.52 0.19 -0.27 0.37 0.00 0.00 0.00 179.25 179.02 1sji h GLN 63 N 0.91 -0.73 -0.02 0.00 4.15 -0.57 -2.40 115.11 116.44 1sji h GLN 63 Ca 0.42 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.93 1sji h GLN 63 Cb 0.41 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1sji h GLN 63 CO -0.19 -0.45 -0.24 0.28 -1.93 0.00 0.00 178.83 176.30 1sji h VAL 64 N -0.84 0.44 -0.08 2.39 2.07 -1.05 -2.01 116.25 117.17 1sji h VAL 64 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1sji h VAL 64 Cb 0.61 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1sji h VAL 64 CO 0.13 0.00 0.03 0.18 0.02 0.00 0.00 177.57 177.93 1sji n LEU 65 N -5.37 2.36 -0.13 2.57 4.32 -0.77 -4.33 117.00 115.65 1sji n LEU 65 Ca -0.04 -1.19 -0.07 0.00 -0.02 0.00 0.00 56.01 54.68 1sji n LEU 65 Cb 0.28 -0.53 0.01 0.00 -1.62 0.00 0.00 43.42 41.57 1sji n LEU 65 CO 0.21 0.41 1.03 -0.08 -1.22 0.00 0.00 177.39 177.75 1sji h GLU 66 N 0.27 0.50 0.00 3.23 4.81 -0.82 -2.29 114.58 120.28 1sji h GLU 66 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sji h GLU 66 Cb 0.90 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1sji h GLU 66 CO 0.08 0.33 0.00 -2.39 -0.73 0.00 0.00 179.01 176.30 1sji n HIS 67 N -4.84 0.00 -2.79 0.92 1.44 -1.26 -4.76 115.22 103.93 1sji n HIS 67 Ca 0.01 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.51 1sji n HIS 67 Cb 0.05 -0.01 0.03 0.00 0.12 0.00 0.00 29.99 30.18 1sji n HIS 67 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1sji s LYS 68 N -2.03 2.72 -0.99 -1.40 3.01 -0.86 -5.02 119.74 115.18 1sji s LYS 68 Ca 0.24 -0.76 -0.02 0.00 -1.01 0.00 0.00 55.97 54.43 1sji s LYS 68 Cb 0.11 -2.54 0.31 0.00 -1.01 0.00 0.00 37.83 34.70 1sji s LYS 68 CO 0.19 -0.53 1.94 -3.47 0.51 0.00 0.00 175.35 173.98 1sji n ASP 69 N -2.21 7.43 -4.19 2.83 -0.08 -1.26 -4.89 116.55 114.18 1sji n ASP 69 Ca 0.06 -3.69 -0.26 0.00 -1.51 0.00 0.00 54.79 49.39 1sji n ASP 69 Cb 0.59 -1.16 -0.16 0.00 2.34 0.00 0.00 41.12 42.74 1sji n ASP 69 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1sji s ILE 70 N -4.30 1.54 -0.13 5.18 1.01 -1.26 -2.00 121.20 121.23 1sji s ILE 70 Ca 0.44 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1sji s ILE 70 Cb 0.26 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1sji s ILE 70 CO -0.21 0.44 -0.06 -0.83 0.00 0.00 0.00 174.94 174.28 1sji s GLY 71 N -0.35 1.68 -0.16 6.18 0.00 -0.02 -4.98 107.32 109.68 1sji s GLY 71 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 1sji s GLY 71 CO -0.00 -0.21 -0.11 -1.36 0.00 0.00 0.00 173.10 171.42 1sji s PHE 72 N 0.12 2.85 0.05 1.90 0.40 -1.26 0.03 117.98 122.07 1sji s PHE 72 Ca -0.02 -0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 55.43 1sji s PHE 72 Cb -0.14 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1sji s PHE 72 CO 0.03 -0.38 0.03 0.54 0.70 0.00 0.00 175.22 176.14 1sji s VAL 73 N 0.80 0.19 -0.02 -0.44 0.11 -0.78 -2.00 120.40 118.25 1sji s VAL 73 Ca -0.04 -1.53 0.05 0.00 -2.93 0.00 0.00 61.98 57.52 1sji s VAL 73 Cb -0.15 -1.31 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1sji s VAL 73 CO 0.01 -0.85 -0.16 -0.04 -3.33 0.00 0.00 175.10 170.73 1sji s MET 74 N -3.55 1.49 -0.04 1.54 -1.94 -0.58 -2.43 119.30 113.79 1sji s MET 74 Ca 0.03 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1sji s MET 74 Cb 0.05 -1.38 -0.00 0.00 2.01 0.00 0.00 34.83 35.50 1sji s MET 74 CO -0.09 0.31 -0.16 0.54 -0.01 0.00 0.00 175.02 175.60 1sji s VAL 75 N -0.20 1.37 -0.24 -6.03 0.11 -0.25 0.04 120.40 115.19 1sji s VAL 75 Ca 0.02 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.19 1sji s VAL 75 Cb -0.08 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1sji s VAL 75 CO 0.00 0.39 0.56 -0.62 -3.33 0.00 0.00 175.10 172.11 1sji s ASP 76 N -0.01 6.53 0.53 3.54 -1.08 -1.26 -2.05 116.67 122.87 1sji s ASP 76 Ca -0.02 0.64 0.28 0.00 -0.52 0.00 0.00 52.55 52.93 1sji s ASP 76 Cb -0.11 -2.31 1.51 0.00 -1.46 0.00 0.00 42.92 40.56 1sji s ASP 76 CO 0.02 -0.28 2.10 0.00 0.52 0.00 0.00 175.17 177.53 1sji h ALA 77 N 7.78 1.32 0.00 3.66 0.00 -1.65 0.10 119.26 130.47 1sji h ALA 77 Ca -0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sji h ALA 77 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sji h ALA 77 CO 0.74 0.12 -0.56 1.17 0.00 0.00 0.00 179.25 180.73 1sji n LYS 78 N -3.67 0.36 0.16 0.00 3.00 -1.26 -4.16 118.16 112.59 1sji n LYS 78 Ca -0.02 0.31 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 1sji n LYS 78 Cb 0.21 -1.32 0.38 0.00 0.00 0.00 0.00 35.03 34.31 1sji n LYS 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1sji h LYS 79 N -0.74 0.11 -2.20 1.64 2.10 -1.93 -3.34 116.57 112.21 1sji h LYS 79 Ca 0.00 -0.03 -0.60 0.00 -2.00 0.00 0.00 60.65 58.02 1sji h LYS 79 Cb 0.56 -0.01 -0.42 0.00 -0.90 0.00 0.00 32.23 31.46 1sji h LYS 79 CO 0.00 0.36 -0.65 0.39 -2.00 0.00 0.00 179.45 177.55 1sji n GLU 80 N -4.20 2.30 0.00 0.07 -0.58 0.02 -4.89 120.64 113.36 1sji n GLU 80 Ca -0.02 -4.50 0.14 0.00 -0.42 0.00 0.00 57.16 52.37 1sji n GLU 80 Cb 0.33 -2.14 0.63 0.00 -0.57 0.00 0.00 31.44 29.70 1sji n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sji n ALA 81 N 0.95 2.69 0.03 0.62 0.00 -1.26 -3.36 120.51 120.18 1sji n ALA 81 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1sji n ALA 81 Cb 0.42 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1sji n ALA 81 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sji h LYS 82 N 1.29 -0.17 -0.77 0.00 1.63 -1.93 -3.23 116.57 113.39 1sji h LYS 82 Ca 0.00 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1sji h LYS 82 Cb 0.35 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.95 1sji h LYS 82 CO 0.00 -0.07 0.44 -0.07 -3.45 0.00 0.00 179.45 176.31 1sji h LEU 83 N -1.04 0.66 -1.10 5.20 4.07 -1.98 -1.80 115.31 119.32 1sji h LEU 83 Ca -0.02 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1sji h LEU 83 Cb 0.18 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1sji h LEU 83 CO 0.03 0.41 -0.11 0.00 -1.08 0.00 0.00 178.44 177.69 1sji h ALA 84 N 1.40 1.25 -0.07 1.53 0.00 -1.74 0.60 119.26 122.23 1sji h ALA 84 Ca 0.35 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1sji h ALA 84 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sji h ALA 84 CO -0.20 0.49 -0.64 -0.22 0.00 0.00 0.00 179.25 178.68 1sji h LYS 85 N 0.47 0.26 0.00 0.00 3.64 -1.39 0.94 116.57 120.50 1sji h LYS 85 Ca 0.09 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1sji h LYS 85 Cb 0.48 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1sji h LYS 85 CO 0.03 0.82 -0.81 0.87 -2.27 0.00 0.00 179.45 178.08 1sji h LYS 86 N 0.19 0.00 0.00 1.90 1.57 -0.99 -3.20 116.57 116.03 1sji h LYS 86 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1sji h LYS 86 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1sji h LYS 86 CO 0.10 0.25 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.48 1sji h LEU 87 N 0.00 0.00 -0.12 2.94 4.07 0.26 -3.48 115.31 118.98 1sji h LEU 87 Ca -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1sji h LEU 87 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1sji h LEU 87 CO 0.04 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 1sji n GLY 88 N 1.21 0.68 3.66 0.83 0.00 0.53 -5.02 105.19 107.07 1sji n GLY 88 Ca 0.02 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 1sji n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sji s PHE 89 N -2.12 3.33 0.00 1.61 0.08 0.30 -4.88 117.98 116.29 1sji s PHE 89 Ca 0.00 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.43 1sji s PHE 89 Cb 0.00 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1sji s PHE 89 CO 0.00 0.02 0.00 -0.40 -0.10 0.00 0.00 175.22 174.74 1sji n ASP 90 N 4.40 2.04 -4.39 1.36 3.85 -1.26 -4.49 116.55 118.06 1sji n ASP 90 Ca -0.12 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.53 1sji n ASP 90 Cb 0.52 0.40 -0.09 0.00 -1.35 0.00 0.00 41.12 40.60 1sji n ASP 90 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1sji s GLU 91 N -0.84 2.91 0.47 0.11 2.56 -1.26 -5.03 118.70 117.61 1sji s GLU 91 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 54.97 53.48 1sji s GLU 91 Cb 0.00 -4.00 -0.07 0.00 2.00 0.00 0.00 34.13 32.06 1sji s GLU 91 CO 0.00 -0.90 1.39 -1.21 -0.56 0.00 0.00 175.26 173.97 1sji s GLU 92 N 1.61 3.59 0.00 4.30 0.41 -1.26 -2.85 118.70 124.50 1sji s GLU 92 Ca 0.04 2.32 0.00 0.00 -0.41 0.00 0.00 54.97 56.92 1sji s GLU 92 Cb -0.22 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1sji s GLU 92 CO 0.07 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.39 1sji n GLY 93 N 0.62 0.50 3.89 -1.39 0.00 0.24 -4.96 105.19 104.09 1sji n GLY 93 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1sji n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sji s SER 94 N -2.59 6.55 -0.27 1.61 0.01 -0.99 -4.80 113.70 113.23 1sji s SER 94 Ca 0.00 0.69 -0.06 0.00 1.31 0.00 0.00 55.95 57.89 1sji s SER 94 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1sji s SER 94 CO 0.00 0.08 0.03 -0.22 0.41 0.00 0.00 173.24 173.54 1sji s LEU 95 N -2.42 3.49 -0.05 2.44 1.98 -1.26 0.11 118.68 122.97 1sji s LEU 95 Ca 0.39 -0.59 0.03 0.00 -2.89 0.00 0.00 54.13 51.07 1sji s LEU 95 Cb -0.13 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.87 1sji s LEU 95 CO 0.22 -0.12 -0.13 -0.31 -1.89 0.00 0.00 176.35 174.11 1sji s TYR 96 N 1.49 2.73 0.16 5.38 1.51 -0.63 -0.26 117.35 127.74 1sji s TYR 96 Ca 0.03 -0.14 0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1sji s TYR 96 Cb -0.16 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1sji s TYR 96 CO 0.00 0.20 -0.22 0.14 -1.11 0.00 0.00 175.55 174.57 1sji s VAL 97 N -0.73 2.08 -0.26 0.71 -7.23 0.37 -0.20 120.40 115.14 1sji s VAL 97 Ca 0.11 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1sji s VAL 97 Cb -0.11 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1sji s VAL 97 CO 0.01 -0.14 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.83 1sji s LEU 98 N -2.47 3.28 -0.17 1.32 1.43 0.28 0.47 118.68 122.82 1sji s LEU 98 Ca 0.16 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1sji s LEU 98 Cb -0.08 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1sji s LEU 98 CO 0.07 -0.23 -0.10 -0.75 0.23 0.00 0.00 176.35 175.58 1sji s LYS 99 N 1.18 1.95 7.46 1.70 2.20 -0.46 -2.18 119.74 131.60 1sji s LYS 99 Ca -0.06 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1sji s LYS 99 Cb -0.19 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1sji