#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 4.56 -0.97 1.39 1.01 0.65 -3.90 120.40 123.14 1ejm s VAL 17 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1ejm s VAL 17 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 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 2.81 1.08 0.00 4.51 0.00 -1.23 -2.04 105.19 110.32 1ejm n GLY 18 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.87 1.67 3.28 -0.02 0.00 -1.26 -4.87 105.19 102.13 1ejm n GLY 19 Ca -0.09 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 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 2.13 -0.16 -0.01 1.61 -0.85 0.34 -4.93 117.35 115.49 1ejm s TYR 20 Ca 0.00 0.03 -0.30 0.00 -0.52 0.00 0.00 57.07 56.29 1ejm s TYR 20 Cb 0.00 0.15 -0.08 0.00 0.38 0.00 0.00 41.96 42.41 1ejm s TYR 20 CO 0.00 -0.55 1.91 0.99 -1.52 0.00 0.00 175.55 176.38 1ejm s THR 21 N -2.69 3.16 0.75 -3.49 2.01 -1.26 0.58 115.64 114.70 1ejm s THR 21 Ca -0.04 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 1ejm s THR 21 Cb -0.00 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.42 1ejm s THR 21 CO -0.04 -0.02 1.19 0.00 -0.69 0.00 0.00 174.62 175.06 1ejm s GLY 23 N -1.82 2.87 -0.39 0.00 0.00 -1.26 -4.83 107.32 101.89 1ejm s GLY 23 Ca 0.76 1.08 -0.41 0.00 0.00 0.00 0.00 44.72 46.16 1ejm s GLY 23 CO 0.47 1.61 1.96 0.00 0.00 0.00 0.00 173.10 177.14 1ejm n ALA 24 N -0.11 0.13 -2.41 3.20 0.00 -1.26 -0.10 120.51 119.96 1ejm n ALA 24 Ca 0.05 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 1ejm n ALA 24 Cb 0.46 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 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 7.05 -5.46 0.01 0.00 3.02 -1.26 -4.88 115.26 113.74 1ejm n ASN 25 Ca 0.39 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 55.03 1ejm n ASN 25 Cb 0.09 -4.50 0.35 0.00 -0.61 0.00 0.00 39.78 35.11 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 -4.05 0.05 -3.29 3.41 -2.24 0.85 -4.21 114.28 104.80 1ejm n THR 26 Ca -0.21 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 1ejm n THR 26 Cb 0.66 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.58 0.99 0.33 2.28 0.31 -1.26 -4.94 118.33 114.46 1ejm n VAL 27 Ca 0.06 -4.70 0.15 0.00 -0.01 0.00 0.00 64.34 59.84 1ejm n VAL 27 Cb 0.35 -1.94 0.61 0.00 -0.91 0.00 0.00 33.84 31.96 1ejm n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ejm h PRO 28 N 4.00 0.00 -0.00 5.55 0.13 -1.81 -2.91 132.00 136.96 1ejm h PRO 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ejm h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1ejm h PRO 28 CO 0.66 0.00 -0.39 2.48 -0.23 0.00 0.00 178.00 180.52 1ejm n TYR 29 N -2.62 0.00 -2.49 1.56 0.18 -1.03 -1.85 117.16 110.90 1ejm n TYR 29 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1ejm n TYR 29 Cb 0.24 -0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.91 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 -2.90 4.52 0.26 -3.48 2.00 -1.10 -1.00 119.66 117.96 1ejm s GLN 30 Ca 0.14 1.72 0.03 0.00 -2.00 0.00 0.00 55.36 55.25 1ejm s GLN 30 Cb 0.18 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.61 1ejm s GLN 30 CO 0.64 -0.09 0.03 0.14 -0.50 0.00 0.00 175.29 175.52 1ejm s VAL 31 N 0.45 0.98 -0.08 1.34 -7.23 -0.46 -4.48 120.40 110.93 1ejm s VAL 31 Ca 0.54 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1ejm s VAL 31 Cb -0.29 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1ejm s VAL 31 CO 0.32 -0.17 -0.24 -0.55 -0.31 0.00 0.00 175.10 174.14 1ejm s SER 32 N -3.36 3.09 -0.17 4.85 0.15 -0.29 -1.78 113.70 116.20 1ejm s SER 32 Ca 0.33 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.28 1ejm s SER 32 Cb 0.07 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1ejm s SER 32 CO 0.12 0.21 0.40 -0.76 1.20 0.00 0.00 173.24 174.40 1ejm s LEU 33 N 0.06 4.21 -0.02 3.45 1.43 0.72 -0.65 118.68 127.87 1ejm s LEU 33 Ca -0.10 0.61 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1ejm s LEU 33 Cb -0.16 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1ejm s LEU 33 CO 0.06 -0.01 -0.25 0.21 0.23 0.00 0.00 176.35 176.59 1ejm s ASN 34 N 0.77 2.99 -0.17 2.29 3.84 0.11 -2.10 114.94 122.67 1ejm s ASN 34 Ca 0.21 -0.46 0.23 0.00 0.21 0.00 0.00 52.86 53.05 1ejm s ASN 34 Cb -0.14 -0.38 0.48 0.00 -0.55 0.00 0.00 41.25 40.66 1ejm s ASN 34 CO 0.08 0.31 1.14 -0.24 -2.79 0.00 0.00 177.10 175.59 1ejm n SER 37 N 2.50 1.47 0.00 -4.21 2.88 -1.26 -1.35 113.62 113.65 1ejm n SER 37 Ca -0.16 -2.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.28 1ejm n SER 37 Cb 0.51 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.22 1.03 3.73 0.46 0.00 -1.26 -5.04 105.19 103.89 1ejm n GLY 38 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.99 -0.19 0.17 1.61 1.13 -1.26 -5.14 117.35 112.68 1ejm s TYR 39 Ca 0.00 -0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.22 1ejm s TYR 39 Cb 0.00 0.64 -0.10 0.00 -1.10 0.00 0.00 41.96 41.40 1ejm s TYR 39 CO 0.00 -0.89 1.57 -1.58 -2.51 0.00 0.00 175.55 172.14 1ejm s HIS 40 N -3.44 3.05 0.00 -3.49 5.65 -1.26 -4.41 115.29 111.39 1ejm s HIS 40 Ca 0.10 0.64 0.00 0.00 0.25 0.00 0.00 55.06 56.05 1ejm s HIS 40 Cb -0.02 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 1ejm s HIS 40 CO 0.01 -3.42 0.00 1.97 -0.65 0.00 0.00 174.74 172.65 1ejm n PHE 41 N 3.87 0.00 -3.79 3.88 1.16 -0.89 -4.98 117.46 116.72 1ejm n PHE 41 Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.62 1ejm n PHE 41 Cb 0.38 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 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 1.88 0.10 0.00 0.00 0.22 -0.20 107.32 106.46 1ejm s GLY 43 Ca 0.06 -1.94 -0.26 0.00 0.00 0.00 0.00 44.72 42.57 1ejm s GLY 43 CO -0.10 -1.76 1.01 -0.32 0.00 0.00 0.00 173.10 171.93 1ejm s GLY 44 N -4.59 -0.29 -0.08 0.20 0.00 -0.74 -3.76 107.32 98.06 1ejm s GLY 44 Ca 0.55 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1ejm s GLY 44 CO 0.35 0.07 -0.15 -0.56 0.00 0.00 0.00 173.10 172.81 1ejm s SER 45 N -2.88 2.18 -0.15 1.64 0.01 -0.01 -1.35 113.70 113.14 1ejm s SER 45 Ca 0.12 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 1ejm s SER 45 Cb -0.00 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1ejm s SER 45 CO -0.00 0.04 1.05 -0.22 0.41 0.00 0.00 173.24 174.52 1ejm s LEU 46 N 0.76 4.20 0.00 2.44 2.96 -0.17 -0.24 118.68 128.63 1ejm s LEU 46 Ca -0.12 1.51 0.16 0.00 -0.22 0.00 0.00 54.13 55.46 1ejm s LEU 46 Cb -0.16 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1ejm s LEU 46 CO 0.02 -0.55 0.77 2.30 -1.32 0.00 0.00 176.35 177.58 1ejm n ILE 47 N 4.86 0.00 -3.95 6.68 -5.35 -0.48 -0.59 119.36 120.53 1ejm n ILE 47 Ca 0.10 -0.25 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 1ejm n ILE 47 Cb 0.47 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.12 0.00 0.53 7.28 6.03 -1.22 -4.64 114.94 120.80 1ejm s ASN 48 Ca 0.10 -0.30 0.26 0.00 -1.03 0.00 0.00 52.86 51.89 1ejm s ASN 48 Cb 0.12 0.22 1.41 0.00 -3.03 0.00 0.00 41.25 