#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y59 s VAL 17 N 0.00 5.27 -0.44 1.39 1.01 0.42 -3.94 120.40 124.10 1y59 s VAL 17 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1y59 s VAL 17 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1y59 s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1y59 n GLY 18 N 3.02 0.70 0.00 4.51 0.00 -1.23 -1.42 105.19 110.77 1y59 n GLY 18 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1y59 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y59 n GLY 19 N -2.21 1.70 3.16 -0.02 0.00 -1.26 -4.87 105.19 101.68 1y59 n GLY 19 Ca -0.04 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1y59 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y59 s TYR 20 N 2.27 0.23 0.03 1.61 1.13 -0.00 -4.94 117.35 117.68 1y59 s TYR 20 Ca 0.00 -0.64 -0.30 0.00 -1.41 0.00 0.00 57.07 54.72 1y59 s TYR 20 Cb 0.00 -0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.65 1y59 s TYR 20 CO 0.00 -0.46 1.58 0.99 -2.51 0.00 0.00 175.55 175.15 1y59 s THR 21 N -3.47 3.33 0.16 -3.49 2.01 -1.26 -0.74 115.64 112.19 1y59 s THR 21 Ca 0.02 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.59 1y59 s THR 21 Cb 0.04 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 69.15 1y59 s THR 21 CO -0.09 -0.01 1.75 0.00 -0.69 0.00 0.00 174.62 175.58 1y59 n GLY 23 N -0.91 2.67 3.69 0.00 0.00 -1.26 -4.85 105.19 104.53 1y59 n GLY 23 Ca 0.03 -1.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1y59 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y59 n ALA 24 N 1.40 2.01 -2.03 4.61 0.00 -1.26 -2.26 120.51 122.98 1y59 n ALA 24 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1y59 n ALA 24 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 16.92 1y59 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y59 n ASN 25 N 4.45 -5.67 -0.05 0.00 4.13 -1.26 -4.86 115.26 112.00 1y59 n ASN 25 Ca 0.17 0.22 0.13 0.00 1.68 0.00 0.00 54.58 56.79 1y59 n ASN 25 Cb 0.33 -4.81 0.50 0.00 -1.54 0.00 0.00 39.78 34.26 1y59 n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1y59 n THR 26 N -3.29 0.00 -3.42 3.41 -2.24 -0.96 -3.95 114.28 103.83 1y59 n THR 26 Ca -0.23 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.26 1y59 n THR 26 Cb 0.68 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 1y59 n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1y59 n VAL 27 N -1.29 1.62 0.60 2.28 0.31 -1.26 -4.99 118.33 115.61 1y59 n VAL 27 Ca 0.09 -4.91 0.09 0.00 -0.01 0.00 0.00 64.34 59.60 1y59 n VAL 27 Cb 0.32 -2.07 0.39 0.00 -0.91 0.00 0.00 33.84 31.57 1y59 n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1y59 n PRO 28 N 1.11 0.02 0.00 5.55 -0.04 -1.25 -1.34 135.00 139.05 1y59 n PRO 28 Ca 0.27 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1y59 n PRO 28 Cb 0.43 -1.54 0.33 0.00 -0.04 0.00 0.00 33.50 32.68 1y59 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1y59 n TYR 29 N -1.58 0.00 -2.54 0.54 0.18 -1.14 -1.86 117.16 110.75 1y59 n TYR 29 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 1y59 n TYR 29 Cb 0.22 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1y59 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1y59 s GLN 30 N -2.82 4.47 0.25 -3.48 2.00 -0.45 -1.12 119.66 118.52 1y59 s GLN 30 Ca 0.16 1.62 0.11 0.00 -2.00 0.00 0.00 55.36 55.25 1y59 s GLN 30 Cb 0.18 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 1y59 s GLN 30 CO 0.62 -0.20 -0.12 0.14 -0.50 0.00 0.00 175.29 175.23 1y59 s VAL 31 N 1.16 2.90 -0.16 1.34 -7.23 -0.39 -4.51 120.40 113.51 1y59 s VAL 31 Ca 0.56 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1y59 s VAL 31 Cb -0.26 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1y59 s VAL 31 CO 0.28 -0.32 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.17 1y59 s SER 32 N -3.39 4.88 -0.15 4.85 0.15 -0.60 -2.08 113.70 117.36 1y59 s SER 32 Ca 0.29 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.62 1y59 s SER 32 Cb -0.06 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1y59 s SER 32 CO 0.16 0.15 0.57 -0.76 1.20 0.00 0.00 173.24 174.57 1y59 s LEU 33 N 0.46 4.22 -0.08 3.45 1.43 0.26 -0.63 118.68 127.79 1y59 s LEU 33 Ca -0.03 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1y59 s LEU 33 Cb -0.14 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.27 1y59 s LEU 33 CO 0.02 -0.13 -0.13 0.21 0.23 0.00 0.00 176.35 176.55 1y59 s ASN 34 N 0.92 2.00 -0.34 2.29 3.84 -0.08 -1.41 114.94 122.16 1y59 s ASN 34 Ca 0.29 -0.34 0.11 0.00 0.21 0.00 0.00 52.86 53.13 1y59 s ASN 34 Cb -0.16 -0.91 0.46 0.00 -0.55 0.00 0.00 41.25 40.09 1y59 s ASN 34 CO 0.12 0.03 1.10 -1.54 -2.79 0.00 0.00 177.10 174.02 1y59 n SER 37 N 3.95 3.60 0.00 -4.21 3.41 -1.26 -0.87 113.62 118.24 1y59 n SER 37 Ca -0.21 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 1y59 n SER 37 Cb 0.52 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1y59 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y59 n GLY 38 N -0.49 0.29 3.56 5.00 0.00 -1.26 -5.02 105.19 107.26 1y59 n GLY 38 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1y59 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y59 s TYR 39 N -2.00 -0.34 0.20 1.61 -0.85 -1.26 -5.14 117.35 109.57 1y59 s TYR 39 Ca 0.00 0.45 -0.31 0.00 -0.52 0.00 0.00 57.07 56.69 1y59 s TYR 39 Cb 0.00 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 42.73 1y59 s TYR 39 CO 0.00 -0.39 1.44 -1.58 -1.52 0.00 0.00 175.55 173.50 1y59 s HIS 40 N -1.85 3.10 0.00 -3.49 5.65 -1.26 -4.18 115.29 113.25 1y59 s HIS 40 Ca 0.01 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.28 1y59 s HIS 40 Cb -0.01 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 1y59 s HIS 40 CO -0.02 -2.68 0.00 1.97 -0.65 0.00 0.00 174.74 173.36 1y59 n PHE 41 N 3.00 0.00 -3.46 3.88 -1.74 -0.50 -4.97 117.46 113.67 1y59 n PHE 41 Ca 0.09 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.85 1y59 n PHE 41 Cb 0.40 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.38 1y59 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1y59 s GLY 43 N -2.37 1.76 0.22 0.00 0.00 0.50 -0.57 107.32 106.86 1y59 s GLY 43 Ca -0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 44.72 42.88 1y59 s GLY 43 CO -0.08 -1.01 0.94 -0.32 0.00 0.00 0.00 173.10 172.63 1y59 s GLY 44 N -4.76 0.02 -0.06 0.20 0.00 -0.89 -3.68 107.32 98.16 1y59 s GLY 44 Ca 0.68 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.17 1y59 s GLY 44 CO 0.46 0.84 -0.11 -0.56 0.00 0.00 0.00 173.10 173.72 1y59 s SER 45 N -3.14 1.64 -0.09 1.64 0.01 -0.14 -1.26 113.70 112.37 1y59 s SER 45 Ca 0.16 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 1y59 s SER 45 Cb -0.03 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 1y59 s SER 45 CO 0.06 0.03 1.15 -0.22 0.41 0.00 0.00 173.24 174.66 1y59 s LEU 46 N 0.67 4.25 -0.01 2.44 2.96 -0.27 -0.72 118.68 128.00 1y59 s LEU 46 Ca -0.14 1.72 0.07 0.00 -0.22 0.00 0.00 54.13 55.56 1y59 s LEU 46 Cb -0.15 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1y59 s LEU 46 CO 0.03 -0.57 0.24 2.30 -1.32 0.00 0.00 176.35 177.03 1y59 n ILE 47 N 4.70 0.00 -3.66 6.68 -5.35 -0.41 -1.05 119.36 120.28 1y59 n ILE 47 Ca 0.11 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.26 1y59 n ILE 47 Cb 0.47 0.66 0.02 0.00 -1.74 0.00 0.00 39.64 39.05 1y59 n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1y59 