s LYS 99 CO -0.06 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1sji n GLY 100 N 4.77 3.04 0.87 5.54 0.00 -1.26 -1.97 105.19 116.17 1sji n GLY 100 Ca -0.15 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1sji n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sji n ASP 101 N 9.61 3.77 -4.43 1.61 5.75 -1.26 -4.98 116.55 126.62 1sji n ASP 101 Ca 0.00 -2.85 -0.33 0.00 -0.01 0.00 0.00 54.79 51.59 1sji n ASP 101 Cb 0.00 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 39.46 1sji n ASP 101 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1sji s ARG 102 N -2.53 3.49 -0.26 0.11 1.81 -0.83 -5.10 118.95 115.63 1sji s ARG 102 Ca 0.39 -0.61 -0.07 0.00 -1.72 0.00 0.00 55.73 53.72 1sji s ARG 102 Cb 0.31 -2.75 -0.02 0.00 -0.45 0.00 0.00 34.95 32.04 1sji s ARG 102 CO 0.10 0.25 0.07 0.99 -0.68 0.00 0.00 175.30 176.03 1sji s THR 103 N 0.31 4.20 -0.21 0.02 2.01 -1.26 -1.35 115.64 119.35 1sji s THR 103 Ca -0.07 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1sji s THR 103 Cb -0.15 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1sji s THR 103 CO 0.04 0.27 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.60 1sji s ILE 104 N 1.58 3.78 0.03 1.82 1.01 0.18 -4.91 121.20 124.68 1sji s ILE 104 Ca 0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1sji s ILE 104 Cb -0.16 -2.72 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 1sji s ILE 104 CO 0.03 0.42 0.52 -0.70 0.00 0.00 0.00 174.94 175.21 1sji s GLU 105 N 1.20 4.15 -0.48 2.79 2.12 -1.26 0.14 118.70 127.36 1sji s GLU 105 Ca 0.03 0.62 -0.18 0.00 0.36 0.00 0.00 54.97 55.81 1sji s GLU 105 Cb -0.15 -3.26 0.05 0.00 0.26 0.00 0.00 34.13 31.04 1sji s GLU 105 CO 0.01 0.58 0.51 0.12 -0.54 0.00 0.00 175.26 175.94 1sji s PHE 106 N -0.85 3.14 -0.84 5.30 5.36 0.65 -4.94 117.98 125.80 1sji s PHE 106 Ca 0.28 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1sji s PHE 106 Cb -0.18 -3.27 0.33 0.00 -0.34 0.00 0.00 43.02 39.56 1sji s PHE 106 CO 0.17 -0.88 1.47 -0.25 -1.46 0.00 0.00 175.22 174.26 1sji n ASP 107 N 5.73 6.18 -4.35 6.13 10.43 -1.26 -4.48 116.55 134.92 1sji n ASP 107 Ca -0.09 -3.69 -0.30 0.00 2.57 0.00 0.00 54.79 53.28 1sji n ASP 107 Cb 0.45 -0.91 -0.07 0.00 1.84 0.00 0.00 41.12 42.43 1sji n ASP 107 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sji n GLY 108 N -0.15 3.43 3.63 0.44 0.00 -1.19 -2.87 105.19 108.48 1sji n GLY 108 Ca 0.41 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1sji n GLY 108 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sji n GLU 109 N -1.13 2.37 -1.77 1.61 2.13 0.17 -4.85 120.64 119.17 1sji n GLU 109 Ca -0.15 0.77 -0.32 0.00 0.66 0.00 0.00 57.16 58.12 1sji n GLU 109 Cb 0.63 -3.13 -0.06 0.00 0.27 0.00 0.00 31.44 29.15 1sji n GLU 109 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1sji n PHE 110 N 9.78 2.38 -4.39 4.31 7.35 -1.26 -4.76 117.46 130.86 1sji n PHE 110 Ca 0.26 -1.49 -0.24 0.00 -0.76 0.00 0.00 57.45 55.22 1sji n PHE 110 Cb 0.43 -2.33 -0.11 0.00 0.35 0.00 0.00 39.48 37.81 1sji n PHE 110 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sji s ALA 111 N 9.56 2.34 0.31 3.13 0.00 -1.26 -5.02 121.76 130.82 1sji s ALA 111 Ca 0.66 -1.64 0.16 0.00 0.00 0.00 0.00 51.96 51.14 1sji s ALA 111 Cb 0.04 -0.24 0.75 0.00 0.00 0.00 0.00 23.12 23.66 1sji s ALA 111 CO 0.14 0.30 1.80 0.00 0.00 0.00 0.00 175.76 178.00 1sji h ALA 112 N 2.97 1.21 0.10 0.00 0.00 -1.91 -2.09 119.26 119.54 1sji h ALA 112 Ca -0.43 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 53.87 1sji h ALA 112 Cb 1.22 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sji h ALA 112 CO 0.53 0.47 -1.17 0.38 0.00 0.00 0.00 179.25 179.46 1sji h ASP 113 N 0.00 0.64 -0.36 0.00 2.03 -1.96 -1.66 116.42 115.11 1sji h ASP 113 Ca -0.00 -0.60 -0.02 0.00 -0.73 0.00 0.00 57.03 55.68 1sji h ASP 113 Cb 0.75 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.03 1sji h ASP 113 CO 0.05 1.43 0.17 0.58 -1.03 0.00 0.00 179.24 180.43 1sji h VAL 114 N 0.20 1.17 -0.17 4.15 2.07 -1.87 -2.14 116.25 119.66 1sji h VAL 114 Ca -0.14 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.71 1sji h VAL 114 Cb 1.85 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1sji h VAL 114 CO 0.21 0.18 -0.59 -0.07 0.02 0.00 0.00 177.57 177.32 1sji h LEU 115 N 0.44 0.61 -0.50 2.57 3.38 -1.36 -0.84 115.31 119.62 1sji h LEU 115 Ca 0.12 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1sji h LEU 115 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sji h LEU 115 CO -0.01 1.06 0.26 0.58 0.09 0.00 0.00 178.44 180.42 1sji h VAL 116 N 0.41 1.18 0.32 1.22 2.07 -1.27 -1.38 116.25 118.80 1sji h VAL 116 Ca -0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1sji h VAL 116 Cb 1.14 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1sji h VAL 116 CO 0.11 0.19 -0.26 -0.08 0.02 0.00 0.00 177.57 177.55 1sji h GLU 117 N 0.66 -0.54 -0.78 1.57 4.81 -1.22 -2.03 114.58 117.04 1sji h GLU 117 Ca 0.17 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.57 1sji h GLU 117 Cb 0.07 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.44 1sji h GLU 117 CO -0.03 -0.36 -0.33 0.35 -0.73 0.00 0.00 179.01 177.91 1sji h PHE 118 N -0.56 -0.88 -0.37 0.92 3.57 -1.17 -2.02 116.94 116.42 1sji h PHE 118 Ca -0.04 0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1sji h PHE 118 Cb 0.47 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1sji h PHE 118 CO -0.10 -0.39 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.31 1sji h LEU 119 N -0.07 0.74 -1.43 0.59 -0.00 -1.24 -2.35 115.31 111.54 1sji h LEU 119 Ca 0.31 -0.26 -0.05 0.00 -0.00 0.00 0.00 57.88 57.88 1sji h LEU 119 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1sji h LEU 119 CO -0.82 0.94 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.25 1sji h LEU 120 N 0.64 0.00 -0.01 1.67 3.38 -0.64 -0.36 115.31 119.99 1sji h LEU 120 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sji h LEU 120 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1sji h LEU 120 CO 0.06 0.23 -0.33 -0.67 0.09 0.00 0.00 178.44 177.82 1sji n ASP 121 N -3.63 0.34 -0.10 -0.43 4.64 -0.98 -3.48 116.55 112.92 1sji n ASP 121 Ca -0.01 -0.01 -0.13 0.00 -1.38 0.00 0.00 54.79 53.26 1sji n ASP 121 Cb 0.36 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.35 1sji n ASP 121 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1sji n LEU 122 N -1.49 2.48 0.13 -2.67 0.00 -0.81 -4.14 117.00 110.50 1sji n LEU 122 Ca 0.06 -0.09 0.10 0.00 0.00 0.00 0.00 56.01 56.08 1sji n LEU 122 Cb 0.34 -0.52 0.48 0.00 0.00 0.00 0.00 43.42 43.72 1sji n LEU 122 CO 0.32 0.76 0.79 2.30 0.00 0.00 0.00 177.39 181.57 1sji n ILE 123 N -3.00 1.11 -1.75 1.96 -6.64 -0.21 -4.73 119.36 106.09 1sji n ILE 123 Ca -0.34 0.56 -0.30 0.00 -1.77 0.00 0.00 62.75 60.91 1sji n ILE 123 Cb 0.90 -1.53 0.08 0.00 -1.44 0.00 0.00 39.64 37.65 1sji n ILE 123 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1sji s GLU 124 N -3.40 2.17 0.08 6.28 2.56 -1.23 -5.02 118.70 120.14 1sji s GLU 124 Ca -0.00 0.39 -0.27 0.00 0.00 0.00 0.00 54.97 55.09 1sji s GLU 124 Cb 0.06 -1.95 -0.06 0.00 2.00 0.00 0.00 34.13 34.19 1sji s GLU 124 CO 0.22 -1.50 0.85 -0.51 -0.56 0.00 0.00 175.26 173.76 1sji s ASP 125 N -4.25 7.34 0.56 -1.70 1.11 -1.26 -4.98 116.67 113.50 1sji s ASP 125 Ca 0.61 1.60 0.34 0.00 0.18 0.00 0.00 52.55 55.28 1sji s ASP 125 Cb -0.12 -2.52 1.58 0.00 1.07 0.00 0.00 42.92 42.92 1sji s ASP 125 CO 0.52 -0.01 2.07 1.55 1.18 0.00 0.00 175.17 180.48 1sji h PRO 126 N 5.58 0.00 -5.15 8.23 0.13 -1.93 -3.40 132.00 135.46 1sji h PRO 126 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1sji h PRO 126 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 1sji h PRO 126 CO 0.71 0.04 -0.84 0.08 -0.23 0.00 0.00 178.00 177.76 1sji s VAL 127 N -3.85 2.32 -0.17 1.56 1.01 -1.26 -4.24 120.40 115.77 1sji s VAL 127 Ca -0.01 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1sji s VAL 127 Cb 0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1sji s VAL 127 CO 0.53 0.53 0.62 -1.61 0.00 0.00 0.00 175.10 175.16 1sji s GLU 128 N 0.97 4.25 -0.21 2.72 2.02 -0.50 -4.93 118.70 123.01 1sji s GLU 128 Ca -0.03 0.62 -0.14 0.00 0.02 0.00 0.00 54.97 55.44 1sji s GLU 128 Cb -0.15 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1sji s GLU 128 CO -0.04 -0.15 0.31 0.42 0.02 0.00 0.00 175.26 175.82 1sji s ILE 129 N 1.61 5.26 -0.73 -1.63 -1.09 -1.26 -0.52 121.20 122.84 1sji s ILE 129 Ca 0.29 0.52 -0.15 0.00 -2.23 0.00 0.00 60.65 59.08 1sji s ILE 129 Cb -0.16 -3.65 0.18 0.00 -1.58 0.00 0.00 42.46 37.25 1sji s ILE 129 CO 0.11 0.30 0.71 -0.63 -1.23 0.00 0.00 174.94 174.20 1sji s ILE 130 N 1.14 5.38 -1.92 2.92 1.01 -0.90 -4.94 121.20 123.89 1sji s ILE 130 Ca 0.15 -2.02 0.01 0.00 0.00 0.00 0.00 60.65 58.79 1sji s ILE 130 Cb -0.14 -4.45 0.04 0.00 0.01 0.00 0.00 42.46 37.92 1sji s ILE 130 CO 0.06 -1.02 1.00 0.59 0.00 0.00 0.00 174.94 175.57 1sji n ASN 131 N 4.69 0.33 -3.63 3.58 3.02 -1.26 -4.56 115.26 117.43 1sji n ASN 131 Ca 0.05 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.53 1sji n ASN 131 Cb 0.45 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 1sji n ASN 131 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sji s SER 132 N -0.93 -0.24 0.45 6.41 0.15 -1.26 -4.95 113.70 113.33 1sji s SER 132 Ca 0.03 0.39 0.32 0.00 0.70 0.00 0.00 55.95 57.39 1sji s SER 132 Cb 0.02 0.36 1.47 0.00 -1.71 0.00 0.00 66.02 66.16 1sji s SER 132 CO 0.02 -0.13 1.61 0.11 1.20 0.00 0.00 173.24 176.05 1sji h LYS 133 N 3.12 0.06 0.19 5.44 1.79 -1.91 0.27 116.57 125.52 1sji h LYS 133 Ca -0.22 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1sji h LYS 133 Cb 1.18 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1sji h LYS 133 CO 0.20 0.04 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.39 1sji h LEU 134 N 0.06 -0.36 -1.66 2.94 3.38 -2.00 0.16 115.31 117.83 1sji h LEU 134 Ca 0.84 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.84 1sji h LEU 134 Cb 2.72 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 43.57 1sji h LEU 134 CO -0.40 -0.22 0.20 -0.33 0.09 0.00 0.00 178.44 177.78 1sji h GLU 135 N -0.33 0.43 -0.38 1.13 5.08 -0.91 -0.81 114.58 118.78 1sji h GLU 135 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1sji h GLU 135 Cb 0.29 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1sji h GLU 135 CO -0.01 0.30 0.15 0.28 -1.00 0.00 0.00 179.01 