#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2k s VAL 17 N 0.00 3.41 -1.37 1.39 1.01 -0.21 -4.00 120.40 120.64 1c2k s VAL 17 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1c2k s VAL 17 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1c2k s VAL 17 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1c2k n GLY 18 N 1.44 1.28 0.00 4.51 0.00 -1.24 -1.82 105.19 109.36 1c2k n GLY 18 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1c2k n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2k n GLY 19 N -0.39 1.61 3.48 -0.02 0.00 -1.26 -4.82 105.19 103.80 1c2k n GLY 19 Ca -0.13 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 1c2k n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c2k s TYR 20 N 1.03 1.80 -0.24 1.61 -0.85 0.10 -4.87 117.35 115.94 1c2k s TYR 20 Ca 0.00 -1.21 -0.28 0.00 -0.52 0.00 0.00 57.07 55.06 1c2k s TYR 20 Cb 0.00 -1.16 0.01 0.00 0.38 0.00 0.00 41.96 41.19 1c2k s TYR 20 CO 0.00 -0.24 0.97 0.99 -1.52 0.00 0.00 175.55 175.75 1c2k s THR 21 N -3.28 4.72 0.07 -3.49 2.01 -1.26 0.06 115.64 114.48 1c2k s THR 21 Ca 0.28 1.87 -0.37 0.00 0.31 0.00 0.00 61.69 63.77 1c2k s THR 21 Cb 0.04 -4.25 -0.20 0.00 0.01 0.00 0.00 72.50 68.10 1c2k s THR 21 CO 0.15 -0.16 1.57 0.00 -0.69 0.00 0.00 174.62 175.48 1c2k n GLY 23 N -1.64 0.71 3.75 0.00 0.00 -1.26 -4.89 105.19 101.85 1c2k n GLY 23 Ca -0.15 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 1c2k n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2k s ALA 24 N -1.35 3.38 -0.61 4.61 0.00 -1.26 -4.16 121.76 122.37 1c2k s ALA 24 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 1c2k s ALA 24 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1c2k s ALA 24 CO 0.00 -0.07 0.16 0.09 0.00 0.00 0.00 175.76 175.94 1c2k n ASN 25 N 1.49 -0.74 -0.04 0.00 3.02 -1.26 -4.83 115.26 112.90 1c2k n ASN 25 Ca -0.01 -0.57 0.03 0.00 -0.03 0.00 0.00 54.58 54.00 1c2k n ASN 25 Cb 0.46 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 1c2k n ASN 25 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1c2k n THR 26 N -2.69 0.46 -3.40 3.41 5.66 -1.26 -4.45 114.28 112.02 1c2k n THR 26 Ca -0.09 -0.57 -0.27 0.00 -3.05 0.00 0.00 64.05 60.06 1c2k n THR 26 Cb 0.28 -0.16 -0.08 0.00 -1.55 0.00 0.00 70.33 68.82 1c2k n THR 26 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1c2k n VAL 27 N -2.37 2.06 0.87 1.08 3.14 -1.26 -4.93 118.33 116.91 1c2k n VAL 27 Ca -0.13 -5.10 0.09 0.00 -2.96 0.00 0.00 64.34 56.24 1c2k n VAL 27 Cb 0.73 -2.09 0.46 0.00 -1.06 0.00 0.00 33.84 31.89 1c2k n VAL 27 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1c2k n PRO 28 N 0.91 0.26 -0.02 1.45 -0.04 -1.26 -1.94 135.00 134.36 1c2k n PRO 28 Ca 0.29 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1c2k n PRO 28 Cb 0.42 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 1c2k n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1c2k n TYR 29 N -1.29 0.05 -2.55 0.54 0.18 -1.23 -1.85 117.16 111.01 1c2k n TYR 29 Ca 0.09 -0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.44 1c2k n TYR 29 Cb 0.15 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 1c2k n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1c2k s GLN 30 N -1.95 4.67 0.14 -3.48 2.00 -0.82 -0.80 119.66 119.42 1c2k s GLN 30 Ca 0.32 1.69 0.07 0.00 -2.00 0.00 0.00 55.36 55.44 1c2k s GLN 30 Cb 0.20 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 1c2k s GLN 30 CO 0.31 0.22 -0.17 0.14 -0.50 0.00 0.00 175.29 175.29 1c2k s VAL 31 N -0.75 1.60 -0.06 1.34 -7.23 -0.81 -4.39 120.40 110.10 1c2k s VAL 31 Ca 0.46 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.88 1c2k s VAL 31 Cb -0.29 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1c2k s VAL 31 CO 0.36 -0.33 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.08 1c2k s SER 32 N -2.49 3.56 -0.23 4.85 0.15 -0.66 -1.99 113.70 116.88 1c2k s SER 32 Ca 0.12 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.32 1c2k s SER 32 Cb -0.06 -0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1c2k s SER 32 CO 0.05 0.28 0.12 -0.76 1.20 0.00 0.00 173.24 174.14 1c2k s LEU 33 N -0.38 3.92 -0.07 3.45 1.43 0.48 -1.73 118.68 125.78 1c2k s LEU 33 Ca 0.03 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1c2k s LEU 33 Cb -0.12 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1c2k s LEU 33 CO 0.02 0.07 -0.20 0.21 0.23 0.00 0.00 176.35 176.68 1c2k s ASN 34 N 1.04 2.57 -0.34 2.29 3.84 0.40 -1.16 114.94 123.57 1c2k s ASN 34 Ca 0.06 -0.44 0.15 0.00 0.21 0.00 0.00 52.86 52.84 1c2k s ASN 34 Cb -0.14 -0.95 0.45 0.00 -0.55 0.00 0.00 41.25 40.07 1c2k s ASN 34 CO 0.04 0.15 0.99 -1.54 -2.79 0.00 0.00 177.10 173.95 1c2k n SER 37 N 3.35 2.21 0.00 -4.21 3.41 -1.26 -1.42 113.62 115.69 1c2k n SER 37 Ca -0.19 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1c2k n SER 37 Cb 0.53 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1c2k n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2k n GLY 38 N -0.18 2.39 3.71 5.00 0.00 -1.26 -4.98 105.19 109.87 1c2k n GLY 38 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1c2k n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c2k s TYR 39 N -2.31 0.07 -0.07 1.61 1.13 -1.26 -5.13 117.35 111.39 1c2k s TYR 39 Ca 0.00 -0.47 -0.28 0.00 -1.41 0.00 0.00 57.07 54.91 1c2k s TYR 39 Cb 0.00 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.28 1c2k s TYR 39 CO 0.00 -1.10 0.93 -1.58 -2.51 0.00 0.00 175.55 171.29 1c2k s HIS 40 N -3.96 3.57 0.00 -3.49 5.65 -1.26 -4.20 115.29 111.60 1c2k s HIS 40 Ca 0.16 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.01 1c2k s HIS 40 Cb -0.03 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.28 1c2k s HIS 40 CO 0.07 -0.10 0.00 1.97 -0.65 0.00 0.00 174.74 176.03 1c2k n PHE 41 N 4.42 0.00 -3.92 3.88 1.16 -0.31 -4.97 117.46 117.72 1c2k n PHE 41 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 1c2k n PHE 41 Cb 0.50 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.34 1c2k n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1c2k s GLY 43 N -3.00 2.36 0.22 0.00 0.00 0.08 -0.38 107.32 106.60 1c2k s GLY 43 Ca 0.17 -1.45 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 1c2k s GLY 43 CO 0.09 -1.91 0.97 -0.32 0.00 0.00 0.00 173.10 171.93 1c2k s GLY 44 N -4.18 0.09 -0.04 0.20 0.00 -0.84 -3.72 107.32 98.82 1c2k s GLY 44 Ca 0.36 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.78 1c2k s GLY 44 CO 0.22 1.33 -0.08 -0.56 0.00 0.00 0.00 173.10 174.00 1c2k s SER 45 N -3.23 1.20 -0.06 1.64 0.01 -0.40 -1.92 113.70 110.94 1c2k s SER 45 Ca 0.18 -0.19 -0.26 0.00 1.31 0.00 0.00 55.95 56.99 1c2k s SER 45 Cb -0.03 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1c2k s SER 45 CO 0.06 0.03 0.83 -0.22 0.41 0.00 0.00 173.24 174.35 1c2k s LEU 46 N 0.43 4.31 -0.00 2.44 2.96 0.02 -1.31 118.68 127.54 1c2k s LEU 46 Ca -0.07 1.37 0.13 0.00 -0.22 0.00 0.00 54.13 55.34 1c2k s LEU 46 Cb -0.11 -3.30 -0.15 0.00 0.50 0.00 0.00 46.19 43.13 1c2k s LEU 46 CO 0.01 -0.22 0.53 2.30 -1.32 0.00 0.00 176.35 177.64 1c2k n ILE 47 N 3.99 0.00 -3.61 6.68 -5.35 -0.48 -1.35 119.36 119.25 1c2k n ILE 47 Ca 0.03 -0.20 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1c2k n ILE 47 Cb 0.51 0.93 -0.01 0.00 -1.74 0.00 0.00 39.64 39.32 1c2k n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1c2k s ASN 48 N -2.34 -0.08 0.51 7.28 6.03 -1.23 -4.60 114.94 120.50 1c2k s ASN 48 Ca 0.04 -0.06 0.39 0.00 -1.03 0.00 0.00 52.86 52.20 1c2k s ASN 48 Cb 0.10 0.12 1.56 0.00 -3.03 0.00 0.00 41.25 40.00 1c2k s ASN 48 CO 0.54 -0.22 1.66 0.77 -2.03 0.00 0.00 177.10 177.81 1c2k h SER 49 N 2.00 0.11 -0.01 3.54 4.64 -1.96 -2.57 113.55 119.30 1c2k h SER 49 Ca -0.20 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1c2k h SER 49 Cb 1.18 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1c2k h SER 49 CO 0.25 -0.06 -0.20 0.00 -0.87 0.00 0.00 176.83 175.96 1c2k n GLN 50 N -4.28 1.91 -4.32 4.77 6.02 -1.26 -1.78 117.38 118.43 1c2k n GLN 50 Ca 0.37 -0.67 -0.21 0.00 -0.01 0.00 0.00 57.00 56.48 1c2k n GLN 50 Cb 1.58 -1.10 -0.13 0.00 1.02 0.00 0.00 30.24 31.61 1c2k n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1c2k s TRP 51 N -1.34 1.42 -0.00 1.08 0.52 -0.97 -0.40 118.94 119.24 1c2k s TRP 51 Ca 0.09 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1c2k s TRP 51 Cb 0.08 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.57 1c2k s TRP 51 CO 0.25 0.09 -0.15 0.08 0.02 0.00 0.00 176.95 177.23 1c2k s VAL 52 N -1.04 1.22 -0.05 4.03 1.01 0.19 -1.38 120.40 124.38 1c2k s VAL 52 Ca 0.02 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1c2k s VAL 52 Cb -0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1c2k s VAL 52 CO 0.02 0.30 -0.13 0.68 0.00 0.00 0.00 175.10 175.97 1c2k s VAL 53 N -0.44 3.22 0.00 2.92 -7.23 -0.43 -0.71 120.40 117.74 1c2k s VAL 53 Ca 0.05 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1c2k s VAL 53 Cb -0.06 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1c2k s VAL 53 CO -0.00 0.59 0.00 -0.24 -0.31 0.00 0.00 175.10 175.14 1c2k n SER 54 N 2.27 0.00 -4.88 4.85 2.88 -0.69 -1.28 113.62 116.78 1c2k n SER 54 Ca -0.17 -0.66 -0.34 0.00 -1.33 0.00 0.00 58.87 56.37 1c2k n SER 54 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1c2k n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c2k s ALA 55 N -1.61 3.76 0.29 -1.46 0.00 -1.26 -1.69 121.76 119.79 1c2k s ALA 55 Ca 0.00 -0.45 0.34 0.00 0.00 0.00 0.00 51.96 51.85 1c2k s ALA 55 Cb 0.00 -2.21 1.57 0.00 0.00 0.00 0.00 23.12 22.49 1c2k s ALA 55 CO 0.00 0.60 2.07 0.00 0.00 0.00 0.00 175.76 178.44 1c2k h ALA 56 N 3.49 1.06 -0.11 0.00 0.00 -1.70 -1.74 119.26 120.26 1c2k h ALA 56 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1c2k h ALA 56 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1c2k h ALA 56 CO 0.68 0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.60 1c2k n HIS 57 N -3.23 0.15 0.74 0.00 1.44 -1.26 -2.32 115.22 110.73 1c2k n HIS 57 Ca -0.01 -0.07 0.10 0.00 -2.01 0.00 0.00 57.72 55.73 1c2k n HIS 57 Cb 0.25 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.46 1c2k n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1c2k s TYR 59 N -1.59 2.78 0.13 0.00 6.14 -0.98 -4.95 117.35 118.88 1c2k s TYR 59 Ca 0.24 0.93 -0.20 0.00 0.64 0.00 0.00 57.07 58.67 1c2k s TYR 59 Cb 0.17 -4.00 0.06 0.00 0.42 0.00 0.00 41.96 38.60 1c2k s TYR 59 CO 0.25 -3.24 0.52 0.15 0.64 0.00 0.00 175.55 173.86 1c2k s LYS 60 N -0.86 1.17 0.16 4.97 1.02 -1.26 -5.14 119.74 119.80 1c2k s LYS 60 Ca 0.60 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1c2k s LYS 60 Cb -0.46 0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1c2k s LYS 60 CO 0.50 -0.49 0.26 0.45 -0.92 0.00 0.00 175.35 175.16 1c2k s SER 61 N -2.67 6.20 -0.53 2.83 0.15 -1.26 -4.52 113.70 113.90 1c2k s SER 61 Ca 0.01 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1c2k s SER 61 Cb 0.00 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1c2k s SER 61 CO -0.11 0.05 0.45 0.61 1.20 0.00 0.00 173.24 175.43 1c2k n GLY 62 N -0.56 0.14 3.82 9.45 0.00 -1.26 -5.02 105.19 111.75 1c2k n GLY 62 Ca -0.07 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1c2k n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c2k s ILE 63 N -3.15 4.82 -0.04 -0.61 1.01 -1.26 -4.62 121.20 117.35 1c2k s ILE 63 Ca 0.05 1.10 0.06 0.00 0.00 0.00 0.00 60.65 61.86 1c2k s ILE 63 Cb -0.02 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1c2k s ILE 63 CO 0.32 0.55 -0.23 -1.58 0.00 0.00 0.00 174.94 173.99 1c2k s GLN 64 N -1.13 2.20 -0.13 2.79 0.74 -0.51 -1.93 119.66 121.68 1c2k s GLN 64 Ca 0.28 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.80 1c2k s GLN 64 Cb -0.19 -1.