#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2by7 s VAL 17 N 0.00 5.38 -0.57 1.39 1.01 0.56 -4.02 120.40 124.15 2by7 s VAL 17 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2by7 s VAL 17 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2by7 s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2by7 n GLY 18 N 3.27 0.69 0.00 4.51 0.00 -1.24 -1.43 105.19 111.00 2by7 n GLY 18 Ca -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2by7 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by7 n GLY 19 N -2.09 1.78 3.09 -0.02 0.00 -1.26 -4.85 105.19 101.84 2by7 n GLY 19 Ca -0.06 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 2by7 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2by7 s TYR 20 N 2.35 0.41 -0.07 1.61 1.13 0.26 -4.95 117.35 118.10 2by7 s TYR 20 Ca 0.00 -0.89 -0.30 0.00 -1.41 0.00 0.00 57.07 54.47 2by7 s TYR 20 Cb 0.00 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 2by7 s TYR 20 CO 0.00 -0.37 1.48 0.99 -2.51 0.00 0.00 175.55 175.14 2by7 s THR 21 N -3.46 3.79 0.13 -3.49 2.01 -1.26 -0.47 115.64 112.90 2by7 s THR 21 Ca 0.03 1.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.89 2by7 s THR 21 Cb 0.04 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2by7 s THR 21 CO -0.08 -0.07 1.74 0.00 -0.69 0.00 0.00 174.62 175.52 2by7 n GLY 23 N -0.98 2.63 3.70 0.00 0.00 -1.26 -4.85 105.19 104.43 2by7 n GLY 23 Ca -0.01 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2by7 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by7 n ALA 24 N 1.27 2.36 -1.88 4.61 0.00 -1.26 -2.43 120.51 123.19 2by7 n ALA 24 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 2by7 n ALA 24 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 16.84 2by7 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2by7 n ASN 25 N 4.98 -5.31 -0.04 0.00 3.02 -1.26 -4.86 115.26 111.78 2by7 n ASN 25 Ca 0.17 0.26 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 2by7 n ASN 25 Cb 0.36 -4.41 0.43 0.00 -0.61 0.00 0.00 39.78 35.55 2by7 n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2by7 n THR 26 N -3.10 0.00 -3.57 3.41 -2.24 -1.02 -4.24 114.28 103.52 2by7 n THR 26 Ca -0.20 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 2by7 n THR 26 Cb 0.64 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2by7 n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2by7 n VAL 27 N -1.32 0.95 0.57 2.28 0.31 -1.26 -4.99 118.33 114.87 2by7 n VAL 27 Ca 0.08 -4.56 0.10 0.00 -0.01 0.00 0.00 64.34 59.95 2by7 n VAL 27 Cb 0.33 -2.03 0.43 0.00 -0.91 0.00 0.00 33.84 31.66 2by7 n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2by7 n PRO 28 N 1.75 0.09 0.00 5.55 -0.04 -1.26 -1.64 135.00 139.44 2by7 n PRO 28 Ca 0.25 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2by7 n PRO 28 Cb 0.42 -1.65 0.24 0.00 -0.04 0.00 0.00 33.50 32.46 2by7 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2by7 n TYR 29 N -1.82 0.00 -2.37 0.54 0.18 -1.13 -2.12 117.16 110.44 2by7 n TYR 29 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 2by7 n TYR 29 Cb 0.25 -0.19 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 2by7 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2by7 s GLN 30 N -2.87 4.39 0.23 -3.48 2.00 -0.65 -1.04 119.66 118.24 2by7 s GLN 30 Ca 0.14 1.82 0.11 0.00 -2.00 0.00 0.00 55.36 55.43 2by7 s GLN 30 Cb 0.18 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.56 2by7 s GLN 30 CO 0.67 -0.34 -0.19 0.14 -0.50 0.00 0.00 175.29 175.08 2by7 s VAL 31 N 1.35 2.59 -0.17 1.34 -7.23 -0.25 -4.48 120.40 113.56 2by7 s VAL 31 Ca 0.60 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 2by7 s VAL 31 Cb -0.30 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2by7 s VAL 31 CO 0.28 -0.23 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.28 2by7 s SER 32 N -3.06 5.07 -0.15 4.85 0.15 -0.50 -2.29 113.70 117.77 2by7 s SER 32 Ca 0.25 -0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.65 2by7 s SER 32 Cb -0.07 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2by7 s SER 32 CO 0.13 0.17 0.51 -0.76 1.20 0.00 0.00 173.24 174.48 2by7 s LEU 33 N 0.39 4.22 -0.07 3.45 1.43 -0.01 -0.59 118.68 127.51 2by7 s LEU 33 Ca -0.02 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2by7 s LEU 33 Cb -0.14 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.37 2by7 s LEU 33 CO 0.02 -0.08 -0.15 0.21 0.23 0.00 0.00 176.35 176.58 2by7 s ASN 34 N 0.85 2.03 -0.36 2.29 2.47 -0.18 -1.19 114.94 120.85 2by7 s ASN 34 Ca 0.26 -0.35 0.11 0.00 0.42 0.00 0.00 52.86 53.30 2by7 s ASN 34 Cb -0.15 -0.88 0.45 0.00 -1.45 0.00 0.00 41.25 39.21 2by7 s ASN 34 CO 0.10 0.07 1.07 -1.54 -3.72 0.00 0.00 177.10 173.09 2by7 n SER 37 N 3.66 3.40 0.00 -4.21 3.41 -1.26 -0.76 113.62 117.86 2by7 n SER 37 Ca -0.21 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 2by7 n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2by7 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2by7 n GLY 38 N -0.40 0.24 3.58 5.00 0.00 -1.26 -5.02 105.19 107.33 2by7 n GLY 38 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 2by7 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2by7 s TYR 39 N -2.00 -0.25 0.25 1.61 -0.85 -1.26 -5.14 117.35 109.71 2by7 s TYR 39 Ca 0.00 0.34 -0.31 0.00 -0.52 0.00 0.00 57.07 56.58 2by7 s TYR 39 Cb 0.00 0.49 -0.11 0.00 0.38 0.00 0.00 41.96 42.72 2by7 s TYR 39 CO 0.00 -0.28 1.58 -1.58 -1.52 0.00 0.00 175.55 173.75 2by7 s HIS 40 N -1.65 2.88 0.00 -3.49 5.65 -1.26 -4.18 115.29 113.24 2by7 s HIS 40 Ca 0.04 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.09 2by7 s HIS 40 Cb -0.01 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 2by7 s HIS 40 CO -0.03 -3.49 0.00 1.97 -0.65 0.00 0.00 174.74 172.54 2by7 n PHE 41 N 2.77 0.00 -3.49 3.88 -1.74 -0.34 -4.95 117.46 113.59 2by7 n PHE 41 Ca 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.88 2by7 n PHE 41 Cb 0.38 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.35 2by7 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2by7 s GLY 43 N -2.29 1.76 0.13 0.00 0.00 0.46 -0.83 107.32 106.55 2by7 s GLY 43 Ca 0.02 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.80 2by7 s GLY 43 CO -0.07 -1.05 1.08 -0.32 0.00 0.00 0.00 173.10 172.73 2by7 s GLY 44 N -4.80 -0.08 -0.07 0.20 0.00 -0.97 -3.72 107.32 97.88 2by7 s GLY 44 Ca 0.69 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.40 2by7 s GLY 44 CO 0.46 1.72 -0.10 -0.56 0.00 0.00 0.00 173.10 174.62 2by7 s SER 45 N -3.25 1.69 -0.13 1.64 0.01 -0.24 -1.09 113.70 112.34 2by7 s SER 45 Ca 0.19 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2by7 s SER 45 Cb -0.01 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 2by7 s SER 45 CO 0.03 -0.01 1.08 -0.22 0.41 0.00 0.00 173.24 174.52 2by7 s LEU 46 N 0.92 4.22 -0.00 2.44 2.96 -0.20 -0.91 118.68 128.10 2by7 s LEU 46 Ca -0.10 1.57 0.09 0.00 -0.22 0.00 0.00 54.13 55.47 2by7 s LEU 46 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 2by7 s LEU 46 CO 0.01 -0.55 0.33 2.30 -1.32 0.00 0.00 176.35 177.12 2by7 n ILE 47 N 4.80 0.00 -3.67 6.68 -5.35 -0.33 -0.99 119.36 120.50 2by7 n ILE 47 Ca 0.10 -0.27 -0.05 0.00 -0.27 0.00 0.00 62.75 62.26 2by7 n ILE 47 Cb 0.47 0.82 0.02 0.00 -1.74 0.00 0.00 39.64 39.21 2by7 n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2by7 