39.98 1ejm s ASN 48 CO 0.50 -0.45 1.99 0.77 -2.03 0.00 0.00 177.10 177.88 1ejm h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -3.15 113.55 118.62 1ejm h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1ejm h SER 49 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ejm h SER 49 CO 0.32 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 176.11 1ejm n GLN 50 N -4.37 0.94 -4.25 4.77 10.64 -1.26 -1.84 117.38 122.01 1ejm n GLN 50 Ca 0.11 -1.67 -0.18 0.00 -1.83 0.00 0.00 57.00 53.43 1ejm n GLN 50 Cb 0.64 -0.98 -0.15 0.00 -0.86 0.00 0.00 30.24 28.89 1ejm n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1ejm s TRP 51 N -1.33 0.69 -0.00 2.61 0.52 -1.19 -0.78 118.94 119.46 1ejm s TRP 51 Ca 0.13 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.17 1ejm s TRP 51 Cb 0.12 -0.49 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 1ejm s TRP 51 CO 0.01 -0.06 -0.21 0.08 0.02 0.00 0.00 176.95 176.80 1ejm s VAL 52 N 0.11 1.63 -0.15 4.03 1.01 0.56 -1.39 120.40 126.21 1ejm s VAL 52 Ca -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1ejm s VAL 52 Cb -0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1ejm s VAL 52 CO -0.00 0.40 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1ejm s VAL 53 N -0.56 3.92 0.04 2.92 1.01 0.67 -0.46 120.40 127.94 1ejm s VAL 53 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ejm s VAL 53 Cb -0.08 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ejm s VAL 53 CO -0.00 0.50 0.05 -0.24 0.00 0.00 0.00 175.10 175.41 1ejm n SER 54 N 3.40 -0.14 -4.83 3.32 2.88 0.18 -0.83 113.62 117.59 1ejm n SER 54 Ca -0.17 -1.25 -0.34 0.00 -1.33 0.00 0.00 58.87 55.78 1ejm n SER 54 Cb 0.53 0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 64.21 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 -1.86 3.34 0.36 -1.46 0.00 -1.26 -0.04 121.76 120.84 1ejm s ALA 55 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1ejm s ALA 55 Cb -0.00 -2.81 0.68 0.00 0.00 0.00 0.00 23.12 20.99 1ejm s ALA 55 CO 0.03 0.32 1.89 0.00 0.00 0.00 0.00 175.76 178.00 1ejm h ALA 56 N 2.66 1.42 0.00 0.00 0.00 -1.68 -1.94 119.26 119.72 1ejm h ALA 56 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ejm h ALA 56 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ejm h ALA 56 CO 0.65 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.91 1ejm n HIS 57 N -4.27 0.00 1.42 0.00 1.44 -1.26 -2.02 115.22 110.53 1ejm n HIS 57 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1ejm n HIS 57 Cb 0.26 -0.20 0.48 0.00 0.12 0.00 0.00 29.99 30.65 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 -1.93 3.11 0.07 0.00 6.14 -0.85 -5.00 117.35 118.89 1ejm s TYR 59 Ca 0.36 1.05 -0.21 0.00 0.64 0.00 0.00 57.07 58.91 1ejm s TYR 59 Cb 0.20 -3.75 0.05 0.00 0.42 0.00 0.00 41.96 38.88 1ejm s TYR 59 CO 0.31 -2.47 0.50 0.15 0.64 0.00 0.00 175.55 174.69 1ejm s LYS 60 N -0.07 1.05 0.36 4.97 1.02 -1.26 -5.15 119.74 120.66 1ejm s LYS 60 Ca 0.60 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 56.09 1ejm s LYS 60 Cb -0.40 0.48 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 1ejm s LYS 60 CO 0.40 -0.39 0.81 -1.54 -0.92 0.00 0.00 175.35 173.71 1ejm s SER 61 N -2.15 6.81 -0.99 2.83 1.04 -1.26 -4.10 113.70 115.87 1ejm s SER 61 Ca -0.04 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 1ejm s SER 61 Cb -0.00 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1ejm s SER 61 CO -0.04 -0.27 0.17 0.61 0.98 0.00 0.00 173.24 174.69 1ejm n GLY 62 N -0.52 -0.09 3.77 7.32 0.00 -1.26 -4.99 105.19 109.42 1ejm n GLY 62 Ca 0.05 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.76 3.33 -0.03 -0.61 1.01 -1.26 -4.81 121.20 116.07 1ejm s ILE 63 Ca 0.09 1.21 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1ejm s ILE 63 Cb -0.04 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1ejm s ILE 63 CO 0.11 0.19 -0.20 -1.10 0.00 0.00 0.00 174.94 173.93 1ejm s GLN 64 N -1.94 1.78 -0.17 2.79 -0.21 -0.46 -1.06 119.66 120.39 1ejm s GLN 64 Ca 0.51 -0.73 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 1ejm s GLN 64 Cb -0.31 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1ejm s GLN 64 CO 0.39 0.39 0.10 0.08 -2.12 0.00 0.00 175.29 174.14 1ejm s VAL 65 N -0.34 5.17 -0.22 1.09 1.01 0.58 0.06 120.40 127.75 1ejm s VAL 65 Ca 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ejm s VAL 65 Cb -0.09 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ejm s VAL 65 CO 0.00 0.49 -0.01 -0.60 0.00 0.00 0.00 175.10 174.98 1ejm s ARG 66 N 0.05 3.48 0.28 2.72 3.52 0.17 -0.91 118.95 128.26 1ejm s ARG 66 Ca 0.08 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1ejm s ARG 66 Cb -0.12 -3.09 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1ejm s ARG 66 CO -0.00 -0.16 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.74 1ejm s LEU 67 N 1.43 2.52 -1.50 -0.88 1.02 -0.46 -1.13 118.68 119.68 1ejm s LEU 67 Ca 0.05 -1.16 -0.00 0.00 0.02 0.00 0.00 54.13 53.04 1ejm s LEU 67 Cb -0.14 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.36 1ejm s LEU 67 CO -0.01 -0.28 0.06 0.61 0.02 0.00 0.00 176.35 176.76 1ejm n GLY 69 N -0.58 -0.36 2.89 -3.19 0.00 -1.25 -1.34 105.19 101.36 1ejm n GLY 69 Ca -0.06 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.96 0.23 0.33 1.61 2.56 -1.26 -3.98 118.70 113.23 1ejm s GLU 70 Ca 0.03 0.48 0.02 0.00 0.00 0.00 0.00 54.97 55.50 1ejm s GLU 70 Cb -0.01 -0.62 0.59 0.00 2.00 0.00 0.00 34.13 36.09 1ejm s GLU 70 CO 0.04 -0.53 1.97 -0.44 -0.56 0.00 0.00 175.26 175.74 1ejm h ASP 71 N 8.26 0.81 -3.35 -1.70 3.45 -1.95 -3.40 116.42 118.55 1ejm h ASP 71 Ca -0.17 -0.01 -0.58 0.00 0.43 0.00 0.00 57.03 56.70 1ejm h ASP 71 Cb 1.14 -0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 39.65 1ejm h ASP 71 CO 0.23 0.56 0.27 0.21 -1.57 0.00 0.00 179.24 178.94 1ejm s ASN 72 N -6.29 6.88 0.34 6.45 3.84 -1.26 -1.51 114.94 123.39 1ejm s ASN 72 Ca -0.11 1.07 0.26 0.00 0.21 0.00 0.00 52.86 54.29 1ejm s ASN 72 Cb 0.18 -2.42 0.79 0.00 -0.55 0.00 0.00 41.25 39.26 1ejm s ASN 72 CO 0.78 -0.33 1.75 -0.29 -2.79 0.00 0.00 177.10 176.22 1ejm h ILE 73 N 5.14 0.00 0.00 -5.21 6.09 -1.07 -3.34 117.51 119.12 1ejm h ILE 73 Ca -0.31 -0.59 -0.23 0.00 -1.37 0.00 0.00 64.86 62.36 1ejm h ILE 73 Cb 1.14 1.54 -0.04 0.00 0.47 0.00 0.00 36.82 39.93 1ejm h ILE 73 CO 0.81 0.00 -2.00 0.59 -3.07 0.00 0.00 178.15 174.48 1ejm n ASN 74 N -2.63 0.28 -4.74 2.19 3.02 -1.26 -4.97 115.26 107.15 1ejm n ASN 74 Ca 0.04 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1ejm n ASN 74 Cb 0.40 0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 40.50 1ejm n ASN 74 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ejm n VAL 75 N -2.69 1.38 -5.01 2.41 3.14 -1.25 -5.01 118.33 111.30 1ejm n VAL 75 Ca -0.19 -0.35 -0.31 0.00 -2.96 0.00 0.00 64.34 60.53 1ejm n VAL 75 Cb 0.93 -1.90 -0.17 0.00 -1.06 0.00 0.00 33.84 31.65 1ejm n VAL 75 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1ejm