n ASN 48 N -1.47 -1.90 0.13 7.28 0.23 -1.19 -4.60 115.26 113.75 1y59 n ASN 48 Ca -0.00 -2.31 0.11 0.00 -0.53 0.00 0.00 54.58 51.85 1y59 n ASN 48 Cb 0.16 3.16 0.50 0.00 -2.08 0.00 0.00 39.78 41.51 1y59 n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y59 n SER 49 N -1.44 0.57 -0.07 0.53 3.41 -1.26 -2.82 113.62 112.54 1y59 n SER 49 Ca -0.07 0.69 0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1y59 n SER 49 Cb 0.49 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1y59 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y59 n GLN 50 N -2.18 1.67 -3.99 4.33 6.02 -1.26 -0.44 117.38 121.54 1y59 n GLN 50 Ca 0.01 -0.44 -0.13 0.00 -0.01 0.00 0.00 57.00 56.43 1y59 n GLN 50 Cb 0.14 -0.90 -0.13 0.00 1.02 0.00 0.00 30.24 30.36 1y59 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1y59 s TRP 51 N -0.56 0.24 -0.02 1.08 0.52 -1.13 -1.00 118.94 118.07 1y59 s TRP 51 Ca 0.02 -0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.04 1y59 s TRP 51 Cb 0.02 -0.16 -0.02 0.00 -1.15 0.00 0.00 33.47 32.17 1y59 s TRP 51 CO 0.06 -0.05 -0.23 0.08 0.02 0.00 0.00 176.95 176.83 1y59 s VAL 52 N -0.45 1.82 -0.14 4.03 1.01 -0.09 -1.28 120.40 125.30 1y59 s VAL 52 Ca -0.03 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1y59 s VAL 52 Cb -0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1y59 s VAL 52 CO -0.00 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 174.98 1y59 s VAL 53 N -0.51 4.75 0.06 2.92 1.01 0.10 -0.70 120.40 128.04 1y59 s VAL 53 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1y59 s VAL 53 Cb -0.09 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1y59 s VAL 53 CO -0.01 0.54 0.06 -0.24 0.00 0.00 0.00 175.10 175.45 1y59 n SER 54 N 2.82 -0.15 -4.80 3.32 2.88 -0.14 -0.97 113.62 116.58 1y59 n SER 54 Ca -0.18 -1.41 -0.39 0.00 -1.33 0.00 0.00 58.87 55.56 1y59 n SER 54 Cb 0.53 0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 64.28 1y59 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y59 s ALA 55 N -2.19 3.54 0.45 -1.46 0.00 -1.26 -0.98 121.76 119.85 1y59 s ALA 55 Ca 0.07 0.14 0.14 0.00 0.00 0.00 0.00 51.96 52.32 1y59 s ALA 55 Cb 0.00 -2.75 1.05 0.00 0.00 0.00 0.00 23.12 21.43 1y59 s ALA 55 CO 0.05 0.36 2.01 0.00 0.00 0.00 0.00 175.76 178.18 1y59 h ALA 56 N 4.51 2.00 0.00 0.00 0.00 -1.68 -1.24 119.26 122.84 1y59 h ALA 56 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1y59 h ALA 56 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1y59 h ALA 56 CO 0.64 -0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.40 1y59 n HIS 57 N -4.47 0.00 1.65 0.00 1.44 -1.26 -1.35 115.22 111.23 1y59 n HIS 57 Ca 0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.92 1y59 n HIS 57 Cb 0.31 -0.38 0.63 0.00 0.12 0.00 0.00 29.99 30.67 1y59 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1y59 n TYR 59 N -0.24 2.41 -3.62 0.00 9.36 -0.46 -4.99 117.16 119.63 1y59 n TYR 59 Ca 0.20 0.42 -0.07 0.00 3.32 0.00 0.00 57.90 61.77 1y59 n TYR 59 Cb 0.25 -2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 36.46 1y59 n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1y59 s LYS 60 N -0.93 1.15 0.62 2.98 -2.85 -1.26 -5.14 119.74 114.30 1y59 s LYS 60 Ca 0.63 -0.54 -0.04 0.00 -1.00 0.00 0.00 55.97 55.02 1y59 s LYS 60 Cb -0.58 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 35.68 1y59 s LYS 60 CO 0.54 -0.51 0.91 -1.54 0.10 0.00 0.00 175.35 174.84 1y59 s SER 61 N -2.74 5.22 -0.52 0.03 1.04 -1.26 -4.44 113.70 111.03 1y59 s SER 61 Ca 0.08 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 1y59 s SER 61 Cb -0.02 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1y59 s SER 61 CO -0.04 -1.28 0.08 0.61 0.98 0.00 0.00 173.24 173.60 1y59 n GLY 62 N -2.64 0.19 3.73 7.32 0.00 -1.26 -5.01 105.19 107.52 1y59 n GLY 62 Ca 0.06 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1y59 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y59 s ILE 63 N -2.50 4.68 -0.19 -0.61 1.01 -1.26 -4.54 121.20 117.80 1y59 s ILE 63 Ca 0.04 1.83 -0.05 0.00 0.00 0.00 0.00 60.65 62.48 1y59 s ILE 63 Cb -0.02 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1y59 s ILE 63 CO 0.05 0.31 -0.01 -1.58 0.00 0.00 0.00 174.94 173.72 1y59 s GLN 64 N 0.15 3.64 -0.10 2.79 0.74 -0.05 -1.29 119.66 125.55 1y59 s GLN 64 Ca 0.43 -0.51 -0.21 0.00 0.05 0.00 0.00 55.36 55.11 1y59 s GLN 64 Cb -0.21 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 1y59 s GLN 64 CO 0.26 0.08 0.62 0.08 -0.55 0.00 0.00 175.29 175.78 1y59 s VAL 65 N 0.82 5.08 -0.29 1.34 1.01 0.41 -0.90 120.40 127.87 1y59 s VAL 65 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 1y59 s VAL 65 Cb -0.14 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1y59 s VAL 65 CO 0.02 0.25 0.01 -0.13 0.00 0.00 0.00 175.10 175.25 1y59 s ARG 66 N 0.94 2.64 0.21 2.72 0.52 0.20 -1.10 118.95 125.08 1y59 s ARG 66 Ca 0.33 -1.13 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 1y59 s ARG 66 Cb -0.17 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1y59 s ARG 66 CO 0.14 -0.55 0.22 -0.51 0.02 0.00 0.00 175.30 174.62 1y59 s LEU 67 N 1.32 3.97 -0.39 2.53 1.02 0.21 -1.55 118.68 125.78 1y59 s LEU 67 Ca -0.02 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1y59 s LEU 67 Cb -0.19 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.50 1y59 s LEU 67 CO -0.01 -0.00 0.00 0.61 0.02 0.00 0.00 176.35 176.97 1y59 n GLY 69 N -0.92 0.64 3.79 -3.19 0.00 -1.26 -1.56 105.19 102.70 1y59 n GLY 69 Ca -0.08 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1y59 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y59 s GLU 70 N -1.68 4.43 0.00 1.61 0.41 -1.26 -3.96 118.70 118.24 1y59 s GLU 70 Ca 0.00 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.60 1y59 s GLU 70 Cb 0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1y59 s GLU 70 CO 0.00 0.49 0.00 -3.47 -0.49 0.00 0.00 175.26 171.79 1y59 n ASP 71 N 1.22 0.00 -4.61 -0.19 2.03 -1.26 -4.55 116.55 109.19 1y59 n ASP 71 Ca -0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.84 1y59 n ASP 71 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 1y59 n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1y59 s ASN 72 N 0.81 6.31 0.00 1.67 3.84 -1.25 -3.57 114.94 122.75 1y59 s ASN 72 Ca 0.00 1.00 0.22 0.00 0.21 0.00 0.00 52.86 54.29 1y59 s ASN 72 Cb 0.00 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.24 1y59 s ASN 72 CO 0.00 -1.42 1.71 2.30 -2.79 0.00 0.00 177.10 176.90 1y59 n ILE 73 N 6.98 0.35 0.60 -5.21 -5.35 -0.32 -2.97 119.36 113.44 1y59 n ILE 73 Ca 0.17 0.09 0.08 0.00 -0.27 0.00 0.00 62.75 62.82 1y59 n ILE 73 Cb 0.47 -0.72 0.08 0.00 -1.74 0.00 0.00 39.64 37.73 1y59 n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1y59 n ASN 74 N -1.33 2.43 -3.90 7.28 3.02 -1.26 -4.97 115.26 116.53 1y59 n ASN 74 Ca 0.09 -1.70 -0.19 0.00 -0.03 0.00 0.00 54.58 52.76 1y59 n ASN 74 Cb 0.19 -0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.17 1y59 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y59 s VAL 75 N -1.32 0.47 -0.46 2.41 1.01 -1.16 -5.10 120.40 116.25 1y59 s VAL 75 Ca 0.20 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1y59 s VAL 75 Cb 0.14 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1y59 s VAL 75 CO 0.20 0.19 1.16 -0.69 0.00 0.00 0.00 175.10 175.97 1y59 s VAL 76 N 0.70 4.20 -0.46 