n ASN 48 N -1.37 -1.59 0.30 7.28 0.23 -1.19 -4.62 115.26 114.29 2by7 n ASN 48 Ca 0.01 -2.02 0.20 0.00 -0.53 0.00 0.00 54.58 52.24 2by7 n ASN 48 Cb 0.16 2.63 1.01 0.00 -2.08 0.00 0.00 39.78 41.51 2by7 n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2by7 h SER 49 N 1.50 0.00 0.00 0.53 4.64 -1.96 -3.14 113.55 115.12 2by7 h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2by7 h SER 49 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2by7 h SER 49 CO 0.31 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.94 2by7 n GLN 50 N -2.93 1.57 -4.21 4.77 7.27 -1.26 -0.22 117.38 122.36 2by7 n GLN 50 Ca -0.02 -1.02 -0.17 0.00 0.07 0.00 0.00 57.00 55.86 2by7 n GLN 50 Cb 0.11 -0.78 -0.15 0.00 2.41 0.00 0.00 30.24 31.84 2by7 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2by7 s TRP 51 N -0.53 0.60 -0.01 3.69 0.52 -1.19 -0.87 118.94 121.16 2by7 s TRP 51 Ca 0.00 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.08 2by7 s TRP 51 Cb 0.00 -0.43 -0.02 0.00 -1.15 0.00 0.00 33.47 31.87 2by7 s TRP 51 CO 0.00 -0.05 -0.25 0.08 0.02 0.00 0.00 176.95 176.75 2by7 s VAL 52 N 0.09 2.14 -0.08 4.03 1.01 0.00 -1.19 120.40 126.41 2by7 s VAL 52 Ca -0.01 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2by7 s VAL 52 Cb -0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2by7 s VAL 52 CO -0.00 0.53 -0.13 0.54 0.00 0.00 0.00 175.10 176.03 2by7 s VAL 53 N -0.67 3.10 0.03 2.92 0.11 -0.09 -0.75 120.40 125.06 2by7 s VAL 53 Ca 0.11 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.48 2by7 s VAL 53 Cb -0.10 -2.25 -0.00 0.00 -1.53 0.00 0.00 36.38 32.50 2by7 s VAL 53 CO -0.00 0.57 0.03 -0.24 -3.33 0.00 0.00 175.10 172.13 2by7 n SER 54 N 2.73 -0.09 -4.83 3.54 2.88 -0.61 -1.07 113.62 116.18 2by7 n SER 54 Ca -0.18 -1.21 -0.36 0.00 -1.33 0.00 0.00 58.87 55.79 2by7 n SER 54 Cb 0.52 0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 2by7 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2by7 s ALA 55 N -2.04 3.49 0.47 -1.46 0.00 -1.26 -1.16 121.76 119.80 2by7 s ALA 55 Ca 0.04 0.04 0.12 0.00 0.00 0.00 0.00 51.96 52.16 2by7 s ALA 55 Cb 0.00 -2.69 1.09 0.00 0.00 0.00 0.00 23.12 21.52 2by7 s ALA 55 CO 0.03 0.38 2.11 0.00 0.00 0.00 0.00 175.76 178.28 2by7 h ALA 56 N 3.56 1.87 0.00 0.00 0.00 -1.68 -1.42 119.26 121.59 2by7 h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2by7 h ALA 56 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2by7 h ALA 56 CO 0.65 0.12 0.00 -2.39 0.00 0.00 0.00 179.25 177.63 2by7 n HIS 57 N -4.51 0.00 1.53 0.00 1.44 -1.26 -1.31 115.22 111.11 2by7 n HIS 57 Ca -0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 2by7 n HIS 57 Cb 0.08 -0.39 0.56 0.00 0.12 0.00 0.00 29.99 30.35 2by7 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2by7 n TYR 59 N 0.08 2.68 -3.62 0.00 9.36 -0.43 -4.99 117.16 120.24 2by7 n TYR 59 Ca 0.19 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.57 2by7 n TYR 59 Cb 0.33 -2.58 -0.02 0.00 -0.63 0.00 0.00 39.34 36.44 2by7 n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2by7 s LYS 60 N -0.08 1.42 0.59 2.98 -2.85 -1.26 -5.14 119.74 115.39 2by7 s LYS 60 Ca 0.68 -0.67 -0.09 0.00 -1.00 0.00 0.00 55.97 54.89 2by7 s LYS 60 Cb -0.54 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 2by7 s LYS 60 CO 0.45 -0.64 0.95 -1.54 0.10 0.00 0.00 175.35 174.67 2by7 s SER 61 N -2.81 6.06 -0.54 0.03 1.04 -1.26 -4.47 113.70 111.75 2by7 s SER 61 Ca 0.06 1.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 2by7 s SER 61 Cb -0.03 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2by7 s SER 61 CO -0.04 -0.87 0.45 0.61 0.98 0.00 0.00 173.24 174.38 2by7 n GLY 62 N -2.62 0.35 3.74 7.32 0.00 -1.26 -5.00 105.19 107.72 2by7 n GLY 62 Ca 0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2by7 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2by7 s ILE 63 N -3.10 4.68 -0.16 -0.61 1.01 -1.26 -4.59 121.20 117.17 2by7 s ILE 63 Ca 0.22 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.57 2by7 s ILE 63 Cb -0.10 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2by7 s ILE 63 CO 0.28 0.35 -0.03 -1.58 0.00 0.00 0.00 174.94 173.96 2by7 s GLN 64 N -0.03 3.67 -0.12 2.79 0.74 0.06 -1.12 119.66 125.64 2by7 s GLN 64 Ca 0.40 -0.52 -0.18 0.00 0.05 0.00 0.00 55.36 55.12 2by7 s GLN 64 Cb -0.21 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 2by7 s GLN 64 CO 0.24 0.22 0.46 0.08 -0.55 0.00 0.00 175.29 175.74 2by7 s VAL 65 N 0.42 5.20 -0.28 1.34 1.01 0.36 -1.01 120.40 127.44 2by7 s VAL 65 Ca -0.04 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 2by7 s VAL 65 Cb -0.14 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2by7 s VAL 65 CO 0.03 0.33 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 2by7 s ARG 66 N 0.61 2.58 0.24 2.72 0.52 0.24 -0.93 118.95 124.94 2by7 s ARG 66 Ca 0.25 -1.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 2by7 s ARG 66 Cb -0.15 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 2by7 s ARG 66 CO 0.10 -0.53 0.33 -0.51 0.02 0.00 0.00 175.30 174.70 2by7 s LEU 67 N 1.27 4.20 -0.81 2.53 2.01 0.29 -1.41 118.68 126.77 2by7 s LEU 67 Ca -0.03 -0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.10 2by7 s LEU 67 Cb -0.19 -2.75 0.00 0.00 0.01 0.00 0.00 46.19 43.27 2by7 s LEU 67 CO -0.03 -0.07 0.00 0.61 1.01 0.00 0.00 176.35 177.88 2by7 n GLY 69 N -1.36 0.94 3.80 -3.19 0.00 -1.26 -0.45 105.19 103.67 2by7 n GLY 69 Ca -0.09 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 2by7 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by7 s GLU 70 N -2.40 4.33 0.00 1.61 0.41 -1.26 -3.79 118.70 117.60 2by7 s GLU 70 Ca 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 2by7 s GLU 70 Cb 0.00 -3.10 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 2by7 s GLU 70 CO 0.00 0.52 0.00 -3.47 -0.49 0.00 0.00 175.26 171.82 2by7 n ASP 71 N 1.28 0.00 -4.61 -0.19 2.03 -1.26 -4.56 116.55 109.23 2by7 n ASP 71 Ca -0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.82 2by7 n ASP 71 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 2by7 n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2by7 s ASN 72 N 0.77 6.48 0.00 1.67 3.84 -1.25 -3.59 114.94 122.85 2by7 s ASN 72 Ca 0.00 1.04 0.23 0.00 0.21 0.00 0.00 52.86 54.34 2by7 s ASN 72 Cb 0.00 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.40 2by7 s ASN 72 CO 0.00 -1.28 1.77 2.30 -2.79 0.00 0.00 177.10 177.10 2by7 n ILE 73 N 6.67 0.20 0.38 -5.21 -5.35 -0.36 -2.91 119.36 112.77 2by7 n ILE 73 Ca 0.16 0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.75 2by7 n ILE 73 Cb 0.47 -0.67 0.08 0.00 -1.74 0.00 0.00 39.64 37.78 2by7 n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2by7 n ASN 74 N -1.20 2.29 -3.89 7.28 3.02 -1.26 -4.97 115.26 116.53 2by7 n ASN 74 Ca 0.13 -1.64 -0.17 0.00 -0.03 0.00 0.00 54.58 52.87 2by7 n ASN 74 Cb 0.15 -0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 2by7 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2by7 s VAL 75 N -1.06 0.34 -0.35 2.41 1.01 -1.15 -5.11 120.40 116.50 2by7 s VAL 75 Ca 0.18 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 2by7 s VAL 75 Cb 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2by7 s VAL 75 CO 0.17 0.15 1.00 -0.69 0.00 0.00 0.00 175.10 175.73 2by7 s VAL 76 N 0.55 4.53 -0.40 2.92 1.01 -1.26 -4.69 120.40 123.06 2by7 s VAL 76 Ca -0.06 1.45 0.12 0.00 0.00 0.00 0.00 61.98 63.49 2by7 s VAL 76 Cb -0.09 -4.38 -0.15 0.00 0.00 0.00 0.00 36.38 31.76 2by7 s VAL 76 CO -0.01 -0.53 0.44 -0.62 0.00 0.00 0.00 175.10 174.38 2by7 n GLU 77 N 6.87 2.25 0.00 2.72 1.02 -1.26 -5.03 120.64 127.21 2by7 n GLU 77 Ca 0.10 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2by7 n GLU 77 Cb 0.48 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 2by7 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2by7 n GLY 78 N 1.44 1.32 0.20 0.62 0.00 -1.26 -4.99 105.19 102.52 2by7 n GLY 78 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2by7 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2by7 n ASN 79 N 0.00 2.33 -4.79 1.61 3.02 -1.26 -5.06 115.26 111.11 2by7 n ASN 79 Ca 0.00 -2.15 -0.35 0.00 -0.03 0.00 0.00 54.58 52.05 2by7 n ASN 79 Cb 0.00 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2by7 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2by7 s GLU 80 N -1.26 3.83 -0.10 3.52 8.01 -1.25 -4.27 118.70 127.18 2by7 s GLU 80 Ca 0.10 1.46 0.01 0.00 0.01 0.00 0.00 54.97 56.55 2by7 s GLU 80 Cb 0.07 -2.21 0.02 0.00 -4.31 0.00 0.00 34.13 27.70 2by7 s GLU 80 CO 0.04 -0.42 -0.11 -0.65 0.01 0.00 0.00 175.26 174.14 2by7 s GLN 81 N -3.02 1.77 -0.26 1.61 -0.21 0.40 -4.96 119.66 114.99 2by7 s GLN 81 Ca 0.65 -0.38 -0.07 0.00 0.02 0.00 0.00 55.36 55.59 2by7 s GLN 81 Cb -0.19 -1.65 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 2by7 s GLN 81 CO 0.24 -0.15 0.06 -0.06 -2.12 0.00 0.00 175.29 173.25 2by7 s PHE 82 N 1.29 3.09 -0.06 0.91 0.08 -1.26 -0.55 117.98 121.48 2by7 s PHE 82 Ca -0.02 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.40 2by7 s PHE 82 Cb -0.14 -2.23 0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2by7 s PHE 82 CO -0.04 -0.44 -0.02 0.42 -0.10 0.00 0.00 175.22 175.04 2by7 s ILE 83 N 1.57 0.46 0.52 0.64 1.01 -0.11 -4.98 121.20 120.31 2by7 s ILE 83 Ca 0.05 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 2by7 s ILE 83 Cb -0.16 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 2by7 s ILE 83 CO 0.03 0.25 1.19 -0.44 0.00 0.00 0.00 174.94 175.97 2by7 s SER 84 N 1.58 5.73 0.28 3.58 0.01 -1.26 -0.49 113.70 123.13 2by7 s SER 84 Ca -0.01 2.36 -0.29 0.00 1.31 0.00 0.00 55.95 59.32 2by7 s SER 84 Cb -0.13 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 2by7 s SER 84 CO -0.04 -1.22 1.09 0.00 0.41 0.00 0.00 173.24 173.48 2by7 s ALA 85 N -1.57 3.40 -0.12 1.44 0.00 -0.28 -0.82 121.76 123.82 2by7 s ALA 85 Ca 0.70 0.88 0.17 0.00 0.00 0.00 0.00 51.96 53.71 2by7 s ALA 85 Cb -0.30 -3.32 -0.22 0.00 0.00 0.00 0.00 23.12 19.28 2by7 s ALA 85 CO 0.34 -0.14 0.49 -1.13 0.00 0.00 0.00 175.76 175.32 2by7 n SER 86 N 1.24 0.44 -3.57 0.00 3.41 0.35 -4.74 113.62 110.74 2by7 n SER 86 Ca -0.01 0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 2by7 n SER 86 Cb 0.45 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 2by7 n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2by7 s LYS 87 N -2.81 0.74 0.20 4.33 -2.85 -1.23 -5.01 119.74 113.11 2by7 s LYS 87 Ca -0.06 0.32 0.08 0.00 -1.00 0.00 0.00 55.97 55.31 2by7 s LYS 87 Cb 0.08 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 2by7 s LYS 87 CO 0.83 -0.20 -0.16 -1.54 0.10 0.00 0.00 175.35 174.38 2by7 s SER 88 N -0.79 2.68 -0.25 0.03 1.04 -1.26 -0.21 113.70 114.93 2by7 s SER 88 Ca -0.04 -0.97 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 2by7 s SER 88 Cb -0.01 -0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.05 2by7 s SER 88 CO 0.03 -0.11 0.17 -0.63 0.98 0.00 0.00 173.24 173.68 2by7 s ILE 89 N -2.62 -0.17 0.35 -1.02 1.01 0.66 -4.99 121.20 114.41 2by7 s ILE 89 Ca 0.21 -0.50 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 2by7 s ILE 89 Cb -0.03 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 2by7 s ILE 89 CO 0.07 -0.52 1.08 -0.69 0.00 0.00 0.00 174.94 174.89 2by7 s VAL 90 N 2.19 3.55 0.29 2.92 1.01 -1.26 -0.97 120.40 128.13 2by7 s VAL 90 Ca 0.07 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.12 2by7 s VAL 90 Cb -0.16 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.31 2by7 s VAL 90 CO -0.27 0.17 1.12 1.57 0.00 0.00 0.00 175.10 177.68 2by7 n HIS 91 N 0.47 1.59 0.12 5.22 -0.00 -0.61 -4.83 115.22 117.18 2by7 n HIS 91 Ca 0.02 0.65 0.15 0.00 0.46 0.00 0.00 57.72 59.00 2by7 n HIS 91 Cb 0.47 -2.31 0.68 0.00 -0.12 0.00 0.00 29.99 28.72 2by7 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2by7 h PRO 92 N 2.35 0.00 -0.37 1.57 0.13 -1.93 -2.11 132.00 131.63 2by7 h PRO 92 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2by7 h PRO 92 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2by7 h PRO 92 CO 0.62 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.82 2by7 n SER 93 N -4.39 3.96 -4.70 1.44 7.64 -1.26 -5.01 113.62 111.29 2by7 n SER 93 Ca 0.04 -2.66 -0.44 0.00 1.01 0.00 0.00 58.87 56.82 2by7 n SER 93 Cb 0.38 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 2by7 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2by7 n TYR 94 N 0.11 2.54 -4.06 1.43 9.36 -0.80 -4.66 117.16 121.09 2by7 n TYR 94 Ca 0.20 0.23 -0.33 0.00 3.32 0.00 0.00 57.90 61.32 2by7 n TYR 94 Cb 0.80 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 36.78 2by7 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2by7 s ASN 95 N 0.77 3.83 0.22 2.98 3.84 -0.68 -5.01 114.94 120.89 2by7 s ASN 95 Ca 0.72 -0.89 0.25 0.00 0.21 0.00 0.00 52.86 53.15 2by7 s ASN 95 Cb -0.58 -1.56 0.88 0.00 -0.55 0.00 0.00 41.25 39.45 2by7 s ASN 95 CO 0.41 -0.08 1.76 -1.54 -2.79 0.00 0.00 177.10 174.85 2by7 n SER 96 N 4.59 0.73 0.01 -4.21 3.41 -1.26 -0.17 113.62 116.73 2by7 n SER 96 Ca -0.18 0.61 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 2by7 n SER 96 Cb 0.47 -0.79 -0.13 0.00 -0.26 0.00 0.00 64.21 63.51 2by7 n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2by7 h ASN 97 N 0.00 0.40 0.40 4.04 2.35 -1.97 -3.36 115.58 117.44 2by7 h ASN 97 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 2by7 h ASN 97 Cb 0.60 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2by7 h ASN 97 CO 0.00 1.23 -1.07 0.35 -1.65 0.00 0.00 177.43 176.29 2by7 n THR 98 N -4.27 0.16 -1.60 2.81 -2.24 -1.18 -4.96 114.28 102.99 2by7 n THR 98 Ca -0.12 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.22 2by7 n THR 98 Cb 0.69 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 2by7 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2by7 n LEU 99 N -1.96 -1.44 -4.75 3.22 4.77 0.76 -4.99 117.00 112.61 2by7 n LEU 99 Ca 0.02 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.04 2by7 n LEU 99 Cb 0.44 -2.70 -0.02 0.00 -2.33 0.00 0.00 43.42 38.80 2by7 n LEU 99 CO 0.41 -0.98 1.02 0.21 -1.33 0.00 0.00 177.39 176.71 2by7 s ASN 100 N -2.76 6.79 -0.97 -1.43 2.47 -1.20 -2.98 114.94 114.84 2by7 s ASN 100 Ca 0.00 2.58 -0.02 0.00 0.42 0.00 0.00 52.86 55.84 2by7 s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2by7 s ASN 100 CO 0.00 -0.58 0.82 0.59 -3.72 0.00 0.00 177.10 174.22 2by7 n ASN 101 N 1.88 -3.04 -4.13 -4.21 3.02 -1.26 -1.69 115.26 105.82 2by7 n ASN 101 Ca 0.04 -0.47 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 2by7 n ASN 101 Cb 0.42 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 2by7 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2by7 