#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejm s VAL 17 N 0.00 4.07 -0.92 1.39 1.01 0.17 -3.91 120.40 122.21 1ejm s VAL 17 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ejm s VAL 17 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ejm s VAL 17 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1ejm n GLY 18 N 2.94 0.75 0.00 4.51 0.00 -1.23 -1.71 105.19 110.45 1ejm n GLY 18 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ejm n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 19 N -1.59 2.36 3.33 -0.02 0.00 -1.26 -4.85 105.19 103.17 1ejm n GLY 19 Ca -0.10 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1ejm n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ejm s TYR 20 N 3.21 -0.22 -0.07 1.61 -0.85 0.44 -4.94 117.35 116.52 1ejm s TYR 20 Ca 0.00 -0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.17 1ejm s TYR 20 Cb 0.00 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.57 1ejm s TYR 20 CO 0.00 -0.72 1.71 0.99 -1.52 0.00 0.00 175.55 176.01 1ejm s THR 21 N -3.80 3.50 0.70 -3.49 2.01 -1.26 0.87 115.64 114.16 1ejm s THR 21 Ca 0.03 0.60 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 1ejm s THR 21 Cb 0.02 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1ejm s THR 21 CO -0.12 -0.09 1.26 0.00 -0.69 0.00 0.00 174.62 174.99 1ejm s GLY 23 N -1.60 2.65 -0.16 0.00 0.00 -1.26 -4.84 107.32 102.10 1ejm s GLY 23 Ca 0.80 0.95 -0.36 0.00 0.00 0.00 0.00 44.72 46.11 1ejm s GLY 23 CO 0.43 1.33 1.85 0.00 0.00 0.00 0.00 173.10 176.72 1ejm n ALA 24 N -1.74 0.54 -2.09 3.20 0.00 -1.26 -1.03 120.51 118.12 1ejm n ALA 24 Ca 0.13 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1ejm n ALA 24 Cb 0.50 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1ejm n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ejm n ASN 25 N 6.39 -5.67 0.01 0.00 3.02 -1.26 -4.87 115.26 112.88 1ejm n ASN 25 Ca 0.25 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1ejm n ASN 25 Cb 0.24 -4.79 0.48 0.00 -0.61 0.00 0.00 39.78 35.10 1ejm n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ejm n THR 26 N -3.42 0.07 -3.32 3.41 -2.24 -0.20 -4.14 114.28 104.44 1ejm n THR 26 Ca -0.23 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 1ejm n THR 26 Cb 0.68 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 1ejm n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ejm n VAL 27 N -1.60 0.28 0.46 2.28 0.31 -1.26 -4.96 118.33 113.83 1ejm n VAL 27 Ca 0.06 -4.36 0.09 0.00 -0.01 0.00 0.00 64.34 60.12 1ejm n VAL 27 Cb 0.35 -1.98 0.37 0.00 -0.91 0.00 0.00 33.84 31.67 1ejm n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ejm n PRO 28 N 1.41 0.07 0.00 5.55 -0.04 -1.26 -2.82 135.00 137.91 1ejm n PRO 28 Ca 0.25 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 1ejm n PRO 28 Cb 0.48 -1.63 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 1ejm n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ejm n TYR 29 N -1.75 0.00 -2.40 0.54 0.18 -1.11 -1.65 117.16 110.97 1ejm n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.39 1ejm n TYR 29 Cb 0.19 -0.14 -0.03 0.00 -0.38 0.00 0.00 39.34 38.98 1ejm n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1ejm s GLN 30 N -2.91 4.46 0.27 -3.48 2.00 -1.13 -0.57 119.66 118.31 1ejm s GLN 30 Ca 0.12 1.83 0.03 0.00 -2.00 0.00 0.00 55.36 55.34 1ejm s GLN 30 Cb 0.17 -3.29 -0.06 0.00 0.80 0.00 0.00 33.01 30.63 1ejm s GLN 30 CO 0.73 -0.17 0.03 0.14 -0.50 0.00 0.00 175.29 175.51 1ejm s VAL 31 N 0.51 1.03 -0.05 1.34 -7.23 -0.46 -4.55 120.40 111.00 1ejm s VAL 31 Ca 0.56 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 1ejm s VAL 31 Cb -0.31 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1ejm s VAL 31 CO 0.33 -0.17 -0.25 -0.55 -0.31 0.00 0.00 175.10 174.15 1ejm s SER 32 N -3.37 3.03 -0.16 4.85 0.15 -0.52 -1.65 113.70 116.03 1ejm s SER 32 Ca 0.33 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.34 1ejm s SER 32 Cb 0.07 -0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 63.59 1ejm s SER 32 CO 0.12 0.26 0.29 -0.76 1.20 0.00 0.00 173.24 174.35 1ejm s LEU 33 N -0.24 4.25 -0.03 3.45 1.43 0.35 -1.00 118.68 126.89 1ejm s LEU 33 Ca -0.01 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1ejm s LEU 33 Cb -0.13 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1ejm s LEU 33 CO 0.03 0.11 -0.22 0.21 0.23 0.00 0.00 176.35 176.71 1ejm s ASN 34 N 0.42 2.59 -0.28 2.29 3.84 0.43 -1.81 114.94 122.42 1ejm s ASN 34 Ca 0.17 -0.41 0.21 0.00 0.21 0.00 0.00 52.86 53.03 1ejm s ASN 34 Cb -0.13 -0.45 0.50 0.00 -0.55 0.00 0.00 41.25 40.62 1ejm s ASN 34 CO 0.04 0.24 1.08 -0.24 -2.79 0.00 0.00 177.10 175.44 1ejm n SER 37 N 2.73 1.79 0.00 -4.21 2.88 -1.26 -1.50 113.62 114.04 1ejm n SER 37 Ca -0.16 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1ejm n SER 37 Cb 0.52 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1ejm n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ejm n GLY 38 N -0.50 2.08 3.57 0.46 0.00 -1.26 -5.02 105.19 104.52 1ejm n GLY 38 Ca 0.10 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1ejm n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ejm s TYR 39 N -0.37 0.10 0.14 1.61 1.13 -1.26 -5.13 117.35 113.56 1ejm s TYR 39 Ca 0.00 -0.47 -0.31 0.00 -1.41 0.00 0.00 57.07 54.88 1ejm s TYR 39 Cb 0.00 0.31 -0.10 0.00 -1.10 0.00 0.00 41.96 41.07 1ejm s TYR 39 CO 0.00 -0.97 1.64 -1.58 -2.51 0.00 0.00 175.55 172.13 1ejm s HIS 40 N -3.94 2.75 0.00 -3.49 5.65 -1.26 -4.40 115.29 110.60 1ejm s HIS 40 Ca 0.15 0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.90 1ejm s HIS 40 Cb -0.01 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.40 1ejm s HIS 40 CO 0.03 -3.80 0.00 1.97 -0.65 0.00 0.00 174.74 172.29 1ejm n PHE 41 N 4.65 0.00 -3.72 3.88 1.16 -0.75 -4.98 117.46 117.70 1ejm n PHE 41 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1ejm n PHE 41 Cb 0.39 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.21 1ejm n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ejm s GLY 43 N -2.85 1.90 0.16 0.00 0.00 0.21 -0.50 107.32 106.23 1ejm s GLY 43 Ca 0.07 -1.91 -0.25 0.00 0.00 0.00 0.00 44.72 42.62 1ejm s GLY 43 CO -0.08 -1.77 0.96 -0.32 0.00 0.00 0.00 173.10 171.89 1ejm s GLY 44 N -4.58 -0.22 -0.06 0.20 0.00 -0.66 -3.75 107.32 98.25 1ejm s GLY 44 Ca 0.54 0.10 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1ejm s GLY 44 CO 0.34 0.04 -0.13 -0.56 0.00 0.00 0.00 173.10 172.79 1ejm s SER 45 N -2.95 1.80 -0.20 1.64 0.01 -0.13 -1.35 113.70 112.51 1ejm s SER 45 Ca 0.12 -0.30 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 1ejm s SER 45 Cb -0.01 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1ejm s SER 45 CO 0.02 0.04 0.99 -0.22 0.41 0.00 0.00 173.24 174.49 1ejm s LEU 46 N 0.60 4.13 -0.01 2.44 2.96 0.27 -0.61 118.68 128.47 1ejm s LEU 46 Ca -0.14 1.34 0.18 0.00 -0.22 0.00 0.00 54.13 55.30 1ejm s LEU 46 Cb -0.15 -3.47 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 1ejm s LEU 46 CO 0.04 -0.58 0.63 2.30 -1.32 0.00 0.00 176.35 177.41 1ejm n ILE 47 N 5.11 0.00 -3.76 6.68 -5.35 -0.35 -0.62 119.36 121.07 1ejm n ILE 47 Ca 0.10 -0.20 -0.02 0.00 -0.27 0.00 0.00 62.75 62.36 1ejm n ILE 47 Cb 0.47 0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1ejm n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ejm