178.73 1sji h VAL 136 N 0.44 0.92 -0.94 3.13 2.07 0.33 -0.36 116.25 121.84 1sji h VAL 136 Ca 0.12 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1sji h VAL 136 Cb -0.03 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 1sji h VAL 136 CO -0.02 0.06 0.60 0.06 0.02 0.00 0.00 177.57 178.29 1sji h GLN 137 N 0.32 0.89 0.00 1.57 3.07 -0.52 0.27 115.11 120.71 1sji h GLN 137 Ca 0.17 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.79 1sji h GLN 137 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.48 1sji h GLN 137 CO -0.15 0.59 -0.29 0.00 0.09 0.00 0.00 178.83 179.06 1sji h ALA 138 N 1.55 1.15 -0.07 0.06 0.00 -0.71 -1.88 119.26 119.36 1sji h ALA 138 Ca 0.45 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1sji h ALA 138 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sji h ALA 138 CO -0.21 0.36 -0.06 0.35 0.00 0.00 0.00 179.25 179.69 1sji h PHE 139 N 0.00 -0.14 0.00 0.00 3.57 0.95 -1.76 116.94 119.56 1sji h PHE 139 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1sji h PHE 139 Cb 0.69 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1sji h PHE 139 CO 0.00 -0.09 0.00 0.93 -2.23 0.00 0.00 178.31 176.92 1sji h GLU 140 N -0.07 0.00 -0.89 1.11 5.08 -0.84 -3.21 114.58 115.76 1sji h GLU 140 Ca 0.05 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.58 1sji h GLU 140 Cb 0.14 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.22 1sji h GLU 140 CO -0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 179.01 177.67 1sji h ARG 141 N 0.00 -0.00 -5.96 2.33 3.08 -0.48 -3.42 114.38 109.93 1sji h ARG 141 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1sji h ARG 141 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1sji h ARG 141 CO 0.00 -0.00 1.51 -0.89 -1.07 0.00 0.00 179.97 179.51 1sji n ILE 142 N -5.56 0.31 -0.08 2.04 5.41 -1.22 -4.88 119.36 115.38 1sji n ILE 142 Ca 0.13 -0.48 -0.09 0.00 1.00 0.00 0.00 62.75 63.31 1sji n ILE 142 Cb 0.44 -2.56 -0.11 0.00 -0.71 0.00 0.00 39.64 36.71 1sji n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sji n GLU 143 N 8.77 1.26 -0.39 0.38 1.02 -1.26 -4.72 120.64 125.70 1sji n GLU 143 Ca 0.31 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1sji n GLU 143 Cb 0.45 -1.38 0.33 0.00 -0.02 0.00 0.00 31.44 30.81 1sji n GLU 143 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1sji n ASP 144 N -2.69 3.98 -4.14 1.62 5.68 -1.26 -1.39 116.55 118.35 1sji n ASP 144 Ca -0.27 -2.04 -0.19 0.00 -0.50 0.00 0.00 54.79 51.79 1sji n ASP 144 Cb 0.95 -0.50 -0.13 0.00 -1.14 0.00 0.00 41.12 40.30 1sji n ASP 144 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1sji s GLN 145 N -1.09 0.86 0.05 0.11 0.74 -1.26 -4.54 119.66 114.53 1sji s GLN 145 Ca 0.49 -0.80 -0.31 0.00 0.05 0.00 0.00 55.36 54.80 1sji s GLN 145 Cb 0.26 -0.85 -0.07 0.00 1.10 0.00 0.00 33.01 33.45 1sji s GLN 145 CO 0.33 0.20 1.46 0.42 -0.55 0.00 0.00 175.29 177.15 1sji s ILE 146 N -0.98 3.42 0.11 -2.34 1.01 -1.26 -4.40 121.20 116.75 1sji s ILE 146 Ca -0.00 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.60 1sji s ILE 146 Cb -0.08 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1sji s ILE 146 CO 0.01 0.02 -0.15 -0.54 0.00 0.00 0.00 174.94 174.29 1sji s LYS 147 N 2.08 0.97 -0.02 2.79 3.01 -1.09 -2.31 119.74 125.18 1sji s LYS 147 Ca 0.66 -1.15 0.03 0.00 -1.01 0.00 0.00 55.97 54.50 1sji s LYS 147 Cb -0.35 -0.92 -0.00 0.00 -1.01 0.00 0.00 37.83 35.55 1sji s LYS 147 CO 0.29 0.19 -0.09 -0.51 0.51 0.00 0.00 175.35 175.73 1sji s LEU 148 N -2.20 1.86 0.06 3.17 1.02 0.12 -0.87 118.68 121.84 1sji s LEU 148 Ca 0.05 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.09 1sji s LEU 148 Cb -0.07 -0.53 -0.03 0.00 0.02 0.00 0.00 46.19 45.58 1sji s LEU 148 CO 0.03 0.08 -0.17 -0.51 0.02 0.00 0.00 176.35 175.80 1sji s ILE 149 N 0.06 1.40 -0.01 -0.59 1.10 -1.00 -0.35 121.20 121.81 1sji s ILE 149 Ca -0.01 -1.26 -0.05 0.00 -0.51 0.00 0.00 60.65 58.82 1sji s ILE 149 Cb -0.07 -1.27 -0.00 0.00 0.15 0.00 0.00 42.46 41.27 1sji s ILE 149 CO 0.00 -0.02 0.10 -0.83 -2.11 0.00 0.00 174.94 172.08 1sji s GLY 150 N -1.49 0.05 -0.23 1.50 0.00 -1.10 -1.47 107.32 104.58 1sji s GLY 150 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.55 1sji s GLY 150 CO 0.02 -0.20 0.13 -0.12 0.00 0.00 0.00 173.10 172.93 1sji s PHE 151 N -1.02 3.27 0.04 1.90 5.36 -0.93 0.37 117.98 126.97 1sji s PHE 151 Ca -0.11 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1sji s PHE 151 Cb -0.06 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1sji s PHE 151 CO 0.01 0.01 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.63 1sji s PHE 152 N 1.06 0.77 0.42 10.12 0.08 -0.51 -1.22 117.98 128.70 1sji s PHE 152 Ca 0.06 -0.42 0.13 0.00 0.12 0.00 0.00 56.93 56.83 1sji s PHE 152 Cb -0.14 -0.46 0.99 0.00 -0.57 0.00 0.00 43.02 42.85 1sji s PHE 152 CO 0.04 -0.04 1.95 -0.22 -0.10 0.00 0.00 175.22 176.85 1sji h LYS 153 N 4.73 0.45 0.00 0.44 1.63 -1.93 -3.37 116.57 118.53 1sji h LYS 153 Ca -0.36 -0.03 0.30 0.00 -0.85 0.00 0.00 60.65 59.72 1sji h LYS 153 Cb 1.20 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.67 1sji h LYS 153 CO 0.42 0.30 0.75 -1.13 -3.45 0.00 0.00 179.45 176.34 1sji n SER 154 N -4.48 -0.79 -0.24 4.20 3.41 -1.26 -4.88 113.62 109.58 1sji n SER 154 Ca 0.12 -1.05 -0.07 0.00 -0.26 0.00 0.00 58.87 57.62 1sji n SER 154 Cb 0.42 1.19 0.04 0.00 -0.26 0.00 0.00 64.21 65.60 1sji n SER 154 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sji h GLU 155 N 0.00 0.98 -0.02 4.33 5.08 -1.99 -2.83 114.58 120.12 1sji h GLU 155 Ca -0.15 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1sji h GLU 155 Cb 0.88 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1sji h GLU 155 CO 0.22 0.79 0.04 1.49 -1.00 0.00 0.00 179.01 180.55 1sji h GLU 156 N 0.94 0.00 -7.01 2.33 4.57 -2.00 -3.37 114.58 110.03 1sji h GLU 156 Ca 0.23 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.91 1sji h GLU 156 Cb 0.15 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 28.79 1sji h GLU 156 CO -0.02 0.00 0.44 -1.54 -1.18 0.00 0.00 179.01 176.71 1sji s SER 157 N -5.81 6.29 0.56 1.04 1.04 -1.07 -4.91 113.70 110.84 1sji s SER 157 Ca -0.05 2.17 0.30 0.00 0.48 0.00 0.00 55.95 58.85 1sji s SER 157 Cb 0.14 -2.59 1.67 0.00 0.10 0.00 0.00 66.02 65.35 1sji s SER 157 CO 0.50 -0.83 2.16 -0.33 0.98 0.00 0.00 173.24 175.73 1sji h GLU 158 N 1.99 0.00 0.00 4.02 5.08 -1.90 -0.95 114.58 122.82 1sji h GLU 158 Ca -0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1sji h GLU 158 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1sji h GLU 158 CO 0.60 0.06 -0.31 1.88 -1.00 0.00 0.00 179.01 180.25 1sji h TYR 159 N 0.00 0.00 0.07 4.33 0.05 -1.92 -2.30 116.97 117.21 1sji h TYR 159 Ca -0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1sji h TYR 159 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1sji h TYR 159 CO 0.00 0.28 -0.68 -0.92 -1.05 0.00 0.00 178.16 175.79 1sji h TYR 160 N 0.00 0.29 -0.96 4.88 3.20 -1.65 -3.31 116.97 119.41 1sji h TYR 160 Ca -0.01 -0.21 0.23 0.00 3.14 0.00 0.00 58.73 61.88 1sji h TYR 160 Cb 1.22 -0.01 -0.18 0.00 1.54 0.00 0.00 36.73 39.29 1sji h TYR 160 CO 0.00 1.26 -0.11 1.63 -1.64 0.00 0.00 178.16 179.30 1sji n LYS 161 N -4.29 -0.08 -1.00 1.82 5.02 -0.41 -0.64 118.16 118.57 1sji n LYS 161 Ca -0.16 1.47 -0.19 0.00 -2.02 0.00 0.00 58.31 57.40 1sji n LYS 161 Cb 0.70 -2.26 0.15 0.00 -0.02 0.00 0.00 35.03 33.61 1sji n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sji n ALA 162 N -3.42 5.03 0.00 7.82 0.00 -0.87 -1.76 120.51 127.31 1sji n ALA 162 Ca 0.19 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.26 1sji n ALA 162 Cb 0.60 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1sji n ALA 162 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sji n PHE 163 N -0.84 0.00 -0.34 0.00 7.35 0.19 -3.38 117.46 120.44 1sji n PHE 163 Ca 0.49 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 57.21 1sji n PHE 163 Cb 1.46 0.04 0.18 0.00 0.35 0.00 0.00 39.48 41.51 1sji n PHE 163 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1sji h GLU 164 N 0.00 0.98 -0.41 -4.13 4.81 -0.97 0.68 114.58 115.53 1sji h GLU 164 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1sji h GLU 164 Cb 0.82 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1sji h GLU 164 CO 0.00 0.65 -0.34 0.93 -0.73 0.00 0.00 179.01 179.52 1sji h GLU 165 N 1.01 0.95 -0.18 1.92 5.08 -1.58 -2.32 114.58 119.46 1sji h GLU 165 Ca 0.43 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1sji h GLU 165 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sji h GLU 165 CO -0.21 1.14 -0.08 0.00 -1.00 0.00 0.00 179.01 178.85 1sji h ALA 166 N 0.81 1.54 -0.62 3.43 0.00 -1.33 -2.80 119.26 120.29 1sji h ALA 166 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sji h ALA 166 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1sji h ALA 166 CO 0.09 0.33 0.30 0.00 0.00 0.00 0.00 179.25 179.97 1sji h ALA 167 N 1.66 1.37 0.00 0.00 0.00 0.84 -2.74 119.26 120.39 1sji h ALA 167 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sji h ALA 167 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sji h ALA 167 CO 0.02 0.50 -0.01 1.49 0.00 0.00 0.00 179.25 181.24 1sji h GLU 168 N 0.87 0.00 -0.28 0.00 4.22 -1.20 -2.91 114.58 115.28 1sji h GLU 168 Ca 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.63 1sji h GLU 168 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1sji h GLU 168 CO -0.03 0.01 0.06 0.45 -2.18 0.00 0.00 179.01 177.32 1sji h HIS 169 N 0.00 0.40 -0.44 0.92 3.86 -1.55 -3.24 115.15 115.10 1sji h HIS 169 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1sji h HIS 169 Cb 0.73 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1sji h HIS 169 CO 0.00 0.36 0.00 1.19 0.86 0.00 0.00 177.93 180.34 1sji n PHE 170 N -4.37 0.71 -2.14 2.45 3.72 -1.10 -5.03 117.46 111.69 1sji n PHE 170 Ca 0.01 -0.55 -0.38 0.00 -0.05 0.00 0.00 57.45 56.48 1sji n PHE 170 Cb 0.17 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1sji n PHE 170 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1sji s GLN 171 N -1.29 3.67 -0.42 -1.08 -0.21 -1.20 -2.13 119.66 117.01 1sji s GLN 171 Ca 0.33 1.91 0.05 0.00 0.02 0.00 0.00 55.36 57.67 1sji s GLN 171 Cb 0.19 -2.42 0.66 0.00 1.00 0.00 0.00 33.01 32.43 1sji s GLN 171 CO 0.19 -0.66 1.85 -0.35 -2.12 0.00 0.00 175.29 174.20 1sji n PRO 172 N -0.51 2.34 0.04 2.91 -0.04 -1.26 -4.92 135.00 