n ASP 102 N -2.47 4.74 -3.77 6.41 2.03 -1.16 -4.23 116.55 118.09 2by7 n ASP 102 Ca -0.16 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.07 2by7 n ASP 102 Cb 0.61 -1.62 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 2by7 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2by7 s ILE 103 N 2.40 0.01 0.12 5.18 2.07 -1.26 -3.82 121.20 125.90 2by7 s ILE 103 Ca 0.46 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 2by7 s ILE 103 Cb 0.07 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 2by7 s ILE 103 CO -0.00 -0.04 0.13 0.00 -1.91 0.00 0.00 174.94 173.12 2by7 s MET 104 N -0.03 0.93 0.02 3.50 0.23 -0.31 -1.57 119.30 122.06 2by7 s MET 104 Ca -0.02 -1.26 0.08 0.00 -1.03 0.00 0.00 55.69 53.46 2by7 s MET 104 Cb -0.03 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 2by7 s MET 104 CO 0.01 -0.28 -0.24 -0.51 -2.03 0.00 0.00 175.02 171.96 2by7 s LEU 105 N -2.98 2.24 -0.10 0.18 1.43 -0.14 -1.57 118.68 117.74 2by7 s LEU 105 Ca 0.17 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2by7 s LEU 105 Cb 0.06 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.94 2by7 s LEU 105 CO -0.02 0.29 -0.12 -0.63 0.23 0.00 0.00 176.35 176.09 2by7 s ILE 106 N -0.75 1.27 -0.11 -0.59 1.01 0.07 -0.25 121.20 121.84 2by7 s ILE 106 Ca 0.12 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2by7 s ILE 106 Cb -0.10 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2by7 s ILE 106 CO 0.01 0.40 0.28 -0.75 0.00 0.00 0.00 174.94 174.87 2by7 s LYS 107 N 1.07 3.97 0.25 2.79 2.20 0.71 -0.82 119.74 129.91 2by7 s LYS 107 Ca -0.06 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 2by7 s LYS 107 Cb -0.15 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 2by7 s LYS 107 CO -0.02 0.49 0.93 -0.51 -0.36 0.00 0.00 175.35 175.88 2by7 s LEU 108 N -0.29 4.59 0.47 5.43 1.43 -0.05 -0.50 118.68 129.76 2by7 s LEU 108 Ca 0.17 1.91 0.15 0.00 -1.03 0.00 0.00 54.13 55.33 2by7 s LEU 108 Cb -0.14 -3.65 1.09 0.00 0.03 0.00 0.00 46.19 43.52 2by7 s LEU 108 CO 0.06 0.13 2.04 0.11 0.23 0.00 0.00 176.35 178.91 2by7 h LYS 109 N 4.00 0.00 -4.56 1.70 1.57 -1.27 -3.43 116.57 114.59 2by7 h LYS 109 Ca -0.45 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.10 2by7 h LYS 109 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 2by7 h LYS 109 CO 0.67 0.13 -0.70 -1.54 -0.57 0.00 0.00 179.45 177.44 2by7 s SER 110 N -7.01 0.96 0.22 0.86 1.04 -1.26 -5.01 113.70 103.50 2by7 s SER 110 Ca -0.04 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 2by7 s SER 110 Cb 0.16 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 2by7 s SER 110 CO 0.69 -0.41 1.22 0.00 0.98 0.00 0.00 173.24 175.72 2by7 s ALA 111 N -3.02 3.46 0.56 5.32 0.00 -1.26 -4.83 121.76 121.99 2by7 s ALA 111 Ca 0.05 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 2by7 s ALA 111 Cb 0.01 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2by7 s ALA 111 CO -0.04 -0.40 1.19 0.00 0.00 0.00 0.00 175.76 176.51 2by7 s ALA 112 N -0.29 2.66 -0.42 0.00 0.00 0.69 -4.99 121.76 119.40 2by7 s ALA 112 Ca 0.52 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 2by7 s ALA 112 Cb -0.34 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.38 2by7 s ALA 112 CO 0.39 -0.99 0.78 -1.12 0.00 0.00 0.00 175.76 174.82 2by7 s SER 113 N -1.57 6.46 -0.04 0.00 0.01 -1.26 -4.84 113.70 112.45 2by7 s SER 113 Ca 0.74 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.88 2by7 s SER 113 Cb -0.29 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2by7 s SER 113 CO 0.32 -0.85 0.45 -0.76 0.41 0.00 0.00 173.24 172.81 2by7 s LEU 114 N 3.22 4.40 0.00 2.44 1.43 -1.26 -4.79 118.68 124.12 2by7 s LEU 114 Ca 0.30 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 2by7 s LEU 114 Cb -0.12 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2by7 s LEU 114 CO 0.21 0.19 0.59 -0.46 0.23 0.00 0.00 176.35 177.11 2by7 n ASN 115 N 2.53 -1.33 -0.29 2.29 0.23 -0.83 -5.03 115.26 112.83 2by7 n ASN 115 Ca -0.11 -1.83 0.02 0.00 -0.53 0.00 0.00 54.58 52.13 2by7 n ASN 115 Cb 0.52 2.20 0.22 0.00 -2.08 0.00 0.00 39.78 40.64 2by7 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2by7 h SER 116 N 1.29 0.93 1.36 0.53 4.64 -2.00 -2.99 113.55 117.31 2by7 h SER 116 Ca -0.20 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2by7 h SER 116 Cb 0.80 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2by7 h SER 116 CO 0.26 0.63 -0.66 0.03 -0.87 0.00 0.00 176.83 176.22 2by7 h ARG 117 N 1.07 0.00 -4.12 4.77 3.08 -1.93 -3.42 114.38 113.83 2by7 h ARG 117 Ca 0.35 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.84 2by7 h ARG 117 Cb 0.06 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.72 2by7 h ARG 117 CO -0.11 0.10 -0.79 0.08 -1.07 0.00 0.00 179.97 178.18 2by7 s VAL 118 N -3.21 1.11 -0.02 2.04 1.01 -1.13 -4.49 120.40 115.71 2by7 s VAL 118 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2by7 s VAL 118 Cb 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2by7 s VAL 118 CO 0.75 0.04 0.30 0.00 0.00 0.00 0.00 175.10 176.19 2by7 s ALA 119 N 1.62 -0.77 0.65 5.51 0.00 -0.90 -1.97 121.76 125.91 2by7 s ALA 119 Ca -0.01 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 2by7 s ALA 119 Cb -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2by7 s ALA 119 CO -0.07 -0.26 1.05 -1.54 0.00 0.00 0.00 175.76 174.94 2by7 s SER 120 N -1.30 5.73 -0.07 0.00 1.04 -1.26 -2.85 113.70 114.99 2by7 s SER 120 Ca -0.13 1.59 0.01 0.00 0.48 0.00 0.00 55.95 57.89 2by7 s SER 120 Cb -0.05 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2by7 s SER 120 CO 0.04 -1.20 -0.08 -0.51 0.98 0.00 0.00 173.24 172.47 2by7 s ILE 121 N -2.98 3.61 0.41 -1.02 1.10 -0.16 -4.86 121.20 117.30 2by7 s ILE 121 Ca 0.58 -0.51 -0.25 0.00 -0.51 0.00 0.00 60.65 59.96 2by7 s ILE 121 Cb -0.13 -2.48 -0.08 0.00 0.15 0.00 0.00 42.46 39.92 2by7 s ILE 121 CO 0.51 0.59 1.26 -0.44 -2.11 0.00 0.00 174.94 174.75 2by7 s SER 122 N -0.69 6.32 0.53 4.50 0.01 -1.26 -4.58 113.70 118.53 2by7 s SER 122 Ca 0.10 2.55 -0.17 0.00 1.31 0.00 0.00 55.95 59.74 2by7 s SER 122 Cb -0.11 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2by7 s SER 122 CO 0.02 -0.83 1.01 -0.76 0.41 0.00 0.00 173.24 173.08 2by7 s LEU 123 N -2.52 3.64 0.49 2.44 1.43 -1.26 -0.90 118.68 122.00 2by7 s LEU 123 Ca 0.58 1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 55.14 2by7 s LEU 123 Cb -0.35 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.27 2by7 s LEU 123 CO 0.45 -0.74 1.10 -2.16 0.23 0.00 0.00 176.35 175.24 2by7 s PRO 124 N -3.92 3.65 -0.02 1.29 0.04 -1.26 -4.77 135.00 130.00 2by7 s PRO 124 Ca 0.61 1.57 0.21 0.00 0.04 0.00 0.00 61.00 63.44 2by7 s PRO 124 Cb -0.12 -2.18 -0.31 0.00 0.04 0.00 0.00 34.50 31.93 2by7 s PRO 124 CO 0.30 -0.60 0.54 0.25 0.04 0.00 0.00 177.00 177.54 2by7 n THR 125 N -0.90 0.00 -4.03 1.26 -2.24 -1.26 -4.96 114.28 102.15 2by7 n THR 125 Ca 0.09 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 2by7 n THR 125 Cb 0.51 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 2by7 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2by7 s SER 127 N -4.21 0.53 0.59 3.42 1.04 -1.26 -5.15 113.70 108.66 2by7 s SER 127 Ca -0.05 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 2by7 s SER 127 Cb 0.14 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2by7 