s ASN 48 N -3.22 -0.10 0.67 7.28 6.03 -1.19 -4.57 114.94 119.85 1ejm s ASN 48 Ca 0.02 -0.38 0.34 0.00 -1.03 0.00 0.00 52.86 51.81 1ejm s ASN 48 Cb 0.13 0.39 1.87 0.00 -3.03 0.00 0.00 41.25 40.60 1ejm s ASN 48 CO 0.75 -0.73 2.05 0.77 -2.03 0.00 0.00 177.10 177.91 1ejm h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -2.84 113.55 118.93 1ejm h SER 49 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ejm h SER 49 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ejm h SER 49 CO 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1ejm n GLN 50 N -2.96 1.68 -4.63 4.77 6.02 -1.26 -0.42 117.38 120.58 1ejm n GLN 50 Ca -0.02 -0.32 -0.22 0.00 -0.01 0.00 0.00 57.00 56.43 1ejm n GLN 50 Cb 0.29 -0.81 -0.15 0.00 1.02 0.00 0.00 30.24 30.59 1ejm n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ejm s TRP 51 N -0.33 1.29 -0.02 1.08 0.52 -1.07 0.22 118.94 120.62 1ejm s TRP 51 Ca 0.00 -0.25 0.06 0.00 0.02 0.00 0.00 56.10 55.92 1ejm s TRP 51 Cb 0.00 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 1ejm s TRP 51 CO 0.00 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.85 1ejm s VAL 52 N -0.39 1.49 -0.11 4.03 1.01 0.22 -1.21 120.40 125.44 1ejm s VAL 52 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1ejm s VAL 52 Cb -0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1ejm s VAL 52 CO -0.00 0.42 -0.02 0.54 0.00 0.00 0.00 175.10 176.04 1ejm s VAL 53 N -0.43 4.10 0.00 2.92 0.11 0.22 -0.48 120.40 126.84 1ejm s VAL 53 Ca 0.07 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1ejm s VAL 53 Cb -0.07 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1ejm s VAL 53 CO -0.01 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.08 1ejm n SER 54 N 2.67 0.00 -4.87 3.54 2.88 -0.05 -0.96 113.62 116.83 1ejm n SER 54 Ca -0.18 -0.72 -0.34 0.00 -1.33 0.00 0.00 58.87 56.30 1ejm n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1ejm n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ejm s ALA 55 N -1.63 3.69 0.43 -1.46 0.00 -1.26 -0.32 121.76 121.21 1ejm s ALA 55 Ca 0.00 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.71 1ejm s ALA 55 Cb 0.00 -2.31 0.92 0.00 0.00 0.00 0.00 23.12 21.73 1ejm s ALA 55 CO 0.00 0.55 2.04 0.00 0.00 0.00 0.00 175.76 178.35 1ejm h ALA 56 N 3.50 1.71 0.00 0.00 0.00 -1.67 -1.28 119.26 121.52 1ejm h ALA 56 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ejm h ALA 56 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ejm h ALA 56 CO 0.67 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.77 1ejm n HIS 57 N -4.43 0.00 1.47 0.00 1.44 -1.26 -1.89 115.22 110.55 1ejm n HIS 57 Ca 0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.85 1ejm n HIS 57 Cb 0.13 -0.28 0.51 0.00 0.12 0.00 0.00 29.99 30.47 1ejm n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ejm s TYR 59 N -1.94 2.92 -0.12 0.00 6.14 -0.79 -5.00 117.35 118.57 1ejm s TYR 59 Ca 0.37 0.89 -0.25 0.00 0.64 0.00 0.00 57.07 58.71 1ejm s TYR 59 Cb 0.20 -3.93 0.06 0.00 0.42 0.00 0.00 41.96 38.71 1ejm s TYR 59 CO 0.31 -3.12 0.60 0.15 0.64 0.00 0.00 175.55 174.14 1ejm s LYS 60 N -0.26 0.87 0.51 4.97 1.02 -1.26 -5.15 119.74 120.44 1ejm s LYS 60 Ca 0.62 0.42 -0.19 0.00 0.02 0.00 0.00 55.97 56.84 1ejm s LYS 60 Cb -0.44 0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 1ejm s LYS 60 CO 0.44 -0.21 1.04 -1.54 -0.92 0.00 0.00 175.35 174.15 1ejm s SER 61 N -0.63 6.25 -0.96 2.83 1.04 -1.26 -3.85 113.70 117.12 1ejm s SER 61 Ca -0.07 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1ejm s SER 61 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1ejm s SER 61 CO 0.06 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1ejm n GLY 62 N -0.44 0.07 3.77 7.32 0.00 -1.26 -4.99 105.19 109.65 1ejm n GLY 62 Ca 0.09 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1ejm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ejm s ILE 63 N -2.53 2.87 -0.04 -0.61 1.01 -1.25 -4.83 121.20 115.81 1ejm s ILE 63 Ca 0.00 0.79 0.06 0.00 0.00 0.00 0.00 60.65 61.50 1ejm s ILE 63 Cb 0.00 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1ejm s ILE 63 CO 0.00 0.12 -0.23 -1.10 0.00 0.00 0.00 174.94 173.73 1ejm s GLN 64 N -2.13 2.14 -0.20 2.79 -0.21 -0.56 -1.13 119.66 120.37 1ejm s GLN 64 Ca 0.55 -0.81 -0.09 0.00 0.02 0.00 0.00 55.36 55.03 1ejm s GLN 64 Cb -0.35 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 1ejm s GLN 64 CO 0.46 0.39 0.11 0.08 -2.12 0.00 0.00 175.29 174.20 1ejm s VAL 65 N -0.24 5.20 -0.23 1.09 1.01 0.11 -0.43 120.40 126.91 1ejm s VAL 65 Ca 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1ejm s VAL 65 Cb -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1ejm s VAL 65 CO 0.02 0.44 0.02 -0.60 0.00 0.00 0.00 175.10 174.98 1ejm s ARG 66 N 0.43 3.56 0.20 2.72 3.52 -0.17 -0.78 118.95 128.43 1ejm s ARG 66 Ca 0.06 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.21 1ejm s ARG 66 Cb -0.12 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1ejm s ARG 66 CO -0.01 -0.15 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.68 1ejm s LEU 67 N 1.43 2.55 -0.20 -0.88 1.02 -0.04 -1.44 118.68 121.12 1ejm s LEU 67 Ca 0.05 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.20 1ejm s LEU 67 Cb -0.15 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.38 1ejm s LEU 67 CO 0.01 -0.16 0.00 0.61 0.02 0.00 0.00 176.35 176.83 1ejm n GLY 69 N -0.31 0.53 2.67 -3.19 0.00 -1.26 -0.49 105.19 103.14 1ejm n GLY 69 Ca -0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1ejm n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ejm s GLU 70 N -1.25 -0.06 0.41 1.61 2.56 -1.26 -4.18 118.70 116.52 1ejm s GLU 70 Ca 0.00 0.35 0.10 0.00 0.00 0.00 0.00 54.97 55.42 1ejm s GLU 70 Cb 0.00 -0.60 0.88 0.00 2.00 0.00 0.00 34.13 36.40 1ejm s GLU 70 CO 0.00 -0.36 1.98 -0.44 -0.56 0.00 0.00 175.26 175.89 1ejm h ASP 71 N 8.43 0.24 -3.38 -1.70 3.45 -1.96 -3.40 116.42 118.10 1ejm h ASP 71 Ca -0.12 -0.03 -0.59 0.00 0.43 0.00 0.00 57.03 56.72 1ejm h ASP 71 Cb 1.12 -0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.75 1ejm h ASP 71 CO 0.16 0.31 0.16 0.21 -1.57 0.00 0.00 179.24 178.51 1ejm s ASN 72 N -6.87 6.77 0.34 6.45 3.84 -1.26 -1.26 114.94 122.95 1ejm s ASN 72 Ca -0.06 0.94 0.26 0.00 0.21 0.00 0.00 52.86 54.22 1ejm s ASN 72 Cb 0.16 -2.37 0.89 0.00 -0.55 0.00 0.00 41.25 39.37 1ejm s ASN 72 CO 0.72 -0.27 1.77 -0.29 -2.79 0.00 0.00 177.10 176.24 1ejm h ILE 73 N 5.11 0.00 0.00 -5.21 6.09 -0.84 -3.30 117.51 119.36 1ejm h ILE 73 Ca -0.33 -0.51 -0.12 0.00 -1.37 0.00 0.00 64.86 62.54 1ejm h ILE 73 Cb 1.15 1.43 -0.02 0.00 0.47 0.00 0.00 36.82 39.84 1ejm h ILE 73 CO 0.78 0.00 -1.81 0.59 -3.07 0.00 0.00 178.15 174.64 1ejm n ASN 74 N -2.58 0.32 -4.62 2.19 3.02 -1.26 -4.98 115.26 107.34 1ejm n ASN 74 Ca 0.03 0.13 -0.46 0.00 -0.03 0.00 0.00 54.58 54.26 1ejm n ASN 74 Cb 0.36 1.14 -0.03 0.00 -0.61 0.00 0.00 39.78 40.65 1ejm n ASN 74 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ejm n VAL 75 N -2.57 1.29 -4.45 2.41 0.31 -1.25 -5.00 118.33 109.08 1ejm n VAL 75 Ca -0.11 -0.32 -0.27 0.00 -0.01 0.00 0.00 64.34 63.63 1ejm n VAL 75 Cb 0.76 -1.17 -0.17 0.00 -0.91 0.00 0.00 33.84 32.35 1ejm n VAL 75 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ejm s VAL 76 N -0.45 1.32 -0.64 2.52 1.01 -1.26 -4.68 