2.92 1.01 -1.26 -4.70 120.40 122.81 1y59 s VAL 76 Ca -0.09 1.24 0.19 0.00 0.00 0.00 0.00 61.98 63.31 1y59 s VAL 76 Cb -0.12 -4.55 -0.24 0.00 0.00 0.00 0.00 36.38 31.47 1y59 s VAL 76 CO -0.00 -0.94 0.60 -0.62 0.00 0.00 0.00 175.10 174.14 1y59 n GLU 77 N 7.79 0.78 0.00 2.72 1.02 -1.26 -5.01 120.64 126.68 1y59 n GLU 77 Ca 0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1y59 n GLU 77 Cb 0.49 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1y59 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y59 n GLY 78 N 1.43 1.31 0.28 0.62 0.00 -1.26 -4.98 105.19 102.58 1y59 n GLY 78 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1y59 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y59 n ASN 79 N 0.00 2.30 -4.80 1.61 3.02 -1.26 -5.05 115.26 111.09 1y59 n ASN 79 Ca 0.00 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 1y59 n ASN 79 Cb 0.00 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1y59 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1y59 s GLU 80 N -0.93 3.85 -0.08 3.52 8.01 -1.25 -4.36 118.70 127.45 1y59 s GLU 80 Ca 0.10 1.35 0.01 0.00 0.01 0.00 0.00 54.97 56.44 1y59 s GLU 80 Cb 0.05 -2.12 0.02 0.00 -4.31 0.00 0.00 34.13 27.77 1y59 s GLU 80 CO 0.07 -0.39 -0.09 -0.65 0.01 0.00 0.00 175.26 174.21 1y59 s GLN 81 N -3.20 1.49 -0.25 1.61 -0.21 -0.60 -4.97 119.66 113.53 1y59 s GLN 81 Ca 0.66 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.69 1y59 s GLN 81 Cb -0.16 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.47 1y59 s GLN 81 CO 0.20 -0.09 0.01 -0.06 -2.12 0.00 0.00 175.29 173.22 1y59 s PHE 82 N 1.08 3.05 -0.05 0.91 0.08 -1.26 -0.62 117.98 121.16 1y59 s PHE 82 Ca -0.07 -0.89 -0.00 0.00 0.12 0.00 0.00 56.93 56.08 1y59 s PHE 82 Cb -0.14 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 1y59 s PHE 82 CO -0.01 -0.53 -0.01 0.42 -0.10 0.00 0.00 175.22 174.99 1y59 s ILE 83 N 1.50 0.34 0.44 0.64 1.01 -0.26 -4.98 121.20 119.89 1y59 s ILE 83 Ca 0.05 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 1y59 s ILE 83 Cb -0.15 -0.45 -0.08 0.00 0.01 0.00 0.00 42.46 41.79 1y59 s ILE 83 CO -0.00 0.22 1.28 -0.44 0.00 0.00 0.00 174.94 175.99 1y59 s SER 84 N 1.45 6.09 0.22 3.58 0.01 -1.26 -0.44 113.70 123.35 1y59 s SER 84 Ca -0.03 2.58 -0.30 0.00 1.31 0.00 0.00 55.95 59.51 1y59 s SER 84 Cb -0.13 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.38 1y59 s SER 84 CO -0.03 -1.00 1.21 0.00 0.41 0.00 0.00 173.24 173.83 1y59 s ALA 85 N -1.34 3.45 -0.13 1.44 0.00 -0.41 -0.95 121.76 123.83 1y59 s ALA 85 Ca 0.61 1.00 0.19 0.00 0.00 0.00 0.00 51.96 53.76 1y59 s ALA 85 Cb -0.36 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.15 1y59 s ALA 85 CO 0.45 -0.39 0.58 -1.13 0.00 0.00 0.00 175.76 175.28 1y59 n SER 86 N 2.04 0.46 -3.64 0.00 3.41 0.47 -4.73 113.62 111.64 1y59 n SER 86 Ca 0.03 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 1y59 n SER 86 Cb 0.44 0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 65.11 1y59 n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1y59 s LYS 87 N -2.99 0.81 -0.00 4.33 2.20 -1.23 -5.00 119.74 117.86 1y59 s LYS 87 Ca -0.06 0.51 0.06 0.00 -0.36 0.00 0.00 55.97 56.13 1y59 s LYS 87 Cb 0.09 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 1y59 s LYS 87 CO 0.84 -0.17 -0.20 -1.12 -0.36 0.00 0.00 175.35 174.34 1y59 s SER 88 N -0.38 2.32 -0.28 1.43 0.01 -1.26 -0.87 113.70 114.67 1y59 s SER 88 Ca -0.05 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 1y59 s SER 88 Cb -0.03 -0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.05 1y59 s SER 88 CO 0.04 0.22 0.08 -0.63 0.41 0.00 0.00 173.24 173.36 1y59 s ILE 89 N -0.54 0.69 0.32 1.44 1.01 0.78 -5.00 121.20 119.89 1y59 s ILE 89 Ca 0.07 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.33 1y59 s ILE 89 Cb -0.08 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.86 1y59 s ILE 89 CO -0.00 -0.56 1.11 -0.69 0.00 0.00 0.00 174.94 174.80 1y59 s VAL 90 N 1.73 3.43 0.30 2.92 1.01 -1.26 -0.98 120.40 127.55 1y59 s VAL 90 Ca 0.07 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 1y59 s VAL 90 Cb -0.17 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1y59 s VAL 90 CO -0.22 0.26 1.20 1.57 0.00 0.00 0.00 175.10 177.91 1y59 n HIS 91 N 0.84 1.85 0.09 5.22 -0.00 -0.62 -4.84 115.22 117.76 1y59 n HIS 91 Ca 0.00 0.59 0.15 0.00 0.46 0.00 0.00 57.72 58.93 1y59 n HIS 91 Cb 0.45 -2.36 0.65 0.00 -0.12 0.00 0.00 29.99 28.62 1y59 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1y59 h PRO 92 N 2.69 0.04 -0.55 1.57 0.13 -1.93 -2.10 132.00 131.85 1y59 h PRO 92 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1y59 h PRO 92 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1y59 h PRO 92 CO 0.65 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.87 1y59 n SER 93 N -4.45 4.04 -4.68 1.44 7.64 -1.26 -5.01 113.62 111.35 1y59 n SER 93 Ca 0.05 -2.30 -0.45 0.00 1.01 0.00 0.00 58.87 57.18 1y59 n SER 93 Cb 0.39 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1y59 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y59 n TYR 94 N 0.91 2.32 -4.03 1.43 9.36 -0.79 -4.68 117.16 121.68 1y59 n TYR 94 Ca 0.22 0.29 -0.33 0.00 3.32 0.00 0.00 57.90 61.39 1y59 n TYR 94 Cb 0.72 -2.54 -0.15 0.00 -0.63 0.00 0.00 39.34 36.74 1y59 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1y59 s ASN 95 N 0.78 4.46 0.43 2.98 3.84 -0.64 -5.00 114.94 121.78 1y59 s ASN 95 Ca 0.75 -1.29 0.29 0.00 0.21 0.00 0.00 52.86 52.82 1y59 s ASN 95 Cb -0.65 -1.59 1.03 0.00 -0.55 0.00 0.00 41.25 39.49 1y59 s ASN 95 CO 0.40 -0.19 1.83 0.77 -2.79 0.00 0.00 177.10 177.12 1y59 h SER 96 N 7.85 0.00 0.20 -4.21 4.64 -1.93 0.27 113.55 120.37 1y59 h SER 96 Ca -0.22 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.86 1y59 h SER 96 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1y59 h SER 96 CO 0.50 0.00 -0.98 -0.08 -0.87 0.00 0.00 176.83 175.39 1y59 h GLU 97 N 0.00 0.53 0.00 4.77 4.81 -1.97 -3.36 114.58 119.36 1y59 h GLU 97 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1y59 h GLU 97 Cb 0.60 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1y59 h GLU 97 CO 0.00 1.20 -0.64 0.25 -0.73 0.00 0.00 179.01 179.09 1y59 n THR 98 N -3.79 0.00 -1.98 0.32 -2.24 -1.12 -5.00 114.28 100.47 1y59 n THR 98 Ca -0.08 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 1y59 n THR 98 Cb 0.85 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.98 1y59 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1y59 n TYR 99 N -1.33 -0.59 -2.16 4.78 4.02 0.94 -4.98 117.16 117.84 1y59 n TYR 99 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1y59 n TYR 99 Cb 0.20 -3.51 -0.03 0.00 -0.02 0.00 0.00 39.34 35.98 1y59 n TYR 99 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1y59 s ASN 100 N -2.33 6.82 -1.10 7.72 2.47 -1.21 -2.72 114.94 124.58 1y59 s ASN 100 Ca 0.00 2.40 -0.01 0.00 0.42 0.00 0.00 52.86 55.67 1y59 s ASN 100 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1y59 s ASN 100 CO 0.00 -0.63 0.92 0.59 -3.72 0.00 0.00 177.10 174.26 1y59 n ASN 101 N 3.43 -2.49 -4.39 -4.21 3.02 -1.26 -1.62 115.26 107.74 1y59 n ASN 101 Ca 0.10 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.67 1y59 n ASN 101 Cb 0.42 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 1y59 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1y59 n ASP 102 N -2.88 4.83 -3.73 6.41 2.03 -1.10 -4.24 116.55 117.87 1y59 n ASP 102 Ca -0.23 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.02 1y59 n ASP 102 Cb 0.64 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 1y59 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1y59 s ILE 103 N 3.38 0.01 -0.00 5.18 2.07 -1.26 -3.89 121.20 126.69 1y59 s ILE 103 Ca 0.50 -0.12 -0.09 0.00 -1.41 0.00 0.00 60.65 59.53 1y59 s ILE 103 Cb 0.05 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 42.04 1y59 s ILE 103 CO 0.03 -0.07 0.17 0.00 -1.91 0.00 0.00 174.94 173.17 1y59 s MET 104 N -0.26 0.51 -0.08 3.50 0.23 -0.15 -1.59 119.30 121.46 1y59 s MET 104 Ca -0.04 -0.36 -0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1y59 s MET 104 Cb -0.03 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1y59 s MET 104 CO 0.02 -0.13 -0.03 -0.51 -2.03 0.00 0.00 175.02 172.34 1y59 s LEU 105 N -1.36 3.37 -0.12 0.18 1.43 -0.15 -0.97 118.68 121.06 1y59 s LEU 105 Ca -0.14 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1y59 s LEU 105 Cb -0.07 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1y59 s LEU 105 CO 0.02 0.36 -0.14 -0.63 0.23 0.00 0.00 176.35 176.18 1y59 s ILE 106 N -0.75 1.50 -0.01 -0.59 1.01 0.12 -0.15 121.20 122.33 1y59 s ILE 106 Ca 0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1y59 s ILE 106 Cb -0.11 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1y59 s ILE 106 CO 0.02 0.44 0.37 -0.75 0.00 0.00 0.00 174.94 175.02 1y59 s LYS 107 N 1.20 3.84 0.12 2.79 2.20 -0.05 -0.92 119.74 128.91 1y59 s LYS 107 Ca -0.02 0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 55.64 1y59 s LYS 107 Cb -0.14 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 1y59 s LYS 107 CO -0.05 0.69 0.82 -0.51 -0.36 0.00 0.00 175.35 175.94 1y59 s LEU 108 N -1.15 4.53 0.46 5.43 1.43 -0.17 -0.39 118.68 128.81 1y59 s LEU 108 Ca 0.23 1.62 0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1y59 s LEU 108 Cb -0.16 -3.34 1.03 0.00 0.03 0.00 0.00 46.19 43.75 1y59 s LEU 108 CO 0.13 0.09 2.05 0.50 0.23 0.00 0.00 176.35 179.35 1y59 h LYS 109 N 5.03 0.17 -4.55 1.70 3.64 -1.33 -3.43 116.57 117.81 1y59 h LYS 109 Ca -0.45 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 58.63 1y59 h LYS 109 Cb 1.21 -0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.78 1y59 h LYS 109 CO 0.69 0.19 -0.74 -1.54 -2.27 0.00 0.00 179.45 175.78 1y59 s SER 110 N -6.94 0.84 0.33 4.20 1.04 -1.26 -4.99 113.70 106.92 1y59 s SER 110 Ca -0.06 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.57 1y59 s SER 110 Cb 0.17 0.03 -0.11 0.00 0.10 0.00 0.00 66.02 66.20 1y59 s SER 110 CO 0.70 -0.18 1.51 0.00 0.98 0.00 0.00 173.24 176.24 1y59 s ALA 111 N -1.29 3.64 0.52 5.32 0.00 -1.26 -4.90 121.76 123.79 1y59 s ALA 111 Ca -0.09 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 1y59 s ALA 111 Cb -0.09 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1y59 s ALA 111 CO 0.00 -0.96 1.27 0.00 0.00 0.00 0.00 175.76 176.07 1y59 s ALA 112 N -0.60 2.85 -0.48 0.00 0.00 0.42 -4.98 121.76 118.96 1y59 s ALA 112 Ca 0.57 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 53.44 1y59 s ALA 112 Cb -0.46 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.20 1y59 s ALA 112 CO 0.55 -1.09 0.92 -1.54 0.00 0.00 0.00 175.76 174.60 1y59 s SER 113 N -1.16 6.46 0.14 0.00 1.04 -1.26 -4.85 113.70 114.06 1y59 s SER 113 Ca 0.69 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 1y59 s SER 113 Cb -0.35 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 1y59 s SER 113 CO 0.42 -1.08 1.01 -0.76 0.98 0.00 0.00 173.24 173.80 1y59 s LEU 114 N 3.78 4.50 0.00 2.42 1.43 -1.26 -4.84 118.68 124.71 1y59 s LEU 114 Ca 0.35 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 1y59 s LEU 114 Cb -0.11 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1y59 s LEU 114 CO 0.25 -0.11 0.08 -0.46 0.23 0.00 0.00 176.35 176.34 1y59 n ASN 115 N 2.61 -0.24 0.28 2.29 0.23 0.13 -4.98 115.26 115.58 1y59 n ASN 115 Ca 0.02 -1.20 0.17 0.00 -0.53 0.00 0.00 54.58 53.04 1y59 n ASN 115 Cb 0.48 0.41 0.71 0.00 -2.08 0.00 0.00 39.78 39.30 1y59 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1y59 h SER 116 N 0.23 0.00 0.05 0.53 4.64 -2.00 -2.15 113.55 114.85 1y59 h SER 116 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1y59 h SER 116 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1y59 h SER 116 CO 0.05 0.04 -0.57 0.54 -0.87 0.00 0.00 176.83 176.02 1y59 n ARG 117 N -3.17 0.83 -3.51 4.77 1.74 -1.26 -4.76 116.66 111.30 1y59 n ARG 117 Ca 0.00 -0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 56.13 1y59 n ARG 117 Cb 0.29 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 1y59 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y59 s VAL 118 N -2.62 -0.01 0.02 1.55 1.01 -0.81 -4.11 120.40 115.43 1y59 s VAL 118 Ca 0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1y59 s VAL 118 Cb 0.18 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1y59 s VAL 118 CO 0.64 -0.82 -0.01 0.00 0.00 0.00 0.00 175.10 174.91 1y59 s ALA 119 N 1.74 0.09 0.54 5.51 0.00 -0.78 -0.69 121.76 128.17 1y59 s ALA 119 Ca 0.12 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 1y59 s ALA 119 Cb -0.18 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1y59 s ALA 119 CO -0.23 -0.18 0.96 -1.54 0.00 0.00 0.00 175.76 174.77 1y59 s SER 120 N -1.52 6.41 -0.07 0.00 1.04 -1.26 -2.90 113.70 115.39 1y59 s SER 120 Ca -0.15 1.38 0.02 0.00 0.48 0.00 0.00 55.95 57.69 1y59 s SER 120 Cb -0.09 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1y59 s SER 120 CO -0.01 -0.68 -0.13 -0.51 0.98 0.00 0.00 173.24 172.89 1y59 s ILE 121 N -2.84 3.18 0.43 -1.02 1.10 -0.21 -4.86 121.20 116.98 1y59 s ILE 121 Ca 0.55 -0.67 -0.24 0.00 -0.51 0.00 0.00 60.65 59.78 1y59 s ILE 121 Cb -0.10 -2.27 -0.08 0.00 0.15 0.00 0.00 42.46 40.15 1y59 s ILE 121 CO 0.42 0.58 1.19 -0.44 -2.11 0.00 0.00 174.94 174.59 1y59 s SER 122 N -0.54 6.28 0.46 4.50 0.01 -1.26 -4.58 113.70 118.57 1y59 s SER 122 Ca 0.07 2.39 -0.20 0.00 1.31 0.00 0.00 55.95 59.52 1y59 s SER 122 Cb -0.12 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 1y59 s SER 122 CO 0.02 -0.84 0.98 -0.76 0.41 0.00 0.00 173.24 173.04 1y59 s LEU 123 N -2.76 3.87 0.66 2.44 1.43 -1.26 -1.21 118.68 121.85 1y59 s LEU 123 Ca 0.60 1.75 -0.16 0.00 -1.03 0.00 0.00 54.13 55.30 1y59 s LEU 123 Cb -0.31 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.36 1y59 s LEU 123 CO 0.39 -0.52 1.13 -2.16 0.23 0.00 0.00 176.35 175.41 1y59 s PRO 124 N -3.31 2.76 -0.01 1.29 0.04 -1.26 -4.81 135.00 129.70 1y59 s PRO 124 Ca 0.63 1.50 0.22 0.00 0.04 0.00 0.00 61.00 63.38 1y59 s PRO 124 Cb -0.11 -1.94 -0.28 0.00 0.04 0.00 0.00 34.50 32.21 1y59 s PRO 124 CO 0.17 -1.30 0.70 0.25 0.04 0.00 0.00 177.00 176.86 1y59 n THR 125 N -2.31 0.00 -3.59 1.26 -2.24 -1.26 -4.96 114.28 101.18 1y59 n THR 125 Ca 0.11 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1y59 n THR 125 Cb 0.51 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1y59 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y59 s SER 127 N -3.76 -0.36 0.69 3.42 1.04 -1.26 -5.17 113.70 108.30 1y59 s SER 127 Ca 0.00 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.05 1y59 s SER 127 Cb 0.15 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1y59 s SER 127 CO 0.89 -0.96 