s SER 127 CO 0.89 -0.32 1.12 0.00 0.98 0.00 0.00 173.24 175.90 2by7 s ALA 129 N -2.04 3.41 0.14 0.00 0.00 -1.26 -5.09 121.76 116.91 2by7 s ALA 129 Ca 0.70 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2by7 s ALA 129 Cb -0.22 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2by7 s ALA 129 CO 0.33 -0.29 0.16 -1.12 0.00 0.00 0.00 175.76 174.84 2by7 s SER 130 N -3.98 5.73 0.28 0.00 0.01 -1.26 -5.06 113.70 109.41 2by7 s SER 130 Ca 0.47 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 57.41 2by7 s SER 130 Cb -0.10 -1.57 -0.14 0.00 0.21 0.00 0.00 66.02 64.42 2by7 s SER 130 CO 0.43 0.09 1.18 0.00 0.41 0.00 0.00 173.24 175.35 2by7 n ALA 132 N -0.22 0.37 0.00 1.44 0.00 -1.26 -1.55 120.51 119.29 2by7 n ALA 132 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2by7 n ALA 132 Cb 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2by7 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by7 n GLY 133 N 1.38 3.42 3.72 0.00 0.00 0.27 -4.97 105.19 109.01 2by7 n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2by7 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by7 s THR 134 N -2.87 2.48 0.01 2.61 2.01 -0.59 -4.68 115.64 114.61 2by7 s THR 134 Ca 0.00 0.33 -0.26 0.00 0.31 0.00 0.00 61.69 62.07 2by7 s THR 134 Cb 0.00 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2by7 s THR 134 CO 0.00 0.02 0.79 -1.58 -0.69 0.00 0.00 174.62 173.16 2by7 s GLN 135 N 1.26 4.50 0.28 4.92 2.00 -1.26 -1.27 119.66 130.09 2by7 s GLN 135 Ca 0.72 1.09 0.06 0.00 -2.00 0.00 0.00 55.36 55.22 2by7 s GLN 135 Cb -0.45 -3.41 -0.06 0.00 0.80 0.00 0.00 33.01 29.89 2by7 s GLN 135 CO 0.32 0.16 -0.03 0.00 -0.50 0.00 0.00 175.29 175.23 2by7 s LEU 137 N -3.44 2.77 -0.08 0.00 2.96 0.96 -1.24 118.68 120.62 2by7 s LEU 137 Ca 0.30 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2by7 s LEU 137 Cb 0.05 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2by7 s LEU 137 CO 0.12 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.40 2by7 s ILE 138 N 1.30 3.18 0.05 6.68 1.01 0.13 -1.36 121.20 132.19 2by7 s ILE 138 Ca 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2by7 s ILE 138 Cb -0.14 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2by7 s ILE 138 CO -0.04 0.57 0.12 -0.94 0.00 0.00 0.00 174.94 174.66 2by7 s SER 139 N -0.44 0.17 0.00 3.58 1.04 -1.20 -0.62 113.70 116.23 2by7 s SER 139 Ca 0.05 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2by7 s SER 139 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2by7 s SER 139 CO 0.02 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2by7 n GLY 140 N 0.51 -0.51 1.40 7.32 0.00 -0.47 -4.34 105.19 109.10 2by7 n GLY 140 Ca -0.18 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.74 2by7 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2by7 n TRP 141 N -0.67 1.51 -1.65 1.61 8.01 -1.26 -1.84 117.44 123.15 2by7 n TRP 141 Ca 0.00 -0.79 -0.23 0.00 -1.31 0.00 0.00 57.50 55.17 2by7 n TRP 141 Cb 0.00 -0.40 0.16 0.00 -2.01 0.00 0.00 31.31 29.06 2by7 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2by7 n GLY 142 N 0.11 -1.53 3.71 6.99 0.00 -1.25 -4.36 105.19 108.87 2by7 n GLY 142 Ca 0.24 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2by7 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2by7 n ASN 143 N -3.73 2.90 -0.93 1.61 5.15 0.17 -2.89 115.26 117.55 2by7 n ASN 143 Ca 0.13 1.21 0.10 0.00 -0.60 0.00 0.00 54.58 55.41 2by7 n ASN 143 Cb 0.45 -1.50 0.16 0.00 -0.53 0.00 0.00 39.78 38.35 2by7 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2by7 n THR 144 N 0.44 0.38 -4.90 -0.44 -2.24 -0.33 -0.96 114.28 106.24 2by7 n THR 144 Ca 0.05 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.83 2by7 n THR 144 Cb 0.36 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.51 2by7 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2by7 s LYS 145 N -1.40 2.04 0.22 -0.78 1.02 -1.26 -4.39 119.74 115.20 2by7 s LYS 145 Ca 0.30 -0.98 0.19 0.00 0.02 0.00 0.00 55.97 55.50 2by7 s LYS 145 Cb 0.18 -2.11 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2by7 s LYS 145 CO 0.26 0.55 1.19 0.66 -0.92 0.00 0.00 175.35 177.08 2by7 h SER 146 N 4.92 0.00 -3.28 2.83 4.64 -1.93 -3.43 113.55 117.30 2by7 h SER 146 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.30 2by7 h SER 146 Cb 1.14 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.88 2by7 h SER 146 CO 0.46 0.30 -0.82 -0.44 -0.87 0.00 0.00 176.83 175.46 2by7 s SER 147 N -5.92 2.22 0.04 4.97 0.01 -1.26 -4.65 113.70 109.11 2by7 s SER 147 Ca 0.01 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2by7 s SER 147 Cb 0.08 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.34 2by7 s SER 147 CO 0.76 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2by7 n GLY 148 N 4.30 -1.71 3.07 3.44 0.00 -1.26 -4.97 105.19 108.06 2by7 n GLY 148 Ca -0.18 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 2by7 n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by7 s THR 149 N 0.00 -0.17 -0.17 2.61 2.01 -1.26 -4.60 115.64 114.05 2by7 s THR 149 Ca 0.00 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 2by7 s THR 149 Cb 0.00 -0.43 0.08 0.00 0.01 0.00 0.00 72.50 72.16 2by7 s THR 149 CO 0.00 0.08 0.37 -0.55 -0.69 0.00 0.00 174.62 173.82 2by7 s SER 150 N 1.67 -0.09 -0.20 3.53 0.15 -1.26 -4.99 113.70 112.51 2by7 s SER 150 Ca -0.06 0.85 -0.08 0.00 0.70 0.00 0.00 55.95 57.36 2by7 s SER 150 Cb -0.11 1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 65.24 2by7 s SER 150 CO -0.09 -0.23 0.08 -0.31 1.20 0.00 0.00 173.24 173.89 2by7 s TYR 151 N 2.42 3.23 -0.48 3.44 1.51 -1.26 -1.19 117.35 125.02 2by7 s TYR 151 Ca -0.02 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 2by7 s TYR 151 Cb -0.12 -2.14 0.51 0.00 -0.11 0.00 0.00 41.96 40.11 2by7 s TYR 151 CO -0.11 0.06 1.34 -0.35 -1.11 0.00 0.00 175.55 175.37 2by7 n PRO 152 N 3.88 3.23 0.00 -1.71 -0.04 -1.26 -5.00 135.00 134.10 2by7 n PRO 152 Ca -0.16 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2by7 n PRO 152 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2by7 n PRO 152 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2by7 n ASP 153 N 0.25 0.00 -4.96 3.54 8.00 -1.26 -4.87 116.55 117.25 2by7 n ASP 153 Ca 0.21 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.48 2by7 n ASP 153 Cb 0.92 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.99 2by7 n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2by7 s VAL 154 N 0.00 5.27 0.21 2.53 -7.23 -1.26 -1.23 120.40 118.69 2by7 s VAL 154 Ca 0.00 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 2by7 s VAL 154 Cb 0.00 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.02 2by7 s VAL 154 CO 0.00 -0.28 1.28 -0.22 -0.31 0.00 0.00 175.10 175.57 2by7 s LEU 155 N -3.82 4.43 0.12 1.32 2.96 -1.24 -4.82 118.68 117.64 2by7 s LEU 155 Ca 0.34 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 56.69 2by7 s LEU 155 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2by7 s LEU 155 CO 0.29 -0.48 0.04 -0.54 -1.32 0.00 0.00 176.35 174.34 2by7 s LYS 156 N -0.34 2.66 0.08 1.98 -0.14 -0.77 -1.94 119.74 121.27 2by7 s LYS 156 Ca 0.55 -0.87 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 2by7 s LYS 156 Cb -0.36 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 2by7 s LYS 156 