133.56 1sji n PRO 172 Ca 0.07 -3.04 -0.14 0.00 -0.04 0.00 0.00 63.50 60.35 1sji n PRO 172 Cb 0.47 -2.14 -0.14 0.00 -0.04 0.00 0.00 33.50 31.65 1sji n PRO 172 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1sji h TYR 173 N 1.17 0.30 -3.15 0.54 0.05 -1.85 -3.43 116.97 110.60 1sji h TYR 173 Ca 0.55 -0.22 -0.67 0.00 0.05 0.00 0.00 58.73 58.44 1sji h TYR 173 Cb 2.67 -0.01 -0.34 0.00 1.01 0.00 0.00 36.73 40.06 1sji h TYR 173 CO 1.50 1.29 -0.83 0.42 -1.05 0.00 0.00 178.16 179.48 1sji s ILE 174 N -2.62 2.33 -0.15 -2.88 1.01 -1.17 -4.72 121.20 113.00 1sji s ILE 174 Ca -0.08 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 1sji s ILE 174 Cb 0.07 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1sji s ILE 174 CO 0.83 0.50 0.84 -0.54 0.00 0.00 0.00 174.94 176.58 1sji s LYS 175 N 1.32 4.33 -0.14 2.79 -0.14 -0.98 -4.65 119.74 122.28 1sji s LYS 175 Ca 0.05 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 1sji s LYS 175 Cb -0.13 -3.55 -0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1sji s LYS 175 CO -0.11 -0.28 -0.15 -0.06 -0.76 0.00 0.00 175.35 174.00 1sji s PHE 176 N 1.95 2.78 0.37 3.18 0.40 -1.26 -0.71 117.98 124.69 1sji s PHE 176 Ca 0.40 -0.86 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1sji s PHE 176 Cb -0.17 -1.86 -0.07 0.00 0.51 0.00 0.00 43.02 41.43 1sji s PHE 176 CO 0.14 -0.35 -0.05 -0.06 0.70 0.00 0.00 175.22 175.60 1sji s PHE 177 N 0.59 2.42 -0.23 0.36 0.40 0.53 -1.41 117.98 120.63 1sji s PHE 177 Ca -0.09 -0.58 -0.23 0.00 -0.60 0.00 0.00 56.93 55.44 1sji s PHE 177 Cb -0.16 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1sji s PHE 177 CO 0.03 0.51 0.65 0.00 0.70 0.00 0.00 175.22 177.12 1sji s ALA 178 N -2.67 -1.61 0.06 5.36 0.00 0.32 -2.73 121.76 120.49 1sji s ALA 178 Ca 0.33 1.80 0.05 0.00 0.00 0.00 0.00 51.96 54.14 1sji s ALA 178 Cb 0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1sji s ALA 178 CO 0.17 -0.31 -0.13 -0.08 0.00 0.00 0.00 175.76 175.40 1sji s THR 179 N 0.24 1.04 -0.06 0.00 -1.32 0.16 -2.12 115.64 113.59 1sji s THR 179 Ca -0.01 -1.20 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 1sji s THR 179 Cb -0.04 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.08 1sji s THR 179 CO 0.01 -0.18 1.02 0.49 -2.21 0.00 0.00 174.62 173.75 1sji n PHE 180 N 1.46 0.00 -3.73 9.09 3.72 -1.26 -1.42 117.46 125.32 1sji n PHE 180 Ca -0.21 -0.60 -0.35 0.00 -0.05 0.00 0.00 57.45 56.24 1sji n PHE 180 Cb 0.54 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 1sji n PHE 180 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1sji s ASP 181 N -1.74 6.24 0.46 4.37 -1.08 -1.26 -4.93 116.67 118.72 1sji s ASP 181 Ca 0.14 0.26 0.21 0.00 -0.52 0.00 0.00 52.55 52.65 1sji s ASP 181 Cb 0.12 -2.09 1.10 0.00 -1.46 0.00 0.00 42.92 40.59 1sji s ASP 181 CO 0.01 0.20 1.95 0.11 0.52 0.00 0.00 175.17 177.96 1sji h LYS 182 N 6.52 0.00 -0.04 4.34 1.79 -1.98 -1.54 116.57 125.66 1sji h LYS 182 Ca -0.42 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.81 1sji h LYS 182 Cb 1.16 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1sji h LYS 182 CO 0.74 0.22 -0.92 0.78 -1.08 0.00 0.00 179.45 179.20 1sji h GLY 183 N 1.11 0.77 0.53 3.86 0.00 -1.99 -1.13 103.07 106.22 1sji h GLY 183 Ca -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.04 1sji h GLY 183 CO 0.03 1.13 -0.03 -2.08 0.00 0.00 0.00 176.54 175.58 1sji h VAL 184 N 0.37 1.40 -0.28 4.60 2.07 -1.92 -3.07 116.25 119.43 1sji h VAL 184 Ca -0.10 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.22 1sji h VAL 184 Cb 1.57 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.46 1sji h VAL 184 CO 0.18 0.33 -0.42 0.00 0.02 0.00 0.00 177.57 177.69 1sji h ALA 185 N 0.50 -0.49 -0.59 1.67 0.00 -1.23 0.11 119.26 119.24 1sji h ALA 185 Ca 0.00 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1sji h ALA 185 Cb 0.56 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1sji h ALA 185 CO 0.01 -0.88 0.48 0.87 0.00 0.00 0.00 179.25 179.73 1sji h LYS 186 N -0.40 0.00 0.01 0.00 1.57 -1.29 0.40 116.57 116.87 1sji h LYS 186 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1sji h LYS 186 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1sji h LYS 186 CO -0.49 0.00 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.17 1sji h LYS 187 N 0.00 -0.01 0.00 3.15 3.64 -0.73 -3.22 116.57 119.39 1sji h LYS 187 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1sji h LYS 187 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1sji h LYS 187 CO -0.00 0.74 0.00 1.28 -2.27 0.00 0.00 179.45 179.20 1sji n LEU 188 N -4.72 0.06 -2.54 5.20 7.99 -0.53 -4.93 117.00 117.52 1sji n LEU 188 Ca -0.09 0.51 -0.10 0.00 -0.01 0.00 0.00 56.01 56.32 1sji n LEU 188 Cb 0.37 -0.51 0.05 0.00 -0.11 0.00 0.00 43.42 43.23 1sji n LEU 188 CO 0.32 -0.26 0.04 -1.20 -1.51 0.00 0.00 177.39 174.79 1sji n SER 189 N -1.57 -3.39 -4.41 -1.43 7.64 0.13 -5.07 113.62 105.53 1sji n SER 189 Ca 0.04 -0.41 -0.33 0.00 1.01 0.00 0.00 58.87 59.18 1sji n SER 189 Cb 0.19 -3.39 -0.14 0.00 -1.01 0.00 0.00 64.21 59.85 1sji n SER 189 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sji s LEU 190 N -4.60 2.70 0.72 -3.43 2.01 -0.93 -4.99 118.68 110.18 1sji s LEU 190 Ca 0.14 -0.29 -0.11 0.00 0.01 0.00 0.00 54.13 53.88 1sji s LEU 190 Cb -0.02 -1.58 0.02 0.00 0.01 0.00 0.00 46.19 44.62 1sji s LEU 190 CO 0.46 0.23 1.07 -0.54 1.01 0.00 0.00 176.35 178.58 1sji s LYS 191 N -0.06 2.72 0.25 1.70 1.02 -1.26 -4.62 119.74 119.48 1sji s LYS 191 Ca -0.03 0.78 -0.31 0.00 0.02 0.00 0.00 55.97 56.43 1sji s LYS 191 Cb -0.14 -1.98 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 1sji s LYS 191 CO 0.04 -1.21 1.28 -0.12 -0.92 0.00 0.00 175.35 174.42 1sji n MET 192 N -3.18 1.76 -1.27 1.68 0.00 -1.26 -1.74 117.12 113.12 1sji n MET 192 Ca 0.07 0.62 -0.09 0.00 -0.00 0.00 0.00 57.70 58.30 1sji n MET 192 Cb 0.55 -2.20 -0.04 0.00 0.00 0.00 0.00 33.22 31.53 1sji n MET 192 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1sji n ASN 193 N 1.80 -5.12 -4.72 6.12 5.03 -0.36 -4.96 115.26 113.05 1sji n ASN 193 Ca 0.11 0.23 -0.36 0.00 0.87 0.00 0.00 54.58 55.43 1sji n ASN 193 Cb 0.31 -3.43 -0.07 0.00 -1.02 0.00 0.00 39.78 35.56 1sji n ASN 193 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1sji s GLU 194 N -2.59 4.24 0.19 3.52 2.12 -0.71 -4.63 118.70 120.84 1sji s GLU 194 Ca 0.00 0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.44 1sji s GLU 194 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1sji s GLU 194 CO 0.00 0.23 0.03 0.08 -0.54 0.00 0.00 175.26 175.06 1sji s VAL 195 N 0.51 3.82 -0.00 3.70 1.01 -1.26 -2.19 120.40 126.00 1sji s VAL 195 Ca 0.15 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1sji s VAL 195 Cb -0.13 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1sji s VAL 195 CO 0.03 -0.16 -0.05 -1.81 0.00 0.00 0.00 175.10 173.11 1sji s ASP 196 N -3.13 0.60 -0.24 3.32 1.01 -0.54 -2.83 116.67 114.86 1sji s ASP 196 Ca 0.29 -0.11 -0.07 0.00 0.71 0.00 0.00 52.55 53.37 1sji s ASP 196 Cb -0.09 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.76 1sji s ASP 196 CO 0.20 0.05 0.05 0.12 0.21 0.00 0.00 175.17 175.79 1sji s PHE 197 N -0.18 3.06 -0.45 4.23 2.19 0.67 -2.37 117.98 125.13 1sji s PHE 197 Ca 0.01 -0.53 -0.09 0.00 0.33 0.00 0.00 56.93 56.66 1sji s PHE 197 Cb -0.02 -2.21 0.11 0.00 -1.31 0.00 0.00 43.02 39.58 1sji s PHE 197 CO -0.00 -0.39 0.31 0.71 1.83 0.00 0.00 175.22 177.67 1sji s TYR 198 N 1.58 3.41 0.43 10.12 1.51 -0.05 -1.37 117.35 132.97 1sji s TYR 198 Ca 0.06 -1.79 -0.25 0.00 -1.01 0.00 0.00 57.07 54.08 1sji s TYR 198 Cb -0.15 -3.30 -0.08 0.00 -0.11 0.00 0.00 41.96 38.33 1sji s TYR 198 CO 0.02 -0.94 1.22 -2.00 -1.11 0.00 0.00 175.55 172.74 1sji s GLU 199 N 1.37 3.88 0.25 -0.62 2.12 -1.26 -2.67 118.70 121.76 1sji s GLU 199 Ca 0.05 1.95 -0.31 0.00 0.36 0.00 0.00 54.97 57.02 1sji s GLU 199 Cb -0.25 -2.60 -0.12 0.00 0.26 0.00 0.00 34.13 31.42 1sji s GLU 199 CO -0.00 -0.50 1.64 -0.35 -0.54 0.00 0.00 175.26 175.51 1sji n PRO 200 N -0.14 2.67 0.00 4.30 -0.04 -1.26 -3.06 135.00 137.46 1sji n PRO 200 Ca 0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1sji n PRO 200 Cb 0.46 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1sji n PRO 200 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sji n PHE 201 N 2.99 0.00 -1.44 0.54 3.72 -0.49 -4.61 117.46 118.17 1sji n PHE 201 Ca 0.12 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.22 1sji n PHE 201 Cb 0.35 -0.32 0.09 0.00 -0.94 0.00 0.00 39.48 38.66 1sji n PHE 201 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1sji s MET 202 N 0.00 2.19 0.08 -1.08 -1.94 -1.17 -4.95 119.30 112.43 1sji s MET 202 Ca 0.00 0.85 -0.14 0.00 -1.71 0.00 0.00 55.69 54.68 1sji s MET 202 Cb 0.00 -1.91 -0.16 0.00 2.01 0.00 0.00 34.83 34.77 1sji s MET 202 CO 0.00 -1.60 1.29 -0.44 -0.01 0.00 0.00 175.02 174.26 1sji h ASP 203 N -1.08 0.83 -2.96 3.03 3.32 -1.96 -3.48 116.42 114.13 1sji h ASP 203 Ca -0.46 -0.62 -0.50 0.00 0.02 0.00 0.00 57.03 55.47 1sji h ASP 203 Cb 1.25 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 1sji h ASP 203 CO 0.56 1.32 -0.63 -1.61 -1.72 0.00 0.00 179.24 177.17 1sji s GLU 204 N -3.77 1.66 0.74 3.56 0.41 -1.26 -5.16 118.70 114.88 1sji s GLU 204 Ca -0.11 -1.90 -0.08 0.00 -0.41 0.00 0.00 54.97 52.46 1sji s GLU 204 Cb 0.08 -1.04 0.07 0.00 -1.78 0.00 0.00 34.13 31.45 1sji s GLU 204 CO 0.88 -0.11 1.07 -1.25 -0.49 0.00 0.00 175.26 175.36 1sji s PRO 205 N -3.82 2.08 -0.23 0.39 0.04 -1.26 -4.78 135.00 127.42 1sji s PRO 205 Ca 0.34 -0.18 -0.07 0.00 0.04 0.00 0.00 61.00 61.13 1sji s PRO 205 Cb 0.08 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1sji s PRO 205 CO 0.15 -1.37 0.06 0.42 0.04 0.00 0.00 177.00 176.29 1sji s ILE 206 N -3.35 4.35 0.44 0.56 1.01 -0.47 -4.96 121.20 118.78 1sji s ILE 206 Ca 0.61 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.87 1sji s ILE 206 Cb -0.10 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 1sji s ILE 206 CO 0.46 0.37 1.05 0.00 0.00 0.00 0.00 174.94 176.82 1sji s ALA 207 N 1.30 2.98 -0.21 9.38 0.00 -1.26 -0.24 121.76 133.71 1sji s ALA 207 Ca 0.05 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1sji s ALA 207 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1sji s ALA 207 CO 0.03 -0.28 0.58 0.42 0.00 0.00 0.00 175.76 176.51 1sji s ILE 208 N -1.80 5.05 0.01 0.00 1.01 -1.13 -4.84 121.20 119.50 1sji s ILE 208 Ca 0.62 1.07 -0.08 0.00 0.00 0.00 0.00 60.65 62.27 1sji s ILE 208 Cb -0.20 -3.90 -0.31 0.00 0.01 0.00 0.00 42.46 38.07 1sji s ILE 208 CO 0.24 0.11 0.91 -0.65 0.00 0.00 0.00 174.94 175.56 1sji h PRO 209 N 7.60 0.36 -2.98 2.79 0.11 -1.95 -3.38 132.00 134.55 1sji h PRO 209 Ca -0.31 -0.62 -0.74 0.00 0.11 0.00 0.00 66.00 64.45 1sji h PRO 209 Cb 1.14 0.23 -0.33 0.00 0.11 0.00 0.00 31.00 32.15 1sji h PRO 209 CO 0.76 1.26 0.22 -0.25 -0.21 0.00 0.00 178.00 179.78 1sji n ASP 210 N -3.56 5.15 -4.68 -2.05 8.00 -1.26 -5.01 116.55 113.13 1sji n ASP 210 Ca -0.17 -3.29 -0.63 0.00 0.71 0.00 0.00 54.79 51.42 1sji n ASP 210 Cb 1.06 -1.11 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1sji n ASP 210 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sji n LYS 211 N 1.69 0.49 -1.47 -1.24 4.81 -1.26 -4.41 118.16 116.77 1sji n LYS 211 Ca 0.25 0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.78 1sji n LYS 211 Cb 0.37 -1.77 0.04 0.00 0.02 0.00 0.00 35.03 33.69 1sji n LYS 211 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1sji n PRO 212 N 5.00 0.42 -4.32 1.64 -0.04 -1.26 -5.10 135.00 131.32 1sji n PRO 212 Ca 0.32 -1.13 -0.17 0.00 -0.04 0.00 0.00 63.50 62.48 1sji n PRO 212 Cb 0.03 -0.24 -0.10 0.00 -0.04 0.00 0.00 33.50 33.15 1sji n PRO 212 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sji s TYR 213 N -0.99 1.59 0.37 0.54 1.51 -1.26 -5.12 117.35 114.00 1sji s TYR 213 Ca 0.26 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1sji s TYR 213 Cb -0.02 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1sji s TYR 213 CO 0.17 0.24 0.41 -0.08 -1.11 0.00 0.00 175.55 175.19 1sji s THR 214 N -3.11 3.32 0.13 -0.71 -1.32 -1.26 -4.90 115.64 107.79 1sji s THR 214 Ca 0.22 -1.20 -0.33 0.00 -1.21 0.00 0.00 61.69 59.17 1sji s THR 214 Cb 0.01 -3.15 -0.10 0.00 -1.51 0.00 0.00 72.50 67.75 1sji s THR 214 CO 0.06 -0.09 1.55 -0.08 -2.21 0.00 0.00 174.62 173.85 1sji h GLU 215 N 0.98 -0.36 0.00 7.08 4.81 -1.96 -1.45 114.58 123.68 1sji h GLU 215 Ca -0.43 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1sji h GLU 215 Cb 1.26 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1sji h GLU 215 CO 0.54 -0.24 0.00 0.39 -0.73 0.00 0.00 179.01 178.97 1sji n GLU 216 N -5.37 0.26 0.05 1.92 -0.58 -1.26 -0.96 120.64 114.70 1sji n GLU 216 Ca -0.03 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 1sji n GLU 216 Cb 0.34 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.57 1sji n GLU 216 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1sji h GLU 217 N 0.00 0.18 0.01 3.49 4.81 -1.72 -2.77 114.58 118.59 1sji h GLU 217 Ca 0.00 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1sji h GLU 217 Cb 0.18 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1sji h GLU 217 CO 0.00 1.02 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.22 1sji h LEU 218 N 0.05 -0.01 -0.87 1.64 3.38 -0.74 -2.96 115.31 115.80 1sji h LEU 218 Ca -0.22 -0.80 0.18 0.00 0.09 0.00 0.00 57.88 57.12 1sji h LEU 218 Cb 1.98 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.63 1sji h LEU 218 CO 0.14 0.84 0.43 0.58 0.09 0.00 0.00 178.44 180.52 1sji h VAL 219 N -0.91 0.63 0.00 1.22 2.07 -1.19 0.19 116.25 118.26 1sji h VAL 219 Ca -0.00 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1sji h VAL 219 Cb 0.82 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1sji h VAL 219 CO 0.00 0.10 -0.29 -0.33 0.02 0.00 0.00 177.57 177.07 1sji h GLU 220 N 0.54 0.00 0.15 1.57 5.08 -1.58 -2.55 114.58 117.80 1sji h GLU 220 Ca 0.51 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.59 1sji h GLU 220 Cb 0.83 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.11 1sji h GLU 220 CO -0.43 0.29 -1.16 0.35 -1.00 0.00 0.00 179.01 177.06 1sji h PHE 221 N 0.00 0.88 0.46 4.33 3.57 -0.79 -2.69 116.94 122.70 1sji h PHE 221 Ca -0.00 -0.59 -0.02 0.00 3.53 0.00 0.00 57.97 60.89 1sji h PHE 221 Cb 0.56 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1sji h PHE 221 CO 0.00 1.44 -0.22 0.28 -2.23 0.00 0.00 178.31 177.58 1sji h VAL 222 N 0.08 0.54 -1.00 1.41 2.07 -1.47 -0.93 116.25 116.94 1sji h VAL 222 Ca -0.19 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.35 1sji h VAL 222 Cb 1.87 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 32.17 1sji h VAL 222 CO 0.22 0.04 0.61 0.11 0.02 0.00 0.00 177.57 178.57 1sji h LYS 223 N -0.74 0.62 -0.02 1.57 1.57 -1.57 0.98 116.57 118.97 1sji h LYS 223 Ca -0.06 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1sji h LYS 223 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1sji h LYS 223 CO 0.10 0.41 -0.46 1.49 -0.57 0.00 0.00 179.45 180.42 1sji h GLU 224 N 0.63 0.04 0.00 3.15 4.81 -1.11 -3.28 114.58 118.82 1sji h GLU 224 Ca 0.60 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1sji h GLU 224 Cb 1.11 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1sji h GLU 224 CO -0.39 0.49 -0.06 0.72 -0.73 0.00 0.00 179.01 179.04 1sji n HIS 225 N -3.99 0.00 1.49 0.92 8.25 0.67 -4.78 115.22 117.78 1sji n HIS 225 Ca -0.02 -0.59 0.13 0.00 -0.26 0.00 0.00 57.72 56.98 1sji n HIS 225 Cb 0.48 -0.08 0.73 0.00 1.12 0.00 0.00 29.99 32.23 1sji n HIS 225 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sji n GLN 226 N -0.76 0.69 -3.15 -0.41 10.64 0.31 -4.52 117.38 120.18 1sji n GLN 226 Ca 0.06 0.01 -0.43 0.00 -1.83 0.00 0.00 57.00 54.82 1sji n GLN 226 Cb 0.48 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.29 1sji n GLN 226 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1sji s ARG 227 N -2.14 3.20 0.47 2.61 6.06 -1.26 -5.06 118.95 122.83 1sji s ARG 227 Ca 0.35 -0.59 -0.11 0.00 -2.50 0.00 0.00 55.73 52.88 1sji s ARG 227 Cb 0.17 -4.00 -0.06 0.00 0.06 0.00 0.00 34.95 31.12 1sji s ARG 227 CO 0.31 -1.06 0.85 -1.25 -2.50 0.00 0.00 175.30 171.65 1sji s PRO 228 N 2.69 3.77 -0.01 5.12 0.04 -1.26 -5.00 135.00 140.34 1sji s PRO 228 Ca 0.19 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.59 1sji s PRO 228 Cb -0.16 -2.29 -0.22 0.00 0.04 0.00 0.00 34.50 31.87 1sji s PRO 228 CO 0.16 -0.18 1.12 1.15 0.04 0.00 0.00 177.00 179.29 1sji h THR 229 N 0.77 1.46 -3.53 1.26 2.02 -1.86 -3.36 112.91 109.66 1sji h THR 229 Ca -0.47 -1.88 -0.72 0.00 0.77 0.00 0.00 66.41 64.11 1sji h THR 229 Cb 1.19 2.52 -0.33 0.00 -1.74 0.00 0.00 68.15 69.79 1sji h THR 229 CO 0.63 0.54 -0.32 -0.22 0.37 0.00 0.00 175.52 176.51 1sji s LEU 230 N -8.55 5.55 -0.12 2.58 2.96 -1.26 0.12 118.68 119.97 1sji s LEU 230 Ca -0.14 -2.55 -0.15 0.00 -0.22 0.00 0.00 54.13 51.07 1sji s LEU 230 Cb 0.03 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1sji s LEU 230 CO 0.78 -0.48 0.36 0.00 -1.32 0.00 0.00 176.35 175.68 1sji s ARG 231 N 0.39 4.19 0.11 1.98 1.70 -0.53 -4.77 118.95 122.01 1sji s ARG 231 Ca 0.14 0.24 -0.27 0.00 -0.47 0.00 0.00 55.73 55.37 1sji s ARG 231 Cb -0.20 -3.38 -0.06 0.00 -0.57 0.00 0.00 34.95 30.73 1sji s ARG 231 CO -0.04 0.32 0.84 0.50 -1.08 0.00 0.00 175.30 175.84 1sji s ARG 232 N 0.18 4.61 -0.08 3.89 3.52 -1.26 -1.38 118.95 128.43 1sji s ARG 232 Ca 0.20 1.24 -0.25 0.00 -0.13 0.00 0.00 55.73 56.80 1sji s ARG 232 Cb -0.14 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1sji s ARG 232 CO 0.07 0.34 0.77 -1.17 -0.81 0.00 0.00 175.30 174.50 1sji s LEU 233 N -0.35 4.30 0.12 -0.88 2.96 -0.62 -4.92 118.68 119.30 1sji s LEU 233 Ca 0.41 1.26 0.10 0.00 -0.22 0.00 0.00 54.13 55.68 1sji s LEU 233 Cb -0.22 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1sji s LEU 233 CO 0.27 -0.20 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.72 1sji s ARG 234 N 1.11 1.31 0.51 1.98 0.52 -1.26 -4.62 118.95 118.49 1sji s ARG 234 Ca 0.40 -1.29 0.30 0.00 -0.52 0.00 0.00 55.73 54.61 1sji s ARG 234 Cb -0.18 -1.72 1.22 0.00 0.52 0.00 0.00 34.95 34.79 1sji s ARG 234 CO 0.19 0.40 1.94 -1.35 0.02 0.00 0.00 175.30 176.50 1sji h PRO 235 N 3.91 0.00 0.00 3.54 0.11 -1.96 -1.86 132.00 135.75 1sji h PRO 235 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1sji h PRO 235 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1sji h PRO 235 CO 0.40 0.09 -0.48 1.05 -0.21 0.00 0.00 178.00 178.85 1sji h GLU 236 N 0.00 0.00 0.00 1.05 4.11 -1.90 0.49 114.58 118.32 1sji h GLU 236 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sji h GLU 236 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1sji h GLU 236 CO 0.01 0.40 -0.19 -0.40 0.07 0.00 0.00 179.01 178.91 1sji n ASP 237 N -3.18 0.97 -0.34 3.06 3.85 -1.24 -3.15 116.55 116.53 1sji n ASP 237 Ca 0.02 -2.12 0.18 0.00 -0.71 0.00 0.00 54.79 52.15 1sji n ASP 237 Cb 0.70 -0.20 0.40 0.00 -1.35 0.00 0.00 41.12 40.68 1sji n ASP 237 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1sji h MET 238 N 0.00 0.57 -0.07 0.11 -0.00 -1.34 -0.45 114.93 113.74 1sji h MET 238 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.70 59.61 1sji h MET 238 Cb 1.08 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 1sji h MET 238 CO 0.00 0.38 -0.19 0.74 -0.00 0.00 0.00 176.91 177.83 1sji h PHE 239 N 0.58 0.33 -0.86 -0.10 0.05 -1.84 -0.91 116.94 114.19 1sji h PHE 239 Ca 0.61 -0.13 0.17 0.00 3.82 0.00 0.00 57.97 62.44 1sji h PHE 239 Cb 1.20 -0.06 -0.06 0.00 2.00 0.00 0.00 35.95 39.03 1sji h PHE 239 CO -0.00 0.80 0.56 1.49 -0.18 0.00 0.00 178.31 180.98 1sji h GLU 240 N -0.24 0.51 -0.14 1.51 4.81 -1.01 0.18 114.58 120.19 1sji h GLU 240 Ca -0.00 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 1sji h GLU 240 Cb 0.80 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.08 1sji h GLU 240 CO 0.04 0.34 -0.65 1.15 -0.73 0.00 0.00 179.01 179.16 1sji h THR 241 N 0.52 1.31 -0.00 0.32 2.02 -1.15 -2.62 112.91 113.31 1sji h THR 241 Ca 0.44 -1.89 -0.13 0.00 0.77 0.00 0.00 66.41 65.60 1sji h THR 241 Cb 0.91 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1sji h THR 241 CO -0.18 0.59 -0.62 -0.25 0.37 0.00 0.00 175.52 175.43 1sji h TRP 242 N 0.38 0.00 0.00 3.16 2.91 0.44 -1.85 115.95 120.99 1sji h TRP 242 Ca -0.04 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.93 1sji h TRP 242 Cb 1.29 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.93 1sji h TRP 242 CO 0.10 0.62 -0.24 0.93 -1.03 0.00 0.00 178.44 178.82 1sji h GLU 243 N 0.00 0.00 -5.07 2.65 5.08 -0.71 -3.38 114.58 113.15 1sji h GLU 243 Ca -0.01 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1sji h GLU 243 Cb 1.10 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.17 1sji h GLU 243 CO 0.08 0.24 0.38 0.34 -1.00 0.00 0.00 179.01 179.05 1sji s