120.40 118.23 1ejm s VAL 76 Ca 0.66 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1ejm s VAL 76 Cb -0.72 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ejm s VAL 76 CO 0.54 0.40 0.16 1.21 0.00 0.00 0.00 175.10 177.42 1ejm n GLU 77 N 4.14 -1.51 0.00 2.72 0.00 -1.26 -5.01 120.64 119.72 1ejm n GLU 77 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1ejm n GLU 77 Cb 0.51 -4.16 0.00 0.00 0.00 0.00 0.00 31.44 27.80 1ejm n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ejm n GLY 78 N -1.04 0.42 0.86 8.31 0.00 -1.26 -4.94 105.19 107.53 1ejm n GLY 78 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1ejm n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ejm n ASN 79 N 0.00 2.83 -4.84 1.61 3.02 -1.26 -5.00 115.26 111.61 1ejm n ASN 79 Ca 0.00 -1.86 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 1ejm n ASN 79 Cb 0.00 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1ejm n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ejm s GLU 80 N -1.55 3.70 -0.05 3.52 1.03 -1.26 -4.58 118.70 119.52 1ejm s GLU 80 Ca 0.26 0.93 0.04 0.00 0.03 0.00 0.00 54.97 56.24 1ejm s GLU 80 Cb 0.17 -2.10 -0.00 0.00 -0.80 0.00 0.00 34.13 31.40 1ejm s GLU 80 CO 0.25 -0.48 -0.18 -0.65 -1.33 0.00 0.00 175.26 172.88 1ejm s GLN 81 N -4.45 1.87 -0.23 -4.83 -0.21 0.36 -4.84 119.66 107.32 1ejm s GLN 81 Ca 0.58 -0.64 -0.04 0.00 0.02 0.00 0.00 55.36 55.29 1ejm s GLN 81 Cb -0.11 -1.62 -0.00 0.00 1.00 0.00 0.00 33.01 32.28 1ejm s GLN 81 CO 0.40 0.25 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.73 1ejm s PHE 82 N 0.04 2.99 -0.07 0.91 0.40 -1.26 -0.86 117.98 120.14 1ejm s PHE 82 Ca -0.04 -0.99 0.01 0.00 -0.60 0.00 0.00 56.93 55.31 1ejm s PHE 82 Cb -0.12 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.31 1ejm s PHE 82 CO 0.02 -0.56 -0.08 0.42 0.70 0.00 0.00 175.22 175.72 1ejm s ILE 83 N 1.47 0.90 0.49 0.64 1.01 0.04 -4.96 121.20 120.78 1ejm s ILE 83 Ca 0.05 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 1ejm s ILE 83 Cb -0.15 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 1ejm s ILE 83 CO -0.03 0.31 1.14 -0.44 0.00 0.00 0.00 174.94 175.92 1ejm s SER 84 N 0.98 6.05 -0.02 3.58 0.01 -1.26 0.06 113.70 123.10 1ejm s SER 84 Ca -0.09 2.21 -0.30 0.00 1.31 0.00 0.00 55.95 59.08 1ejm s SER 84 Cb -0.15 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1ejm s SER 84 CO 0.00 -0.99 1.09 0.00 0.41 0.00 0.00 173.24 173.75 1ejm s ALA 85 N -1.67 3.35 -0.12 1.44 0.00 -0.28 -0.83 121.76 123.66 1ejm s ALA 85 Ca 0.67 0.60 0.17 0.00 0.00 0.00 0.00 51.96 53.39 1ejm s ALA 85 Cb -0.26 -3.43 -0.20 0.00 0.00 0.00 0.00 23.12 19.23 1ejm s ALA 85 CO 0.30 -0.49 0.58 -1.13 0.00 0.00 0.00 175.76 175.02 1ejm n SER 86 N 4.46 0.58 -3.81 0.00 3.41 0.92 -4.79 113.62 114.39 1ejm n SER 86 Ca 0.08 0.26 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1ejm n SER 86 Cb 0.48 0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.80 1ejm n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ejm s LYS 87 N -2.81 0.21 -0.30 4.33 1.02 -1.14 -4.98 119.74 116.07 1ejm s LYS 87 Ca -0.05 0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 1ejm s LYS 87 Cb 0.08 0.10 0.10 0.00 -0.52 0.00 0.00 37.83 37.59 1ejm s LYS 87 CO 0.83 -0.03 0.10 -1.12 -0.92 0.00 0.00 175.35 174.21 1ejm s SER 88 N 0.14 3.94 -0.46 2.83 0.01 -1.26 -0.65 113.70 118.24 1ejm s SER 88 Ca -0.00 -1.57 -0.13 0.00 1.31 0.00 0.00 55.95 55.56 1ejm s SER 88 Cb -0.02 -0.78 0.08 0.00 0.21 0.00 0.00 66.02 65.51 1ejm s SER 88 CO -0.00 -0.42 0.34 -0.63 0.41 0.00 0.00 173.24 172.95 1ejm s ILE 89 N 1.70 4.76 0.39 1.44 1.01 0.10 -4.95 121.20 125.65 1ejm s ILE 89 Ca 0.09 -1.28 -0.23 0.00 0.00 0.00 0.00 60.65 59.24 1ejm s ILE 89 Cb -0.17 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 1ejm s ILE 89 CO -0.27 -0.58 0.97 -0.69 0.00 0.00 0.00 174.94 174.37 1ejm s VAL 90 N 1.53 4.15 0.23 2.92 1.01 -1.26 -0.95 120.40 128.03 1ejm s VAL 90 Ca 0.04 1.55 -0.32 0.00 0.00 0.00 0.00 61.98 63.25 1ejm s VAL 90 Cb -0.24 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1ejm s VAL 90 CO 0.04 -0.08 1.50 1.57 0.00 0.00 0.00 175.10 178.13 1ejm n HIS 91 N -0.11 2.34 0.12 5.22 -0.00 -0.70 -4.82 115.22 117.27 1ejm n HIS 91 Ca 0.05 0.34 0.08 0.00 0.46 0.00 0.00 57.72 58.65 1ejm n HIS 91 Cb 0.52 -2.52 0.43 0.00 -0.12 0.00 0.00 29.99 28.31 1ejm n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1ejm n PRO 92 N 2.51 0.10 -0.26 1.57 -0.04 -1.26 -1.67 135.00 135.95 1ejm n PRO 92 Ca 0.13 0.60 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 1ejm n PRO 92 Cb 0.32 -1.84 0.20 0.00 -0.04 0.00 0.00 33.50 32.13 1ejm n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ejm n SER 93 N -2.06 3.12 -4.74 3.54 7.64 -1.26 -5.02 113.62 114.84 1ejm n SER 93 Ca -0.01 -3.00 -0.42 0.00 1.01 0.00 0.00 58.87 56.46 1ejm n SER 93 Cb 0.02 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1ejm n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ejm s TYR 94 N -2.76 2.88 -0.27 1.43 6.04 -0.67 -4.66 117.35 119.35 1ejm s TYR 94 Ca 0.36 0.75 0.03 0.00 0.04 0.00 0.00 57.07 58.25 1ejm s TYR 94 Cb 0.30 -4.00 0.06 0.00 -1.04 0.00 0.00 41.96 37.28 1ejm s TYR 94 CO 0.06 -3.46 -0.10 1.21 -1.54 0.00 0.00 175.55 171.73 1ejm s ASN 95 N 0.66 4.50 0.00 4.32 3.84 -0.87 -4.99 114.94 122.39 1ejm s ASN 95 Ca 0.65 -1.41 0.18 0.00 0.21 0.00 0.00 52.86 52.49 1ejm s ASN 95 Cb -0.46 -1.57 1.07 0.00 -0.55 0.00 0.00 41.25 39.74 1ejm s ASN 95 CO 0.42 -0.20 1.51 -1.54 -2.79 0.00 0.00 177.10 174.50 1ejm n SER 96 N 4.44 0.00 -0.14 -4.21 3.41 -1.26 -0.04 113.62 115.83 1ejm n SER 96 Ca -0.13 -0.47 -0.29 0.00 -0.26 0.00 0.00 58.87 57.72 1ejm n SER 96 Cb 0.42 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1ejm n SER 96 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ejm n ASN 97 N -1.05 1.96 0.12 4.04 2.85 -1.26 -4.55 115.26 117.36 1ejm n ASN 97 Ca 0.13 0.33 0.12 0.00 -0.11 0.00 0.00 54.58 55.04 1ejm n ASN 97 Cb 0.08 -0.81 0.08 0.00 1.24 0.00 0.00 39.78 40.36 1ejm n ASN 97 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1ejm h THR 98 N -0.96 0.00 -0.19 -0.44 1.35 -1.99 -3.47 112.91 107.21 1ejm h THR 98 Ca -0.69 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.21 1ejm h THR 98 Cb 1.62 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 1ejm h THR 98 CO -0.41 0.00 -0.07 0.18 -0.25 0.00 0.00 175.52 174.97 1ejm n LEU 99 N -2.63 -0.12 -4.77 3.87 4.77 0.95 -5.00 117.00 114.06 1ejm n LEU 99 Ca 0.02 0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.71 1ejm n LEU 99 Cb 0.52 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 1ejm n LEU 99 CO 0.38 -0.37 0.81 0.21 -1.33 0.00 0.00 177.39 177.09 1ejm s ASN 100 N -2.49 6.65 -1.19 -1.43 3.04 -1.23 -3.49 114.94 114.80 1ejm s ASN 100 Ca 0.00 2.27 -0.04 0.00 0.04 0.00 0.00 52.86 55.13 1ejm s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.11 1ejm s ASN 100 CO 0.00 -0.58 1.02 0.59 -3.04 0.00 0.00 177.10 175.09 1ejm n ASN 101 N 0.15 -3.87 -4.32 -4.21 3.02 -1.26 -2.06 115.26 102.72 1ejm n ASN 101 Ca 0.04 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.61 1ejm n ASN 101 Cb 0.47 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 1ejm n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ejm n ASP 102 N -2.88 4.90 -3.76 6.41 2.03 -1.23 -4.24 