CO 0.39 0.52 -0.13 0.00 -0.76 0.00 0.00 175.35 175.37 2by7 s LEU 158 N -1.87 0.30 -0.11 0.00 2.96 0.20 -0.57 118.68 119.59 2by7 s LEU 158 Ca -0.01 0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 54.15 2by7 s LEU 158 Cb -0.09 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 2by7 s LEU 158 CO 0.02 -0.19 0.52 -0.54 -1.32 0.00 0.00 176.35 174.84 2by7 s LYS 159 N 1.60 4.36 -0.06 1.98 1.02 -1.26 -0.69 119.74 126.69 2by7 s LYS 159 Ca -0.06 0.53 -0.20 0.00 0.02 0.00 0.00 55.97 56.27 2by7 s LYS 159 Cb -0.11 -3.44 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2by7 s LYS 159 CO -0.07 0.14 0.46 0.00 -0.92 0.00 0.00 175.35 174.95 2by7 s ALA 160 N 0.65 -1.17 0.27 5.17 0.00 -0.37 -4.96 121.76 121.36 2by7 s ALA 160 Ca 0.28 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2by7 s ALA 160 Cb -0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2by7 s ALA 160 CO 0.12 -0.29 0.61 -1.25 0.00 0.00 0.00 175.76 174.96 2by7 s PRO 161 N -0.96 3.84 0.27 0.00 0.04 -1.26 -0.63 135.00 136.29 2by7 s PRO 161 Ca -0.10 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.01 2by7 s PRO 161 Cb -0.03 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2by7 s PRO 161 CO 0.05 0.24 1.29 0.42 0.04 0.00 0.00 177.00 179.04 2by7 s ILE 162 N -1.93 3.02 0.24 0.56 1.01 -0.40 -1.38 121.20 122.32 2by7 s ILE 162 Ca 0.49 0.93 0.01 0.00 0.00 0.00 0.00 60.65 62.09 2by7 s ILE 162 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2by7 s ILE 162 CO 0.22 0.19 0.41 -0.76 0.00 0.00 0.00 174.94 174.99 2by7 s LEU 163 N -1.00 4.21 0.59 2.97 1.43 0.03 -0.57 118.68 126.34 2by7 s LEU 163 Ca 0.52 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 2by7 s LEU 163 Cb -0.37 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2by7 s LEU 163 CO 0.45 -0.10 1.31 -1.54 0.23 0.00 0.00 176.35 176.70 2by7 n SER 164 N -1.10 2.34 -0.28 2.29 3.41 -1.26 -4.58 113.62 114.44 2by7 n SER 164 Ca -0.06 0.91 0.05 0.00 -0.26 0.00 0.00 58.87 59.51 2by7 n SER 164 Cb 0.55 -1.56 0.19 0.00 -0.26 0.00 0.00 64.21 63.13 2by7 n SER 164 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2by7 h ASP 165 N 1.03 0.54 -0.61 4.04 3.58 -1.97 -0.78 116.42 122.25 2by7 h ASP 165 Ca -0.51 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 2by7 h ASP 165 Cb 1.32 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 2by7 h ASP 165 CO 0.55 0.27 0.29 0.77 -2.88 0.00 0.00 179.24 178.25 2by7 h SER 166 N 0.66 0.79 -0.20 2.28 4.64 -1.99 -0.13 113.55 119.60 2by7 h SER 166 Ca 0.42 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 2by7 h SER 166 Cb 0.50 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2by7 h SER 166 CO -0.31 0.70 -0.21 0.77 -0.87 0.00 0.00 176.83 176.91 2by7 h SER 167 N 0.83 0.64 -0.10 4.97 4.64 -1.81 -0.72 113.55 122.00 2by7 h SER 167 Ca 0.21 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2by7 h SER 167 Cb 0.12 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2by7 h SER 167 CO -0.03 0.85 0.03 0.00 -0.87 0.00 0.00 176.83 176.82 2by7 h LYS 169 N -0.02 0.62 -0.38 0.00 1.57 -0.95 -1.99 116.57 115.42 2by7 h LYS 169 Ca 0.03 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2by7 h LYS 169 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2by7 h LYS 169 CO -0.00 0.62 -0.14 0.77 -0.57 0.00 0.00 179.45 180.12 2by7 h SER 170 N 0.60 0.68 -0.05 0.86 0.02 -0.98 -2.39 113.55 112.28 2by7 h SER 170 Ca 0.13 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2by7 h SER 170 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2by7 h SER 170 CO 0.01 0.84 -0.28 0.00 -1.14 0.00 0.00 176.83 176.26 2by7 h ALA 171 N 1.22 1.06 -2.14 3.77 0.00 -0.78 -3.37 119.26 119.02 2by7 h ALA 171 Ca 0.10 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 54.07 2by7 h ALA 171 Cb 0.60 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.87 2by7 h ALA 171 CO 0.04 0.57 -0.90 0.66 0.00 0.00 0.00 179.25 179.62 2by7 n TYR 172 N -4.10 1.13 -1.66 0.00 4.01 -0.79 -4.90 117.16 110.84 2by7 n TYR 172 Ca -0.01 -3.78 -0.46 0.00 -0.16 0.00 0.00 57.90 53.50 2by7 n TYR 172 Cb 0.42 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2by7 n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2by7 n PRO 173 N 1.34 1.92 -0.96 -0.72 -0.02 -0.92 -2.15 135.00 133.49 2by7 n PRO 173 Ca 0.25 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2by7 n PRO 173 Cb 0.48 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2by7 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2by7 n GLY 174 N 2.33 0.58 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.76 2by7 n GLY 174 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2by7 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by7 n GLN 175 N -2.18 2.79 -3.43 1.61 6.02 -0.91 -5.01 117.38 116.27 2by7 n GLN 175 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2by7 n GLN 175 Cb 0.05 -0.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 2by7 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2by7 s ILE 176 N -1.33 5.20 0.59 5.09 -1.09 -1.25 -5.02 121.20 123.39 2by7 s ILE 176 Ca 0.00 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 2by7 s ILE 176 Cb 0.00 -3.71 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 2by7 s ILE 176 CO 0.00 0.09 0.82 0.42 -1.23 0.00 0.00 174.94 175.04 2by7 s THR 177 N 1.99 2.44 -1.29 2.92 -4.23 -1.26 -4.98 115.64 111.23 2by7 s THR 177 Ca 0.12 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.98 2by7 s THR 177 Cb -0.16 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.14 2by7 s THR 177 CO 0.11 0.00 1.25 -1.54 -0.54 0.00 0.00 174.62 173.90 2by7 n SER 178 N -2.41 0.00 -1.55 3.99 3.41 -1.26 -2.08 113.62 113.72 2by7 n SER 178 Ca 0.12 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 2by7 n SER 178 Cb 0.60 -0.36 0.35 0.00 -0.26 0.00 0.00 64.21 64.55 2by7 n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2by7 n ASN 179 N -1.36 4.94 -4.07 4.04 3.02 -1.26 -4.93 115.26 115.65 2by7 n ASN 179 Ca 0.04 -2.74 -0.14 0.00 -0.03 0.00 0.00 54.58 51.71 2by7 n ASN 179 Cb 0.09 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.54 2by7 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2by7 s MET 180 N -2.38 0.57 0.05 3.52 -1.94 -0.88 -1.14 119.30 117.10 2by7 s MET 180 Ca 0.50 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2by7 s MET 180 Cb 0.36 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.79 2by7 s MET 180 CO 0.18 0.07 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.64 2by7 s PHE 181 N -1.31 0.49 0.03 -0.03 -0.12 -0.35 -4.78 117.98 111.90 2by7 s PHE 181 Ca -0.08 -1.00 -0.02 0.00 -0.05 0.00 0.00 56.93 55.78 2by7 s PHE 181 Cb -0.10 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2by7 s PHE 181 CO 0.01 -0.35 0.21 0.00 -0.05 0.00 0.00 175.22 175.03 2by7 s ALA 183 N -1.41 -0.34 0.00 0.00 0.00 -0.70 -0.79 121.76 118.52 2by7 s ALA 183 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2by7 s ALA 183 Cb -0.13 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2by7 s ALA 183 CO 0.22 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2by7 n GLY 183 N 0.88 0.13 2.71 0.00 0.00 -0.48 -2.68 105.19 105.76 2by7 n GLY 183 Ca -0.20 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 2by7 n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2by7 s TYR 184 N -1.09 0.00 