ASP 244 N -6.23 6.22 0.60 1.42 3.68 -0.70 -5.01 116.67 116.65 1sji s ASP 244 Ca 0.00 -1.29 -0.06 0.00 2.13 0.00 0.00 52.55 53.33 1sji s ASP 244 Cb 0.11 -2.36 0.01 0.00 -1.45 0.00 0.00 42.92 39.22 1sji s ASP 244 CO 0.64 -1.26 0.91 -1.81 0.13 0.00 0.00 175.17 173.78 1sji s ASP 245 N 3.64 5.58 -0.57 -0.34 -0.00 -1.26 -4.96 116.67 118.76 1sji s ASP 245 Ca 0.18 0.74 0.07 0.00 -0.00 0.00 0.00 52.55 53.53 1sji s ASP 245 Cb -0.19 -1.71 0.26 0.00 -0.00 0.00 0.00 42.92 41.28 1sji s ASP 245 CO 0.07 -1.08 0.71 0.00 -0.00 0.00 0.00 175.17 174.86 1sji n LEU 246 N -2.61 2.88 -2.07 1.23 -0.00 -0.72 -4.79 117.00 110.92 1sji n LEU 246 Ca 0.05 -5.27 -0.10 0.00 -0.00 0.00 0.00 56.01 50.69 1sji n LEU 246 Cb 0.58 -0.30 0.04 0.00 -0.00 0.00 0.00 43.42 43.73 1sji n LEU 246 CO 0.53 2.09 0.09 0.59 -0.00 0.00 0.00 177.39 180.69 1sji n ASN 247 N 0.87 -3.04 0.00 1.45 3.02 -1.26 -4.20 115.26 112.11 1sji n ASN 247 Ca 0.28 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1sji n ASN 247 Cb 0.44 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 1sji n ASN 247 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sji n GLY 248 N -1.14 2.94 4.01 7.41 0.00 -1.26 -5.05 105.19 112.09 1sji n GLY 248 Ca -0.07 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1sji n GLY 248 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sji s ILE 249 N -0.95 2.36 -0.12 -0.61 -4.36 -1.26 -2.31 121.20 113.95 1sji s ILE 249 Ca 0.00 -0.80 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1sji s ILE 249 Cb 0.00 -2.56 0.06 0.00 1.25 0.00 0.00 42.46 41.21 1sji s ILE 249 CO 0.00 0.00 0.19 -1.00 0.24 0.00 0.00 174.94 174.37 1sji s HIS 250 N -2.80 -0.24 -0.81 1.37 3.76 -1.13 -1.75 115.29 113.69 1sji s HIS 250 Ca 0.62 0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 55.88 1sji s HIS 250 Cb -0.07 -0.25 0.06 0.00 1.11 0.00 0.00 32.58 33.43 1sji s HIS 250 CO 0.40 -0.36 1.21 0.42 -0.85 0.00 0.00 174.74 175.57 1sji s ILE 251 N 2.32 4.07 0.03 0.60 1.01 -1.26 -2.55 121.20 125.43 1sji s ILE 251 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 1sji s ILE 251 Cb -0.13 -4.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.43 1sji s ILE 251 CO -0.08 -1.72 0.90 -0.69 0.00 0.00 0.00 174.94 173.35 1sji s VAL 252 N 4.67 4.75 -0.08 2.92 1.01 0.26 -1.15 120.40 132.79 1sji s VAL 252 Ca 0.34 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.24 1sji s VAL 252 Cb -0.08 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1sji s VAL 252 CO 0.04 0.26 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 1sji s ALA 253 N 0.49 1.16 0.04 5.51 0.00 -0.45 -1.45 121.76 127.07 1sji s ALA 253 Ca 0.46 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1sji s ALA 253 Cb -0.21 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1sji s ALA 253 CO 0.26 -0.07 0.30 -0.06 0.00 0.00 0.00 175.76 176.19 1sji s PHE 254 N 1.04 3.56 0.00 0.00 0.08 -1.00 -0.43 117.98 121.23 1sji s PHE 254 Ca -0.08 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1sji s PHE 254 Cb -0.15 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 1sji s PHE 254 CO -0.01 0.57 0.00 0.00 -0.10 0.00 0.00 175.22 175.68 1sji n ALA 255 N 0.85 0.00 -2.60 5.36 0.00 -1.25 -2.35 120.51 120.51 1sji n ALA 255 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1sji n ALA 255 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1sji n ALA 255 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sji s GLU 256 N 0.00 3.83 0.57 0.00 2.12 -1.26 -4.43 118.70 119.53 1sji s GLU 256 Ca 0.00 0.54 0.32 0.00 0.36 0.00 0.00 54.97 56.19 1sji s GLU 256 Cb 0.00 -3.80 1.75 0.00 0.26 0.00 0.00 34.13 32.34 1sji s GLU 256 CO 0.00 -0.91 1.97 -0.09 -0.54 0.00 0.00 175.26 175.69 1sji h ARG 257 N 8.45 0.00 0.00 4.30 2.43 -1.97 -2.03 114.38 125.56 1sji h ARG 257 Ca -0.23 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1sji h ARG 257 Cb 1.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1sji h ARG 257 CO 0.96 0.00 -1.89 0.43 -1.51 0.00 0.00 179.97 177.96 1sji n SER 258 N -2.75 0.85 -4.63 -3.80 7.64 -1.26 -3.91 113.62 105.75 1sji n SER 258 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 1sji n SER 258 Cb 0.20 1.66 -0.03 0.00 -1.01 0.00 0.00 64.21 65.03 1sji n SER 258 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sji s ASP 259 N -4.27 6.08 0.46 6.43 2.15 -0.76 -4.83 116.67 121.93 1sji s ASP 259 Ca -0.07 2.15 0.11 0.00 0.43 0.00 0.00 52.55 55.17 1sji s ASP 259 Cb 0.10 -2.52 1.05 0.00 -0.30 0.00 0.00 42.92 41.25 1sji s ASP 259 CO 0.74 -1.42 2.10 1.55 -0.17 0.00 0.00 175.17 177.97 1sji h PRO 260 N 12.21 0.28 -0.35 4.34 0.13 -1.86 0.16 132.00 146.91 1sji h PRO 260 Ca -0.43 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1sji h PRO 260 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1sji h PRO 260 CO 0.96 0.19 0.03 -0.44 -0.23 0.00 0.00 178.00 178.51 1sji h ASP 261 N 0.29 0.59 -0.81 1.44 3.45 -1.89 -1.25 116.42 118.25 1sji h ASP 261 Ca 0.08 -0.29 0.11 0.00 0.43 0.00 0.00 57.03 57.36 1sji h ASP 261 Cb -0.02 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 38.51 1sji h ASP 261 CO -0.02 0.73 0.44 1.23 -1.57 0.00 0.00 179.24 180.05 1sji h GLY 262 N 0.43 1.26 0.95 2.75 0.00 -0.89 0.90 103.07 108.48 1sji h GLY 262 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1sji h GLY 262 CO 0.01 0.07 -0.31 -1.82 0.00 0.00 0.00 176.54 174.49 1sji h TYR 263 N 0.71 -0.82 -0.42 5.60 3.20 -0.94 0.80 116.97 125.10 1sji h TYR 263 Ca 0.40 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1sji h TYR 263 Cb 0.44 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1sji h TYR 263 CO -0.08 -0.49 0.24 0.93 -1.64 0.00 0.00 178.16 177.12 1sji h GLU 264 N -0.84 0.58 -0.41 1.82 5.08 -0.48 0.01 114.58 120.35 1sji h GLU 264 Ca -0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1sji h GLU 264 Cb 0.66 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1sji h GLU 264 CO 0.11 0.45 0.23 0.35 -1.00 0.00 0.00 179.01 179.16 1sji h PHE 265 N 0.55 0.54 -0.28 4.33 3.57 0.89 -1.82 116.94 124.72 1sji h PHE 265 Ca 0.15 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1sji h PHE 265 Cb 0.03 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1sji h PHE 265 CO -0.03 0.37 -0.28 1.25 -2.23 0.00 0.00 178.31 177.40 1sji h LEU 266 N 0.57 0.73 -2.00 0.59 6.46 -0.02 -1.74 115.31 119.89 1sji h LEU 266 Ca 0.15 -0.47 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1sji h LEU 266 Cb 0.00 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.72 1sji h LEU 266 CO -0.03 1.05 -0.10 -0.33 -0.62 0.00 0.00 178.44 178.42 1sji h GLU 267 N 0.42 0.00 0.00 1.25 4.39 -0.18 0.80 114.58 121.26 1sji h GLU 267 Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1sji h GLU 267 Cb 0.84 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 1sji h GLU 267 CO 0.07 0.10 -1.01 -0.84 -1.16 0.00 0.00 179.01 176.16 1sji h ILE 268 N 0.00 0.94 -0.21 3.13 3.07 -1.25 -3.16 117.51 120.04 1sji h ILE 268 Ca -0.00 -2.47 -0.00 0.00 1.55 0.00 0.00 64.86 63.93 1sji h ILE 268 Cb 0.22 2.40 -0.01 0.00 -0.27 0.00 0.00 36.82 39.17 1sji h ILE 268 CO 0.01 0.54 0.12 -0.07 -1.05 0.00 0.00 178.15 177.70 1sji h LEU 269 N 0.00 0.25 -1.03 0.16 3.38 -0.09 -1.89 115.31 116.10 1sji h LEU 269 Ca -0.08 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1sji h LEU 269 Cb 1.60 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.23 1sji h LEU 269 CO 0.08 0.25 0.66 0.11 0.09 0.00 0.00 178.44 179.63 1sji h LYS 270 N 0.23 1.28 0.00 1.13 1.57 -1.03 -1.97 116.57 117.78 1sji h LYS 270 Ca 0.07 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1sji h LYS 270 Cb 0.05 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1sji h LYS 270 CO -0.01 0.85 -0.11 0.37 -0.57 0.00 0.00 179.45 179.98 1sji h GLN 271 N 1.32 0.00 0.08 3.15 5.75 -1.47 0.04 115.11 123.99 1sji h GLN 271 Ca 0.37 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.62 1sji h GLN 271 Cb -0.11 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1sji h GLN 271 CO -0.09 0.11 -1.19 -0.39 -2.65 0.00 0.00 178.83 174.62 1sji h VAL 272 N 0.00 1.54 -0.13 2.39 -1.51 -1.07 -3.01 116.25 114.45 1sji h VAL 272 Ca -0.00 -3.16 -0.09 0.00 -1.23 0.00 0.00 66.70 62.21 1sji h VAL 272 Cb 0.87 2.90 -0.01 0.00 -2.13 0.00 0.00 31.29 32.91 1sji h VAL 272 CO 0.01 0.91 -0.32 0.00 -1.23 0.00 0.00 177.57 176.95 1sji h ALA 273 N 0.72 1.21 0.00 5.19 0.00 -1.14 0.67 119.26 125.90 1sji h ALA 273 Ca -0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1sji h ALA 273 Cb 1.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1sji h ALA 273 CO 0.18 0.52 -0.40 0.00 0.00 0.00 0.00 179.25 179.55 1sji h ARG 274 N 0.23 0.00 0.00 0.00 3.08 -0.98 -1.41 114.38 115.29 1sji h ARG 274 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1sji h ARG 274 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1sji h ARG 274 CO 0.05 0.40 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.53 1sji h ASP 275 N 0.00 0.00 0.00 7.04 3.45 -1.32 -3.36 116.42 122.24 1sji h ASP 275 Ca -0.00 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1sji h ASP 275 Cb 0.74 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1sji h ASP 275 CO 0.05 0.81 0.00 0.59 -1.57 0.00 0.00 179.24 179.12 1sji n ASN 276 N -4.64 2.17 0.30 6.45 4.13 0.19 -4.11 115.26 119.75 1sji n ASN 276 Ca -0.09 -1.98 0.16 0.00 1.68 0.00 0.00 54.58 54.36 1sji n ASN 276 Cb 0.27 -0.49 0.92 0.00 -1.54 0.00 0.00 39.78 38.93 1sji n ASN 276 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sji h THR 277 N 0.01 0.38 0.00 3.41 1.03 -1.40 -0.85 112.91 115.48 1sji h THR 277 Ca 0.00 -0.19 -0.11 0.00 -0.01 0.00 0.00 66.41 66.09 1sji h THR 277 Cb 0.79 1.14 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 1sji h THR 277 CO 0.00 0.04 -0.53 0.44 -0.01 0.00 0.00 175.52 175.45 1sji h ASP 278 N 0.00 0.00 -2.84 0.00 5.19 -1.86 -3.45 116.42 113.46 1sji h ASP 278 Ca -0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1sji h ASP 278 Cb 0.13 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1sji h ASP 278 CO 0.00 0.53 0.99 0.21 -3.12 0.00 0.00 179.24 177.85 1sji s ASN 279 N -6.63 6.77 0.25 6.45 3.84 -0.33 -4.93 114.94 120.35 1sji s ASN 279 Ca -0.00 1.76 0.23 0.00 0.21 0.00 0.00 52.86 55.05 1sji s ASN 279 Cb 0.11 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.38 1sji s ASN 279 CO 0.73 -0.91 1.20 -0.65 -2.79 0.00 0.00 177.10 174.68 1sji h PRO 280 N 9.01 0.00 0.14 0.43 0.11 -1.87 -3.21 132.00 136.60 1sji h PRO 280 Ca -0.30 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.47 1sji h PRO 280 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sji h PRO 280 CO 0.98 0.00 -1.73 -0.44 -0.21 0.00 0.00 178.00 176.59 1sji h ASP 281 N 0.00 0.46 -2.33 -2.05 3.45 -1.95 -3.46 116.42 110.54 1sji h ASP 281 Ca 0.00 -0.74 -0.55 0.00 0.43 0.00 0.00 57.03 56.16 1sji h ASP 281 Cb 0.98 -0.15 0.03 0.00 -0.56 0.00 0.00 39.33 39.63 1sji h ASP 281 CO 0.00 1.64 1.13 -0.11 -1.57 0.00 0.00 179.24 180.33 1sji n LEU 282 N -3.48 3.90 -3.17 1.55 7.94 -1.22 -4.76 117.00 117.76 1sji n LEU 282 Ca -0.23 0.96 0.03 0.00 -1.11 0.00 0.00 56.01 55.66 1sji n LEU 282 Cb 1.06 -1.49 -0.00 0.00 0.53 0.00 0.00 43.42 43.51 1sji n LEU 282 CO 0.49 0.11 0.09 -0.55 -1.11 0.00 0.00 177.39 176.41 1sji s SER 283 N 3.53 -1.52 -0.10 1.96 0.15 -1.26 -4.64 113.70 111.83 1sji s SER 283 Ca 0.87 -0.