116.55 117.78 1ejm n ASP 102 Ca -0.15 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 1ejm n ASP 102 Cb 0.61 -1.64 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 1ejm n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ejm s ILE 103 N 2.63 0.04 -0.01 5.18 2.07 -1.26 -3.78 121.20 126.08 1ejm s ILE 103 Ca 0.47 -0.31 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 1ejm s ILE 103 Cb 0.04 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1ejm s ILE 103 CO 0.02 -0.17 0.13 -0.32 -1.91 0.00 0.00 174.94 172.69 1ejm s MET 104 N -0.80 0.42 -0.10 3.50 -2.45 0.57 -1.72 119.30 118.72 1ejm s MET 104 Ca -0.09 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.07 1ejm s MET 104 Cb -0.04 0.18 -0.01 0.00 1.25 0.00 0.00 34.83 36.20 1ejm s MET 104 CO 0.03 -0.10 -0.17 -0.51 1.05 0.00 0.00 175.02 175.32 1ejm s LEU 105 N -1.14 2.48 -0.12 4.11 1.43 -0.13 -0.87 118.68 124.45 1ejm s LEU 105 Ca -0.12 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1ejm s LEU 105 Cb -0.07 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1ejm s LEU 105 CO 0.01 0.20 -0.20 -0.63 0.23 0.00 0.00 176.35 175.96 1ejm s ILE 106 N 0.11 2.39 -0.17 -0.59 1.01 0.37 0.03 121.20 124.33 1ejm s ILE 106 Ca -0.08 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 1ejm s ILE 106 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1ejm s ILE 106 CO 0.05 0.55 0.11 -0.75 0.00 0.00 0.00 174.94 174.90 1ejm s LYS 107 N 0.41 3.93 0.33 2.79 2.20 0.17 -0.61 119.74 128.97 1ejm s LYS 107 Ca -0.15 -0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 54.97 1ejm s LYS 107 Cb -0.17 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 1ejm s LYS 107 CO 0.07 0.41 0.93 -0.51 -0.36 0.00 0.00 175.35 175.88 1ejm s LEU 108 N 0.03 4.29 0.41 5.43 1.43 0.13 -0.06 118.68 130.35 1ejm s LEU 108 Ca 0.08 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 55.05 1ejm s LEU 108 Cb -0.12 -4.06 0.88 0.00 0.03 0.00 0.00 46.19 42.92 1ejm s LEU 108 CO -0.00 -0.10 2.04 0.50 0.23 0.00 0.00 176.35 179.02 1ejm h LYS 109 N 3.01 0.46 -4.26 1.70 3.64 -1.29 -3.43 116.57 116.40 1ejm h LYS 109 Ca -0.47 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1ejm h LYS 109 Cb 1.19 -0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 32.75 1ejm h LYS 109 CO 0.64 0.34 -0.69 -1.54 -2.27 0.00 0.00 179.45 175.94 1ejm s SER 110 N -6.75 0.54 0.24 4.20 1.04 -1.26 -5.00 113.70 106.71 1ejm s SER 110 Ca -0.08 -0.93 -0.30 0.00 0.48 0.00 0.00 55.95 55.13 1ejm s SER 110 Cb 0.17 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.37 1ejm s SER 110 CO 0.73 -0.54 1.25 0.00 0.98 0.00 0.00 173.24 175.66 1ejm s ALA 111 N -3.53 3.48 0.34 5.32 0.00 -1.26 -4.84 121.76 121.27 1ejm s ALA 111 Ca 0.04 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 1ejm s ALA 111 Cb 0.05 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1ejm s ALA 111 CO -0.08 -0.46 0.93 0.00 0.00 0.00 0.00 175.76 176.15 1ejm s ALA 112 N -0.47 3.19 -0.32 0.00 0.00 0.44 -5.00 121.76 119.60 1ejm s ALA 112 Ca 0.52 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1ejm s ALA 112 Cb -0.36 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ejm s ALA 112 CO 0.42 0.18 1.08 -1.12 0.00 0.00 0.00 175.76 176.32 1ejm s SER 113 N -1.75 6.93 0.05 0.00 0.01 -1.26 -4.80 113.70 112.87 1ejm s SER 113 Ca 0.52 1.05 -0.23 0.00 1.31 0.00 0.00 55.95 58.60 1ejm s SER 113 Cb -0.16 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1ejm s SER 113 CO 0.21 -0.89 0.69 -0.76 0.41 0.00 0.00 173.24 172.90 1ejm s LEU 114 N 3.67 4.47 0.00 2.44 1.43 -1.26 -4.64 118.68 124.79 1ejm s LEU 114 Ca 0.46 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1ejm s LEU 114 Cb -0.12 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1ejm s LEU 114 CO 0.16 0.10 0.00 -0.46 0.23 0.00 0.00 176.35 176.37 1ejm n ASN 115 N 2.50 0.00 0.18 2.29 0.23 0.24 -4.95 115.26 115.76 1ejm n ASN 115 Ca -0.05 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.04 1ejm n ASN 115 Cb 0.50 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.54 1ejm n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ejm h SER 116 N 0.00 0.00 0.75 0.53 0.02 -1.98 -3.09 113.55 109.78 1ejm h SER 116 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1ejm h SER 116 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ejm h SER 116 CO 0.00 0.41 -1.37 0.03 -1.14 0.00 0.00 176.83 174.76 1ejm h ARG 117 N 0.00 0.00 -3.87 3.45 3.08 -1.92 -3.43 114.38 111.69 1ejm h ARG 117 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1ejm h ARG 117 Cb 0.83 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.48 1ejm h ARG 117 CO 0.05 0.43 -0.77 0.08 -1.07 0.00 0.00 179.97 178.69 1ejm s VAL 118 N -2.81 0.94 0.02 2.04 1.01 -1.17 -4.21 120.40 116.22 1ejm s VAL 118 Ca -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1ejm s VAL 118 Cb 0.08 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1ejm s VAL 118 CO 0.81 -0.19 0.05 0.00 0.00 0.00 0.00 175.10 175.78 1ejm s ALA 119 N 1.66 -0.02 0.56 5.51 0.00 -0.66 0.83 121.76 129.64 1ejm s ALA 119 Ca -0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1ejm s ALA 119 Cb -0.18 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1ejm s ALA 119 CO -0.08 -0.24 0.90 -1.54 0.00 0.00 0.00 175.76 174.80 1ejm s SER 120 N -1.78 6.05 -0.08 0.00 1.04 -1.26 -2.75 113.70 114.92 1ejm s SER 120 Ca -0.10 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1ejm s SER 120 Cb -0.05 -2.16 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1ejm s SER 120 CO -0.02 -0.81 -0.11 -0.51 0.98 0.00 0.00 173.24 172.76 1ejm s ILE 121 N -2.95 3.31 0.35 -1.02 1.10 0.20 -4.86 121.20 117.33 1ejm s ILE 121 Ca 0.52 -0.61 -0.27 0.00 -0.51 0.00 0.00 60.65 59.77 1ejm s ILE 121 Cb -0.11 -2.34 -0.09 0.00 0.15 0.00 0.00 42.46 40.07 1ejm s ILE 121 CO 0.48 0.58 1.17 -0.44 -2.11 0.00 0.00 174.94 174.62 1ejm s SER 122 N -0.50 6.79 0.52 4.50 0.01 -1.26 -4.62 113.70 119.13 1ejm s SER 122 Ca 0.07 2.39 -0.18 0.00 1.31 0.00 0.00 55.95 59.54 1ejm s SER 122 Cb -0.12 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1ejm s SER 122 CO 0.02 -0.49 1.01 -0.76 0.41 0.00 0.00 173.24 173.43 1ejm s LEU 123 N -2.07 3.69 0.61 2.44 1.43 -1.26 -1.12 118.68 122.40 1ejm s LEU 123 Ca 0.52 1.74 -0.18 0.00 -1.03 0.00 0.00 54.13 55.18 1ejm s LEU 123 Cb -0.33 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.34 1ejm s LEU 123 CO 0.42 -0.76 1.16 -2.16 0.23 0.00 0.00 176.35 175.24 1ejm s PRO 124 N -3.74 2.94 -0.06 1.29 0.04 -1.26 -4.74 135.00 129.48 1ejm s PRO 124 Ca 0.63 1.65 0.19 0.00 0.04 0.00 0.00 61.00 63.51 1ejm s PRO 124 Cb -0.13 -1.94 -0.23 0.00 0.04 0.00 0.00 34.50 32.23 1ejm s PRO 124 CO 0.27 -1.19 0.46 2.41 0.04 0.00 0.00 177.00 178.99 1ejm n THR 125 N -1.84 0.90 -3.64 1.26 -1.04 -1.26 -4.98 114.28 103.68 1ejm n THR 125 Ca 0.12 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.34 1ejm n THR 125 Cb 0.51 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.57 1ejm n THR 125 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ejm s SER 127 N -5.30 -0.33 0.51 8.00 1.04 -1.26 -5.15 113.70 111.21 1ejm s SER 127 Ca -0.07 -0.34 -0.21 0.00 0.48 0.00 0.00 55.95 55.82 1ejm s SER 127 Cb 0.09 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 1ejm s SER 127 CO 0.85 -1.00 1.12 0.00 0.98 