s VAL 76 N -0.43 1.97 -0.32 1.55 1.01 -1.26 -4.60 120.40 118.33 1ejm s VAL 76 Ca 0.60 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ejm s VAL 76 Cb -0.51 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1ejm s VAL 76 CO 0.54 0.54 0.00 1.21 0.00 0.00 0.00 175.10 177.39 1ejm n GLU 77 N 3.71 -0.27 0.00 2.72 0.00 -1.26 -5.02 120.64 120.51 1ejm n GLU 77 Ca -0.19 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1ejm n GLU 77 Cb 0.52 -3.96 0.00 0.00 0.00 0.00 0.00 31.44 28.00 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 -1.36 0.69 0.79 8.31 0.00 -1.26 -4.93 105.19 107.42 1ejm n GLY 78 Ca -0.04 0.00 0.08 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 2.78 -4.87 1.61 3.02 -1.26 -5.01 115.26 111.53 1ejm n ASN 79 Ca 0.00 -1.81 -0.30 0.00 -0.03 0.00 0.00 54.58 52.44 1ejm n ASN 79 Cb 0.00 -0.13 0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.26 2.33 -0.05 3.52 1.03 -1.26 -4.64 118.70 118.37 1ejm s GLU 80 Ca 0.26 0.37 0.01 0.00 0.03 0.00 0.00 54.97 55.63 1ejm s GLU 80 Cb 0.16 -1.97 0.02 0.00 -0.80 0.00 0.00 34.13 31.54 1ejm s GLU 80 CO 0.22 -1.39 -0.04 -0.65 -1.33 0.00 0.00 175.26 172.07 1ejm s GLN 81 N -5.38 0.83 -0.30 -4.83 -0.21 -0.45 -4.89 119.66 104.43 1ejm s GLN 81 Ca 0.60 -0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.82 1ejm s GLN 81 Cb -0.12 -0.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.98 1ejm s GLN 81 CO 0.51 -0.13 0.13 -0.06 -2.12 0.00 0.00 175.29 173.63 1ejm s PHE 82 N 1.15 3.16 -0.09 0.91 0.40 -1.26 -1.35 117.98 120.89 1ejm s PHE 82 Ca -0.07 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1ejm s PHE 82 Cb -0.14 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.09 1ejm s PHE 82 CO -0.01 -0.45 -0.12 0.42 0.70 0.00 0.00 175.22 175.76 1ejm s ILE 83 N 1.60 1.24 0.51 0.64 1.01 -0.08 -4.96 121.20 121.16 1ejm s ILE 83 Ca 0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 1ejm s ILE 83 Cb -0.17 -1.16 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 1ejm s ILE 83 CO 0.05 0.39 1.20 -0.44 0.00 0.00 0.00 174.94 176.14 1ejm s SER 84 N 1.03 5.78 0.02 3.58 0.01 -1.26 -0.31 113.70 122.55 1ejm s SER 84 Ca -0.07 2.37 -0.28 0.00 1.31 0.00 0.00 55.95 59.27 1ejm s SER 84 Cb -0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1ejm s SER 84 CO -0.01 -1.19 0.91 0.00 0.41 0.00 0.00 173.24 173.36 1ejm s ALA 85 N -1.55 3.23 -0.11 1.44 0.00 -0.22 -0.62 121.76 123.92 1ejm s ALA 85 Ca 0.69 0.46 0.20 0.00 0.00 0.00 0.00 51.96 53.31 1ejm s ALA 85 Cb -0.30 -3.23 -0.25 0.00 0.00 0.00 0.00 23.12 19.34 1ejm s ALA 85 CO 0.35 -0.14 0.47 -1.13 0.00 0.00 0.00 175.76 175.31 1ejm n SER 86 N 3.54 0.22 -3.76 0.00 3.41 0.77 -4.79 113.62 113.01 1ejm n SER 86 Ca 0.03 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 1ejm n SER 86 Cb 0.51 1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 65.62 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 -3.12 0.31 -0.32 4.33 1.02 -1.19 -4.98 119.74 115.80 1ejm s LYS 87 Ca -0.07 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.38 1ejm s LYS 87 Cb 0.10 0.08 0.10 0.00 -0.52 0.00 0.00 37.83 37.59 1ejm s LYS 87 CO 0.86 -0.08 0.10 -1.12 -0.92 0.00 0.00 175.35 174.19 1ejm s SER 88 N 0.54 4.04 -0.43 2.83 0.01 -1.26 -0.52 113.70 118.91 1ejm s SER 88 Ca -0.03 -1.69 -0.13 0.00 1.31 0.00 0.00 55.95 55.41 1ejm s SER 88 Cb -0.05 -0.89 0.06 0.00 0.21 0.00 0.00 66.02 65.35 1ejm s SER 88 CO -0.03 -0.41 0.31 -0.63 0.41 0.00 0.00 173.24 172.89 1ejm s ILE 89 N 1.55 4.82 0.30 1.44 1.01 0.14 -4.95 121.20 125.51 1ejm s ILE 89 Ca 0.10 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 1ejm s ILE 89 Cb -0.18 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 1ejm s ILE 89 CO -0.24 -0.46 0.88 -0.69 0.00 0.00 0.00 174.94 174.43 1ejm s VAL 90 N 1.57 4.33 0.20 2.92 1.01 -1.26 -0.57 120.40 128.59 1ejm s VAL 90 Ca 0.03 1.65 -0.33 0.00 0.00 0.00 0.00 61.98 63.34 1ejm s VAL 90 Cb -0.22 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1ejm s VAL 90 CO 0.06 0.14 1.46 1.57 0.00 0.00 0.00 175.10 178.33 1ejm n HIS 91 N 0.56 2.15 0.18 5.22 -0.00 -0.64 -4.82 115.22 117.87 1ejm n HIS 91 Ca 0.01 0.39 0.12 0.00 0.46 0.00 0.00 57.72 58.69 1ejm n HIS 91 Cb 0.51 -2.48 0.62 0.00 -0.12 0.00 0.00 29.99 28.52 1ejm n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ejm h PRO 92 N 4.85 0.00 -0.21 1.57 0.13 -1.93 -1.80 132.00 134.61 1ejm h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ejm h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ejm h PRO 92 CO 0.81 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.01 1ejm n SER 93 N -2.31 3.26 -4.71 1.44 7.64 -1.26 -5.01 113.62 112.66 1ejm n SER 93 Ca -0.02 -2.76 -0.43 0.00 1.01 0.00 0.00 58.87 56.68 1ejm n SER 93 Cb 0.07 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1ejm n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ejm n TYR 94 N -0.50 2.66 -3.97 1.43 -0.00 -0.68 -4.69 117.16 111.42 1ejm n TYR 94 Ca 0.17 0.14 -0.34 0.00 -0.00 0.00 0.00 57.90 57.87 1ejm n TYR 94 Cb 0.71 -2.63 -0.14 0.00 -0.00 0.00 0.00 39.34 37.28 1ejm n TYR 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1ejm s ASN 95 N 0.95 4.70 0.00 2.98 3.84 -0.87 -4.98 114.94 121.55 1ejm s ASN 95 Ca 0.73 -1.29 0.15 0.00 0.21 0.00 0.00 52.86 52.66 1ejm s ASN 95 Cb -0.54 -1.65 0.84 0.00 -0.55 0.00 0.00 41.25 39.35 1ejm s ASN 95 CO 0.37 -0.23 1.35 -1.54 -2.79 0.00 0.00 177.10 174.27 1ejm n SER 96 N 4.56 0.00 -0.13 -4.21 3.41 -1.26 0.48 113.62 116.47 1ejm n SER 96 Ca -0.14 -0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 57.96 1ejm n SER 96 Cb 0.43 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 1ejm n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ejm n ASN 97 N -1.11 1.90 0.11 4.04 3.02 -1.26 -4.55 115.26 117.40 1ejm n ASN 97 Ca 0.10 0.22 0.12 0.00 -0.03 0.00 0.00 54.58 54.98 1ejm n ASN 97 Cb 0.08 -0.69 0.07 0.00 -0.61 0.00 0.00 39.78 38.63 1ejm n ASN 97 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1ejm h THR 98 N -0.73 0.00 -0.27 3.41 1.35 -1.98 -3.47 112.91 111.21 1ejm h THR 98 Ca -0.64 -0.86 -0.12 0.00 -0.55 0.00 0.00 66.41 64.24 1ejm h THR 98 Cb 1.64 1.45 -0.05 0.00 -1.73 0.00 0.00 68.15 69.46 1ejm h THR 98 CO -0.33 0.00 -0.11 0.18 -0.25 0.00 0.00 175.52 175.01 1ejm n LEU 99 N -2.58 -0.23 -4.77 3.87 4.77 0.18 -4.99 117.00 113.25 1ejm n LEU 99 Ca 0.01 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 1ejm n LEU 99 Cb 0.52 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1ejm n LEU 99 CO 0.38 -0.49 0.82 0.21 -1.33 0.00 0.00 177.39 176.98 1ejm s ASN 100 N -2.53 6.54 -1.24 -1.43 3.04 -1.22 -3.46 114.94 114.64 1ejm s ASN 100 Ca 0.00 2.29 -0.02 0.00 0.04 0.00 0.00 52.86 55.17 1ejm s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 1ejm s ASN 100 CO 0.00 -0.66 1.02 0.59 -3.04 0.00 0.00 177.10 175.02 1ejm n ASN 101 N 0.02 -2.83 -4.30 -4.21 3.02 -1.26 -2.05 115.26 103.64 1ejm n ASN 101 Ca 0.05 