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 1c2k s GLN 64 CO 0.17 0.42 0.01 0.08 -0.55 0.00 0.00 175.29 175.42 1c2k s VAL 65 N -0.29 4.33 -0.17 1.34 1.01 0.11 -0.45 120.40 126.27 1c2k s VAL 65 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1c2k s VAL 65 Cb -0.12 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1c2k s VAL 65 CO 0.02 0.53 -0.20 -0.13 0.00 0.00 0.00 175.10 175.32 1c2k s ARG 66 N -0.18 3.02 0.28 2.72 0.52 -0.71 0.00 118.95 124.61 1c2k s ARG 66 Ca 0.05 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 1c2k s ARG 66 Cb -0.12 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1c2k s ARG 66 CO 0.02 -0.13 0.10 -0.51 0.02 0.00 0.00 175.30 174.80 1c2k s LEU 67 N 1.10 3.42 -1.40 2.53 1.02 0.38 -1.66 118.68 124.08 1c2k s LEU 67 Ca 0.00 -0.53 -0.10 0.00 0.02 0.00 0.00 54.13 53.52 1c2k s LEU 67 Cb -0.14 -1.94 0.03 0.00 0.02 0.00 0.00 46.19 44.15 1c2k s LEU 67 CO -0.08 -0.08 1.13 0.61 0.02 0.00 0.00 176.35 177.95 1c2k n GLY 69 N -1.05 -0.54 3.88 -3.19 0.00 -1.26 -2.22 105.19 100.81 1c2k n GLY 69 Ca -0.06 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1c2k n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c2k s GLU 70 N -6.38 3.48 0.15 1.61 0.41 -1.26 -4.00 118.70 112.71 1c2k s GLU 70 Ca 0.60 -0.12 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 1c2k s GLU 70 Cb -0.27 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 1c2k s GLU 70 CO 0.75 0.75 0.00 -0.25 -0.49 0.00 0.00 175.26 176.02 1c2k n ASP 71 N 1.77 0.53 -4.50 -0.19 8.00 -1.26 -4.91 116.55 115.98 1c2k n ASP 71 Ca -0.18 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 1c2k n ASP 71 Cb 0.54 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 1c2k n ASP 71 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1c2k s ASN 72 N -5.46 5.91 0.00 -2.24 3.84 -1.25 -2.57 114.94 113.16 1c2k s ASN 72 Ca 0.00 -0.47 0.21 0.00 0.21 0.00 0.00 52.86 52.81 1c2k s ASN 72 Cb 0.00 -2.10 1.16 0.00 -0.55 0.00 0.00 41.25 39.76 1c2k s ASN 72 CO 0.00 -0.23 1.66 2.30 -2.79 0.00 0.00 177.10 178.04 1c2k n ILE 73 N 5.07 0.20 0.21 -5.21 -5.35 0.11 -2.84 119.36 111.55 1c2k n ILE 73 Ca -0.13 0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.46 1c2k n ILE 73 Cb 0.49 -0.71 0.09 0.00 -1.74 0.00 0.00 39.64 37.78 1c2k n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1c2k n ASN 74 N -1.16 2.37 -3.87 7.28 3.02 -1.26 -4.95 115.26 116.69 1c2k n ASN 74 Ca 0.13 -1.69 -0.21 0.00 -0.03 0.00 0.00 54.58 52.77 1c2k n ASN 74 Cb 0.12 -0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 39.03 1c2k n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c2k s VAL 75 N -0.98 0.57 -0.29 2.41 1.01 -1.13 -5.11 120.40 116.89 1c2k s VAL 75 Ca 0.18 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1c2k s VAL 75 Cb 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1c2k s VAL 75 CO 0.15 0.25 0.72 -0.69 0.00 0.00 0.00 175.10 175.54 1c2k s VAL 76 N 1.22 4.87 -0.41 2.92 1.01 -1.26 -4.63 120.40 124.12 1c2k s VAL 76 Ca -0.06 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1c2k s VAL 76 Cb -0.14 -4.06 0.56 0.00 0.00 0.00 0.00 36.38 32.74 1c2k s VAL 76 CO -0.02 -0.14 1.70 -0.62 0.00 0.00 0.00 175.10 176.03 1c2k n GLU 77 N 6.00 2.23 -0.94 2.72 1.02 -1.26 -4.92 120.64 125.49 1c2k n GLU 77 Ca 0.02 -3.21 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 1c2k n GLU 77 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1c2k n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c2k n GLY 78 N -1.08 0.04 0.58 0.62 0.00 -1.26 -4.77 105.19 99.32 1c2k n GLY 78 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.56 1c2k n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c2k n ASN 79 N -0.81 2.70 -4.98 1.61 4.13 -1.26 -5.03 115.26 111.61 1c2k n ASN 79 Ca 0.00 -1.89 -0.20 0.00 1.68 0.00 0.00 54.58 54.17 1c2k n ASN 79 Cb 0.41 -0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 1c2k n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1c2k s GLU 80 N -0.98 3.21 -0.09 3.52 8.01 -1.26 -4.46 118.70 126.66 1c2k s GLU 80 Ca 0.20 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.33 1c2k s GLU 80 Cb 0.11 -2.80 0.02 0.00 -4.31 0.00 0.00 34.13 27.15 1c2k s GLU 80 CO 0.15 0.12 -0.08 -0.65 0.01 0.00 0.00 175.26 174.81 1c2k s GLN 81 N -4.18 1.37 -0.30 1.61 -0.21 -0.94 -4.98 119.66 112.03 1c2k s GLN 81 Ca 0.42 -0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.54 1c2k s GLN 81 Cb -0.09 -1.36 0.04 0.00 1.00 0.00 0.00 33.01 32.60 1c2k s GLN 81 CO 0.32 -0.16 0.02 -0.06 -2.12 0.00 0.00 175.29 173.29 1c2k s PHE 82 N 1.33 3.22 -0.02 0.91 2.99 -1.26 -0.47 117.98 124.69 1c2k s PHE 82 Ca -0.03 -1.64 0.04 0.00 0.00 0.00 0.00 56.93 55.31 1c2k s PHE 82 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 43.02 40.72 1c2k s PHE 82 CO -0.03 -0.76 -0.14 0.42 -0.00 0.00 0.00 175.22 174.71 1c2k s ILE 83 N 1.32 1.14 0.40 0.64 1.01 0.10 -4.95 121.20 120.86 1c2k s ILE 83 Ca -0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1c2k s ILE 83 Cb -0.19 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1c2k s ILE 83 CO -0.00 0.33 0.73 -0.44 0.00 0.00 0.00 174.94 175.55 1c2k s SER 84 N -0.17 6.44 0.36 3.58 0.01 -1.26 0.05 113.70 122.71 1c2k s SER 84 Ca 0.02 0.99 -0.24 0.00 1.31 0.00 0.00 55.95 58.03 1c2k s SER 84 Cb -0.07 -2.26 -0.10 0.00 0.21 0.00 0.00 66.02 63.79 1c2k s SER 84 CO 0.00 -0.40 0.96 0.00 0.41 0.00 0.00 173.24 174.21 1c2k s ALA 85 N -2.40 3.14 -0.22 1.44 0.00 -0.81 -1.12 121.76 121.80 1c2k s ALA 85 Ca 0.49 0.50 0.12 0.00 0.00 0.00 0.00 51.96 53.07 1c2k s ALA 85 Cb -0.10 -3.18 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 1c2k s ALA 85 CO 0.34 0.12 -0.02 -1.13 0.00 0.00 0.00 175.76 175.08 1c2k n SER 86 N 0.13 0.78 -3.56 0.00 3.41 -0.05 -4.70 113.62 109.62 1c2k n SER 86 Ca 0.04 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1c2k n SER 86 Cb 0.51 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 1c2k n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1c2k s LYS 87 N -2.50 1.23 0.01 4.33 -2.85 -1.23 -5.02 119.74 113.71 1c2k s LYS 87 Ca -0.19 -0.64 0.03 0.00 -1.00 0.00 0.00 55.97 54.18 1c2k s LYS 87 Cb 0.07 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.36 1c2k s LYS 87 CO 0.75 -0.52 -0.11 -1.12 0.10 0.00 0.00 175.35 174.45 1c2k s SER 88 N -2.80 1.24 -0.12 0.03 0.01 -1.26 -1.27 113.70 109.53 1c2k s SER 88 Ca 0.03 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 1c2k s SER 88 Cb -0.00 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1c2k s SER 88 CO -0.10 0.06 -0.06 -0.63 0.41 0.00 0.00 173.24 172.91 1c2k s ILE 89 N -0.52 0.96 0.02 1.44 1.01 0.48 -4.96 121.20 119.62 1c2k s ILE 89 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1c2k s ILE 89 Cb -0.06 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1c2k s ILE 89 CO 0.00 0.31 0.30 -0.69 0.00 0.00 0.00 174.94 174.86 1c2k s VAL 90 N 1.73 5.24 0.22 2.92 1.01 -1.26 -0.10 120.40 130.16 1c2k s VAL 90 Ca 0.04 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.00 1c2k s VAL 90 Cb -0.13 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 1c2k s VAL 90 CO -0.08 0.38 1.32 1.57 0.00 0.00 