0.00 0.00 173.24 175.19 1ejm s ALA 129 N -1.74 3.16 0.11 0.00 0.00 -1.26 -5.07 121.76 116.96 1ejm s ALA 129 Ca 0.69 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1ejm s ALA 129 Cb -0.24 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1ejm s ALA 129 CO 0.28 -0.56 0.22 -1.12 0.00 0.00 0.00 175.76 174.57 1ejm s SER 130 N -4.03 6.15 0.49 0.00 0.01 -1.26 -5.05 113.70 110.01 1ejm s SER 130 Ca 0.54 0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 1ejm s SER 130 Cb -0.11 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.22 1ejm s SER 130 CO 0.49 0.11 1.01 0.00 0.41 0.00 0.00 173.24 175.26 1ejm n ALA 132 N -0.14 0.29 0.00 1.44 0.00 -1.26 -1.86 120.51 118.97 1ejm n ALA 132 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ejm n ALA 132 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1ejm n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejm n GLY 133 N 1.19 3.03 3.74 0.00 0.00 0.14 -4.93 105.19 108.36 1ejm n GLY 133 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ejm n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ejm n THR 134 N -0.61 1.02 -3.05 2.61 -1.04 -0.78 -4.53 114.28 107.91 1ejm n THR 134 Ca 0.00 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.05 61.36 1ejm n THR 134 Cb 0.00 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 66.52 1ejm n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1ejm s GLN 135 N -0.51 4.48 0.20 -2.82 -1.52 -1.26 -0.92 119.66 117.30 1ejm s GLN 135 Ca 0.64 1.04 0.03 0.00 -1.95 0.00 0.00 55.36 55.13 1ejm s GLN 135 Cb -0.51 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 28.96 1ejm s GLN 135 CO 0.49 0.53 -0.01 0.00 -0.25 0.00 0.00 175.29 176.05 1ejm s LEU 137 N -3.24 3.19 -0.08 0.00 2.96 0.21 -1.40 118.68 120.33 1ejm s LEU 137 Ca 0.25 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1ejm s LEU 137 Cb 0.06 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1ejm s LEU 137 CO 0.06 -0.07 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 1ejm s ILE 138 N 1.49 3.26 0.05 6.68 1.01 0.37 -0.97 121.20 133.09 1ejm s ILE 138 Ca 0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1ejm s ILE 138 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1ejm s ILE 138 CO -0.01 0.57 0.04 -0.94 0.00 0.00 0.00 174.94 174.60 1ejm s SER 139 N -0.38 0.33 0.00 3.58 1.04 -1.21 -0.49 113.70 116.57 1ejm s SER 139 Ca 0.05 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1ejm s SER 139 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1ejm s SER 139 CO 0.02 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1ejm n GLY 140 N 0.29 0.89 1.72 7.32 0.00 -0.86 -4.41 105.19 110.14 1ejm n GLY 140 Ca -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 1ejm n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ejm n TRP 141 N -0.56 2.06 -1.47 1.61 8.01 -1.26 -2.02 117.44 123.81 1ejm n TRP 141 Ca 0.00 -1.27 -0.30 0.00 -1.31 0.00 0.00 57.50 54.62 1ejm n TRP 141 Cb 0.00 -0.62 0.23 0.00 -2.01 0.00 0.00 31.31 28.90 1ejm n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ejm s GLY 142 N -1.44 1.69 0.29 6.99 0.00 -1.25 -4.41 107.32 109.19 1ejm s GLY 142 Ca 0.52 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1ejm s GLY 142 CO 0.10 -0.28 1.31 -2.01 0.00 0.00 0.00 173.10 172.22 1ejm n ASN 143 N -4.38 2.57 -0.90 1.64 2.85 0.27 -3.10 115.26 114.19 1ejm n ASN 143 Ca 0.15 1.18 0.10 0.00 -0.11 0.00 0.00 54.58 55.90 1ejm n ASN 143 Cb 0.60 -1.43 0.15 0.00 1.24 0.00 0.00 39.78 40.33 1ejm n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ejm n THR 144 N 1.02 0.35 -5.04 -0.44 -2.24 -0.49 -1.20 114.28 106.24 1ejm n THR 144 Ca 0.08 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1ejm n THR 144 Cb 0.33 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 1ejm n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ejm s LYS 145 N -1.41 2.77 0.25 -0.78 -0.14 -1.26 -4.37 119.74 114.79 1ejm s LYS 145 Ca 0.29 -0.79 0.22 0.00 -1.36 0.00 0.00 55.97 54.33 1ejm s LYS 145 Cb 0.18 -2.35 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1ejm s LYS 145 CO 0.26 0.40 1.16 0.66 -0.76 0.00 0.00 175.35 177.07 1ejm h SER 146 N 6.05 0.00 0.00 2.83 4.64 -1.92 -3.38 113.55 121.77 1ejm h SER 146 Ca -0.34 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.76 1ejm h SER 146 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1ejm h SER 146 CO 0.50 0.07 -1.82 -0.24 -0.87 0.00 0.00 176.83 174.46 1ejm n SER 147 N -2.81 2.03 0.00 4.97 2.88 -1.26 -4.61 113.62 114.82 1ejm n SER 147 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ejm n SER 147 Cb 0.58 0.80 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 1ejm n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ejm n GLY 148 N 2.26 5.20 2.69 0.46 0.00 -1.26 -5.15 105.19 109.38 1ejm n GLY 148 Ca -0.20 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 1ejm n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ejm s THR 149 N 3.53 -0.06 -0.34 2.61 2.01 -1.26 -4.68 115.64 117.45 1ejm s THR 149 Ca 0.00 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.44 1ejm s THR 149 Cb 0.00 -0.19 0.18 0.00 0.01 0.00 0.00 72.50 72.50 1ejm s THR 149 CO 0.00 0.18 0.51 -0.55 -0.69 0.00 0.00 174.62 174.08 1ejm s SER 150 N 2.09 -0.56 -0.06 3.53 0.15 -1.26 -4.97 113.70 112.62 1ejm s SER 150 Ca 0.04 -0.56 -0.21 0.00 0.70 0.00 0.00 55.95 55.93 1ejm s SER 150 Cb -0.12 1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 65.65 1ejm s SER 150 CO -0.03 -0.27 0.60 -0.31 1.20 0.00 0.00 173.24 174.43 1ejm s TYR 151 N 2.23 3.60 0.59 3.44 2.02 -1.26 -1.39 117.35 126.57 1ejm s TYR 151 Ca 0.13 1.13 -0.13 0.00 -0.37 0.00 0.00 57.07 57.82 1ejm s TYR 151 Cb -0.10 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.75 1ejm s TYR 151 CO -0.18 0.21 1.02 -1.25 -1.57 0.00 0.00 175.55 173.78 1ejm s PRO 152 N 0.40 3.60 0.03 -1.71 0.04 -1.26 -5.00 135.00 131.09 1ejm s PRO 152 Ca 0.32 0.90 0.15 0.00 0.04 0.00 0.00 61.00 62.40 1ejm s PRO 152 Cb -0.17 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.12 1ejm s PRO 152 CO 0.16 -0.57 0.80 -0.44 0.04 0.00 0.00 177.00 176.99 1ejm h ASP 153 N 0.12 0.00 -2.69 6.66 3.32 -1.94 -3.46 116.42 118.42 1ejm h ASP 153 Ca -0.45 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.00 1ejm h ASP 153 Cb 1.19 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 1ejm h ASP 153 CO 0.61 0.77 -0.69 0.68 -1.72 0.00 0.00 179.24 178.89 1ejm s VAL 154 N -2.78 3.33 0.25 -1.35 -7.23 -1.26 -0.24 120.40 111.12 1ejm s VAL 154 Ca -0.03 -1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 1ejm s VAL 154 Cb 0.08 -2.70 -0.11 0.00 0.56 0.00 0.00 36.38 34.21 1ejm s VAL 154 CO 0.81 -0.21 1.63 -0.22 -0.31 0.00 0.00 175.10 176.81 1ejm s LEU 155 N -3.15 4.36 0.11 1.32 2.96 -0.39 -4.86 118.68 119.03 1ejm s LEU 155 Ca 0.28 2.88 0.04 0.00 -0.22 0.00 0.00 54.13 57.10 1ejm s LEU 155 Cb -0.08 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1ejm s LEU 155 CO 0.17 -0.92 0.07 -0.54 -1.32 0.00 0.00 176.35 173.82 1ejm s LYS 156 N 0.28 2.79 0.12 1.98 -0.14 -0.86 -1.71 119.74 122.21 1ejm s LYS 156 Ca 0.68 -0.79 0.07 0.00 -1.36 0.00 0.00 55.97 54.57 1ejm s LYS 156 Cb -0.48 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1ejm s LYS 156 CO 0.40 0.53 -0.17 0.00 -0.76 0.00 0.00 175.35 175.35 1ejm s LEU 158 N -2.23 0.27 -0.25 0.00 2.96 0.36 -0.42 118.68 119.36 1ejm s LEU 158 Ca 0.08 0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 54.68 1ejm s LEU 158 Cb -0.07 1.26 -0.05 0.00 0.50 0.00 0.00 46.19 47.83 1ejm s LEU 158 CO 0.04 -0.16 0.15 -0.54 -1.32 0.00 0.00 176.35 174.52 1ejm s LYS 159 N 0.82 3.95 -0.00 1.98 1.02 -1.26 -0.48 119.74 125.76 1ejm s LYS 159 Ca -0.05 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 1ejm s LYS 159 Cb -0.06 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1ejm s LYS 159 CO -0.06 -0.05 0.03 0.00 -0.92 0.00 0.00 175.35 174.35 1ejm s ALA 160 N 1.35 -0.07 0.27 5.17 0.00 -0.49 -4.94 121.76 123.05 1ejm s ALA 160 Ca 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 1ejm s ALA 160 Cb -0.15 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 1ejm s ALA 160 CO 0.06 -0.10 0.60 -1.25 0.00 0.00 0.00 175.76 175.08 1ejm s PRO 161 N -0.69 3.81 0.18 0.00 0.04 -1.26 -0.29 135.00 136.79 1ejm s PRO 161 Ca -0.08 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 1ejm s PRO 161 Cb -0.05 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1ejm s PRO 161 CO -0.00 0.25 1.11 0.42 0.04 0.00 0.00 177.00 178.81 1ejm s ILE 162 N -1.93 3.84 0.27 0.56 1.01 -0.10 -1.74 121.20 123.12 1ejm s ILE 162 Ca 0.48 1.59 -0.05 0.00 0.00 0.00 0.00 60.65 62.67 1ejm s ILE 162 Cb -0.11 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1ejm s ILE 162 CO 0.23 0.27 0.54 -0.76 0.00 0.00 0.00 174.94 175.22 1ejm s LEU 163 N -0.35 4.08 0.61 2.97 1.43 0.14 0.26 118.68 127.82 1ejm s LEU 163 Ca 0.50 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.13 1ejm s LEU 163 Cb -0.30 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1ejm s LEU 163 CO 0.35 -0.17 1.27 -0.94 0.23 0.00 0.00 176.35 177.09 1ejm s SER 164 N -3.04 4.97 0.47 2.29 1.04 -1.26 -4.59 113.70 113.58 1ejm s SER 164 Ca 0.44 2.55 0.18 0.00 0.48 0.00 0.00 55.95 59.60 1ejm s SER 164 Cb -0.11 -2.61 1.15 0.00 0.10 0.00 0.00 66.02 64.55 1ejm s SER 164 CO 0.29 -1.75 2.03 0.44 0.98 0.00 0.00 173.24 175.23 1ejm h ASP 165 N 0.87 0.00 -0.37 7.02 3.32 -1.96 -1.04 116.42 124.25 1ejm h ASP 165 Ca -0.51 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.39 1ejm h ASP 165 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1ejm h ASP 165 CO 0.55 0.15 -0.34 0.77 -1.72 0.00 0.00 179.24 178.65 1ejm h SER 166 N 0.00 0.97 -0.27 6.45 4.64 -1.99 -0.58 113.55 122.76 1ejm h SER 166 Ca -0.00 -0.42 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 1ejm h SER 166 Cb 0.28 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1ejm h SER 166 CO 0.02 1.21 -0.29 -1.28 -0.87 0.00 0.00 176.83 175.62 1ejm h SER 167 N 0.76 0.81 -0.14 4.97 0.87 -1.74 -0.86 113.55 118.21 1ejm h SER 167 Ca 0.07 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1ejm h SER 167 Cb 0.92 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1ejm h SER 167 CO 0.09 1.04 0.04 0.00 -0.53 0.00 0.00 176.83 177.46 1ejm h LYS 169 N 0.03 0.20 -0.26 0.00 1.57 -1.03 -0.72 116.57 116.37 1ejm h LYS 169 Ca 0.04 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1ejm h LYS 169 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1ejm h LYS 169 CO 0.00 0.43 -0.39 0.77 -0.57 0.00 0.00 179.45 179.70 1ejm h SER 170 N 0.19 0.63 0.07 0.86 0.02 -0.85 -2.08 113.55 112.38 1ejm h SER 170 Ca 0.03 -0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 60.53 1ejm h SER 170 Cb 0.52 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ejm h SER 170 CO 0.04 0.95 -0.63 0.00 -1.14 0.00 0.00 176.83 176.05 1ejm h ALA 171 N 1.08 0.62 -2.34 3.77 0.00 -0.44 -3.37 119.26 118.57 1ejm h ALA 171 Ca 0.05 -0.55 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 1ejm h ALA 171 Cb 0.89 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.21 1ejm h ALA 171 CO 0.08 0.71 -0.82 0.66 0.00 0.00 0.00 179.25 179.87 1ejm n TYR 172 N -3.92 1.41 -1.64 0.00 4.02 -0.34 -4.93 117.16 111.76 1ejm n TYR 172 Ca -0.04 -3.83 -0.50 0.00 -0.01 0.00 0.00 57.90 53.52 1ejm n TYR 172 Cb 0.65 -0.34 -0.05 0.00 -0.02 0.00 0.00 39.34 39.58 1ejm n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ejm n PRO 173 N 1.64 1.64 -1.27 -0.72 -0.02 -0.79 -1.99 135.00 133.49 1ejm n PRO 173 Ca 0.25 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1ejm n PRO 173 Cb 0.45 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1ejm n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ejm n GLY 174 N 3.21 1.00 0.00 -1.23 0.00 -1.26 -4.84 105.19 102.06 1ejm n GLY 174 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1ejm n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ejm n GLN 175 N -1.57 1.17 -3.23 1.61 6.02 -0.84 -5.00 117.38 115.53 1ejm n GLN 175 Ca -0.09 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 1ejm n GLN 175 Cb 0.45 -0.94 -0.08 0.00 1.02 0.00 0.00 30.24 30.69 1ejm n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ejm s ILE 176 N -1.91 5.04 0.66 5.09 -1.09 -1.24 -5.02 121.20 122.72 1ejm s ILE 176 Ca -0.00 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1ejm s ILE 176 Cb 0.01 -3.90 0.10 0.00 -1.58 0.00 0.00 42.46 37.09 1ejm s ILE 176 CO 0.04 -0.07 0.91 0.42 -1.23 0.00 0.00 174.94 175.02 1ejm s THR 177 N 2.37 2.24 -1.14 2.92 -4.23 -1.26 -4.96 115.64 111.59 1ejm s THR 177 Ca 0.20 -0.69 0.14 0.00 -1.18 0.00 0.00 61.69 60.16 1ejm s THR 177 Cb -0.15 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.28 1ejm s THR 177 CO 0.11 0.00 1.41 -1.54 -0.54 0.00 0.00 174.62 174.07 1ejm n SER 178 N -2.63 0.00 -1.58 3.99 3.41 -1.26 -2.30 113.62 113.25 1ejm n SER 178 Ca 0.14 0.37 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1ejm n SER 178 Cb 0.61 -0.43 0.36 0.00 -0.26 0.00 0.00 64.21 64.48 1ejm n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ejm n ASN 179 N -1.43 5.11 -4.12 4.04 3.02 -1.26 -4.93 115.26 115.68 1ejm n ASN 179 Ca 0.04 -2.99 -0.11 0.00 -0.03 0.00 0.00 54.58 51.50 1ejm n ASN 179 Cb 0.14 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 1ejm n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ejm s MET 180 N -2.81 0.68 -0.03 3.52 -1.94 -0.97 -1.54 119.30 116.20 1ejm s MET 180 Ca 0.51 -1.09 -0.19 0.00 -1.71 0.00 0.00 55.69 53.20 1ejm s MET 180 Cb 0.40 -0.17 0.04 0.00 2.01 0.00 0.00 34.83 37.10 1ejm s MET 180 CO 0.13 -0.01 0.41 -0.59 -0.01 0.00 0.00 175.02 174.96 1ejm s PHE 181 N -2.80 -0.32 0.10 -0.03 -0.12 -0.54 -4.78 117.98 109.50 1ejm s PHE 181 Ca 0.03 0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 57.42 1ejm s PHE 181 Cb -0.00 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1ejm s PHE 181 CO -0.03 -0.44 0.26 0.00 -0.05 0.00 0.00 175.22 174.95 1ejm s ALA 183 N -1.60 -0.71 0.00 0.00 0.00 -0.94 -0.68 121.76 117.83 1ejm s ALA 183 Ca 0.36 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1ejm s ALA 183 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1ejm s ALA 183 CO 0.28 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1ejm n GLY 1184N 2.18 0.59 2.72 0.00 0.00 -0.71 -2.89 105.19 107.08 1ejm n GLY 1184Ca -0.17 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 1ejm n GLY 1184CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ejm s TYR 184 N -3.28 0.42 0.64 1.61 1.51 -1.26 -4.35 117.35 112.64 1ejm s TYR 184 Ca 0.00 -0.02 0.37 0.00 -1.01 0.00 0.00 57.07 56.40 1ejm s TYR 