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.55 1ejm n ASN 101 Cb 0.47 -5.05 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 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 -3.10 5.00 -3.78 6.41 2.03 -1.23 -4.20 116.55 117.68 1ejm n ASP 102 Ca -0.23 -2.98 -0.13 0.00 0.52 0.00 0.00 54.79 51.97 1ejm n ASP 102 Cb 0.65 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 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 2.13 0.04 -0.02 5.18 2.07 -1.26 -3.74 121.20 125.61 1ejm s ILE 103 Ca 0.45 -0.33 -0.09 0.00 -1.41 0.00 0.00 60.65 59.28 1ejm s ILE 103 Cb 0.03 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.12 1ejm s ILE 103 CO 0.01 -0.18 0.19 -0.32 -1.91 0.00 0.00 174.94 172.73 1ejm s MET 104 N -0.76 0.48 -0.08 3.50 -2.45 0.94 -1.62 119.30 119.30 1ejm s MET 104 Ca -0.08 -0.22 0.02 0.00 -1.25 0.00 0.00 55.69 54.16 1ejm s MET 104 Cb -0.04 0.21 -0.02 0.00 1.25 0.00 0.00 34.83 36.22 1ejm s MET 104 CO 0.02 -0.11 -0.15 -0.51 1.05 0.00 0.00 175.02 175.32 1ejm s LEU 105 N -1.08 2.66 -0.11 4.11 1.43 0.26 -0.65 118.68 125.30 1ejm s LEU 105 Ca -0.12 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1ejm s LEU 105 Cb -0.06 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1ejm s LEU 105 CO 0.02 0.26 -0.19 -0.63 0.23 0.00 0.00 176.35 176.04 1ejm s ILE 106 N -0.24 1.74 -0.14 -0.59 1.01 0.39 0.25 121.20 123.63 1ejm s ILE 106 Ca 0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1ejm s ILE 106 Cb -0.13 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1ejm s ILE 106 CO 0.03 0.49 0.22 -0.75 0.00 0.00 0.00 174.94 174.92 1ejm s LYS 107 N 0.74 3.93 0.28 2.79 2.20 0.33 -0.32 119.74 129.68 1ejm s LYS 107 Ca -0.11 -0.02 -0.22 0.00 -0.36 0.00 0.00 55.97 55.26 1ejm s LYS 107 Cb -0.16 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 1ejm s LYS 107 CO 0.02 0.49 0.83 -0.51 -0.36 0.00 0.00 175.35 175.82 1ejm s LEU 108 N -0.25 4.32 0.45 5.43 1.43 0.04 -0.17 118.68 129.93 1ejm s LEU 108 Ca 0.15 1.60 0.10 0.00 -1.03 0.00 0.00 54.13 54.95 1ejm s LEU 108 Cb -0.13 -3.82 1.00 0.00 0.03 0.00 0.00 46.19 43.27 1ejm s LEU 108 CO 0.04 -0.03 2.09 0.50 0.23 0.00 0.00 176.35 179.17 1ejm h LYS 109 N 3.22 0.35 -4.23 1.70 3.64 -1.17 -3.43 116.57 116.65 1ejm h LYS 109 Ca -0.47 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.76 1ejm h LYS 109 Cb 1.19 -0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.78 1ejm h LYS 109 CO 0.65 0.23 -0.64 -1.54 -2.27 0.00 0.00 179.45 175.88 1ejm s SER 110 N -6.82 0.42 0.33 4.20 1.04 -1.26 -5.01 113.70 106.60 1ejm s SER 110 Ca -0.07 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 55.08 1ejm s SER 110 Cb 0.17 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 1ejm s SER 110 CO 0.71 -0.64 1.13 0.00 0.98 0.00 0.00 173.24 175.42 1ejm s ALA 111 N -3.94 3.31 0.26 5.32 0.00 -1.26 -4.85 121.76 120.61 1ejm s ALA 111 Ca 0.10 0.92 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1ejm s ALA 111 Cb 0.08 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1ejm s ALA 111 CO -0.08 -0.30 0.51 0.00 0.00 0.00 0.00 175.76 175.89 1ejm s ALA 112 N -1.30 3.68 -0.28 0.00 0.00 -0.76 -5.04 121.76 118.07 1ejm s ALA 112 Ca 0.50 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 1ejm s ALA 112 Cb -0.31 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1ejm s ALA 112 CO 0.40 0.30 1.14 -1.12 0.00 0.00 0.00 175.76 176.48 1ejm s SER 113 N -3.13 6.91 0.54 0.00 0.01 -1.26 -4.87 113.70 111.91 1ejm s SER 113 Ca 0.43 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.91 1ejm s SER 113 Cb -0.11 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1ejm s SER 113 CO 0.29 -0.86 0.80 -0.76 0.41 0.00 0.00 173.24 173.12 1ejm s LEU 114 N 3.69 3.34 0.00 2.44 2.01 -1.25 -4.54 118.68 124.36 1ejm s LEU 114 Ca 0.49 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.99 1ejm s LEU 114 Cb -0.15 -3.20 0.00 0.00 0.01 0.00 0.00 46.19 42.85 1ejm s LEU 114 CO 0.15 -1.01 0.00 0.59 1.01 0.00 0.00 176.35 177.09 1ejm n ASN 115 N -2.38 0.00 0.00 2.29 3.02 0.88 -4.81 115.26 114.25 1ejm n ASN 115 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1ejm n ASN 115 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1ejm n ASN 115 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ejm n SER 116 N 4.58 0.00 -0.69 6.41 2.88 -1.26 -3.14 113.62 122.40 1ejm n SER 116 Ca 0.00 0.08 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 1ejm n SER 116 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 1ejm n SER 116 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ejm n ARG 117 N -0.25 2.77 -3.49 -1.46 3.00 -1.26 -4.84 116.66 111.12 1ejm n ARG 117 Ca 0.00 -2.06 -0.27 0.00 -0.01 0.00 0.00 57.85 55.51 1ejm n ARG 117 Cb 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 32.46 31.04 1ejm n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ejm s VAL 118 N -1.00 -0.09 0.08 1.55 1.01 -1.19 -3.82 120.40 116.94 1ejm s VAL 118 Ca 0.25 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ejm s VAL 118 Cb 0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1ejm s VAL 118 CO 0.17 -0.73 -0.14 0.00 0.00 0.00 0.00 175.10 174.39 1ejm s ALA 119 N 1.91 1.28 0.56 5.51 0.00 -0.77 0.30 121.76 130.54 1ejm s ALA 119 Ca 0.11 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1ejm s ALA 119 Cb -0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1ejm s ALA 119 CO -0.27 0.16 0.98 -1.54 0.00 0.00 0.00 175.76 175.09 1ejm s SER 120 N -1.93 6.38 -0.11 0.00 1.04 -1.26 -2.48 113.70 115.35 1ejm s SER 120 Ca 0.01 1.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.84 1ejm s SER 120 Cb -0.09 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1ejm s SER 120 CO 0.02 -0.73 -0.01 -0.51 0.98 0.00 0.00 173.24 172.99 1ejm s ILE 121 N -2.92 4.15 0.36 -1.02 1.10 0.25 -4.87 121.20 118.25 1ejm s ILE 121 Ca 0.56 -0.29 -0.26 0.00 -0.51 0.00 0.00 60.65 60.14 1ejm s ILE 121 Cb -0.11 -2.77 -0.09 0.00 0.15 0.00 0.00 42.46 39.65 1ejm s ILE 121 CO 0.45 0.57 1.07 -0.94 -2.11 0.00 0.00 174.94 173.98 1ejm s SER 122 N -0.49 6.91 0.46 4.50 1.04 -1.26 -4.60 113.70 120.26 1ejm s SER 122 Ca 0.08 2.14 -0.19 0.00 0.48 0.00 0.00 55.95 58.46 1ejm s SER 122 Cb -0.12 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.30 1ejm s SER 122 CO 0.02 -0.39 0.96 -0.76 0.98 0.00 0.00 173.24 174.06 1ejm s LEU 123 N -2.23 3.81 0.58 2.42 1.43 -1.26 -1.62 118.68 121.82 1ejm s LEU 123 Ca 0.53 1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 55.09 1ejm s LEU 123 Cb -0.26 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.40 1ejm s LEU 123 CO 0.33 -0.45 1.10 -2.16 0.23 0.00 0.00 176.35 175.39 1ejm s PRO 124 N -3.54 3.25 -0.03 1.29 0.04 -1.26 -4.80 135.00 129.95 1ejm s PRO 124 Ca 0.61 1.43 0.20 0.00 0.04 0.00 0.00 61.00 63.28 1ejm s PRO 124 Cb -0.09 -2.01 -0.31 0.00 0.04 0.00 0.00 34.50 32.13 1ejm s PRO 124 CO 0.20 -0.90 0.49 0.25 0.04 0.00 0.00 177.00 177.08 1ejm n THR 125 N -1.73 0.00 -3.66 1.26 -2.24 -1.26 -4.95 114.28 101.70 1ejm n THR 125 Ca 0.10 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1ejm n THR 125 Cb 0.52 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1ejm n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ejm s SER 127 N -4.20 -0.22 0.49 3.42 1.04 -1.26 -5.16 113.70 107.81 1ejm s SER 127 Ca -0.06 -0.26 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 1ejm s SER 127 Cb 0.13 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.62 1ejm s SER 127 CO 0.85 -0.79 1.06 0.00 0.98 0.00 0.00 173.24 175.34 1ejm s ALA 129 N -1.90 2.41 0.24 0.00 0.00 -1.26 -5.09 121.76 116.17 1ejm s ALA 129 Ca 0.68 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1ejm s ALA 129 Cb -0.19 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1ejm s ALA 129 CO 0.22 -1.95 -0.11 -1.12 0.00 0.00 0.00 175.76 172.80 1ejm s SER 130 N -4.56 4.04 0.42 0.00 0.01 -1.26 -5.07 113.70 107.28 1ejm s SER 130 Ca 0.65 -0.78 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 1ejm s SER 130 Cb -0.10 -0.57 -0.10 0.00 0.21 0.00 0.00 66.02 65.46 1ejm s SER 130 CO 0.50 0.05 1.32 0.00 0.41 0.00 0.00 173.24 175.52 1ejm n ALA 132 N -0.46 1.51 0.00 1.44 0.00 -1.26 -1.76 120.51 119.98 1ejm n ALA 132 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ejm n ALA 132 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 0.74 3.17 3.70 0.00 0.00 0.18 -4.92 105.19 108.06 1ejm n GLY 133 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1ejm n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ejm s THR 134 N -2.39 2.36 0.11 2.61 2.01 -0.72 -4.52 115.64 115.09 1ejm s THR 134 Ca 0.00 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1ejm s THR 134 Cb 0.00 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 1ejm s THR 134 CO 0.00 0.00 1.02 -1.58 -0.69 0.00 0.00 174.62 173.37 1ejm s GLN 135 N 2.25 4.62 0.23 4.92 2.00 -1.26 -1.21 119.66 131.22 1ejm s GLN 135 Ca 0.79 1.55 0.03 0.00 -2.00 0.00 0.00 55.36 55.73 1ejm s GLN 135 Cb -0.47 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 1ejm s GLN 135 CO 0.35 0.09 0.00 0.00 -0.50 0.00 0.00 175.29 175.24 1ejm s LEU 137 N -3.31 2.90 -0.07 0.00 2.96 0.17 -1.44 118.68 119.90 1ejm s LEU 137 Ca 0.29 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1ejm s LEU 137 Cb 0.06 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1ejm s LEU 137 CO 0.09 0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 1ejm s ILE 138 N 1.23 3.06 0.06 6.68 1.01 0.17 -1.04 121.20 132.37 1ejm s ILE 138 Ca 0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1ejm s ILE 138 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1ejm s ILE 138 CO -0.02 0.57 0.04 -0.94 0.00 0.00 0.00 174.94 174.59 1ejm s SER 139 N -0.44 0.37 0.00 3.58 1.04 -1.21 -0.49 113.70 116.55 1ejm s SER 139 Ca 0.05 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1ejm s SER 139 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1ejm s SER 139 CO 0.02 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1ejm n GLY 140 N 0.12 -0.15 1.22 7.32 0.00 -0.89 -4.39 105.19 108.40 1ejm n GLY 140 Ca -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.50 1.33 -1.30 1.61 8.01 -1.26 -1.76 117.44 123.57 1ejm n TRP 141 Ca 0.00 -1.11 -0.29 0.00 -1.31 0.00 0.00 57.50 54.79 1ejm n TRP 141 Cb 0.00 -0.44 0.23 0.00 -2.01 0.00 0.00 31.31 29.08 1ejm n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ejm n GLY 142 N -0.56 -2.36 3.68 6.99 0.00 -1.24 -4.40 105.19 107.30 1ejm n GLY 142 Ca 0.29 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1ejm n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ejm n ASN 143 N -4.49 2.52 -0.73 1.61 2.85 0.06 -2.84 115.26 114.24 1ejm n ASN 143 Ca 0.15 1.20 0.09 0.00 -0.11 0.00 0.00 54.58 55.91 1ejm n ASN 143 Cb 0.56 -1.45 0.07 0.00 1.24 0.00 0.00 39.78 40.20 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 0.40 0.00 -4.77 -0.44 -2.24 -0.76 -0.84 114.28 105.63 1ejm n THR 144 Ca 0.06 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 1ejm n THR 144 Cb 0.35 1.38 -0.13 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.63 2.99 0.25 -0.78 1.02 -1.26 -4.28 119.74 116.04 1ejm s LYS 145 Ca 0.22 -0.66 0.12 0.00 0.02 0.00 0.00 55.97 55.67 1ejm s LYS 145 Cb 0.16 -2.55 0.21 0.00 -0.52 0.00 0.00 37.83 35.13 1ejm s LYS 145 CO 0.26 0.44 1.51 0.66 -0.92 0.00 0.00 175.35 177.30 1ejm h SER 146 N 5.98 0.00 0.00 2.83 4.64 -1.92 -3.39 113.55 121.68 1ejm h SER 146 Ca -0.37 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 1ejm h SER 146 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1ejm h SER 146 CO 0.54 0.65 -1.22 -0.24 -0.87 0.00 0.00 176.83 175.69 1ejm n SER 147 N -3.49 2.62 -1.43 4.97 2.88 -1.26 -4.49 113.62 113.42 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 0.71 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 3.14 1.05 2.98 0.46 0.00 -1.26 -5.10 105.19 106.45 1ejm n GLY 148 Ca -0.07 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 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 0.58 -0.65 -0.29 2.61 2.01 -1.26 -4.75 115.64 113.88 1ejm s THR 149 Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1ejm s THR 149 Cb 0.00 -0.82 0.14 0.00 0.01 0.00 0.00 72.50 71.84 1ejm s THR 149 CO 0.00 -0.09 0.33 -0.55 -0.69 0.00 0.00 174.62 173.62 1ejm s SER 150 N 2.59 1.27 -0.11 3.53 0.15 -1.26 -5.00 113.70 114.87 1ejm s SER 150 Ca 0.12 -0.63 -0.21 0.00 0.70 0.00 0.00 55.95 55.93 1ejm s SER 150 Cb -0.15 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1ejm s SER 150 CO -0.16 -0.38 0.59 -0.31 1.20 0.00 0.00 173.24 174.19 1ejm s TYR 151 N 2.42 3.52 0.64 3.44 2.02 -1.26 -1.83 117.35 126.30 1ejm s TYR 151 Ca 0.09 1.04 -0.13 0.00 -0.37 0.00 0.00 57.07 57.70 1ejm s TYR 151 Cb -0.13 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1ejm s TYR 151 CO -0.32 0.08 1.05 -1.25 -1.57 0.00 0.00 175.55 173.54 1ejm s PRO 152 N 0.91 3.19 0.03 -1.71 0.04 -1.26 -5.00 135.00 131.19 1ejm s PRO 152 Ca 0.31 1.05 0.16 0.00 0.04 0.00 0.00 61.00 62.56 1ejm s PRO 152 Cb -0.16 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 32.19 1ejm s PRO 152 CO 0.13 -0.90 0.76 -0.25 0.04 0.00 0.00 177.00 176.78 1ejm n ASP 153 N -2.54 0.85 -4.59 6.66 8.00 -1.26 -4.87 116.55 118.79 1ejm n ASP 153 Ca 0.08 0.38 -0.26 0.00 0.71 0.00 0.00 54.79 55.70 1ejm n ASP 153 Cb 0.53 0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1ejm n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ejm s VAL 154 N -2.82 3.29 0.24 2.53 -7.23 -1.26 -0.60 120.40 114.54 1ejm s VAL 154 Ca -0.04 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 1ejm s VAL 154 Cb 0.08 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 1ejm s VAL 154 CO 0.82 -0.17 1.61 -0.22 -0.31 0.00 0.00 175.10 176.83 1ejm s LEU 155 N -3.03 4.36 0.07 1.32 2.96 -0.57 -4.87 118.68 118.93 1ejm s LEU 155 Ca 0.27 2.84 0.03 0.00 -0.22 0.00 0.00 54.13 57.05 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 -0.89 0.07 -0.54 -1.32 0.00 0.00 176.35 173.83 1ejm s LYS 156 N 0.25 2.86 0.13 1.98 -0.14 -0.72 -2.13 119.74 121.96 1ejm s LYS 156 Ca 0.67 -0.69 0.08 0.00 -1.36 0.00 0.00 55.97 54.67 1ejm s LYS 156 Cb -0.47 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 1ejm s LYS 156 CO 0.40 0.57 -0.18 0.00 -0.76 0.00 0.00 175.35 175.38 1ejm s LEU 158 N -2.31 0.21 -0.29 0.00 2.96 0.36 -0.50 118.68 119.10 1ejm s LEU 158 Ca 0.10 0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 54.63 1ejm s LEU 158 Cb -0.07 1.20 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 1ejm s LEU 158 CO 0.05 -0.17 0.36 -0.54 -1.32 0.00 0.00 176.35 174.73 1ejm s LYS 159 N 1.01 3.86 -0.00 1.98 3.01 -1.26 -0.66 119.74 127.68 1ejm s LYS 159 Ca -0.07 -0.12 -0.00 0.00 -1.01 0.00 0.00 55.97 54.77 1ejm s LYS 159 Cb -0.07 -3.71 -0.00 0.00 -1.01 0.00 0.00 37.83 33.04 1ejm s LYS 159 CO -0.08 -0.36 0.01 0.00 0.51 0.00 0.00 175.35 175.43 1ejm s ALA 160 N 2.05 -0.01 0.30 5.17 0.00 -0.52 -4.96 121.76 123.80 1ejm s ALA 160 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 1ejm s ALA 160 Cb -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 1ejm s ALA 160 CO 0.11 -0.02 0.67 -1.25 0.00 0.00 0.00 175.76 175.27 1ejm s PRO 161 N -0.13 3.89 0.20 0.00 0.04 -1.26 -0.76 135.00 136.99 1ejm s PRO 161 Ca -0.01 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 1ejm s PRO 161 Cb -0.01 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 1ejm s PRO 161 CO -0.00 0.18 1.16 0.42 0.04 0.00 0.00 177.00 178.80 1ejm s ILE 162 N -1.99 3.63 0.24 0.56 1.01 -0.35 -1.89 121.20 122.41 1ejm s ILE 162 Ca 0.51 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.56 1ejm s ILE 162 Cb -0.11 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1ejm s ILE 162 CO 0.21 0.25 0.45 -0.76 0.00 0.00 0.00 174.94 175.09 1ejm s LEU 163 N -0.50 4.16 0.42 2.97 1.43 0.62 0.49 118.68 128.27 1ejm s LEU 163 Ca 0.50 0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 1ejm s LEU 163 Cb -0.32 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1ejm s LEU 163 CO 0.37 -0.11 1.40 -0.94 0.23 0.00 0.00 176.35 177.31 1ejm s SER 164 N -3.23 6.12 0.48 2.29 1.04 -1.26 -4.53 113.70 114.62 1ejm s SER 164 Ca 0.40 2.86 0.19 0.00 0.48 0.00 0.00 55.95 59.89 1ejm s SER 164 Cb -0.11 -2.65 1.21 0.00 0.10 0.00 0.00 66.02 64.57 1ejm s SER 164 CO 0.30 -1.00 1.99 0.44 0.98 0.00 0.00 173.24 175.94 1ejm h ASP 165 N 2.60 0.18 -0.04 7.02 3.32 -1.97 -1.30 116.42 126.24 1ejm h ASP 165 Ca -0.50 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ejm h ASP 165 Cb 1.25 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1ejm h ASP 165 CO 0.62 0.11 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.96 1ejm h SER 166 N 0.20 -0.04 1.37 6.45 0.87 -2.00 -0.83 113.55 119.58 1ejm h SER 166 Ca 0.26 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1ejm h SER 166 Cb 0.75 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1ejm h SER 166 CO -0.05 -0.02 -0.21 0.77 -0.53 0.00 0.00 176.83 176.80 1ejm h SER 167 N -0.01 0.00 0.03 6.23 4.64 -1.69 -2.50 113.55 120.25 1ejm h SER 167 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ejm h SER 167 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ejm h SER 167 CO -0.04 0.21 -0.01 0.00 -0.87 0.00 0.00 176.83 176.11 1ejm h LYS 169 N -0.46 0.00 -0.07 0.00 1.57 -1.15 -1.42 116.57 115.04 1ejm h LYS 169 Ca -0.00 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1ejm h LYS 169 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1ejm h LYS 169 CO 0.01 0.32 -0.66 0.77 -0.57 0.00 0.00 179.45 179.32 1ejm h SER 170 N 0.00 0.34 -0.05 0.86 0.02 -1.38 -1.51 113.55 111.83 1ejm h SER 170 Ca -0.00 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.55 1ejm h SER 170 Cb 0.57 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1ejm h SER 170 CO 0.04 0.90 -0.65 0.00 -1.14 0.00 0.00 176.83 175.98 1ejm h ALA 171 N 1.09 0.51 -2.16 3.77 0.00 -0.79 -3.37 119.26 118.32 1ejm h ALA 171 Ca -0.01 -0.56 -0.58 0.00 0.00 0.00 0.00 54.91 53.75 1ejm h ALA 171 Cb 1.20 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1ejm h ALA 171 CO 0.11 0.70 -0.81 0.66 0.00 0.00 0.00 179.25 179.90 1ejm n TYR 172 N -3.94 1.84 -1.64 0.00 4.02 -0.58 -4.93 117.16 111.93 1ejm n TYR 172 Ca -0.05 -3.89 -0.53 0.00 -0.01 0.00 0.00 57.90 53.42 1ejm n TYR 172 Cb 0.67 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 39.48 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 1.19 1.33 -1.04 -0.72 -0.02 -0.58 -1.58 135.00 133.59 1ejm n PRO 173 Ca 0.26 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1ejm n PRO 173 Cb 0.46 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 3.30 0.34 0.00 -1.23 0.00 -1.26 -4.85 105.19 101.49 1ejm n GLY 174 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.01 2.57 -3.31 1.61 6.02 -0.61 -4.99 117.38 117.66 1ejm n GLN 175 Ca -0.01 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 1ejm n GLN 175 Cb 0.29 -0.96 -0.08 0.00 1.02 0.00 0.00 30.24 30.50 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 -2.00 5.12 0.57 5.09 -1.09 -1.25 -5.02 121.20 122.62 1ejm s ILE 176 Ca -0.00 0.66 0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1ejm s ILE 176 Cb 0.04 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1ejm s ILE 176 CO 0.25 0.09 0.79 0.42 -1.23 0.00 0.00 174.94 175.26 1ejm s THR 177 N 2.19 2.44 -1.15 2.92 -4.23 -1.26 -4.97 115.64 111.59 1ejm s THR 177 Ca 0.18 -0.82 0.12 0.00 -1.18 0.00 0.00 61.69 59.99 1ejm s THR 177 Cb -0.16 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1ejm s THR 177 CO 0.10 0.00 1.36 -1.54 -0.54 0.00 0.00 174.62 174.00 1ejm n SER 178 N -2.33 0.00 -1.68 3.99 3.41 -1.26 -2.08 113.62 113.68 1ejm n SER 178 Ca 0.12 0.36 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1ejm n SER 178 Cb 0.60 -0.43 0.37 0.00 -0.26 0.00 0.00 64.21 64.50 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 5.08 -4.23 4.04 3.02 -1.26 -4.92 115.26 115.56 1ejm n ASN 179 Ca 0.04 -2.62 -0.13 0.00 -0.03 0.00 0.00 54.58 51.84 1ejm n ASN 179 Cb 0.13 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.58 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 -2.16 1.02 0.02 3.52 -1.94 -0.88 -0.73 119.30 118.14 1ejm s MET 180 Ca 0.52 -1.44 -0.22 0.00 -1.71 0.00 0.00 55.69 52.84 1ejm s MET 180 Cb 0.36 -0.47 0.05 0.00 2.01 0.00 0.00 34.83 36.78 1ejm s MET 180 CO 0.22 0.02 0.51 -0.59 -0.01 0.00 0.00 175.02 175.16 1ejm s PHE 181 N -3.45 -0.42 0.05 -0.03 -0.12 -0.63 -4.81 117.98 108.57 1ejm s PHE 181 Ca 0.17 0.54 -0.00 0.00 -0.05 0.00 0.00 56.93 57.59 1ejm s PHE 181 Cb 0.04 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1ejm s PHE 181 CO -0.00 -0.59 0.19 0.00 -0.05 0.00 0.00 175.22 174.76 1ejm s ALA 183 N -1.45 -0.69 0.00 0.00 0.00 -0.86 -0.28 121.76 118.48 1ejm s ALA 183 Ca 0.33 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1ejm s ALA 183 Cb -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1ejm