0.00 175.10 178.30 1c2k n HIS 91 N 1.18 1.89 -0.35 5.22 -0.00 -0.76 -4.85 115.22 117.56 1c2k n HIS 91 Ca -0.11 0.51 0.25 0.00 0.46 0.00 0.00 57.72 58.83 1c2k n HIS 91 Cb 0.53 -2.40 0.52 0.00 -0.12 0.00 0.00 29.99 28.52 1c2k n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1c2k h PRO 92 N 3.89 0.33 -0.64 1.57 0.13 -1.94 -1.10 132.00 134.24 1c2k h PRO 92 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1c2k h PRO 92 Cb 1.30 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c2k h PRO 92 CO 0.73 0.22 0.00 0.43 -0.23 0.00 0.00 178.00 179.15 1c2k n SER 93 N -4.71 4.79 -4.70 1.44 7.64 -1.26 -4.98 113.62 111.84 1c2k n SER 93 Ca 0.29 -2.57 -0.42 0.00 1.01 0.00 0.00 58.87 57.18 1c2k n SER 93 Cb 0.99 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1c2k n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c2k n TYR 94 N 0.89 2.68 -3.77 1.43 -0.00 -0.42 -4.66 117.16 113.31 1c2k n TYR 94 Ca 0.25 -0.12 -0.37 0.00 -0.00 0.00 0.00 57.90 57.65 1c2k n TYR 94 Cb 0.94 -2.73 -0.13 0.00 -0.00 0.00 0.00 39.34 37.43 1c2k n TYR 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1c2k s ASN 95 N 2.39 5.24 0.00 2.98 3.84 -0.65 -4.97 114.94 123.77 1c2k s ASN 95 Ca 0.80 -1.13 0.19 0.00 0.21 0.00 0.00 52.86 52.93 1c2k s ASN 95 Cb -0.48 -1.85 0.87 0.00 -0.55 0.00 0.00 41.25 39.24 1c2k s ASN 95 CO 0.36 -0.31 1.60 -1.54 -2.79 0.00 0.00 177.10 174.42 1c2k n SER 96 N 4.79 0.00 -0.04 -4.21 3.41 -1.26 -0.64 113.62 115.67 1c2k n SER 96 Ca -0.13 0.32 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 1c2k n SER 96 Cb 0.45 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1c2k n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1c2k h ASN 97 N 0.00 0.19 0.42 4.04 -0.26 -1.96 -3.39 115.58 114.63 1c2k h ASN 97 Ca 0.00 -0.76 0.00 0.00 -0.56 0.00 0.00 56.30 54.98 1c2k h ASN 97 Cb 0.27 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1c2k h ASN 97 CO 0.00 1.49 -1.32 0.35 -1.06 0.00 0.00 177.43 176.89 1c2k n THR 98 N -4.19 0.23 -2.06 2.81 -2.24 -1.20 -4.97 114.28 102.66 1c2k n THR 98 Ca -0.25 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1c2k n THR 98 Cb 0.76 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1c2k n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1c2k n LEU 99 N -2.22 -1.43 -4.75 3.22 4.77 0.19 -4.98 117.00 111.79 1c2k n LEU 99 Ca -0.00 0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.63 1c2k n LEU 99 Cb 0.50 -1.95 -0.06 0.00 -2.33 0.00 0.00 43.42 39.59 1c2k n LEU 99 CO 0.42 -0.24 0.62 0.21 -1.33 0.00 0.00 177.39 177.07 1c2k s ASN 100 N -2.53 7.60 -1.03 -1.43 3.04 -1.22 -3.34 114.94 116.04 1c2k s ASN 100 Ca 0.00 1.89 -0.04 0.00 0.04 0.00 0.00 52.86 54.76 1c2k s ASN 100 Cb 0.00 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 1c2k s ASN 100 CO 0.00 0.17 0.88 0.59 -3.04 0.00 0.00 177.10 175.70 1c2k n ASN 101 N 1.51 -3.92 -4.25 -4.21 5.03 -1.26 -1.63 115.26 106.52 1c2k n ASN 101 Ca -0.03 -0.46 -0.43 0.00 0.87 0.00 0.00 54.58 54.53 1c2k n ASN 101 Cb 0.47 -4.17 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 1c2k n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1c2k n ASP 102 N -2.39 4.75 -3.87 6.41 2.03 -1.21 -4.34 116.55 117.93 1c2k n ASP 102 Ca -0.10 -2.94 -0.11 0.00 0.52 0.00 0.00 54.79 52.16 1c2k n ASP 102 Cb 0.59 -1.66 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 1c2k n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1c2k s ILE 103 N 2.92 0.06 0.01 5.18 2.07 -1.26 -3.72 121.20 126.46 1c2k s ILE 103 Ca 0.48 -0.53 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 1c2k s ILE 103 Cb 0.06 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1c2k s ILE 103 CO 0.01 -0.29 0.29 0.00 -1.91 0.00 0.00 174.94 173.04 1c2k s MET 104 N -1.00 0.70 -0.06 3.50 0.23 -0.68 -1.82 119.30 120.17 1c2k s MET 104 Ca -0.11 -0.32 0.04 0.00 -1.03 0.00 0.00 55.69 54.27 1c2k s MET 104 Cb -0.06 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 1c2k s MET 104 CO 0.01 -0.20 -0.17 -0.51 -2.03 0.00 0.00 175.02 172.12 1c2k s LEU 105 N -1.58 2.57 -0.11 0.18 1.43 0.85 -1.71 118.68 120.31 1c2k s LEU 105 Ca -0.11 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1c2k s LEU 105 Cb -0.04 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1c2k s LEU 105 CO 0.02 0.31 -0.16 -0.63 0.23 0.00 0.00 176.35 176.11 1c2k s ILE 106 N -0.52 1.57 -0.04 -0.59 1.01 0.12 -0.39 121.20 122.36 1c2k s ILE 106 Ca 0.07 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1c2k s ILE 106 Cb -0.11 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1c2k s ILE 106 CO 0.01 0.46 0.24 -0.75 0.00 0.00 0.00 174.94 174.90 1c2k s LYS 107 N 0.96 3.57 0.17 2.79 2.20 -0.40 -0.64 119.74 128.40 1c2k s LYS 107 Ca -0.07 -0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 1c2k s LYS 107 Cb -0.15 -3.14 -0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1c2k s LYS 107 CO -0.01 0.70 0.51 -0.51 -0.36 0.00 0.00 175.35 175.67 1c2k s LEU 108 N -1.43 4.26 0.07 5.43 1.43 0.47 -0.87 118.68 128.04 1c2k s LEU 108 Ca 0.23 0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.02 1c2k s LEU 108 Cb -0.13 -3.41 -0.13 0.00 0.03 0.00 0.00 46.19 42.56 1c2k s LEU 108 CO 0.12 0.03 1.61 0.50 0.23 0.00 0.00 176.35 178.84 1c2k h LYS 109 N 3.07 0.16 -5.92 1.70 3.64 -1.40 -3.42 116.57 114.40 1c2k h LYS 109 Ca -0.48 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.34 1c2k h LYS 109 Cb 1.18 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 1c2k h LYS 109 CO 0.68 0.27 -0.75 -1.54 -2.27 0.00 0.00 179.45 175.84 1c2k s SER 110 N -5.49 3.11 0.36 4.20 1.04 -1.26 -5.00 113.70 110.66 1c2k s SER 110 Ca -0.14 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 1c2k s SER 110 Cb 0.06 -0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.86 1c2k s SER 110 CO 0.69 -0.05 1.00 0.00 0.98 0.00 0.00 173.24 175.86 1c2k s ALA 111 N -2.70 3.16 0.61 5.32 0.00 -1.26 -4.88 121.76 122.02 1c2k s ALA 111 Ca 0.26 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1c2k s ALA 111 Cb -0.03 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1c2k s ALA 111 CO 0.11 -0.03 0.99 0.00 0.00 0.00 0.00 175.76 176.83 1c2k s ALA 112 N -1.63 3.13 -0.31 0.00 0.00 -0.74 -5.00 121.76 117.21 1c2k s ALA 112 Ca 0.54 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1c2k