184 Cb 0.00 -0.68 2.07 0.00 -0.11 0.00 0.00 41.96 43.24 1ejm s TYR 184 CO 0.00 -0.29 2.24 -0.07 -1.11 0.00 0.00 175.55 176.32 1ejm h LEU 185 N 8.37 0.00 -1.43 -1.29 3.38 -1.95 0.26 115.31 122.65 1ejm h LEU 185 Ca -0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ejm h LEU 185 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ejm h LEU 185 CO 0.22 0.00 -0.14 1.05 0.09 0.00 0.00 178.44 179.66 1ejm h GLU 186 N 0.00 0.00 0.00 1.13 4.11 -1.95 0.33 114.58 118.20 1ejm h GLU 186 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1ejm h GLU 186 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ejm h GLU 186 CO -0.00 0.14 0.00 0.41 0.07 0.00 0.00 179.01 179.63 1ejm n GLY 187 N -0.10 -0.20 0.00 1.06 0.00 0.08 -4.38 105.19 101.65 1ejm n GLY 187 Ca -0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1ejm n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 1188N -0.21 2.98 2.89 -0.02 0.00 -0.29 -4.92 105.19 105.62 1ejm n GLY 1188Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ejm n GLY 1188CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejm s LYS 188 N -0.00 1.14 -0.07 1.61 1.02 -1.26 -3.57 119.74 118.62 1ejm s LYS 188 Ca 0.00 -0.16 -0.32 0.00 0.02 0.00 0.00 55.97 55.51 1ejm s LYS 188 Cb 0.00 -1.18 0.13 0.00 -0.52 0.00 0.00 37.83 36.25 1ejm s LYS 188 CO 0.00 -0.16 1.29 0.34 -0.92 0.00 0.00 175.35 175.90 1ejm s ASP 189 N 1.32 -0.07 0.67 2.83 3.68 -0.69 -4.27 116.67 120.14 1ejm s ASP 189 Ca -0.04 -0.10 -0.05 0.00 2.13 0.00 0.00 52.55 54.50 1ejm s ASP 189 Cb -0.14 0.14 0.06 0.00 -1.45 0.00 0.00 42.92 41.53 1ejm s ASP 189 CO -0.03 -0.26 0.96 -0.94 0.13 0.00 0.00 175.17 175.04 1ejm s SER 190 N -2.79 4.90 0.19 -0.34 1.04 -1.26 0.46 113.70 115.91 1ejm s SER 190 Ca 0.13 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1ejm s SER 190 Cb 0.04 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 65.14 1ejm s SER 190 CO -0.04 -1.50 0.33 0.00 0.98 0.00 0.00 173.24 173.00 1ejm n GLN 192 N -0.29 1.79 0.00 0.00 3.00 -1.26 -1.11 117.38 119.50 1ejm n GLN 192 Ca -0.02 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 1ejm n GLN 192 Cb 0.31 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.25 1ejm n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ejm n GLY 193 N 2.56 1.93 0.04 1.08 0.00 -1.26 -0.57 105.19 108.97 1ejm n GLY 193 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1ejm n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ejm n ASP 194 N 0.00 0.51 -4.47 1.61 10.43 -0.27 -3.81 116.55 120.55 1ejm n ASP 194 Ca 0.00 -0.09 -0.46 0.00 2.57 0.00 0.00 54.79 56.80 1ejm n ASP 194 Cb 0.00 1.09 -0.02 0.00 1.84 0.00 0.00 41.12 44.03 1ejm n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1ejm n SER 195 N -2.16 -0.36 0.00 -2.24 7.64 -1.26 -1.08 113.62 114.16 1ejm n SER 195 Ca -0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1ejm n SER 195 Cb 0.49 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1ejm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ejm n GLY 196 N 1.72 2.78 3.70 0.23 0.00 0.01 0.65 105.19 114.27 1ejm n GLY 196 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ejm n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ejm s GLY 197 N -1.72 1.61 0.41 -0.02 0.00 -0.24 -3.37 107.32 104.00 1ejm s GLY 197 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1ejm s GLY 197 CO 0.00 0.45 0.87 2.56 0.00 0.00 0.00 173.10 176.97 1ejm s PRO 198 N -4.89 4.06 -0.28 2.90 0.04 -1.26 -1.31 135.00 134.26 1ejm s PRO 198 Ca 0.64 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1ejm s PRO 198 Cb -0.19 -2.28 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1ejm s PRO 198 CO 0.58 -0.01 0.03 0.08 0.04 0.00 0.00 177.00 177.72 1ejm s VAL 199 N -2.21 1.31 -0.18 -0.36 1.01 -0.48 -3.31 120.40 116.17 1ejm s VAL 199 Ca 0.58 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1ejm s VAL 199 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1ejm s VAL 199 CO 0.20 -0.43 -0.00 -0.69 0.00 0.00 0.00 175.10 174.17 1ejm s VAL 200 N 1.44 4.08 -0.10 2.92 1.01 -0.14 -1.45 120.40 128.16 1ejm s VAL 200 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1ejm s VAL 200 Cb -0.18 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ejm s VAL 200 CO -0.14 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.31 1ejm n SER 202 N 4.47 -4.04 0.00 0.00 7.64 -1.26 -1.79 113.62 118.65 1ejm n SER 202 Ca -0.17 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1ejm n SER 202 Cb 0.51 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1ejm n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ejm n GLY 203 N -1.65 0.24 3.37 0.23 0.00 -1.26 -4.99 105.19 101.12 1ejm n GLY 203 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ejm n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejm s LYS 204 N -1.08 1.85 -0.73 1.61 3.01 -0.74 -4.12 119.74 119.54 1ejm s LYS 204 Ca 0.00 -1.09 -0.26 0.00 -1.01 0.00 0.00 55.97 53.61 1ejm s LYS 204 Cb 0.00 -2.03 0.04 0.00 -1.01 0.00 0.00 37.83 34.83 1ejm s LYS 204 CO 0.00 0.52 1.22 -1.17 0.51 0.00 0.00 175.35 176.43 1ejm s LEU 209 N -1.31 3.40 -0.02 3.17 2.96 -0.27 -1.09 118.68 125.52 1ejm s LEU 209 Ca 0.12 -0.57 0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1ejm s LEU 209 Cb -0.10 -2.53 -0.27 0.00 0.50 0.00 0.00 46.19 43.79 1ejm s LEU 209 CO 0.03 -1.76 0.51 0.00 -1.32 0.00 0.00 176.35 173.81 1ejm n GLN 210 N 9.05 0.66 -4.04 1.98 1.13 -0.53 -3.98 117.38 121.65 1ejm n GLN 210 Ca 0.02 -0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.88 1ejm n GLN 210 Cb 0.48 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.17 1ejm n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ejm s GLY 211 N -4.68 0.71 -0.06 1.08 0.00 -0.86 -1.67 107.32 101.84 1ejm s GLY 211 Ca -0.07 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1ejm s GLY 211 CO 0.88 -1.02 -0.08 -0.42 0.00 0.00 0.00 173.10 172.46 1ejm s ILE 212 N -4.01 0.84 0.08 0.90 1.01 -1.05 -1.38 121.20 117.59 1ejm s ILE 212 Ca 0.21 -0.28 -0.33 0.00 0.00 0.00 0.00 60.65 60.25 1ejm s ILE 212 Cb 0.05 -0.82 -0.12 0.00 0.01 0.00 0.00 42.46 41.57 1ejm s ILE 212 CO 0.02 0.30 1.73 0.52 0.00 0.00 0.00 174.94 177.51 1ejm n VAL 213 N 4.14 0.25 0.01 2.92 0.31 -0.43 -1.36 118.33 124.17 1ejm n VAL 213 Ca -0.21 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1ejm n VAL 213 Cb 0.51 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1ejm n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ejm n SER 214 N 4.89 0.07 -2.71 4.52 2.88 -1.08 -0.81 113.62 121.38 1ejm n SER 214 Ca 0.19 0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1ejm n SER 214 Cb 0.31 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1ejm n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1ejm n TRP 215 N -2.58 -1.88 0.00 0.66 4.27 -0.90 -4.91 117.44 112.10 1ejm n TRP 215 Ca 0.00 -1.89 0.00 0.00 -3.89 0.00 0.00 57.50 51.72 1ejm n TRP 215 Cb 0.00 0.70 0.00 0.00 -1.36 0.00 0.00 31.31 30.65 1ejm n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ejm n GLY 216 N -0.50 1.30 3.52 -1.67 0.00 -1.26 0.07 105.19 106.64 1ejm n GLY 216 Ca -0.04 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1ejm n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ejm s SER 217 N 0.00 6.33 0.57 1.61 0.15 -1.26 -4.85 113.70 116.24 