0.41 1.61 2.02 -1.26 -4.33 117.35 114.71 2by7 s TYR 184 Ca 0.00 0.22 0.34 0.00 -0.37 0.00 0.00 57.07 57.26 2by7 s TYR 184 Cb 0.00 -0.46 1.70 0.00 -0.40 0.00 0.00 41.96 42.80 2by7 s TYR 184 CO 0.00 -0.32 2.13 -0.07 -1.57 0.00 0.00 175.55 175.73 2by7 h LEU 185 N 8.41 0.00 0.42 -1.29 3.38 -1.95 -3.44 115.31 120.84 2by7 h LEU 185 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2by7 h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2by7 h LEU 185 CO 0.19 0.06 -0.20 1.05 0.09 0.00 0.00 178.44 179.62 2by7 h GLU 186 N 0.00 -0.55 0.00 1.13 9.09 -1.95 0.20 114.58 122.49 2by7 h GLU 186 Ca -0.00 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.45 2by7 h GLU 186 Cb 0.29 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 2by7 h GLU 186 CO 0.01 -0.37 0.00 0.41 0.05 0.00 0.00 179.01 179.11 2by7 n GLY 187 N 0.17 2.28 2.70 1.06 0.00 -0.13 -4.47 105.19 106.80 2by7 n GLY 187 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2by7 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2by7 s LYS 188 N -0.46 0.22 0.05 1.61 1.02 -1.26 -3.59 119.74 117.33 2by7 s LYS 188 Ca 0.00 0.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.89 2by7 s LYS 188 Cb 0.00 -0.93 0.09 0.00 -0.52 0.00 0.00 37.83 36.48 2by7 s LYS 188 CO 0.00 -0.38 1.09 0.34 -0.92 0.00 0.00 175.35 175.48 2by7 s ASP 189 N 2.08 -0.15 0.85 2.83 2.15 -0.51 -4.31 116.67 119.60 2by7 s ASP 189 Ca 0.04 -0.23 -0.12 0.00 0.43 0.00 0.00 52.55 52.66 2by7 s ASP 189 Cb -0.13 0.34 0.12 0.00 -0.30 0.00 0.00 42.92 42.94 2by7 s ASP 189 CO -0.05 -0.61 1.20 -0.94 -0.17 0.00 0.00 175.17 174.61 2by7 s SER 190 N -2.84 4.08 0.35 -0.34 1.04 -1.26 -0.33 113.70 114.40 2by7 s SER 190 Ca 0.12 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.00 2by7 s SER 190 Cb 0.01 -0.91 0.04 0.00 0.10 0.00 0.00 66.02 65.26 2by7 s SER 190 CO -0.02 -2.14 0.65 0.00 0.98 0.00 0.00 173.24 172.71 2by7 n GLN 192 N -0.50 1.30 0.00 0.00 3.00 -1.26 -0.89 117.38 119.03 2by7 n GLN 192 Ca -0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2by7 n GLN 192 Cb 0.55 -2.01 0.00 0.00 0.00 0.00 0.00 30.24 28.77 2by7 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2by7 n GLY 193 N 2.15 2.48 0.13 1.08 0.00 -1.26 -0.66 105.19 109.11 2by7 n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2by7 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2by7 h ASP 194 N 0.00 0.00 -1.08 1.61 3.32 -1.33 -3.31 116.42 115.64 2by7 h ASP 194 Ca 0.00 -0.06 -0.74 0.00 0.02 0.00 0.00 57.03 56.25 2by7 h ASP 194 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 2by7 h ASP 194 CO 0.00 0.03 -0.13 -1.20 -1.72 0.00 0.00 179.24 176.22 2by7 n SER 195 N -2.56 -0.33 0.00 6.45 7.64 -1.25 -1.39 113.62 122.19 2by7 n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2by7 n SER 195 Cb 0.49 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2by7 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2by7 n GLY 196 N 1.72 2.56 3.94 0.23 0.00 0.02 -0.40 105.19 113.26 2by7 n GLY 196 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2by7 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2by7 s GLY 197 N -1.97 1.78 0.33 -0.02 0.00 -0.48 -3.33 107.32 103.63 2by7 s GLY 197 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.24 2by7 s GLY 197 CO 0.00 -0.57 0.77 2.56 0.00 0.00 0.00 173.10 175.85 2by7 s PRO 198 N -5.78 4.06 -0.25 2.90 0.04 -1.26 -0.92 135.00 133.79 2by7 s PRO 198 Ca 0.73 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2by7 s PRO 198 Cb -0.04 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.12 2by7 s PRO 198 CO 0.52 0.15 -0.10 0.08 0.04 0.00 0.00 177.00 177.69 2by7 s VAL 199 N -1.97 2.03 -0.11 -0.36 1.01 -0.21 -3.24 120.40 117.56 2by7 s VAL 199 Ca 0.54 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2by7 s VAL 199 Cb -0.11 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2by7 s VAL 199 CO 0.17 -0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.41 2by7 s VAL 200 N 1.17 2.95 -0.08 2.92 1.01 -0.47 -1.11 120.40 126.78 2by7 s VAL 200 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2by7 s VAL 200 Cb -0.20 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.00 2by7 s VAL 200 CO -0.05 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 2by7 n SER 202 N 4.84 -4.34 0.00 0.00 7.64 -1.26 -1.50 113.62 118.99 2by7 n SER 202 Ca -0.12 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2by7 n SER 202 Cb 0.50 -3.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 2by7 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2by7 n GLY 203 N -1.56 0.48 3.28 0.23 0.00 -1.26 -5.03 105.19 101.33 2by7 n GLY 203 Ca 0.05 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2by7 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2by7 s LYS 204 N -0.50 1.55 -0.68 1.61 -0.14 -0.56 -4.08 119.74 116.94 2by7 s LYS 204 Ca 0.00 -0.98 -0.27 0.00 -1.36 0.00 0.00 55.97 53.36 2by7 s LYS 204 Cb 0.00 -1.67 0.04 0.00 -1.68 0.00 0.00 37.83 34.52 2by7 s LYS 204 CO 0.00 0.43 1.20 -1.17 -0.76 0.00 0.00 175.35 175.05 2by7 s LEU 209 N -1.15 3.44 -0.08 3.17 2.96 -0.08 -1.03 118.68 125.91 2by7 s LEU 209 Ca 0.09 -0.38 0.21 0.00 -0.22 0.00 0.00 54.13 53.83 2by7 s LEU 209 Cb -0.09 -2.70 -0.31 0.00 0.50 0.00 0.00 46.19 43.59 2by7 s LEU 209 CO 0.02 -1.67 0.37 0.00 -1.32 0.00 0.00 176.35 173.75 2by7 n GLN 210 N 8.83 0.67 -4.04 1.98 1.13 -0.27 -4.15 117.38 121.52 2by7 n GLN 210 Ca 0.03 -0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 54.88 2by7 n GLN 210 Cb 0.48 -1.53 -0.09 0.00 0.11 0.00 0.00 30.24 29.21 2by7 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2by7 s GLY 211 N -4.81 0.52 -0.08 1.08 0.00 -0.75 -1.65 107.32 101.63 2by7 s GLY 211 Ca -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2by7 s GLY 211 CO 0.88 -1.17 -0.17 -0.42 0.00 0.00 0.00 173.10 172.22 2by7 s ILE 212 N -3.94 1.52 -0.07 0.90 1.01 -1.06 -1.04 121.20 118.51 2by7 s ILE 212 Ca 0.12 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.75 2by7 s ILE 212 Cb 0.07 -1.35 -0.10 0.00 0.01 0.00 0.00 42.46 41.09 2by7 s ILE 212 CO -0.06 0.44 1.99 0.52 0.00 0.00 0.00 174.94 177.82 2by7 n VAL 213 N 3.70 0.60 0.02 2.92 0.31 -0.10 -1.36 118.33 124.43 2by7 n VAL 213 Ca -0.21 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 2by7 n VAL 213 Cb 0.52 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2by7 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2by7 n SER 214 N 7.89 0.58 -3.45 4.52 2.88 -0.97 -0.80 113.62 124.28 2by7 n SER 214 Ca 0.24 0.08 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 2by7 n SER 214 Cb 0.36 -0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2by7 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2by7 s TRP 215 N -1.53 -0.05 0.00 0.66 1.48 -0.67 -4.93 118.94 113.90 2by7 s TRP 215 Ca -0.02 -0.49 0.00 0.00 -1.06 0.00 0.00 56.10 54.54 2by7 s TRP 215 Cb 0.00 0.76 0.00 0.00 -1.16 0.00 0.00 33.47 33.07 2by7 s TRP 215 CO 0.03 -1.33 0.00 0.41 -4.06 0.00 0.00 176.95 172.00 2by7 n GLY 216 N -0.50 0.53 3.50 3.67 0.00 -1.26 -0.57 105.19 110.56 2by7 n GLY 216 Ca -0.06 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2by7 n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2by7 s SER 217 N 0.00 6.32 0.87 1.61 0.15 -1.26 -4.87 113.70 116.52 2by7 s SER 217 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2by7 