1.07 0.00 0.98 0.00 0.00 173.24 175.22 1y59 s ALA 129 N -2.86 3.68 0.29 0.00 0.00 -1.26 -5.09 121.76 116.52 1y59 s ALA 129 Ca 0.60 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1y59 s ALA 129 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1y59 s ALA 129 CO 0.51 0.41 0.49 -1.54 0.00 0.00 0.00 175.76 175.63 1y59 s SER 130 N -2.88 6.34 0.42 0.00 1.04 -1.26 -5.04 113.70 112.32 1y59 s SER 130 Ca 0.43 0.43 -0.25 0.00 0.48 0.00 0.00 55.95 57.04 1y59 s SER 130 Cb -0.11 -2.02 -0.10 0.00 0.10 0.00 0.00 66.02 63.89 1y59 s SER 130 CO 0.27 -0.20 1.23 0.00 0.98 0.00 0.00 173.24 175.52 1y59 n ALA 132 N -1.37 1.10 0.00 5.32 0.00 -1.26 -2.17 120.51 122.13 1y59 n ALA 132 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1y59 n ALA 132 Cb 0.55 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1y59 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y59 n GLY 133 N 0.88 1.43 3.76 0.00 0.00 0.39 -4.98 105.19 106.68 1y59 n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1y59 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y59 s THR 134 N -2.47 2.96 0.15 2.61 2.01 -0.92 -4.65 115.64 115.32 1y59 s THR 134 Ca 0.00 0.95 -0.23 0.00 0.31 0.00 0.00 61.69 62.72 1y59 s THR 134 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1y59 s THR 134 CO 0.00 0.22 0.71 -1.10 -0.69 0.00 0.00 174.62 173.76 1y59 s GLN 135 N -1.54 4.42 0.12 4.92 -1.52 -1.26 -1.11 119.66 123.69 1y59 s GLN 135 Ca 0.48 1.00 0.03 0.00 -1.95 0.00 0.00 55.36 54.93 1y59 s GLN 135 Cb -0.37 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.16 1y59 s GLN 135 CO 0.48 0.57 -0.09 0.00 -0.25 0.00 0.00 175.29 176.01 1y59 s LEU 137 N -3.08 3.04 -0.06 0.00 2.96 0.12 -0.99 118.68 120.66 1y59 s LEU 137 Ca 0.14 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1y59 s LEU 137 Cb 0.03 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1y59 s LEU 137 CO -0.02 0.04 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.24 1y59 s ILE 138 N 1.12 2.67 0.06 6.68 1.01 0.18 -1.34 121.20 131.59 1y59 s ILE 138 Ca 0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1y59 s ILE 138 Cb -0.15 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1y59 s ILE 138 CO 0.00 0.57 0.13 -0.94 0.00 0.00 0.00 174.94 174.71 1y59 s SER 139 N -0.39 0.16 0.00 3.58 1.04 -1.21 -0.12 113.70 116.76 1y59 s SER 139 Ca 0.04 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1y59 s SER 139 Cb -0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1y59 s SER 139 CO 0.02 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1y59 n GLY 140 N 0.41 -0.19 1.56 7.32 0.00 -0.40 -4.42 105.19 109.46 1y59 n GLY 140 Ca -0.17 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1y59 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1y59 n TRP 141 N -0.61 1.75 -1.41 1.61 8.01 -1.26 -1.86 117.44 123.67 1y59 n TRP 141 Ca 0.00 -0.91 -0.30 0.00 -1.31 0.00 0.00 57.50 54.98 1y59 n TRP 141 Cb 0.00 -0.48 0.22 0.00 -2.01 0.00 0.00 31.31 29.04 1y59 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1y59 s GLY 142 N -1.30 1.67 0.38 6.99 0.00 -1.25 -4.33 107.32 109.49 1y59 s GLY 142 Ca 0.50 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.87 1y59 s GLY 142 CO 0.12 -0.23 1.18 -2.01 0.00 0.00 0.00 173.10 172.16 1y59 n ASN 143 N -4.42 2.12 -0.64 1.64 5.15 0.13 -3.10 115.26 116.15 1y59 n ASN 143 Ca 0.15 1.13 0.07 0.00 -0.60 0.00 0.00 54.58 55.32 1y59 n ASN 143 Cb 0.60 -1.43 0.09 0.00 -0.53 0.00 0.00 39.78 38.51 1y59 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1y59 n THR 144 N -0.08 0.22 -4.65 -0.44 -2.24 -0.38 -1.09 114.28 105.62 1y59 n THR 144 Ca 0.07 -0.61 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 1y59 n THR 144 Cb 0.38 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 69.60 1y59 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y59 s LYS 145 N -1.17 1.93 0.11 -0.78 3.01 -1.26 -4.42 119.74 117.16 1y59 s LYS 145 Ca 0.20 -1.06 0.17 0.00 -1.01 0.00 0.00 55.97 54.27 1y59 s LYS 145 Cb 0.13 -2.11 -0.09 0.00 -1.01 0.00 0.00 37.83 34.74 1y59 s LYS 145 CO 0.19 0.52 0.95 1.03 0.51 0.00 0.00 175.35 178.55 1y59 h SER 146 N 4.45 0.00 -3.38 2.83 0.87 -1.94 -3.43 113.55 112.96 1y59 h SER 146 Ca -0.48 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.50 1y59 h SER 146 Cb 1.15 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.78 1y59 h SER 146 CO 0.46 0.54 -0.84 -0.44 -0.53 0.00 0.00 176.83 176.02 1y59 s SER 147 N -5.89 2.34 0.00 6.23 0.01 -1.26 -4.63 113.70 110.49 1y59 s SER 147 Ca -0.01 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1y59 s SER 147 Cb 0.09 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1y59 s SER 147 CO 0.80 0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.14 1y59 n GLY 148 N 3.70 -1.66 3.12 3.44 0.00 -1.26 -4.98 105.19 107.56 1y59 n GLY 148 Ca -0.21 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 1y59 n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y59 s THR 149 N 0.00 -0.38 -0.20 2.61 2.01 -1.26 -4.61 115.64 113.81 1y59 s THR 149 Ca 0.00 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1y59 s THR 149 Cb 0.00 -0.52 0.08 0.00 0.01 0.00 0.00 72.50 72.07 1y59 s THR 149 CO 0.00 0.09 0.46 -0.55 -0.69 0.00 0.00 174.62 173.92 1y59 s SER 150 N 2.18 -0.46 -0.17 3.53 0.15 -1.26 -4.98 113.70 112.69 1y59 s SER 150 Ca -0.03 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.63 1y59 s SER 150 Cb -0.11 1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1y59 s SER 150 CO -0.10 -0.22 -0.02 -0.31 1.20 0.00 0.00 173.24 173.79 1y59 s TYR 151 N 2.20 3.05 0.51 3.44 1.51 -1.26 -1.24 117.35 125.55 1y59 s TYR 151 Ca -0.05 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.60 1y59 s TYR 151 Cb -0.10 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1y59 s TYR 151 CO -0.14 -0.09 0.87 -1.25 -1.11 0.00 0.00 175.55 173.84 1y59 s PRO 152 N 0.58 3.64 -0.11 -1.71 0.04 -1.26 -4.99 135.00 131.18 1y59 s PRO 152 Ca -0.02 0.49 0.19 0.00 0.04 0.00 0.00 61.00 61.70 1y59 s PRO 152 Cb -0.14 -2.27 -0.27 0.00 0.04 0.00 0.00 34.50 31.86 1y59 s PRO 152 CO 0.02 -0.29 0.30 -0.25 0.04 0.00 0.00 177.00 176.83 1y59 n ASP 153 N -2.15 0.08 -4.95 6.66 8.00 -1.26 -4.89 116.55 118.03 1y59 n ASP 153 Ca 0.03 0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.34 1y59 n ASP 153 Cb 0.54 1.32 -0.02 0.00 -0.02 0.00 0.00 41.12 42.95 1y59 n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1y59 s VAL 154 N -2.94 5.19 0.24 2.53 -7.23 -1.26 -1.18 120.40 115.75 1y59 s VAL 154 Ca -0.09 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 1y59 s VAL 154 Cb 0.09 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 1y59 s VAL 154 CO 0.86 -0.40 1.34 -0.22 -0.31 0.00 0.00 175.10 176.37 1y59 s LEU 155 N -4.04 4.41 0.08 1.32 2.96 -1.23 -4.81 118.68 117.37 1y59 s LEU 155 Ca 0.37 2.52 0.05 0.00 -0.22 0.00 0.00 54.13 56.85 1y59 s LEU 155 Cb -0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1y59 s LEU 155 CO 0.32 -0.57 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.21 1y59 s LYS 156 N -0.47 2.45 0.06 1.98 -0.14 -0.78 -1.58 119.74 121.26 1y59 s LYS 156 Ca 0.56 -0.87 0.05 0.00 -1.36 0.00 0.00 55.97 54.35 1y59 s LYS 156 Cb -0.38 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1y59 s LYS 156 CO 0.42 0.54 -0.14 0.00 -0.76 0.00 0.00 175.35 175.41 1y59 s LEU 158 N -1.51 