s ALA 183 CO 0.25 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1ejm n GLY 1184N 2.27 0.48 2.88 0.00 0.00 -0.79 -2.73 105.19 107.30 1ejm n GLY 1184Ca -0.17 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.21 0.83 0.23 1.61 1.51 -1.26 -4.34 117.35 113.72 1ejm s TYR 184 Ca 0.00 -0.26 0.35 0.00 -1.01 0.00 0.00 57.07 56.16 1ejm s TYR 184 Cb 0.00 -0.75 1.77 0.00 -0.11 0.00 0.00 41.96 42.87 1ejm s TYR 184 CO 0.00 -0.24 2.07 -0.07 -1.11 0.00 0.00 175.55 176.20 1ejm h LEU 185 N 7.41 0.00 -0.10 -1.29 3.38 -1.95 -1.27 115.31 121.49 1ejm h LEU 185 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ejm h LEU 185 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ejm h LEU 185 CO 0.43 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.34 1ejm n GLU 186 N -2.82 0.19 0.00 1.13 1.02 -1.26 0.62 120.64 119.51 1ejm n GLU 186 Ca -0.01 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1ejm n GLU 186 Cb 0.14 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1ejm n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ejm n GLY 187 N 1.12 -2.72 0.95 0.62 0.00 -0.48 -4.46 105.19 100.22 1ejm n GLY 187 Ca 0.05 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.71 2.86 2.95 -0.02 0.00 -0.22 -4.90 105.19 105.14 1ejm n GLY 1188Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 1.55 -0.12 1.61 1.02 -1.26 -3.50 119.74 119.04 1ejm s LYS 188 Ca 0.00 -0.30 -0.33 0.00 0.02 0.00 0.00 55.97 55.35 1ejm s LYS 188 Cb 0.00 -1.49 0.14 0.00 -0.52 0.00 0.00 37.83 35.96 1ejm s LYS 188 CO 0.00 -0.16 1.32 0.34 -0.92 0.00 0.00 175.35 175.94 1ejm s ASP 189 N 1.31 -0.05 0.70 2.83 3.68 -0.86 -4.19 116.67 120.08 1ejm s ASP 189 Ca -0.03 -0.05 -0.07 0.00 2.13 0.00 0.00 52.55 54.53 1ejm s ASP 189 Cb -0.14 0.10 0.06 0.00 -1.45 0.00 0.00 42.92 41.49 1ejm s ASP 189 CO -0.04 -0.17 1.01 -0.94 0.13 0.00 0.00 175.17 175.17 1ejm s SER 190 N -2.65 4.84 0.32 -0.34 1.04 -1.26 -0.25 113.70 115.40 1ejm s SER 190 Ca 0.13 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 1ejm s SER 190 Cb 0.03 -1.14 0.03 0.00 0.10 0.00 0.00 66.02 65.04 1ejm s SER 190 CO -0.04 -1.58 0.53 0.00 0.98 0.00 0.00 173.24 173.12 1ejm n GLN 192 N -0.47 1.65 0.00 0.00 3.00 -1.26 -0.88 117.38 119.42 1ejm n GLN 192 Ca -0.03 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1ejm n GLN 192 Cb 0.50 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.44 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 2.97 1.64 0.03 1.08 0.00 -1.26 -0.76 105.19 108.89 1ejm n GLY 193 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 0.41 -4.46 1.61 10.43 -0.06 -3.66 116.55 120.83 1ejm n ASP 194 Ca 0.00 -0.10 -0.46 0.00 2.57 0.00 0.00 54.79 56.80 1ejm n ASP 194 Cb 0.00 1.32 -0.02 0.00 1.84 0.00 0.00 41.12 44.26 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 -2.18 -0.55 0.00 -2.24 7.64 -1.26 -1.21 113.62 113.83 1ejm n SER 195 Ca -0.01 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1ejm n SER 195 Cb 0.51 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.76 2.87 3.64 0.23 0.00 -0.17 0.69 105.19 114.22 1ejm n GLY 196 Ca 0.14 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 -1.65 1.62 0.34 -0.02 0.00 -0.35 -3.47 107.32 103.79 1ejm s GLY 197 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.65 1ejm s GLY 197 CO 0.00 0.64 0.82 2.56 0.00 0.00 0.00 173.10 177.13 1ejm s PRO 198 N -4.72 4.18 -0.31 2.90 0.04 -1.26 -1.02 135.00 134.80 1ejm s PRO 198 Ca 0.66 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.62 1ejm s PRO 198 Cb -0.21 -2.47 0.09 0.00 0.04 0.00 0.00 34.50 31.95 1ejm s PRO 198 CO 0.59 0.15 0.06 0.08 0.04 0.00 0.00 177.00 177.93 1ejm s VAL 199 N -1.93 1.53 -0.22 -0.36 1.01 -0.65 -3.34 120.40 116.44 1ejm s VAL 199 Ca 0.54 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 1ejm s VAL 199 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ejm s VAL 199 CO 0.17 -0.57 0.11 -0.69 0.00 0.00 0.00 175.10 174.12 1ejm s VAL 200 N 1.30 4.98 -0.19 2.92 1.01 -0.21 -1.53 120.40 128.68 1ejm s VAL 200 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ejm s VAL 200 Cb -0.18 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1ejm s VAL 200 CO -0.16 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.21 1ejm n SER 202 N 4.68 -2.44 -1.04 0.00 7.64 -1.26 -2.13 113.62 119.07 1ejm n SER 202 Ca -0.15 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.82 1ejm n SER 202 Cb 0.47 -4.41 -0.06 0.00 -1.01 0.00 0.00 64.21 59.20 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 -1.43 1.38 3.12 0.23 0.00 -1.26 -4.99 105.19 102.24 1ejm n GLY 203 Ca -0.25 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.07 1.10 -0.70 1.61 -0.14 -0.91 -4.30 119.74 113.33 1ejm s LYS 204 Ca 0.00 -0.58 -0.27 0.00 -1.36 0.00 0.00 55.97 53.76 1ejm s LYS 204 Cb 0.00 -1.08 0.03 0.00 -1.68 0.00 0.00 37.83 35.10 1ejm s LYS 204 CO 0.00 0.29 1.24 -1.17 -0.76 0.00 0.00 175.35 174.95 1ejm s LEU 209 N -0.56 3.29 -0.03 3.17 2.96 -0.64 -0.87 118.68 126.01 1ejm s LEU 209 Ca 0.05 -0.37 0.19 0.00 -0.22 0.00 0.00 54.13 53.78 1ejm s LEU 209 Cb -0.06 -2.67 -0.30 0.00 0.50 0.00 0.00 46.19 43.66 1ejm s LEU 209 CO -0.00 -1.74 0.42 0.00 -1.32 0.00 0.00 176.35 173.71 1ejm n GLN 210 N 9.09 0.58 -4.12 1.98 1.13 -0.58 -4.09 117.38 121.36 1ejm n GLN 210 Ca 0.04 -0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 54.83 1ejm n GLN 210 Cb 0.49 -1.45 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 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 -4.19 0.82 -0.06 1.08 0.00 -0.87 -1.51 107.32 102.59 1ejm s GLY 211 Ca -0.07 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.30 1ejm s GLY 211 CO 0.79 -1.31 -0.06 -0.42 0.00 0.00 0.00 173.10 172.11 1ejm s ILE 212 N -4.01 0.72 0.10 0.90 1.01 -1.10 -1.64 121.20 117.18 1ejm s ILE 212 Ca 0.19 -0.18 -0.34 0.00 0.00 0.00 0.00 60.65 60.32 1ejm s ILE 212 Cb 0.07 -0.74 -0.13 0.00 0.01 0.00 0.00 42.46 41.67 1ejm s ILE 212 CO -0.01 0.28 1.66 0.52 0.00 0.00 0.00 174.94 177.39 1ejm n VAL 213 N 4.33 0.16 0.00 2.92 0.31 -0.19 -1.57 118.33 124.29 1ejm n VAL 213 Ca -0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1ejm n VAL 213 Cb 0.51 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 4.29 0.00 -2.25 4.52 2.88 -1.10 -1.00 113.62 120.96 1ejm n SER 214 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1ejm n SER 214 Cb 0.29 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.19 -1.25 0.00 0.66 4.27 -1.04 -4.90 117.44 113.00 1ejm n TRP 215 Ca 0.00 -1.44 0.00 0.00 -3.89 0.00 0.00 57.50 52.17 1ejm n TRP 215 Cb 0.00 0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 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 -0.36 1.94 3.51 -1.67 0.00 -1.26 -0.72 105.19 106.62 1ejm n GLY 216 Ca -0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 6.19 0.42 1.61 0.15 -1.26 -4.84 113.70 115.96 1ejm s SER 217 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1ejm s