1ejm s SER 217 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1ejm s SER 217 Cb 0.00 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1ejm s SER 217 CO 0.00 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.77 1ejm n GLY 219 N 5.14 0.08 2.85 9.45 0.00 -1.26 -4.65 105.19 116.80 1ejm n GLY 219 Ca 0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 1ejm n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejm n ALA 1221N 3.88 -0.87 -2.40 0.00 0.00 -1.26 -4.64 120.51 115.21 1ejm n ALA 1221Ca -0.24 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1ejm n ALA 1221Cb 0.52 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1ejm n ALA 1221CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ejm s GLN 221 N -5.40 3.82 0.29 0.00 -1.52 -1.26 -1.14 119.66 114.45 1ejm s GLN 221 Ca 0.15 0.31 -0.30 0.00 -1.95 0.00 0.00 55.36 53.57 1ejm s GLN 221 Cb -0.08 -2.64 -0.12 0.00 -0.22 0.00 0.00 33.01 29.95 1ejm s GLN 221 CO 0.19 0.31 1.60 1.17 -0.25 0.00 0.00 175.29 178.32 1ejm n LYS 222 N -0.11 2.71 -1.13 2.91 4.81 -1.26 -1.83 118.16 124.26 1ejm n LYS 222 Ca 0.00 0.97 -0.04 0.00 -0.87 0.00 0.00 58.31 58.37 1ejm n LYS 222 Cb 0.52 -2.75 -0.02 0.00 0.02 0.00 0.00 35.03 32.80 1ejm n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ejm n ASN 223 N 2.24 -5.13 -3.38 3.14 5.03 0.12 -4.91 115.26 112.36 1ejm n ASN 223 Ca 0.09 0.11 -0.26 0.00 0.87 0.00 0.00 54.58 55.39 1ejm n ASN 223 Cb 0.37 -3.03 -0.08 0.00 -1.02 0.00 0.00 39.78 36.02 1ejm n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ejm n LYS 224 N -0.74 1.43 -1.40 3.52 5.02 -0.76 -4.80 118.16 120.43 1ejm n LYS 224 Ca -0.04 -3.88 -0.29 0.00 -2.02 0.00 0.00 58.31 52.07 1ejm n LYS 224 Cb 0.41 -1.76 0.13 0.00 -0.02 0.00 0.00 35.03 33.79 1ejm n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ejm s PRO 225 N -1.53 1.24 0.45 1.97 0.04 -1.26 -4.16 135.00 131.74 1ejm s PRO 225 Ca 0.35 0.52 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 1ejm s PRO 225 Cb 0.12 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1ejm s PRO 225 CO -0.09 -2.18 1.03 0.20 0.04 0.00 0.00 177.00 176.01 1ejm s GLY 226 N -3.76 2.59 -0.10 0.56 0.00 -1.14 -4.58 107.32 100.88 1ejm s GLY 226 Ca 0.63 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1ejm s GLY 226 CO 0.55 0.99 -0.12 0.14 0.00 0.00 0.00 173.10 174.66 1ejm s VAL 227 N -1.87 3.20 0.09 1.40 1.01 0.11 -2.21 120.40 122.13 1ejm s VAL 227 Ca 0.63 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1ejm s VAL 227 Cb -0.18 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ejm s VAL 227 CO 0.22 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.38 1ejm s TYR 228 N -0.08 1.53 0.07 5.22 2.02 0.72 -2.11 117.35 124.72 1ejm s TYR 228 Ca -0.02 -0.43 -0.31 0.00 -0.37 0.00 0.00 57.07 55.94 1ejm s TYR 228 Cb -0.14 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1ejm s TYR 228 CO 0.04 0.14 1.25 0.99 -1.57 0.00 0.00 175.55 176.40 1ejm s THR 229 N -1.20 3.83 -1.04 -0.71 2.01 -0.46 -1.46 115.64 116.61 1ejm s THR 229 Ca 0.03 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 63.12 1ejm s THR 229 Cb -0.10 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 68.63 1ejm s THR 229 CO 0.03 0.10 1.46 -0.75 -0.69 0.00 0.00 174.62 174.77 1ejm s LYS 230 N 1.10 3.62 0.42 4.92 2.20 -0.59 -2.53 119.74 128.88 1ejm s LYS 230 Ca 0.60 -1.23 0.15 0.00 -0.36 0.00 0.00 55.97 55.14 1ejm s LYS 230 Cb -0.31 -5.35 1.04 0.00 -1.51 0.00 0.00 37.83 31.69 1ejm s LYS 230 CO 0.29 -2.19 1.91 0.28 -0.36 0.00 0.00 175.35 175.29 1ejm h VAL 231 N 6.65 0.79 0.00 4.02 2.07 -1.61 -1.79 116.25 126.38 1ejm h VAL 231 Ca 0.22 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1ejm h VAL 231 Cb 1.00 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ejm h VAL 231 CO 1.41 0.08 0.12 0.00 0.02 0.00 0.00 177.57 179.20 1ejm n ASN 233 N -2.92 0.59 -0.14 0.00 4.13 -0.67 -4.05 115.26 112.21 1ejm n ASN 233 Ca -0.02 -0.49 0.01 0.00 1.68 0.00 0.00 54.58 55.76 1ejm n ASN 233 Cb 0.18 0.01 0.03 0.00 -1.54 0.00 0.00 39.78 38.46 1ejm n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1ejm n TYR 234 N -1.04 0.09 -0.24 3.10 4.01 0.45 -4.78 117.16 118.75 1ejm n TYR 234 Ca 0.11 -0.41 0.01 0.00 -0.16 0.00 0.00 57.90 57.45 1ejm n TYR 234 Cb 0.32 -0.04 0.13 0.00 -0.31 0.00 0.00 39.34 39.44 1ejm n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ejm h VAL 235 N 0.46 0.85 -0.51 -0.72 2.07 -1.68 0.11 116.25 116.84 1ejm h VAL 235 Ca 0.00 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1ejm h VAL 235 Cb 0.47 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ejm h VAL 235 CO 0.00 0.11 -0.14 0.77 0.02 0.00 0.00 177.57 178.33 1ejm h SER 236 N 0.59 1.00 -0.47 0.57 4.64 -1.90 -1.03 113.55 116.96 1ejm h SER 236 Ca 0.34 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1ejm h SER 236 Cb 0.35 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1ejm h SER 236 CO -0.26 1.14 0.27 -0.25 -0.87 0.00 0.00 176.83 176.86 1ejm h TRP 237 N 0.86 0.63 -0.16 4.77 7.01 -1.70 0.10 115.95 127.45 1ejm h TRP 237 Ca 0.13 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1ejm h TRP 237 Cb 0.71 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1ejm h TRP 237 CO 0.05 0.45 0.10 0.82 -2.79 0.00 0.00 178.44 177.07 1ejm h ILE 238 N 0.62 1.06 -0.31 2.65 2.04 -0.60 -0.46 117.51 122.52 1ejm h ILE 238 Ca 0.17 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1ejm h ILE 238 Cb 0.02 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1ejm h ILE 238 CO -0.03 0.05 0.05 0.11 0.00 0.00 0.00 178.15 178.33 1ejm h LYS 239 N 0.20 0.51 -0.29 2.37 1.57 -0.98 -1.21 116.57 118.73 1ejm h LYS 239 Ca 0.06 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1ejm h LYS 239 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1ejm h LYS 239 CO -0.01 0.61 -0.13 1.96 -0.57 0.00 0.00 179.45 181.31 1ejm h GLN 240 N 0.33 0.49 -0.03 3.15 4.20 -0.92 -1.11 115.11 121.22 1ejm h GLN 240 Ca 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ejm h GLN 240 Cb 0.34 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1ejm h GLN 240 CO 0.01 0.62 -0.03 1.15 -0.67 0.00 0.00 178.83 179.91 1ejm h THR 241 N 0.45 1.37 -0.76 -0.54 2.02 -0.93 -1.96 112.91 112.57 1ejm h THR 241 Ca 0.08 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1ejm h THR 241 Cb 0.50 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1ejm h THR 241 CO 0.03 0.30 0.47 0.40 0.37 0.00 0.00 175.52 177.10 1ejm h ILE 242 N -0.38 1.21 0.00 3.11 2.04 -1.13 -1.80 117.51 120.56 1ejm h ILE 242 Ca 0.01 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1ejm h ILE 242 Cb 0.51 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1ejm h ILE 242 CO 0.01 0.21 -0.33 0.00 0.00 0.00 0.00 178.15 178.04 1ejm h ALA 243 N 1.25 1.33 -0.02 1.87 0.00 -1.21 -3.05 119.26 119.44 1ejm h ALA 243 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ejm h ALA 243 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ejm h ALA 243 CO -0.05 0.41 -0.17 0.43 0.00 0.00 0.00 179.25 179.87 1ejm n SER 244 N -3.97 1.86 0.00 0.00 7.64 -0.74 -5.09 113.62 113.32 1ejm n SER 244 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1ejm n SER 244 Cb 0.39 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1ejm n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62