0.63 -0.09 0.00 2.96 0.83 -0.82 118.68 120.68 1y59 s LEU 158 Ca -0.01 0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 1y59 s LEU 158 Cb -0.09 0.47 -0.04 0.00 0.50 0.00 0.00 46.19 47.03 1y59 s LEU 158 CO 0.02 -0.15 0.57 -1.59 -1.32 0.00 0.00 176.35 173.87 1y59 s LYS 159 N 1.20 4.37 -0.19 1.98 -2.85 -1.26 -0.64 119.74 122.35 1y59 s LYS 159 Ca -0.09 0.63 -0.15 0.00 -1.00 0.00 0.00 55.97 55.36 1y59 s LYS 159 Cb -0.11 -3.43 0.05 0.00 -2.06 0.00 0.00 37.83 32.28 1y59 s LYS 159 CO -0.07 0.14 0.49 0.00 0.10 0.00 0.00 175.35 176.01 1y59 s ALA 160 N 0.62 -1.23 0.34 0.59 0.00 -0.16 -4.97 121.76 116.94 1y59 s ALA 160 Ca 0.31 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.68 1y59 s ALA 160 Cb -0.16 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 1y59 s ALA 160 CO 0.14 -0.25 0.68 -1.25 0.00 0.00 0.00 175.76 175.07 1y59 s PRO 161 N 0.65 3.79 0.07 0.00 0.04 -1.26 -0.83 135.00 137.46 1y59 s PRO 161 Ca -0.03 0.37 -0.31 0.00 0.04 0.00 0.00 61.00 61.07 1y59 s PRO 161 Cb -0.05 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1y59 s PRO 161 CO -0.04 0.11 1.51 0.42 0.04 0.00 0.00 177.00 179.04 1y59 s ILE 162 N -2.15 3.24 0.37 0.56 1.01 -0.27 -1.70 121.20 122.26 1y59 s ILE 162 Ca 0.49 0.76 -0.11 0.00 0.00 0.00 0.00 60.65 61.79 1y59 s ILE 162 Cb -0.11 -3.49 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1y59 s ILE 162 CO 0.27 0.02 0.74 -0.76 0.00 0.00 0.00 174.94 175.20 1y59 s LEU 163 N 2.00 3.92 0.69 2.97 1.43 -0.20 -0.46 118.68 129.03 1y59 s LEU 163 Ca 0.68 1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 1y59 s LEU 163 Cb -0.37 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 41.88 1y59 s LEU 163 CO 0.30 -0.32 1.27 -0.94 0.23 0.00 0.00 176.35 176.88 1y59 s SER 164 N -2.89 4.35 0.31 2.29 1.04 -1.26 -4.59 113.70 112.94 1y59 s SER 164 Ca 0.51 2.54 -0.00 0.00 0.48 0.00 0.00 55.95 59.48 1y59 s SER 164 Cb -0.10 -2.61 0.51 0.00 0.10 0.00 0.00 66.02 63.92 1y59 s SER 164 CO 0.27 -2.17 1.96 0.44 0.98 0.00 0.00 173.24 174.72 1y59 h ASP 165 N 0.16 0.89 -0.57 7.02 3.32 -1.96 -1.63 116.42 123.65 1y59 h ASP 165 Ca -0.50 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 1y59 h ASP 165 Cb 1.32 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1y59 h ASP 165 CO 0.51 0.62 0.11 0.77 -1.72 0.00 0.00 179.24 179.53 1y59 h SER 166 N 1.04 0.92 -0.44 6.45 4.64 -1.98 0.70 113.55 124.88 1y59 h SER 166 Ca 0.31 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 1y59 h SER 166 Cb -0.02 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1y59 h SER 166 CO -0.08 0.92 -0.20 0.77 -0.87 0.00 0.00 176.83 177.37 1y59 h SER 167 N 0.92 0.94 0.27 4.97 4.64 -1.88 0.10 113.55 123.52 1y59 h SER 167 Ca 0.19 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1y59 h SER 167 Cb 0.39 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1y59 h SER 167 CO 0.01 1.13 -0.13 0.00 -0.87 0.00 0.00 176.83 176.97 1y59 h LYS 169 N -0.38 0.05 -0.43 0.00 1.57 -0.78 -2.35 116.57 114.24 1y59 h LYS 169 Ca -0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1y59 h LYS 169 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1y59 h LYS 169 CO 0.06 0.54 0.03 0.77 -0.57 0.00 0.00 179.45 180.28 1y59 h SER 170 N 0.04 0.64 -0.06 0.86 0.02 -0.72 -1.91 113.55 112.41 1y59 h SER 170 Ca -0.00 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 1y59 h SER 170 Cb 0.90 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1y59 h SER 170 CO 0.07 0.69 -0.37 0.00 -1.14 0.00 0.00 176.83 176.08 1y59 h ALA 171 N 1.39 0.88 -2.11 3.77 0.00 -1.02 -3.37 119.26 118.81 1y59 h ALA 171 Ca 0.14 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 54.05 1y59 h ALA 171 Cb 0.36 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 17.63 1y59 h ALA 171 CO 0.01 0.63 -0.87 0.66 0.00 0.00 0.00 179.25 179.68 1y59 n TYR 172 N -4.04 1.73 -1.67 0.00 4.01 -0.92 -4.99 117.16 111.27 1y59 n TYR 172 Ca -0.01 -3.87 -0.45 0.00 -0.16 0.00 0.00 57.90 53.41 1y59 n TYR 172 Cb 0.50 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1y59 n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1y59 n PRO 173 N 0.84 2.09 0.00 -0.72 -0.02 -0.73 -1.67 135.00 134.79 1y59 n PRO 173 Ca 0.26 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1y59 n PRO 173 Cb 0.49 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1y59 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y59 n GLY 174 N 2.59 2.55 0.00 -1.23 0.00 -1.26 -4.84 105.19 103.00 1y59 n GLY 174 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1y59 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y59 n GLN 175 N -2.00 3.38 -3.52 1.61 6.02 -0.67 -4.97 117.38 117.23 1y59 n GLN 175 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1y59 n GLN 175 Cb 0.00 -0.99 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 1y59 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1y59 s ILE 176 N -2.01 5.28 0.50 5.09 -1.09 -1.24 -5.02 121.20 122.71 1y59 s ILE 176 Ca 0.03 0.49 0.07 0.00 -2.23 0.00 0.00 60.65 59.01 1y59 s ILE 176 Cb 0.07 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1y59 s ILE 176 CO 0.40 0.32 0.48 0.42 -1.23 0.00 0.00 174.94 175.33 1y59 s THR 177 N 0.96 2.21 -0.02 2.92 -4.23 -1.26 -5.01 115.64 111.21 1y59 s THR 177 Ca 0.15 -1.31 0.30 0.00 -1.18 0.00 0.00 61.69 59.65 1y59 s THR 177 Cb -0.14 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.51 1y59 s THR 177 CO 0.05 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 176.81 1y59 h SER 178 N 0.73 0.00 -0.13 3.99 4.64 -2.03 -2.09 113.55 118.67 1y59 h SER 178 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1y59 h SER 178 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1y59 h SER 178 CO 0.53 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.08 1y59 n ASN 179 N -2.63 0.68 -4.15 4.97 3.02 -1.26 -4.90 115.26 110.99 1y59 n ASN 179 Ca -0.00 -2.00 -0.15 0.00 -0.03 0.00 0.00 54.58 52.39 1y59 n ASN 179 Cb 0.16 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.13 1y59 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y59 s MET 180 N -1.83 0.78 0.08 3.52 -1.94 -0.79 -0.91 119.30 118.22 1y59 s MET 180 Ca 0.08 -1.04 -0.05 0.00 -1.71 0.00 0.00 55.69 52.98 1y59 s MET 180 Cb 0.04 -0.56 -0.02 0.00 2.01 0.00 0.00 34.83 36.30 1y59 s MET 180 CO 0.06 0.10 0.09 -0.59 -0.01 0.00 0.00 175.02 174.66 1y59 s PHE 181 N -1.97 0.39 0.02 -0.03 -0.12 -0.33 -4.78 117.98 111.16 1y59 s PHE 181 Ca 0.01 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.03 1y59 s PHE 181 Cb -0.06 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 1y59 s PHE 181 CO 0.01 -0.48 0.06 0.00 -0.05 0.00 0.00 175.22 174.76 1y59 s ALA 183 N -1.23 -0.31 0.00 0.00 0.00 -0.90 -1.04 121.76 118.29 1y59 s ALA 183 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1y59 s ALA 183 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1y59 s ALA 183 CO 0.15 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1y59 n GLY 184 N 1.46 0.23 2.70 0.00 0.00 -0.69 -2.83 105.19 106.06 1y59 n GLY 184 Ca -0.23 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 1y59 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y59 s TYR 184 N -1.57 0.02 0.39 1.61 1.51 -1.26 -4.29 117.35 113.76 1y59 s TYR 184 Ca 0.00 0.26 0.37 0.00 -1.01 0.00 0.00 57.07 56.69 1y59 s TYR 184 Cb 0.00 -0.46 1.83 0.00 -0.11 0.00 0.00 