s ALA 112 Cb -0.21 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1c2k s ALA 112 CO 0.26 -0.75 0.18 -1.12 0.00 0.00 0.00 175.76 174.34 1c2k s SER 113 N -4.22 5.79 0.12 0.00 0.01 -1.26 -4.84 113.70 109.29 1c2k s SER 113 Ca 0.54 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 57.20 1c2k s SER 113 Cb -0.11 -2.07 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 1c2k s SER 113 CO 0.51 -0.16 0.83 -0.76 0.41 0.00 0.00 173.24 174.07 1c2k s LEU 114 N 1.68 4.53 0.00 2.44 1.43 -1.26 -4.79 118.68 122.71 1c2k s LEU 114 Ca 0.06 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1c2k s LEU 114 Cb -0.17 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1c2k s LEU 114 CO 0.09 0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.28 1c2k n ASN 115 N 2.28 0.00 0.15 2.29 0.23 0.19 -4.96 115.26 115.44 1c2k n ASN 115 Ca -0.02 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.04 1c2k n ASN 115 Cb 0.49 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.54 1c2k n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1c2k h SER 116 N 0.00 0.12 1.07 0.53 0.02 -2.00 -3.05 113.55 110.24 1c2k h SER 116 Ca 0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1c2k h SER 116 Cb 0.00 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1c2k h SER 116 CO 0.00 0.42 -0.94 0.03 -1.14 0.00 0.00 176.83 175.20 1c2k h ARG 117 N 0.11 0.00 -3.63 3.45 3.08 -1.92 -3.44 114.38 112.03 1c2k h ARG 117 Ca 0.02 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.53 1c2k h ARG 117 Cb 0.59 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.24 1c2k h ARG 117 CO 0.04 0.04 -0.77 0.08 -1.07 0.00 0.00 179.97 178.30 1c2k s VAL 118 N -3.29 0.67 0.17 2.04 1.01 -1.15 -4.27 120.40 115.58 1c2k s VAL 118 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1c2k s VAL 118 Cb 0.09 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1c2k s VAL 118 CO 0.78 -0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1c2k s ALA 119 N 1.78 1.47 0.32 5.51 0.00 -0.77 -0.64 121.76 129.44 1c2k s ALA 119 Ca -0.00 -1.57 0.06 0.00 0.00 0.00 0.00 51.96 50.45 1c2k s ALA 119 Cb -0.17 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1c2k s ALA 119 CO -0.10 -0.20 0.45 -1.54 0.00 0.00 0.00 175.76 174.37 1c2k s SER 120 N -3.19 5.98 0.16 0.00 1.04 -1.26 -3.52 113.70 112.90 1c2k s SER 120 Ca 0.21 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1c2k s SER 120 Cb 0.04 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 1c2k s SER 120 CO 0.03 -0.39 0.01 -0.51 0.98 0.00 0.00 173.24 173.36 1c2k s ILE 121 N -2.16 3.81 0.26 -1.02 1.10 -0.46 -4.89 121.20 117.84 1c2k s ILE 121 Ca 0.44 -1.33 -0.09 0.00 -0.51 0.00 0.00 60.65 59.15 1c2k s ILE 121 Cb -0.09 -2.90 -0.07 0.00 0.15 0.00 0.00 42.46 39.55 1c2k s ILE 121 CO 0.31 -0.07 0.58 -0.44 -2.11 0.00 0.00 174.94 173.20 1c2k s SER 122 N -2.84 6.60 0.34 4.50 0.01 -1.26 -4.59 113.70 116.45 1c2k s SER 122 Ca 0.27 0.93 -0.11 0.00 1.31 0.00 0.00 55.95 58.35 1c2k s SER 122 Cb -0.10 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 1c2k s SER 122 CO 0.19 -0.12 0.70 -0.76 0.41 0.00 0.00 173.24 173.66 1c2k s LEU 123 N -3.02 3.98 0.59 2.44 1.43 -1.26 -0.65 118.68 122.19 1c2k s LEU 123 Ca 0.48 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1c2k s LEU 123 Cb -0.11 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1c2k s LEU 123 CO 0.23 -0.27 0.98 -2.16 0.23 0.00 0.00 176.35 175.37 1c2k s PRO 124 N -3.39 3.62 -0.10 1.29 0.04 -1.26 -4.80 135.00 130.41 1c2k s PRO 124 Ca 0.51 0.68 0.18 0.00 0.04 0.00 0.00 61.00 62.41 1c2k s PRO 124 Cb -0.10 -2.13 -0.27 0.00 0.04 0.00 0.00 34.50 32.03 1c2k s PRO 124 CO 0.25 -0.48 0.27 0.25 0.04 0.00 0.00 177.00 177.33 1c2k n THR 125 N -2.55 0.56 -4.13 1.26 -2.24 -1.26 -4.99 114.28 100.93 1c2k n THR 125 Ca 0.05 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 1c2k n THR 125 Cb 0.54 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1c2k n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c2k s SER 127 N -4.72 0.13 0.44 3.42 1.04 -1.26 -5.16 113.70 107.59 1c2k s SER 127 Ca -0.08 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.03 1c2k s SER 127 Cb 0.10 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 1c2k s SER 127 CO 0.80 -0.87 0.82 0.00 0.98 0.00 0.00 173.24 174.96 1c2k s ALA 129 N -2.49 3.55 0.47 0.00 0.00 -1.26 -5.08 121.76 116.96 1c2k s ALA 129 Ca 0.52 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 1c2k s ALA 129 Cb -0.10 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1c2k s ALA 129 CO 0.34 0.47 0.83 -1.12 0.00 0.00 0.00 175.76 176.28 1c2k s SER 130 N -2.43 6.42 0.47 0.00 0.01 -1.26 -5.01 113.70 111.89 1c2k s SER 130 Ca 0.48 1.16 -0.24 0.00 1.31 0.00 0.00 55.95 58.66 1c2k s SER 130 Cb -0.11 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1c2k s SER 130 CO 0.22 -0.54 1.32 0.00 0.41 0.00 0.00 173.24 174.65 1c2k s ALA 132 N -2.62 3.07 0.00 1.44 0.00 -1.26 -2.01 121.76 120.38 1c2k s ALA 132 Ca 0.51 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1c2k s ALA 132 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1c2k s ALA 132 CO 0.38 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1c2k n GLY 133 N 0.63 3.22 3.49 0.00 0.00 -0.45 -4.93 105.19 107.14 1c2k n GLY 133 Ca 0.07 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 1c2k n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c2k n THR 134 N 0.00 1.90 -3.48 2.61 -1.04 -0.85 -4.39 114.28 109.02 1c2k n THR 134 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1c2k n THR 134 Cb 0.00 -0.56 -0.07 0.00 -1.82 0.00 0.00 70.33 67.88 1c2k n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1c2k s GLN 135 N -1.40 4.25 0.27 -2.82 -1.52 -1.26 -0.82 119.66 116.35 1c2k s GLN 135 Ca 0.62 0.20 0.07 0.00 -1.95 0.00 0.00 55.36 54.30 1c2k s GLN 135 Cb -0.73 -3.41 -0.05 0.00 -0.22 0.00 0.00 33.01 28.59 1c2k s GLN 135 CO 0.58 0.25 -0.09 0.00 -0.25 0.00 0.00 175.29 175.78 1c2k s LEU 137 N -3.43 2.17 -0.11 0.00 2.96 0.26 -0.56 118.68 119.97 1c2k s LEU 137 Ca 0.28 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1c2k s LEU 137 Cb 0.02 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 1c2k s LEU 137 CO 0.11 0.12 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.47 1c2k