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.18 1sji s SER 283 Cb -0.52 1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 65.74 1sji s SER 283 CO 0.42 -0.28 1.18 -0.63 1.20 0.00 0.00 173.24 175.14 1sji s ILE 284 N 2.61 4.34 -0.55 6.45 1.01 0.32 -4.07 121.20 131.31 1sji s ILE 284 Ca 0.11 1.65 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 1sji s ILE 284 Cb -0.09 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.40 1sji s ILE 284 CO -0.22 -0.04 0.67 -0.69 0.00 0.00 0.00 174.94 174.66 1sji s VAL 285 N 2.56 4.83 0.08 2.92 1.01 -0.30 -1.46 120.40 130.04 1sji s VAL 285 Ca 0.54 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1sji s VAL 285 Cb -0.23 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1sji s VAL 285 CO 0.19 -0.97 0.51 -1.66 0.00 0.00 0.00 175.10 173.16 1sji s TRP 286 N 2.71 3.71 -0.29 5.22 1.48 -0.48 -1.34 118.94 129.95 1sji s TRP 286 Ca 0.14 1.10 -0.02 0.00 -1.06 0.00 0.00 56.10 56.26 1sji s TRP 286 Cb -0.21 -2.38 0.05 0.00 -1.16 0.00 0.00 33.47 29.76 1sji s TRP 286 CO 0.09 0.55 -0.01 0.42 -4.06 0.00 0.00 176.95 173.94 1sji s ILE 287 N -1.24 2.95 -0.19 0.66 1.01 0.43 -1.58 121.20 123.25 1sji s ILE 287 Ca 0.31 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1sji s ILE 287 Cb -0.17 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1sji s ILE 287 CO 0.18 -0.06 1.31 -0.62 0.00 0.00 0.00 174.94 175.75 1sji s ASP 288 N 1.26 6.84 0.40 3.58 3.68 -1.26 -3.90 116.67 127.27 1sji s ASP 288 Ca -0.05 1.62 0.16 0.00 2.13 0.00 0.00 52.55 56.41 1sji s ASP 288 Cb -0.19 -2.54 0.86 0.00 -1.45 0.00 0.00 42.92 39.60 1sji s ASP 288 CO -0.02 -0.87 1.87 1.55 0.13 0.00 0.00 175.17 177.84 1sji h PRO 289 N 8.65 0.00 0.00 4.34 0.13 -1.88 0.14 132.00 143.38 1sji h PRO 289 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1sji h PRO 289 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sji h PRO 289 CO 0.98 0.31 0.00 -3.47 -0.23 0.00 0.00 178.00 175.60 1sji n ASP 290 N -3.97 0.00 -0.27 1.44 2.03 -1.26 -1.34 116.55 113.18 1sji n ASP 290 Ca -0.02 0.12 0.11 0.00 0.52 0.00 0.00 54.79 55.52 1sji n ASP 290 Cb 0.38 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1sji n ASP 290 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1sji n ASP 291 N -1.30 1.50 -3.24 1.67 10.43 0.49 -4.77 116.55 121.33 1sji n ASP 291 Ca 0.06 -1.21 -0.25 0.00 2.57 0.00 0.00 54.79 55.96 1sji n ASP 291 Cb 0.11 0.62 -0.07 0.00 1.84 0.00 0.00 41.12 43.62 1sji n ASP 291 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1sji n PHE 292 N -0.68 0.48 0.00 1.24 3.72 -0.45 -4.92 117.46 116.87 1sji n PHE 292 Ca 0.07 -3.69 -0.12 0.00 -0.05 0.00 0.00 57.45 53.67 1sji n PHE 292 Cb 0.40 -0.39 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1sji n PHE 292 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sji h PRO 293 N 4.06 0.03 -0.66 -1.08 0.11 -1.86 0.08 132.00 132.69 1sji h PRO 293 Ca 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1sji h PRO 293 Cb 0.83 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1sji h PRO 293 CO 0.54 0.27 0.32 -0.07 -0.21 0.00 0.00 178.00 178.85 1sji h LEU 294 N -0.21 0.84 -0.24 2.35 3.38 -1.96 -1.33 115.31 118.14 1sji h LEU 294 Ca 0.01 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1sji h LEU 294 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sji h LEU 294 CO 0.00 0.71 -0.47 -0.07 0.09 0.00 0.00 178.44 178.70 1sji h LEU 295 N 0.93 0.83 -1.39 1.67 -0.00 -1.88 -1.04 115.31 114.42 1sji h LEU 295 Ca 0.23 -0.54 0.08 0.00 -0.00 0.00 0.00 57.88 57.65 1sji h LEU 295 Cb 0.09 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 40.46 1sji h LEU 295 CO -0.03 1.22 0.49 0.58 -0.00 0.00 0.00 178.44 180.69 1sji h VAL 296 N 0.48 0.98 -0.31 1.22 2.07 -0.49 0.10 116.25 120.30 1sji h VAL 296 Ca 0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1sji h VAL 296 Cb 1.07 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1sji h VAL 296 CO 0.10 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.92 1sji h ALA 297 N 1.61 0.41 -0.01 1.67 0.00 -0.98 0.01 119.26 121.98 1sji h ALA 297 Ca 0.33 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1sji h ALA 297 Cb 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1sji h ALA 297 CO -0.12 0.05 -0.41 -0.92 0.00 0.00 0.00 179.25 177.86 1sji h TYR 298 N 0.35 -1.15 0.00 0.00 3.20 0.20 0.64 116.97 120.21 1sji h TYR 298 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1sji h TYR 298 Cb 0.25 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1sji h TYR 298 CO 0.01 -0.49 0.00 -1.49 -1.64 0.00 0.00 178.16 174.55 1sji h TRP 299 N -0.56 0.00 0.00 -3.82 6.55 -0.99 -1.47 115.95 115.66 1sji h TRP 299 Ca 0.05 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.78 1sji h TRP 299 Cb 0.64 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 1sji h TRP 299 CO -0.42 0.00 -0.54 1.49 -1.05 0.00 0.00 178.44 177.92 1sji h GLU 300 N 0.00 0.00 0.00 0.49 4.81 0.23 -0.21 114.58 119.90 1sji h GLU 300 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sji h GLU 300 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1sji h GLU 300 CO 0.00 0.54 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.30 1sji h LYS 301 N 0.00 0.00 -0.30 1.92 3.11 -0.57 -3.44 116.57 117.29 1sji h LYS 301 Ca -0.01 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 1sji h LYS 301 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1sji h LYS 301 CO 0.07 0.00 -0.21 0.00 -2.81 0.00 0.00 179.45 176.50 1sji h THR 302 N -0.97 1.26 -2.75 1.00 1.03 -1.41 -3.24 112.91 107.83 1sji h THR 302 Ca 0.00 -1.23 -0.67 0.00 -0.01 0.00 0.00 66.41 64.50 1sji h THR 302 Cb 0.30 1.26 -0.17 0.00 -1.07 0.00 0.00 68.15 68.47 1sji h THR 302 CO 0.00 0.40 0.38 -0.36 -0.01 0.00 0.00 175.52 175.93 1sji s PHE 303 N -4.59 2.86 0.26 0.00 0.08 -0.09 -4.82 117.98 111.69 1sji s PHE 303 Ca -0.08 -0.82 0.37 0.00 0.12 0.00 0.00 56.93 56.53 1sji s PHE 303 Cb 0.14 -4.17 1.71 0.00 -0.57 0.00 0.00 43.02 40.13 1sji s PHE 303 CO 0.80 -1.48 2.10 1.57 -0.10 0.00 0.00 175.22 178.11 1sji h LYS 304 N 9.32 0.00 -6.63 0.44 -0.00 -1.73 -3.36 116.57 114.61 1sji h LYS 304 Ca -0.25 0.00 -0.44 0.00 -0.00 0.00 0.00 60.65 59.97 1sji h LYS 304 Cb 1.07 0.00 0.23 0.00 -0.00 0.00 0.00 32.23 33.53 1sji h LYS 304 CO 1.14 0.00 -1.04 0.44 -0.00 0.00 0.00 179.45 179.99 1sji n ILE 305 N -3.04 0.00 -4.01 0.07 -5.35 -1.26 -4.97 119.36 100.80 1sji n ILE 305 Ca -0.01 -0.28 -0.32 0.00 -0.27 0.00 0.00 62.75 61.88 1sji n ILE 305 Cb 0.22 -0.60 -0.15 0.00 -1.74 0.00 0.00 39.64 37.37 1sji n ILE 305 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1sji s ASP 306 N -1.86 4.75 0.00 7.28 1.11 -1.26 -4.97 116.67 121.72 1sji s ASP 306 Ca 0.55 -1.96 0.22 0.00 0.18 0.00 0.00 52.55 51.53 1sji s ASP 306 Cb -0.11 -1.63 1.31 0.00 1.07 0.00 0.00 42.92 43.56 1sji s ASP 306 CO 0.63 -0.35 1.74 0.18 1.18 0.00 0.00 175.17 178.55 1sji n LEU 307 N 4.33 0.00 0.02 1.23 4.77 -1.26 -1.93 117.00 124.16 1sji n LEU 307 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1sji n LEU 307 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1sji n LEU 307 CO 0.23 0.00 0.18 0.15 -1.33 0.00 0.00 177.39 176.62 1sji h PHE 308 N 0.00 0.97 -4.13 -1.77 -0.00 -2.00 -3.44 116.94 106.58 1sji h PHE 308 Ca 0.00 -0.48 -0.48 0.00 -0.00 0.00 0.00 57.97 57.01 1sji h PHE 308 Cb 0.00 -0.13 0.04 0.00 -0.00 0.00 0.00 35.95 35.86 1sji h PHE 308 CO 0.00 1.31 0.38 0.21 -0.00 0.00 0.00 178.31 180.21 1sji s LYS 309 N -3.51 3.62 0.93 1.11 2.20 -0.81 -4.76 119.74 118.52 1sji s LYS 309 Ca -0.09 1.29 -0.17 0.00 -0.36 0.00 0.00 55.97 56.64 1sji s LYS 309 Cb 0.08 -2.07 -0.13 0.00 -1.51 0.00 0.00 37.83 34.20 1sji s LYS 309 CO 0.90 -0.58 -0.61 -2.30 -0.36 0.00 0.00 175.35 172.41 1sji n PRO 310 N -1.41 -0.02 -3.60 4.03 -0.02 -1.26 -4.55 135.00 128.18 1sji n PRO 310 Ca 0.09 -0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.58 1sji n PRO 310 Cb 0.53 -1.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.92 1sji n PRO 310 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sji s GLN 311 N -2.02 0.06 -0.28 -0.52 1.11 -0.99 -4.94 119.66 112.08 1sji s GLN 311 Ca 0.44 -0.03 -0.20 0.00 0.01 0.00 0.00 55.36 55.57 1sji s GLN 311 Cb -0.22 0.02 0.11 0.00 -1.01 0.00 0.00 33.01 31.91 1sji s GLN 311 CO 0.79 -0.03 0.88 -1.50 0.01 0.00 0.00 175.29 175.44 1sji s ILE 312 N -2.08 0.00 0.20 1.08 2.07 -1.26 -2.38 121.20 118.83 1sji s ILE 312 Ca 0.13 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.16 1sji s ILE 312 Cb 0.03 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.70 1sji s ILE 312 CO -0.05 0.00 1.02 -0.83 -1.91 0.00 0.00 174.94 173.17 1sji s GLY 313 N 0.90 0.13 -0.79 1.50 0.00 -0.53 -1.36 107.32 107.18 1sji s GLY 313 Ca -0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 1sji s GLY 313 CO -0.11 2.24 0.72 -1.34 0.00 0.00 0.00 173.10 174.61 1sji s VAL 314 N -2.19 5.40 -0.16 1.40 -7.23 0.11 -0.57 120.40 117.16 1sji s VAL 314 Ca 0.21 -2.46 -0.29 0.00 -1.81 0.00 0.00 61.98 57.63 1sji s VAL 314 Cb -0.03 -4.36 -0.01 0.00 0.56 0.00 0.00 36.38 32.54 1sji s VAL 314 CO 0.06 -1.00 1.21 -0.69 -0.31 0.00 0.00 175.10 174.36 1sji s VAL 315 N 0.22 4.37 -0.27 1.32 1.01 -1.06 -1.93 120.40 124.06 1sji s VAL 315 Ca 0.17 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 1sji s VAL 315 Cb -0.12 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1sji s VAL 315 CO -0.08 -0.13 0.53 0.21 0.00 0.00 0.00 175.10 175.64 1sji s ASN 316 N 1.75 6.43 0.05 3.32 2.47 -0.76 -2.85 114.94 125.35 1sji s ASN 