41.96 43.22 1y59 s TYR 184 CO 0.00 -0.25 2.16 -0.07 -1.11 0.00 0.00 175.55 176.28 1y59 h LEU 185 N 8.42 0.00 -0.47 -1.29 3.38 -1.95 -1.78 115.31 121.62 1y59 h LEU 185 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1y59 h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1y59 h LEU 185 CO 0.17 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 1y59 n GLU 186 N -3.17 0.22 0.00 1.13 1.02 -1.26 -0.70 120.64 117.88 1y59 n GLU 186 Ca -0.01 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1y59 n GLU 186 Cb 0.20 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1y59 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y59 n GLY 187 N 0.44 -0.43 0.00 0.62 0.00 -0.67 -4.35 105.19 100.80 1y59 n GLY 187 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1y59 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y59 n GLY 188 N -0.43 3.15 2.65 -0.02 0.00 0.16 -4.95 105.19 105.75 1y59 n GLY 188 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1y59 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y59 s LYS 188 N -0.39 0.01 0.18 1.61 1.02 -1.26 -3.49 119.74 117.43 1y59 s LYS 188 Ca 0.00 0.15 -0.24 0.00 0.02 0.00 0.00 55.97 55.90 1y59 s LYS 188 Cb 0.00 -1.15 0.05 0.00 -0.52 0.00 0.00 37.83 36.21 1y59 s LYS 188 CO 0.00 -0.49 0.90 0.34 -0.92 0.00 0.00 175.35 175.18 1y59 s ASP 189 N 2.15 -0.20 0.80 2.83 2.15 -0.51 -4.30 116.67 119.59 1y59 s ASP 189 Ca 0.04 -0.44 -0.10 0.00 0.43 0.00 0.00 52.55 52.48 1y59 s ASP 189 Cb -0.14 0.54 0.11 0.00 -0.30 0.00 0.00 42.92 43.13 1y59 s ASP 189 CO -0.06 -1.00 1.13 -0.94 -0.17 0.00 0.00 175.17 174.13 1y59 s SER 190 N -2.93 4.24 0.37 -0.34 1.04 -1.26 -0.44 113.70 114.38 1y59 s SER 190 Ca 0.12 0.38 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 1y59 s SER 190 Cb -0.02 -0.80 0.04 0.00 0.10 0.00 0.00 66.02 65.34 1y59 s SER 190 CO 0.03 -2.00 0.69 0.00 0.98 0.00 0.00 173.24 172.94 1y59 n GLN 192 N -0.55 1.38 0.00 0.00 0.00 -1.26 -1.10 117.38 115.86 1y59 n GLN 192 Ca -0.05 0.50 0.00 0.00 -0.00 0.00 0.00 57.00 57.44 1y59 n GLN 192 Cb 0.60 -2.13 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1y59 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1y59 n GLY 193 N 2.52 2.14 0.10 1.69 0.00 -1.26 -0.69 105.19 109.68 1y59 n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1y59 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y59 h ASP 194 N 0.00 0.00 -2.54 1.61 3.32 -1.43 -3.32 116.42 114.05 1y59 h ASP 194 Ca 0.00 -0.11 -0.60 0.00 0.02 0.00 0.00 57.03 56.34 1y59 h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1y59 h ASP 194 CO 0.00 0.05 0.14 -1.20 -1.72 0.00 0.00 179.24 176.52 1y59 n SER 195 N -2.30 1.35 0.00 6.45 7.64 -1.26 -1.59 113.62 123.92 1y59 n SER 195 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1y59 n SER 195 Cb 0.46 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1y59 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y59 n GLY 196 N 1.20 2.68 3.92 0.23 0.00 -0.20 -0.37 105.19 112.65 1y59 n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1y59 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y59 s GLY 197 N -1.82 1.72 0.36 -0.02 0.00 -0.62 -3.29 107.32 103.65 1y59 s GLY 197 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.48 1y59 s GLY 197 CO 0.00 -0.35 0.90 2.56 0.00 0.00 0.00 173.10 176.21 1y59 s PRO 198 N -5.78 4.33 -0.25 2.90 0.04 -1.26 -1.34 135.00 133.63 1y59 s PRO 198 Ca 0.70 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1y59 s PRO 198 Cb -0.06 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 32.04 1y59 s PRO 198 CO 0.52 0.14 -0.10 0.08 0.04 0.00 0.00 177.00 177.68 1y59 s VAL 199 N -1.89 2.02 -0.16 -0.36 1.01 -0.26 -3.36 120.40 117.40 1y59 s VAL 199 Ca 0.55 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1y59 s VAL 199 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1y59 s VAL 199 CO 0.18 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.46 1y59 s VAL 200 N 1.17 3.37 -0.09 2.92 1.01 -0.45 -1.07 120.40 127.26 1y59 s VAL 200 Ca -0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1y59 s VAL 200 Cb -0.20 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1y59 s VAL 200 CO -0.05 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.50 1y59 n SER 202 N 4.99 -5.73 0.00 0.00 7.64 -1.26 -1.77 113.62 117.50 1y59 n SER 202 Ca -0.10 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1y59 n SER 202 Cb 0.50 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1y59 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y59 n GLY 203 N -1.64 0.56 3.25 0.23 0.00 -1.26 -5.03 105.19 101.30 1y59 n GLY 203 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1y59 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y59 s LYS 204 N -0.04 1.52 -0.73 1.61 -0.14 -0.73 -4.19 119.74 117.04 1y59 s LYS 204 Ca 0.00 -0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 53.47 1y59 s LYS 204 Cb 0.00 -1.58 -0.01 0.00 -1.68 0.00 0.00 37.83 34.55 1y59 s LYS 204 CO 0.00 0.42 1.73 -1.17 -0.76 0.00 0.00 175.35 175.57 1y59 s LEU 209 N -0.94 3.25 -0.03 3.17 2.96 -0.35 -1.18 118.68 125.57 1y59 s LEU 209 Ca 0.08 -0.18 0.21 0.00 -0.22 0.00 0.00 54.13 54.02 1y59 s LEU 209 Cb -0.09 -2.55 -0.27 0.00 0.50 0.00 0.00 46.19 43.79 1y59 s LEU 209 CO 0.01 -2.28 0.49 0.00 -1.32 0.00 0.00 176.35 173.25 1y59 n GLN 210 N 9.13 0.66 -4.07 1.98 1.13 -0.23 -4.22 117.38 121.75 1y59 n GLN 210 Ca 0.22 -0.10 -0.09 0.00 -1.94 0.00 0.00 57.00 55.09 1y59 n GLN 210 Cb 0.50 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 29.19 1y59 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1y59 s GLY 211 N -4.70 0.64 -0.06 1.08 0.00 -0.65 -1.48 107.32 102.15 1y59 s GLY 211 Ca -0.07 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.47 1y59 s GLY 211 CO 0.88 -1.23 -0.16 -0.42 0.00 0.00 0.00 173.10 172.17 1y59 s ILE 212 N -3.97 1.39 -0.04 0.90 1.01 -1.05 -1.11 121.20 118.33 1y59 s ILE 212 Ca 0.15 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 1y59 s ILE 212 Cb 0.07 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 1y59 s ILE 212 CO -0.04 0.41 2.00 0.52 0.00 0.00 0.00 174.94 177.82 1y59 n VAL 213 N 3.56 0.66 0.01 2.92 0.31 -0.45 -1.09 118.33 124.25 1y59 n VAL 213 Ca -0.21 -0.18 -0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1y59 n VAL 213 Cb 0.52 -2.24 -0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1y59 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1y59 n SER 214 N 7.99 0.34 -3.08 4.52 2.88 -0.98 -1.03 113.62 124.26 1y59 n SER 214 Ca 0.23 0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 1y59 n SER 214 Cb 0.38 -0.11 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1y59 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1y59 s TRP 215 N -1.30 0.26 -0.35 0.66 1.48 -0.69 -4.94 118.94 114.06 1y59 s TRP 215 Ca -0.00 -0.84 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 1y59 s TRP 215 Cb 0.00 0.66 0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1y59 s TRP 215 CO 0.00 -1.46 0.00 0.41 -4.06 0.00 0.00 176.95 171.84 1y59 n GLY 216 N -0.53 -1.21 3.12 3.67 0.00 -1.26 -0.51 105.19 108.46 1y59 n GLY 216 Ca -0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1y59 n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y59 s SER 217 N -4.00 4.25 0.89 1.61 0.15 -1.26 -5.02 113.70 110.31 