s ILE 138 N 0.57 2.74 0.13 6.68 1.01 -0.05 -1.23 121.20 131.06 1c2k s ILE 138 Ca -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1c2k s ILE 138 Cb -0.17 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1c2k s ILE 138 CO 0.04 0.55 -0.05 -0.94 0.00 0.00 0.00 174.94 174.53 1c2k s SER 139 N 0.15 1.24 0.00 3.58 1.04 -1.19 -1.14 113.70 117.38 1c2k s SER 139 Ca -0.09 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1c2k s SER 139 Cb -0.15 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1c2k s SER 139 CO 0.05 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1c2k n GLY 140 N -0.12 0.09 0.91 7.32 0.00 -0.58 -4.46 105.19 108.34 1c2k n GLY 140 Ca -0.10 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.75 1c2k n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c2k n TRP 141 N -0.80 0.77 -1.91 1.61 8.01 -1.26 -1.99 117.44 121.87 1c2k n TRP 141 Ca 0.00 -1.40 -0.29 0.00 -1.31 0.00 0.00 57.50 54.50 1c2k n TRP 141 Cb 0.00 -0.39 0.12 0.00 -2.01 0.00 0.00 31.31 29.04 1c2k n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1c2k s GLY 142 N -2.59 1.66 0.47 6.99 0.00 -1.26 -4.42 107.32 108.17 1c2k s GLY 142 Ca 0.42 -0.84 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 1c2k s GLY 142 CO 0.01 -0.25 0.08 -2.01 0.00 0.00 0.00 173.10 170.92 1c2k n ASN 143 N -3.48 -2.87 -0.00 1.64 5.15 -0.02 -1.84 115.26 113.84 1c2k n ASN 143 Ca 0.10 0.74 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 1c2k n ASN 143 Cb 0.60 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 1c2k n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1c2k n THR 144 N -1.30 0.02 -4.38 -0.44 -2.24 -0.24 0.90 114.28 106.60 1c2k n THR 144 Ca 0.10 -0.51 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1c2k n THR 144 Cb 0.44 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 1c2k n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1c2k s LYS 145 N -0.02 3.39 -0.04 -0.78 -0.14 -1.26 -4.56 119.74 116.33 1c2k s LYS 145 Ca 0.00 -0.65 -0.19 0.00 -1.36 0.00 0.00 55.97 53.77 1c2k s LYS 145 Cb 0.00 -2.80 -0.12 0.00 -1.68 0.00 0.00 37.83 33.23 1c2k s LYS 145 CO 0.00 0.04 0.79 1.03 -0.76 0.00 0.00 175.35 176.45 1c2k h SER 146 N 7.28 -0.34 -3.65 2.83 0.87 -1.95 -3.35 113.55 115.26 1c2k h SER 146 Ca -0.33 -0.16 -0.79 0.00 -1.23 0.00 0.00 61.79 59.28 1c2k h SER 146 Cb 1.19 0.09 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 1c2k h SER 146 CO 0.59 0.14 0.28 -0.44 -0.53 0.00 0.00 176.83 176.87 1c2k s SER 147 N -5.17 6.99 0.00 6.23 0.01 -1.26 -4.82 113.70 115.69 1c2k s SER 147 Ca -0.11 -3.32 0.00 0.00 1.31 0.00 0.00 55.95 53.84 1c2k s SER 147 Cb 0.01 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1c2k s SER 147 CO 0.37 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1c2k n GLY 148 N 3.07 0.41 2.79 3.44 0.00 -1.26 -5.10 105.19 108.54 1c2k n GLY 148 Ca 0.20 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1c2k n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c2k s THR 149 N -2.34 -0.01 -0.22 2.61 2.01 -1.26 -4.60 115.64 111.83 1c2k s THR 149 Ca 0.00 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 1c2k s THR 149 Cb 0.00 -0.11 0.07 0.00 0.01 0.00 0.00 72.50 72.47 1c2k s THR 149 CO 0.00 0.09 0.53 -0.55 -0.69 0.00 0.00 174.62 174.00 1c2k s SER 150 N 0.96 -0.69 -0.21 3.53 0.15 -1.26 -4.90 113.70 111.28 1c2k s SER 150 Ca -0.08 1.17 0.01 0.00 0.70 0.00 0.00 55.95 57.76 1c2k s SER 150 Cb -0.12 1.14 0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1c2k s SER 150 CO -0.02 -0.22 -0.16 -0.31 1.20 0.00 0.00 173.24 173.73 1c2k s TYR 151 N 1.67 2.97 0.88 3.44 2.02 -1.26 -1.08 117.35 126.00 1c2k s TYR 151 Ca -0.09 -1.87 -0.13 0.00 -0.37 0.00 0.00 57.07 54.61 1c2k s TYR 151 Cb -0.08 -1.93 0.13 0.00 -0.40 0.00 0.00 41.96 39.68 1c2k s TYR 151 CO -0.16 -0.83 1.17 -1.25 -1.57 0.00 0.00 175.55 172.92 1c2k s PRO 152 N 1.23 1.34 -0.00 -1.71 0.04 -1.26 -4.99 135.00 129.66 1c2k s PRO 152 Ca -0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1c2k s PRO 152 Cb -0.16 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1c2k s PRO 152 CO -0.10 -2.03 0.00 -0.25 0.04 0.00 0.00 177.00 174.67 1c2k n ASP 153 N -3.62 0.89 -4.81 6.66 8.00 -1.26 -4.89 116.55 117.52 1c2k n ASP 153 Ca 0.08 -0.41 -0.22 0.00 0.71 0.00 0.00 54.79 54.95 1c2k n ASP 153 Cb 0.60 1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.65 1c2k n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1c2k s VAL 154 N -1.18 4.36 0.23 2.53 -7.23 -1.26 -0.71 120.40 117.14 1c2k s VAL 154 Ca 0.00 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1c2k s VAL 154 Cb 0.00 -3.35 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 1c2k s VAL 154 CO 0.00 -0.34 1.24 -0.22 -0.31 0.00 0.00 175.10 175.47 1c2k s LEU 155 N -3.80 4.45 0.01 1.32 2.96 -1.06 -4.77 118.68 117.78 1c2k s LEU 155 Ca 0.33 2.38 0.06 0.00 -0.22 0.00 0.00 54.13 56.68 1c2k s LEU 155 Cb -0.08 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1c2k s LEU 155 CO 0.24 -0.42 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.13 1c2k s LYS 156 N -0.67 2.19 0.20 1.98 3.01 -0.84 -2.15 119.74 123.45 1c2k s LYS 156 Ca 0.52 -0.90 0.10 0.00 -1.01 0.00 0.00 55.97 54.68 1c2k s LYS 156 Cb -0.35 -2.21 -0.04 0.00 -1.01 0.00 0.00 37.83 34.22 1c2k s LYS 156 CO 0.41 0.57 -0.20 0.00 0.51 0.00 0.00 175.35 176.64 1c2k s LEU 158 N -2.91 -0.26 -0.22 0.00 2.96 -0.29 0.03 118.68 117.98 1c2k s LEU 158 Ca 0.21 0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 54.90 1c2k s LEU 158 Cb -0.06 1.36 -0.04 0.00 0.50 0.00 0.00 46.19 47.95 1c2k s LEU 158 CO 0.09 -0.21 0.31 -0.54 -1.32 0.00 0.00 176.35 174.69 1c2k s LYS 159 N 1.75 4.12 -0.01 1.98 1.02 -1.26 -0.87 119.74 126.47 1c2k s LYS 159 Ca -0.07 0.02 -0.06 0.00 0.02 0.00 0.00 55.97 55.88 1c2k s LYS 159 Cb -0.09 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1c2k s LYS 159 CO -0.13 -0.03 0.13 0.00 -0.92 0.00 0.00 175.35 174.40 1c2k s ALA 160 N 1.30 -0.30 0.50 5.17 0.00 0.27 -4.94 121.76 123.76 1c2k s ALA 160 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 1c2k s ALA 160 Cb -0.14 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1c2k s ALA 160 CO 0.07 -0.17 0.80 -1.25 0.00 0.00 0.00 175.76 175.21 1c2k s PRO 161 N -1.07 3.42 0.12 0.00 0.04 -1.26 0.00 