s SER 217 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2by7 s SER 217 CO 0.00 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.11 2by7 n GLY 219 N 5.08 0.79 2.84 9.45 0.00 -1.26 -4.59 105.19 117.49 2by7 n GLY 219 Ca -0.01 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 2by7 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by7 n ALA 220 N 3.84 -0.42 -2.20 0.00 0.00 -1.26 -4.60 120.51 115.86 2by7 n ALA 220 Ca -0.23 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2by7 n ALA 220 Cb 0.53 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 2by7 n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2by7 s GLN 221 N -4.41 4.01 0.26 0.00 -1.52 -1.26 -0.95 119.66 115.78 2by7 s GLN 221 Ca 0.00 0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 53.72 2by7 s GLN 221 Cb 0.00 -2.60 -0.13 0.00 -0.22 0.00 0.00 33.01 30.06 2by7 s GLN 221 CO 0.00 0.26 1.49 1.17 -0.25 0.00 0.00 175.29 177.96 2by7 n LYS 222 N -0.01 2.30 -1.32 2.91 4.81 -1.26 -2.10 118.16 123.49 2by7 n LYS 222 Ca 0.01 0.82 -0.11 0.00 -0.87 0.00 0.00 58.31 58.16 2by7 n LYS 222 Cb 0.52 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.00 2by7 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2by7 n ASN 223 N 2.21 -5.06 -3.33 3.14 5.03 0.69 -4.91 115.26 113.04 2by7 n ASN 223 Ca 0.11 0.27 -0.26 0.00 0.87 0.00 0.00 54.58 55.57 2by7 n ASN 223 Cb 0.33 -3.52 -0.08 0.00 -1.02 0.00 0.00 39.78 35.49 2by7 n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2by7 n LYS 224 N -1.70 1.06 -1.22 3.52 4.76 -0.89 -4.73 118.16 118.95 2by7 n LYS 224 Ca -0.11 -3.60 -0.29 0.00 -2.87 0.00 0.00 58.31 51.44 2by7 n LYS 224 Cb 0.48 -1.60 0.18 0.00 -1.84 0.00 0.00 35.03 32.26 2by7 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2by7 s PRO 225 N -1.22 0.26 0.46 1.97 0.04 -1.26 -4.30 135.00 130.94 2by7 s PRO 225 Ca 0.35 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.53 2by7 s PRO 225 Cb 0.12 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.86 2by7 s PRO 225 CO -0.11 -2.82 1.19 0.20 0.04 0.00 0.00 177.00 175.50 2by7 s GLY 226 N -3.62 2.80 -0.09 0.56 0.00 -1.09 -4.66 107.32 101.22 2by7 s GLY 226 Ca 0.66 0.99 0.02 0.00 0.00 0.00 0.00 44.72 46.39 2by7 s GLY 226 CO 0.57 1.46 -0.15 0.14 0.00 0.00 0.00 173.10 175.11 2by7 s VAL 227 N -1.50 2.90 0.00 1.40 1.01 0.26 -1.73 120.40 122.75 2by7 s VAL 227 Ca 0.63 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2by7 s VAL 227 Cb -0.30 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2by7 s VAL 227 CO 0.37 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.59 2by7 s TYR 228 N -0.13 1.10 0.21 5.22 2.02 0.36 -1.67 117.35 124.45 2by7 s TYR 228 Ca -0.02 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 2by7 s TYR 228 Cb -0.14 -0.69 -0.09 0.00 -0.40 0.00 0.00 41.96 40.64 2by7 s TYR 228 CO 0.04 -0.01 1.40 0.99 -1.57 0.00 0.00 175.55 176.40 2by7 s THR 229 N -0.43 2.93 -0.94 -0.71 2.01 -0.46 -1.21 115.64 116.83 2by7 s THR 229 Ca 0.04 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 62.59 2by7 s THR 229 Cb -0.05 -3.48 0.12 0.00 0.01 0.00 0.00 72.50 69.10 2by7 s THR 229 CO -0.00 0.10 1.16 -0.75 -0.69 0.00 0.00 174.62 174.44 2by7 s LYS 230 N 0.02 3.60 0.40 4.92 2.20 -0.29 -2.55 119.74 128.04 2by7 s LYS 230 Ca 0.60 -1.69 0.10 0.00 -0.36 0.00 0.00 55.97 54.61 2by7 s LYS 230 Cb -0.39 -4.96 0.89 0.00 -1.51 0.00 0.00 37.83 31.86 2by7 s LYS 230 CO 0.39 -1.82 1.99 0.28 -0.36 0.00 0.00 175.35 175.83 2by7 h VAL 231 N 5.94 0.99 -0.25 4.02 2.07 -1.61 -2.00 116.25 125.41 2by7 h VAL 231 Ca 0.16 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2by7 h VAL 231 Cb 1.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2by7 h VAL 231 CO 1.14 0.10 0.24 0.00 0.02 0.00 0.00 177.57 179.07 2by7 n ASN 233 N -3.95 0.36 -0.30 0.00 3.02 -0.75 -3.56 115.26 110.08 2by7 n ASN 233 Ca 0.03 0.58 0.03 0.00 -0.03 0.00 0.00 54.58 55.19 2by7 n ASN 233 Cb 0.38 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 2by7 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2by7 n TYR 234 N -1.88 0.05 -0.31 3.10 4.01 0.18 -4.70 117.16 117.61 2by7 n TYR 234 Ca 0.03 -0.09 -0.04 0.00 -0.16 0.00 0.00 57.90 57.65 2by7 n TYR 234 Cb 0.24 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.34 2by7 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2by7 h VAL 235 N 1.34 1.22 -0.53 -0.72 2.07 -1.60 0.58 116.25 118.61 2by7 h VAL 235 Ca 0.00 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2by7 h VAL 235 Cb 0.35 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2by7 h VAL 235 CO 0.00 0.21 0.07 0.28 0.02 0.00 0.00 177.57 178.15 2by7 h SER 236 N 1.13 0.86 -0.54 0.57 0.02 -1.87 -0.70 113.55 113.03 2by7 h SER 236 Ca 0.31 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2by7 h SER 236 Cb -0.13 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 2by7 h SER 236 CO -0.07 0.91 0.27 -0.25 -1.14 0.00 0.00 176.83 176.55 2by7 h TRP 237 N 0.77 0.77 -0.14 3.45 7.01 -1.75 -0.92 115.95 125.14 2by7 h TRP 237 Ca 0.16 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2by7 h TRP 237 Cb 0.43 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2by7 h TRP 237 CO 0.03 0.59 0.07 0.82 -2.79 0.00 0.00 178.44 177.16 2by7 h ILE 238 N 0.72 1.11 -0.43 2.65 2.04 -0.63 -0.05 117.51 122.92 2by7 h ILE 238 Ca 0.19 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2by7 h ILE 238 Cb 0.10 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2by7 h ILE 238 CO -0.03 0.10 0.19 0.11 0.00 0.00 0.00 178.15 178.52 2by7 h LYS 239 N 0.11 0.62 -0.25 2.37 1.57 -1.03 -0.97 116.57 118.99 2by7 h LYS 239 Ca 0.05 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2by7 h LYS 239 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2by7 h LYS 239 CO -0.01 0.56 -0.35 -0.56 -0.57 0.00 0.00 179.45 178.52 2by7 h GLN 240 N 0.55 0.54 -0.39 3.15 -0.00 -1.05 -1.55 115.11 116.36 2by7 h GLN 240 Ca 0.14 -0.25 -0.07 0.00 -0.00 0.00 0.00 58.65 58.48 2by7 h GLN 240 Cb 0.15 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.61 2by7 h GLN 240 CO -0.02 0.82 -0.01 1.15 -0.00 0.00 0.00 178.83 180.77 2by7 h THR 241 N 0.46 1.26 -0.76 1.86 2.02 -0.75 -2.68 112.91 114.32 2by7 h THR 241 Ca 0.05 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 2by7 h THR 241 Cb 0.82 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2by7 h THR 241 CO 0.07 0.35 0.35 0.40 0.37 0.00 0.00 175.52 177.06 2by7 h ILE 242 N 0.53 1.24 0.00 3.11 2.04 -1.04 -2.23 117.51 121.16 2by7 h ILE 242 Ca 0.11 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2by7 h ILE 242 Cb 0.49 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2by7 h ILE 242 CO 0.02 0.29 -0.07 0.00 0.00 0.00 0.00 178.15 178.40 2by7 h ALA 243 N 1.31 1.16 -0.04 1.87 0.00 -0.95 -2.99 119.26 119.61 2by7 h ALA 243 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2by7 h ALA 243 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2by7 h ALA 243 CO -0.03 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.73 2by7 n SER 244 N -3.40 2.15 0.00 0.00 7.64 -0.97 -5.10 113.62 113.95 2by7 n SER 244 Ca -0.02 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.80 2by7 n SER 244 Cb 0.22 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2by7 n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62