1y59 s SER 217 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1y59 s SER 217 Cb 0.00 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1y59 s SER 217 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1y59 n GLY 219 N 4.53 0.98 2.81 9.45 0.00 -1.26 -4.60 105.19 117.09 1y59 n GLY 219 Ca -0.16 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1y59 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y59 n ALA 221 N 3.99 -0.57 -1.97 0.00 0.00 -1.26 -4.61 120.51 116.10 1y59 n ALA 221 Ca -0.25 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1y59 n ALA 221 Cb 0.52 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 1y59 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y59 s GLN 221 N -4.82 4.13 0.22 0.00 -1.52 -1.26 -0.67 119.66 115.74 1y59 s GLN 221 Ca 0.00 0.92 -0.32 0.00 -1.95 0.00 0.00 55.36 54.01 1y59 s GLN 221 Cb 0.00 -2.30 -0.13 0.00 -0.22 0.00 0.00 33.01 30.35 1y59 s GLN 221 CO 0.00 0.06 1.48 0.36 -0.25 0.00 0.00 175.29 176.94 1y59 n LYS 222 N -0.50 2.15 -1.80 2.91 2.85 -1.26 -2.31 118.16 120.20 1y59 n LYS 222 Ca 0.05 0.77 -0.19 0.00 -1.05 0.00 0.00 58.31 57.89 1y59 n LYS 222 Cb 0.54 -2.47 -0.06 0.00 -0.65 0.00 0.00 35.03 32.38 1y59 n LYS 222 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1y59 n ASN 223 N 2.52 -5.40 -3.40 -5.58 3.02 0.13 -4.90 115.26 101.64 1y59 n ASN 223 Ca 0.13 0.33 -0.26 0.00 -0.03 0.00 0.00 54.58 54.75 1y59 n ASN 223 Cb 0.31 -4.55 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 1y59 n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1y59 n LYS 224 N -2.56 0.63 -1.40 3.52 5.02 -0.98 -4.71 118.16 117.68 1y59 n LYS 224 Ca -0.20 -3.42 -0.30 0.00 -2.02 0.00 0.00 58.31 52.37 1y59 n LYS 224 Cb 0.65 -1.66 0.11 0.00 -0.02 0.00 0.00 35.03 34.11 1y59 n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y59 s PRO 225 N -0.56 1.65 0.53 1.97 0.04 -1.26 -4.45 135.00 132.93 1y59 s PRO 225 Ca 0.33 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1y59 s PRO 225 Cb 0.07 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1y59 s PRO 225 CO -0.16 -1.94 1.16 0.20 0.04 0.00 0.00 177.00 176.30 1y59 s GLY 226 N -3.70 2.70 -0.09 0.56 0.00 -1.13 -4.65 107.32 101.01 1y59 s GLY 226 Ca 0.62 0.91 0.02 0.00 0.00 0.00 0.00 44.72 46.27 1y59 s GLY 226 CO 0.55 1.30 -0.14 0.14 0.00 0.00 0.00 173.10 174.96 1y59 s VAL 227 N -1.66 3.01 0.00 1.40 1.01 0.33 -2.12 120.40 122.37 1y59 s VAL 227 Ca 0.72 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1y59 s VAL 227 Cb -0.27 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1y59 s VAL 227 CO 0.31 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.52 1y59 s TYR 228 N -0.13 1.22 0.18 5.22 1.51 0.24 -1.70 117.35 123.89 1y59 s TYR 228 Ca -0.01 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 1y59 s TYR 228 Cb -0.14 -0.77 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1y59 s TYR 228 CO 0.03 -0.01 1.34 0.99 -1.11 0.00 0.00 175.55 176.79 1y59 s THR 229 N -0.44 3.19 -0.96 -0.71 2.01 -0.25 -1.19 115.64 117.30 1y59 s THR 229 Ca 0.04 0.95 -0.19 0.00 0.31 0.00 0.00 61.69 62.80 1y59 s THR 229 Cb -0.06 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 68.96 1y59 s THR 229 CO -0.00 0.13 1.20 -0.75 -0.69 0.00 0.00 174.62 174.50 1y59 s LYS 230 N 0.14 3.61 0.52 4.92 2.20 -0.08 -2.53 119.74 128.51 1y59 s LYS 230 Ca 0.59 -1.66 0.19 0.00 -0.36 0.00 0.00 55.97 54.72 1y59 s LYS 230 Cb -0.37 -5.01 1.29 0.00 -1.51 0.00 0.00 37.83 32.23 1y59 s LYS 230 CO 0.37 -1.86 2.09 0.28 -0.36 0.00 0.00 175.35 175.87 1y59 h VAL 231 N 5.98 0.91 0.00 4.02 2.07 -1.55 -2.25 116.25 125.44 1y59 h VAL 231 Ca 0.17 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1y59 h VAL 231 Cb 1.02 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1y59 h VAL 231 CO 1.17 0.01 -0.04 0.00 0.02 0.00 0.00 177.57 178.72 1y59 n ASN 233 N -3.83 0.24 -0.33 0.00 3.02 -0.84 -3.55 115.26 109.97 1y59 n ASN 233 Ca -0.03 0.54 0.03 0.00 -0.03 0.00 0.00 54.58 55.10 1y59 n ASN 233 Cb 0.13 -0.60 0.06 0.00 -0.61 0.00 0.00 39.78 38.76 1y59 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y59 n TYR 234 N -1.75 0.12 -0.19 3.10 4.01 0.36 -4.73 117.16 118.09 1y59 n TYR 234 Ca 0.04 -0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 1y59 n TYR 234 Cb 0.26 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1y59 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1y59 h VAL 235 N 1.31 1.24 -0.54 -0.72 2.07 -1.59 0.15 116.25 118.17 1y59 h VAL 235 Ca 0.00 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1y59 h VAL 235 Cb 0.43 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1y59 h VAL 235 CO 0.00 0.30 0.33 0.28 0.02 0.00 0.00 177.57 178.50 1y59 h SER 236 N 0.76 0.55 -0.56 0.57 0.02 -1.87 -0.47 113.55 112.54 1y59 h SER 236 Ca 0.18 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1y59 h SER 236 Cb 0.28 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1y59 h SER 236 CO -0.01 0.39 0.28 -0.25 -1.14 0.00 0.00 176.83 176.10 1y59 h TRP 237 N 0.66 0.80 0.02 3.45 7.01 -1.76 -1.04 115.95 125.09 1y59 h TRP 237 Ca 0.21 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1y59 h TRP 237 Cb -0.01 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 1y59 h TRP 237 CO -0.06 0.61 -0.03 0.82 -2.79 0.00 0.00 178.44 176.99 1y59 h ILE 238 N 0.76 0.93 -0.56 2.65 2.04 -0.37 0.63 117.51 123.58 1y59 h ILE 238 Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 1y59 h ILE 238 Cb 0.10 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1y59 h ILE 238 CO -0.03 0.00 0.17 0.11 0.00 0.00 0.00 178.15 178.40 1y59 h LYS 239 N -0.06 0.87 -0.49 2.37 1.57 -0.92 -0.86 116.57 119.05 1y59 h LYS 239 Ca 0.01 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1y59 h LYS 239 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1y59 h LYS 239 CO -0.02 0.79 -0.21 1.96 -0.57 0.00 0.00 179.45 181.40 1y59 h GLN 240 N 0.78 1.00 -0.10 3.15 4.20 -1.12 -2.03 115.11 120.99 1y59 h GLN 240 Ca 0.18 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1y59 h GLN 240 Cb 0.29 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1y59 h GLN 240 CO -0.00 1.10 0.03 1.15 -0.67 0.00 0.00 178.83 180.44 1y59 h THR 241 N 0.86 1.16 -0.21 -0.54 2.02 -0.57 -2.46 112.91 113.17 1y59 h THR 241 Ca 0.11 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 1y59 h THR 241 Cb 0.80 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1y59 h THR 241 CO 0.07 0.14 -0.23 0.16 0.37 0.00 0.00 175.52 176.03 1y59 h ILE 242 N -0.01 1.25 0.00 3.11 3.07 -1.17 -2.47 117.51 121.28 1y59 h ILE 242 Ca 0.03 -1.16 -0.03 0.00 1.55 0.00 0.00 64.86 65.25 1y59 h ILE 242 Cb 0.19 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1y59 h ILE 242 CO -0.00 0.36 -0.13 0.00 -1.05 0.00 0.00 178.15 177.33 1y59 h ALA 243 N 1.41 1.02 -0.45 0.16 0.00 -1.20 -2.81 119.26 117.40 1y59 h ALA 243 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1y59 h ALA 243 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1y59 h ALA 243 CO 0.04 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.89 1y59 n SER 244 N -3.28 3.48 0.00 0.00 7.64 -0.94 -5.09 113.62 115.42 1y59 n SER 244 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1y59 n SER 244 Cb 0.38 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1y59 n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62