135.00 136.25 1c2k s PRO 161 Ca -0.12 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.79 1c2k s PRO 161 Cb -0.06 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 1c2k s PRO 161 CO 0.01 -0.30 0.89 0.42 0.04 0.00 0.00 177.00 178.06 1c2k s ILE 162 N -2.78 4.48 0.53 0.56 1.01 -0.00 -2.33 121.20 122.66 1c2k s ILE 162 Ca 0.49 1.92 0.00 0.00 0.00 0.00 0.00 60.65 63.06 1c2k s ILE 162 Cb -0.10 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1c2k s ILE 162 CO 0.45 0.38 0.76 -0.76 0.00 0.00 0.00 174.94 175.77 1c2k s LEU 163 N -0.32 3.36 0.51 2.97 1.43 -0.19 -1.35 118.68 125.09 1c2k s LEU 163 Ca 0.43 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 1c2k s LEU 163 Cb -0.23 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 1c2k s LEU 163 CO 0.28 -1.03 1.04 -0.94 0.23 0.00 0.00 176.35 175.92 1c2k s SER 164 N -4.37 6.27 0.29 2.29 1.04 -1.26 -4.69 113.70 113.27 1c2k s SER 164 Ca 0.55 1.88 -0.02 0.00 0.48 0.00 0.00 55.95 58.83 1c2k s SER 164 Cb -0.10 -2.55 0.42 0.00 0.10 0.00 0.00 66.02 63.89 1c2k s SER 164 CO 0.39 -0.83 1.94 0.44 0.98 0.00 0.00 173.24 176.15 1c2k h ASP 165 N 1.31 0.92 -0.55 7.02 3.32 -1.96 -1.01 116.42 125.47 1c2k h ASP 165 Ca -0.49 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1c2k h ASP 165 Cb 1.22 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1c2k h ASP 165 CO 0.59 0.71 0.22 0.77 -1.72 0.00 0.00 179.24 179.81 1c2k h SER 166 N 1.06 0.76 0.54 6.45 4.64 -1.98 0.17 113.55 125.19 1c2k h SER 166 Ca 0.28 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1c2k h SER 166 Cb -0.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1c2k h SER 166 CO -0.05 0.73 -0.21 0.77 -0.87 0.00 0.00 176.83 177.19 1c2k h SER 167 N 0.75 0.00 0.04 4.97 4.64 -1.73 -0.92 113.55 121.31 1c2k h SER 167 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1c2k h SER 167 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1c2k h SER 167 CO -0.01 0.21 -0.02 0.00 -0.87 0.00 0.00 176.83 176.14 1c2k h LYS 169 N -0.80 0.00 0.00 0.00 1.57 -0.55 -2.18 116.57 114.61 1c2k h LYS 169 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1c2k h LYS 169 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1c2k h LYS 169 CO 0.01 0.22 -0.66 0.77 -0.57 0.00 0.00 179.45 179.22 1c2k h SER 170 N 0.00 0.00 0.06 0.86 0.02 -1.25 -2.97 113.55 110.28 1c2k h SER 170 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1c2k h SER 170 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1c2k h SER 170 CO 0.03 0.66 -0.74 0.00 -1.14 0.00 0.00 176.83 175.64 1c2k h ALA 171 N 1.34 0.47 -2.15 3.77 0.00 -1.40 -3.38 119.26 117.92 1c2k h ALA 171 Ca -0.01 -0.60 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 1c2k h ALA 171 Cb 1.24 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 1c2k h ALA 171 CO 0.09 0.72 -0.77 0.66 0.00 0.00 0.00 179.25 179.95 1c2k n TYR 172 N -3.89 2.25 -1.76 0.00 4.02 -0.86 -5.00 117.16 111.92 1c2k n TYR 172 Ca -0.06 -3.95 -0.42 0.00 -0.01 0.00 0.00 57.90 53.46 1c2k n TYR 172 Cb 0.72 -0.48 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 1c2k n TYR 172 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1c2k s PRO 173 N -1.99 4.13 -0.37 -0.72 0.02 -1.13 -1.46 135.00 133.48 1c2k s PRO 173 Ca 0.38 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1c2k s PRO 173 Cb 0.15 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1c2k s PRO 173 CO -0.05 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 1c2k n GLY 174 N 3.52 0.58 0.00 0.52 0.00 -1.26 -4.86 105.19 103.69 1c2k n GLY 174 Ca 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1c2k n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1c2k n GLN 175 N -1.73 2.83 -3.53 1.61 6.02 -0.54 -5.01 117.38 117.03 1c2k n GLN 175 Ca -0.04 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 1c2k n GLN 175 Cb 0.26 -0.86 -0.06 0.00 1.02 0.00 0.00 30.24 30.60 1c2k n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1c2k s ILE 176 N -1.76 5.17 0.53 5.09 -1.09 -1.25 -5.04 121.20 122.86 1c2k s ILE 176 Ca -0.00 0.71 0.04 0.00 -2.23 0.00 0.00 60.65 59.18 1c2k s ILE 176 Cb 0.02 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1c2k s ILE 176 CO 0.11 0.51 0.29 0.42 -1.23 0.00 0.00 174.94 175.04 1c2k s THR 177 N -0.50 1.52 -0.89 2.92 -4.23 -1.26 -4.98 115.64 108.22 1c2k s THR 177 Ca 0.21 -1.63 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 1c2k s THR 177 Cb -0.15 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.67 1c2k s THR 177 CO 0.10 0.00 1.47 -1.54 -0.54 0.00 0.00 174.62 174.11 1c2k n SER 178 N -1.63 0.13 -1.23 3.99 3.41 -1.26 -2.04 113.62 115.00 1c2k n SER 178 Ca -0.07 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 1c2k n SER 178 Cb 0.65 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 64.32 1c2k n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1c2k n ASN 179 N -1.65 3.58 -4.16 4.04 3.02 -1.26 -4.90 115.26 113.93 1c2k n ASN 179 Ca 0.03 -2.17 -0.16 0.00 -0.03 0.00 0.00 54.58 52.25 1c2k n ASN 179 Cb 0.16 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1c2k n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1c2k s MET 180 N -1.47 0.80 0.15 3.52 -1.94 -0.87 -1.24 119.30 118.26 1c2k s MET 180 Ca 0.41 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1c2k s MET 180 Cb 0.24 -0.62 -0.03 0.00 2.01 0.00 0.00 34.83 36.43 1c2k s MET 180 CO 0.24 0.12 0.16 -0.59 -0.01 0.00 0.00 175.02 174.93 1c2k s PHE 181 N -1.86 0.72 0.11 -0.03 -0.12 -0.74 -4.74 117.98 111.32 1c2k s PHE 181 Ca 0.01 -1.07 0.10 0.00 -0.05 0.00 0.00 56.93 55.92 1c2k s PHE 181 Cb -0.07 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1c2k s PHE 181 CO 0.01 -0.62 -0.25 0.00 -0.05 0.00 0.00 175.22 174.32 1c2k s ALA 183 N -1.06 -0.66 0.00 0.00 0.00 -1.07 -1.03 121.76 117.94 1c2k s ALA 183 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1c2k s ALA 183 Cb -0.10 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1c2k s ALA 183 CO 0.05 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1c2k n GLY 184 N 0.91 0.66 3.09 0.00 0.00 -0.99 -2.49 105.19 106.38 1c2k n GLY 184 Ca -0.20 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 1c2k n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c2k s TYR 184 N -2.45 1.14 -0.48 1.61 1.51 -1.26 -4.41 