SER 217 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1ejm s SER 217 CO 0.00 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.42 1ejm n GLY 219 N 5.33 -0.25 2.84 9.45 0.00 -1.26 -4.67 105.19 116.63 1ejm n GLY 219 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 4.11 -0.65 -2.28 0.00 0.00 -1.26 -4.60 120.51 115.82 1ejm n ALA 1221Ca -0.26 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 1ejm n ALA 1221Cb 0.50 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -4.93 3.81 0.33 0.00 -1.52 -1.26 -1.06 119.66 115.03 1ejm s GLN 221 Ca 0.00 0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 53.52 1ejm s GLN 221 Cb 0.00 -2.50 -0.11 0.00 -0.22 0.00 0.00 33.01 30.18 1ejm s GLN 221 CO 0.00 0.13 1.52 0.15 -0.25 0.00 0.00 175.29 176.83 1ejm s LYS 222 N -3.38 4.13 -1.47 2.91 1.02 -1.26 -2.12 119.74 119.57 1ejm s LYS 222 Ca 0.50 2.54 0.00 0.00 0.02 0.00 0.00 55.97 59.03 1ejm s LYS 222 Cb -0.11 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1ejm s LYS 222 CO 0.26 -0.55 0.00 0.09 -0.92 0.00 0.00 175.35 174.23 1ejm n ASN 223 N 1.25 -5.67 -3.35 2.83 3.02 0.20 -4.89 115.26 108.66 1ejm n ASN 223 Ca 0.04 0.34 -0.26 0.00 -0.03 0.00 0.00 54.58 54.68 1ejm n ASN 223 Cb 0.39 -4.40 -0.08 0.00 -0.61 0.00 0.00 39.78 35.08 1ejm n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ejm n LYS 224 N -1.24 1.31 -1.33 3.52 5.02 -0.90 -4.74 118.16 119.80 1ejm n LYS 224 Ca -0.14 -3.78 -0.29 0.00 -2.02 0.00 0.00 58.31 52.08 1ejm n LYS 224 Cb 0.62 -1.69 0.14 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.46 1.17 0.41 1.97 0.04 -1.26 -4.22 135.00 131.65 1ejm s PRO 225 Ca 0.35 0.59 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 1ejm s PRO 225 Cb 0.13 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1ejm s PRO 225 CO -0.10 -2.25 1.07 0.20 0.04 0.00 0.00 177.00 175.97 1ejm s GLY 226 N -3.65 2.73 -0.10 0.56 0.00 -1.11 -4.66 107.32 101.10 1ejm s GLY 226 Ca 0.63 0.74 -0.01 0.00 0.00 0.00 0.00 44.72 46.09 1ejm s GLY 226 CO 0.56 1.17 -0.06 0.14 0.00 0.00 0.00 173.10 174.91 1ejm s VAL 227 N -1.65 3.76 0.07 1.40 1.01 0.10 -2.02 120.40 123.07 1ejm s VAL 227 Ca 0.59 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1ejm s VAL 227 Cb -0.23 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1ejm s VAL 227 CO 0.29 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.49 1ejm s TYR 228 N -0.31 1.24 0.22 5.22 2.02 0.37 -2.49 117.35 123.61 1ejm s TYR 228 Ca 0.05 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1ejm s TYR 228 Cb -0.13 -0.69 -0.09 0.00 -0.40 0.00 0.00 41.96 40.65 1ejm s TYR 228 CO 0.02 0.06 1.23 0.99 -1.57 0.00 0.00 175.55 176.29 1ejm s THR 229 N -1.29 3.34 -0.93 -0.71 2.01 -0.61 -1.61 115.64 115.85 1ejm s THR 229 Ca -0.02 1.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.95 1ejm s THR 229 Cb -0.10 -3.75 0.10 0.00 0.01 0.00 0.00 72.50 68.77 1ejm s THR 229 CO 0.02 0.20 1.21 -0.75 -0.69 0.00 0.00 174.62 174.62 1ejm s LYS 230 N -0.52 3.55 0.27 4.92 2.20 0.09 -2.72 119.74 127.53 1ejm s LYS 230 Ca 0.53 -1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 54.67 1ejm s LYS 230 Cb -0.35 -4.97 0.49 0.00 -1.51 0.00 0.00 37.83 31.49 1ejm s LYS 230 CO 0.39 -1.91 1.84 0.28 -0.36 0.00 0.00 175.35 175.59 1ejm h VAL 231 N 6.13 0.95 0.00 4.02 2.07 -1.57 -1.98 116.25 125.87 1ejm h VAL 231 Ca 0.12 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ejm h VAL 231 Cb 1.02 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ejm h VAL 231 CO 1.21 0.18 0.33 0.00 0.02 0.00 0.00 177.57 179.31 1ejm n ASN 233 N -2.58 0.49 0.00 0.00 4.13 -0.75 -4.11 115.26 112.44 1ejm n ASN 233 Ca -0.02 -0.28 0.00 0.00 1.68 0.00 0.00 54.58 55.96 1ejm n ASN 233 Cb 0.37 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 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 -1.25 0.00 -0.24 3.10 4.01 0.17 -4.78 117.16 118.18 1ejm n TYR 234 Ca 0.09 -0.44 0.03 0.00 -0.16 0.00 0.00 57.90 57.42 1ejm n TYR 234 Cb 0.33 -0.04 0.15 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.05 0.71 -0.65 -0.72 2.07 -1.69 0.86 116.25 116.88 1ejm h VAL 235 Ca 0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1ejm h VAL 235 Cb 0.46 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1ejm h VAL 235 CO 0.00 0.08 0.20 -1.28 0.02 0.00 0.00 177.57 176.59 1ejm h SER 236 N 0.44 0.95 -0.58 0.57 0.87 -1.90 -1.27 113.55 112.63 1ejm h SER 236 Ca 0.37 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1ejm h SER 236 Cb 0.51 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ejm h SER 236 CO -0.36 0.91 0.16 -0.25 -0.53 0.00 0.00 176.83 176.76 1ejm h TRP 237 N 0.94 0.96 0.08 2.24 7.01 -1.56 -1.87 115.95 123.75 1ejm h TRP 237 Ca 0.21 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1ejm h TRP 237 Cb 0.30 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1ejm h TRP 237 CO 0.02 0.81 -0.04 0.82 -2.79 0.00 0.00 178.44 177.26 1ejm h ILE 238 N 0.83 1.01 -0.15 2.65 2.04 -0.62 -0.85 117.51 122.42 1ejm h ILE 238 Ca 0.19 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1ejm h ILE 238 Cb 0.32 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1ejm h ILE 238 CO -0.00 0.08 0.10 0.11 0.00 0.00 0.00 178.15 178.43 1ejm h LYS 239 N -0.26 0.19 -0.31 2.37 1.57 -1.19 -1.33 116.57 117.61 1ejm h LYS 239 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1ejm h LYS 239 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ejm h LYS 239 CO 0.02 0.13 -0.20 1.96 -0.57 0.00 0.00 179.45 180.79 1ejm h GLN 240 N 0.20 0.57 -0.33 3.15 4.20 -1.35 -1.30 115.11 120.24 1ejm h GLN 240 Ca 0.06 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1ejm h GLN 240 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1ejm h GLN 240 CO -0.02 0.73 -0.06 1.15 -0.67 0.00 0.00 178.83 179.96 1ejm h THR 241 N 0.51 1.27 -0.47 -0.54 2.02 -0.94 -1.87 112.91 112.88 1ejm h THR 241 Ca 0.08 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1ejm h THR 241 Cb 0.62 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1ejm h THR 241 CO 0.04 0.36 0.03 0.40 0.37 0.00 0.00 175.52 176.72 1ejm h ILE 242 N 0.41 1.23 0.00 3.11 2.04 -1.07 -2.29 117.51 120.94 1ejm h ILE 242 Ca 0.09 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 1ejm h ILE 242 Cb 0.55 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1ejm h ILE 242 CO 0.03 0.33 -0.52 0.00 0.00 0.00 0.00 178.15 177.99 1ejm h ALA 243 N 1.32 1.00 -0.01 1.87 0.00 -1.10 -3.19 119.26 119.14 1ejm h ALA 243 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ejm h ALA 243 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ejm h ALA 243 CO 0.01 0.64 -0.42 0.43 0.00 0.00 0.00 179.25 179.92 1ejm n SER 244 N -3.70 1.20 0.00 0.00 7.64 -0.72 -5.09 113.62 112.94 1ejm n SER 244 Ca -0.01 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.91 1ejm n SER 244 Cb 0.57 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1ejm n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62