316 Ca 0.53 0.47 -0.22 0.00 0.42 0.00 0.00 52.86 54.05 1sji s ASN 316 Cb -0.21 -2.29 -0.14 0.00 -1.45 0.00 0.00 41.25 37.17 1sji s ASN 316 CO 0.14 -0.33 1.51 0.58 -3.72 0.00 0.00 177.10 175.28 1sji h VAL 317 N 5.43 1.22 0.00 -5.21 2.07 -1.75 -3.28 116.25 114.73 1sji h VAL 317 Ca -0.29 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1sji h VAL 317 Cb 1.14 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1sji h VAL 317 CO 0.73 0.20 0.00 1.07 0.02 0.00 0.00 177.57 179.59 1sji n THR 318 N -4.86 0.00 -2.81 2.57 5.66 -1.25 -4.34 114.28 109.25 1sji n THR 318 Ca -0.06 0.86 -0.42 0.00 -3.05 0.00 0.00 64.05 61.37 1sji n THR 318 Cb 0.17 -1.67 -0.03 0.00 -1.55 0.00 0.00 70.33 67.25 1sji n THR 318 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sji s ASP 319 N -1.85 6.91 0.12 1.09 2.15 -1.26 -4.90 116.67 118.94 1sji s ASP 319 Ca 0.00 1.13 0.01 0.00 0.43 0.00 0.00 52.55 54.12 1sji s ASP 319 Cb 0.00 -2.47 0.05 0.00 -0.30 0.00 0.00 42.92 40.20 1sji s ASP 319 CO 0.00 -0.59 0.66 0.00 -0.17 0.00 0.00 175.17 175.08 1sji n ALA 320 N 6.16 0.12 -0.95 3.66 0.00 -1.24 -4.32 120.51 123.94 1sji n ALA 320 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1sji n ALA 320 Cb 0.47 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 19.82 1sji n ALA 320 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sji n ASP 321 N -1.32 -1.82 -3.60 0.00 8.00 -1.26 -4.76 116.55 111.79 1sji n ASP 321 Ca -0.00 -0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.09 1sji n ASP 321 Cb 0.52 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1sji n ASP 321 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sji s SER 322 N -2.03 -0.42 -0.08 -2.24 1.04 -1.26 -1.83 113.70 106.87 1sji s SER 322 Ca 0.09 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.15 1sji s SER 322 Cb -0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1sji s SER 322 CO 0.07 -0.29 -0.19 -0.69 0.98 0.00 0.00 173.24 173.11 1sji s VAL 323 N -0.62 1.69 0.39 5.02 1.01 -0.81 -4.96 120.40 122.12 1sji s VAL 323 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1sji s VAL 323 Cb -0.02 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1sji s VAL 323 CO -0.01 0.48 0.02 0.26 0.00 0.00 0.00 175.10 175.86 1sji s TRP 324 N 0.42 2.52 -0.29 5.22 0.51 -1.26 -0.71 118.94 125.35 1sji s TRP 324 Ca -0.16 -0.60 -0.29 0.00 -2.12 0.00 0.00 56.10 52.93 1sji s TRP 324 Cb -0.17 -1.71 -0.00 0.00 -0.81 0.00 0.00 33.47 30.78 1sji s TRP 324 CO 0.07 0.43 1.33 1.41 -0.51 0.00 0.00 176.95 179.68 1sji s MET 325 N -3.73 3.90 0.00 4.98 1.75 -0.46 -4.75 119.30 120.99 1sji s MET 325 Ca 0.36 1.29 0.00 0.00 -1.25 0.00 0.00 55.69 56.09 1sji s MET 325 Cb 0.06 -3.90 0.00 0.00 2.84 0.00 0.00 34.83 33.84 1sji s MET 325 CO 0.19 -1.14 0.00 0.39 -0.65 0.00 0.00 175.02 173.81 1sji n GLU 326 N 7.35 0.00 -0.46 4.11 -0.58 -1.26 -4.63 120.64 125.17 1sji n GLU 326 Ca 0.15 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 1sji n GLU 326 Cb 0.46 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.54 1sji n GLU 326 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1sji n ILE 327 N 0.00 2.25 -0.03 -3.67 0.13 -1.26 -0.50 119.36 116.28 1sji n ILE 327 Ca 0.00 -2.33 -0.15 0.00 -1.10 0.00 0.00 62.75 59.17 1sji n ILE 327 Cb 0.00 -0.27 -0.09 0.00 -0.84 0.00 0.00 39.64 38.44 1sji n ILE 327 CO 0.00 0.00 0.00 -0.65 2.80 0.00 0.00 176.55 178.70 1sji h PRO 328 N 1.05 0.34 -5.51 9.51 0.11 -2.00 -3.50 132.00 132.00 1sji h PRO 328 Ca 0.06 -0.28 -0.55 0.00 0.11 0.00 0.00 66.00 65.34 1sji h PRO 328 Cb 1.35 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.48 1sji h PRO 328 CO 0.19 0.93 1.60 -3.47 -0.21 0.00 0.00 178.00 177.04 1sji n ASP 329 N -4.41 1.41 -1.96 -2.05 -0.08 0.35 -4.93 116.55 104.89 1sji n ASP 329 Ca -0.08 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1sji n ASP 329 Cb 0.51 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1sji n ASP 329 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1sji n ASP 330 N 11.74 0.00 0.12 1.67 -0.08 -1.26 -4.90 116.55 123.83 1sji n ASP 330 Ca 0.50 -0.44 0.08 0.00 -1.51 0.00 0.00 54.79 53.42 1sji n ASP 330 Cb 0.23 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.10 1sji n ASP 330 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1sji n ASP 331 N -1.31 0.39 -4.55 1.67 8.00 -1.26 -4.48 116.55 115.00 1sji n ASP 331 Ca 0.00 0.67 -0.37 0.00 0.71 0.00 0.00 54.79 55.81 1sji n ASP 331 Cb 0.00 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 1sji n ASP 331 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1sji s ASP 332 N -3.70 4.62 -0.10 -2.24 -0.00 -1.26 -4.93 116.67 109.06 1sji s ASP 332 Ca -0.02 0.94 -0.30 0.00 -0.00 0.00 0.00 52.55 53.17 1sji s ASP 332 Cb 0.04 -2.51 -0.02 0.00 -0.00 0.00 0.00 42.92 40.44 1sji s ASP 332 CO 0.14 -2.77 1.15 -0.22 -0.00 0.00 0.00 175.17 173.46 1sji s LEU 333 N 11.52 4.24 1.06 1.23 2.96 -1.26 -5.00 118.68 133.42 1sji s LEU 333 Ca 0.91 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 56.39 1sji s LEU 333 Cb -0.16 -3.55 0.22 0.00 0.50 0.00 0.00 46.19 43.20 1sji s LEU 333 CO 0.25 -0.58 1.07 -2.84 -1.32 0.00 0.00 176.35 172.93 1sji s PRO 334 N 2.41 -0.05 0.30 0.98 0.02 -1.26 -5.05 135.00 132.35 1sji s PRO 334 Ca 0.53 0.89 0.06 0.00 0.02 0.00 0.00 61.00 62.50 1sji s PRO 334 Cb -0.22 -1.65 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 1sji s PRO 334 CO 0.19 -3.15 0.44 0.95 -0.33 0.00 0.00 177.00 175.09 1sji s THR 335 N -2.65 4.52 0.31 0.99 -4.23 -1.26 -4.97 115.64 108.35 1sji s THR 335 Ca 0.67 -0.97 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 1sji s THR 335 Cb -0.22 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.34 1sji s THR 335 CO 0.61 -0.23 1.76 0.00 -0.54 0.00 0.00 174.62 176.22 1sji h ALA 336 N 0.98 1.71 0.59 3.99 0.00 -1.97 -0.87 119.26 123.70 1sji h ALA 336 Ca -0.48 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1sji h ALA 336 Cb 1.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1sji h ALA 336 CO 0.56 -0.12 -0.28 0.93 0.00 0.00 0.00 179.25 180.34 1sji h GLU 337 N 0.71 -0.77 -0.72 0.00 3.07 -1.95 -2.80 114.58 112.12 1sji h GLU 337 Ca 0.60 0.05 0.18 0.00 -0.50 0.00 0.00 59.36 59.69 1sji h GLU 337 Cb 1.00 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1sji h GLU 337 CO -0.41 -0.50 0.50 0.93 -1.40 0.00 0.00 179.01 178.13 1sji h GLU 338 N -0.84 0.18 -0.00 2.33 5.08 -1.56 -2.90 114.58 116.87 1sji h GLU 338 Ca -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1sji h GLU 338 Cb 0.63 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1sji h GLU 338 CO 0.13 0.12 -0.00 1.25 -1.00 0.00 0.00 179.01 179.51 1sji h LEU 339 N 0.19 0.01 0.08 1.33 7.12 -1.14 -0.67 115.31 122.23 1sji h LEU 339 Ca 0.35 -0.46 0.01 0.00 0.13 0.00 0.00 57.88 57.91 1sji h LEU 339 Cb 1.10 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 1sji h LEU 339 CO -0.06 0.47 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.48 1sji h GLU 340 N -0.45 -0.29 -0.67 1.25 4.22 -1.30 -0.25 114.58 117.08 1sji h GLU 340 Ca 0.00 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.59 1sji h GLU 340 Cb 0.47 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 1sji h GLU 340 CO 0.00 -0.20 -0.22 0.22 -2.18 0.00 0.00 179.01 176.63 1sji h ASP 341 N -0.30 -0.81 -0.54 1.04 -0.00 -1.57 0.69 116.42 114.93 1sji h ASP 341 Ca 0.03 0.22 -0.01 0.00 -0.00 0.00 0.00 57.03 57.26 1sji h ASP 341 Cb 0.33 0.48 -0.02 0.00 -0.00 0.00 0.00 39.33 40.12 1sji h ASP 341 CO -0.10 -0.25 0.28 -0.25 -0.00 0.00 0.00 179.24 178.92 1sji h TRP 342 N -0.05 0.75 -0.38 0.28 7.01 0.51 -3.27 115.95 120.80 1sji h TRP 342 Ca 0.31 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.17 1sji h TRP 342 Cb 0.53 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1sji h TRP 342 CO -0.59 0.56 -0.23 0.82 -2.79 0.00 0.00 178.44 176.21 1sji h ILE 343 N 0.72 1.28 -0.04 2.65 2.04 0.17 -3.31 117.51 121.03 1sji h ILE 343 Ca 0.19 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1sji h ILE 343 Cb 0.07 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1sji h ILE 343 CO -0.03 0.46 -0.04 -0.08 0.00 0.00 0.00 178.15 178.46 1sji h GLU 344 N 0.62 0.06 -3.04 2.37 4.57 -0.67 -1.78 114.58 116.70 1sji h GLU 344 Ca 0.08 -0.01 -0.72 0.00 -1.18 0.00 0.00 59.36 57.53 1sji h GLU 344 Cb 0.79 -0.01 -0.34 0.00 -0.16 0.00 0.00 28.75 29.03 1sji h GLU 344 CO 0.06 0.10 0.07 -3.47 -1.18 0.00 0.00 179.01 174.60 1sji n ASP 345 N -4.46 4.77 0.16 1.04 -0.08 -1.24 -2.14 116.55 114.60 1sji n ASP 345 Ca -0.02 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.01 1sji n ASP 345 Cb 0.14 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1sji n ASP 345 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1sji n VAL 346 N 1.84 0.00 0.45 5.18 0.31 -1.04 -4.35 118.33 120.73 1sji n VAL 346 Ca 0.24 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.38 1sji n VAL 346 Cb 0.37 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.20 1sji n VAL 346 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1sji h LEU 347 N 0.00 -1.07 0.00 7.52 5.85 -1.42 -3.35 115.31 122.85 1sji h LEU 347 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sji h LEU 347 Cb 0.00 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1sji h LEU 347 CO 0.00 -0.72 -0.49 0.28 -0.34 0.00 0.00 178.44 177.18 1sji h SER 348 N -1.17 0.00 -2.19 1.25 0.02 -1.66 -3.49 113.55 106.31 1sji h SER 348 Ca -0.11 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.36 1sji h SER 348 Cb 0.91 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.54 1sji h SER 348 CO 0.16 0.75 0.14 -0.83 -1.14 0.00 0.00 176.83 175.91 1sji s GLY 349 N -4.20 1.76 -0.12 -3.77 0.00 -1.23 -4.99 107.32 94.76 1sji s GLY 349 Ca -0.14 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.53 1sji s GLY 349 CO 0.21 -1.14 1.77 -1.59 0.00 0.00 0.00 173.10 172.34 1sji s LYS 350 N -5.23 3.89 0.00 2.90 0.00 -1.26 -2.93 119.74 117.12 1sji s LYS 350 Ca 0.68 2.04 -0.01 0.00 0.00 0.00 0.00 55.97 58.68 1sji s LYS 350 Cb -0.05 -4.09 -0.00 0.00 0.00 0.00 0.00 37.83 33.70 1sji s LYS 350 CO 0.45 -1.20 0.10 -0.89 0.00 0.00 0.00 175.35 173.82 1sji n ILE 351 N 6.13 -0.02 0.00 3.79 5.41 -1.26 -4.37 119.36 129.05 1sji n ILE 351 Ca 0.20 0.16 0.00 0.00 1.00 0.00 0.00 62.75 64.11 1sji n ILE 351 Cb 0.44 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 1sji n ILE 351 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14