117.35 113.00 1c2k s TYR 184 Ca 0.00 -0.23 0.24 0.00 -1.01 0.00 0.00 57.07 56.07 1c2k s TYR 184 Cb 0.00 -0.73 0.38 0.00 -0.11 0.00 0.00 41.96 41.50 1c2k s TYR 184 CO 0.00 -0.01 1.52 -0.07 -1.11 0.00 0.00 175.55 175.87 1c2k h LEU 185 N 5.74 0.00 0.00 -1.29 3.38 -1.95 -2.89 115.31 118.30 1c2k h LEU 185 Ca -0.34 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1c2k h LEU 185 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1c2k h LEU 185 CO 0.49 0.01 0.00 -1.84 0.09 0.00 0.00 178.44 177.19 1c2k n GLU 186 N -2.76 0.14 0.00 1.13 0.28 -1.26 0.12 120.64 118.29 1c2k n GLU 186 Ca 0.04 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1c2k n GLU 186 Cb 0.50 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1c2k n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1c2k n GLY 187 N 0.03 -1.75 0.61 -1.84 0.00 -1.09 -4.37 105.19 96.77 1c2k n GLY 187 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1c2k n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2k n GLY 188 N 0.00 2.32 3.33 -0.02 0.00 0.25 -4.80 105.19 106.28 1c2k n GLY 188 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1c2k n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c2k s LYS 188 N 0.00 1.95 0.00 1.61 3.01 -1.26 -3.59 119.74 121.46 1c2k s LYS 188 Ca 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 55.97 53.93 1c2k s LYS 188 Cb 0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 34.81 1c2k s LYS 188 CO 0.00 0.53 0.00 -3.47 0.51 0.00 0.00 175.35 172.92 1c2k n ASP 189 N 2.07 0.00 -4.79 2.83 4.64 -0.76 -4.35 116.55 116.19 1c2k n ASP 189 Ca -0.16 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 52.96 1c2k n ASP 189 Cb 0.52 0.00 0.10 0.00 -1.04 0.00 0.00 41.12 40.70 1c2k n ASP 189 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1c2k s SER 190 N 0.00 4.34 0.33 1.67 1.04 -1.26 -1.04 113.70 118.78 1c2k s SER 190 Ca 0.00 0.66 -0.10 0.00 0.48 0.00 0.00 55.95 56.98 1c2k s SER 190 Cb 0.00 -1.10 0.04 0.00 0.10 0.00 0.00 66.02 65.06 1c2k s SER 190 CO 0.00 -1.99 0.62 0.00 0.98 0.00 0.00 173.24 172.85 1c2k n GLN 192 N -0.46 1.46 0.00 0.00 7.27 -1.26 -1.70 117.38 122.69 1c2k n GLN 192 Ca -0.06 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1c2k n GLN 192 Cb 0.50 -1.95 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1c2k n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1c2k n GLY 193 N 1.15 2.70 0.00 1.69 0.00 -1.26 -0.84 105.19 108.63 1c2k n GLY 193 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1c2k n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c2k n ASP 194 N 2.82 0.00 -4.62 1.61 10.43 -0.69 -4.02 116.55 122.08 1c2k n ASP 194 Ca 0.00 0.27 -0.46 0.00 2.57 0.00 0.00 54.79 57.17 1c2k n ASP 194 Cb 0.00 -0.27 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 1c2k n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1c2k n SER 195 N -1.24 1.93 0.00 -2.24 7.64 -1.26 -1.77 113.62 116.68 1c2k n SER 195 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1c2k n SER 195 Cb 0.04 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1c2k n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2k n GLY 196 N 1.72 3.28 3.77 0.23 0.00 -0.52 -0.74 105.19 112.93 1c2k n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1c2k n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c2k s GLY 197 N -2.31 1.64 0.55 -0.02 0.00 -0.73 -3.31 107.32 103.14 1c2k s GLY 197 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.54 1c2k s GLY 197 CO 0.00 0.40 1.02 2.56 0.00 0.00 0.00 173.10 177.07 1c2k s PRO 198 N -5.01 3.67 -0.19 2.90 0.04 -1.26 -0.83 135.00 134.32 1c2k s PRO 198 Ca 0.61 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 1c2k s PRO 198 Cb -0.16 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1c2k s PRO 198 CO 0.56 -0.51 0.06 0.08 0.04 0.00 0.00 177.00 177.23 1c2k s VAL 199 N -2.57 0.25 -0.10 -0.36 1.01 -0.77 -3.18 120.40 114.68 1c2k s VAL 199 Ca 0.61 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1c2k s VAL 199 Cb -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1c2k s VAL 199 CO 0.34 -0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.27 1c2k s VAL 200 N 1.98 2.36 -0.06 2.92 1.01 -0.36 -1.51 120.40 126.74 1c2k s VAL 200 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1c2k s VAL 200 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1c2k s VAL 200 CO -0.10 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 1c2k n SER 202 N 3.84 -2.85 -0.18 0.00 7.64 -1.26 -0.80 113.62 120.01 1c2k n SER 202 Ca -0.23 -0.99 -0.02 0.00 1.01 0.00 0.00 58.87 58.64 1c2k n SER 202 Cb 0.52 -2.94 -0.01 0.00 -1.01 0.00 0.00 64.21 60.77 1c2k n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2k n GLY 203 N -1.56 0.54 3.35 0.23 0.00 -1.26 -5.02 105.19 101.46 1c2k n GLY 203 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1c2k n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c2k s LYS 204 N -1.32 1.31 -0.58 1.61 -0.14 0.02 -4.32 119.74 116.32 1c2k s LYS 204 Ca 0.00 -1.36 -0.26 0.00 -1.36 0.00 0.00 55.97 53.00 1c2k s LYS 204 Cb 0.00 -1.57 0.04 0.00 -1.68 0.00 0.00 37.83 34.62 1c2k s LYS 204 CO 0.00 0.35 1.05 -1.17 -0.76 0.00 0.00 175.35 174.82 1c2k s LEU 209 N -2.35 3.83 -0.05 3.17 2.96 0.18 -1.35 118.68 125.06 1c2k s LEU 209 Ca 0.14 -0.21 0.14 0.00 -0.22 0.00 0.00 54.13 53.97 1c2k s LEU 209 Cb -0.08 -2.92 -0.21 0.00 0.50 0.00 0.00 46.19 43.48 1c2k s LEU 209 CO 0.07 -1.36 0.24 0.00 -1.32 0.00 0.00 176.35 173.98 1c2k n GLN 210 N 7.93 0.82 -4.08 1.98 1.13 -0.57 -4.19 117.38 120.39 1c2k n GLN 210 Ca 0.04 -0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.91 1c2k n GLN 210 Cb 0.48 -1.34 -0.09 0.00 0.11 0.00 0.00 30.24 29.40 1c2k n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1c2k s GLY 211 N -3.92 0.82 -0.05 1.08 0.00 -0.64 -1.86 107.32 102.74 1c2k s GLY 211 Ca -0.06 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1c2k s GLY 211 CO 0.58 -1.17 -0.11 -0.42 0.00 0.00 0.00 173.10 171.97 1c2k s ILE 212 N -4.02 1.04 0.11 0.90 1.01 -1.11 -1.84 121.20 117.29 1c2k s ILE 212 Ca 0.22 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 1c2k s ILE 212 Cb 0.06 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.49 1c2k s ILE 212 CO 0.02 0.33 1.72 -0.69 0.00 0.00 0.00 174.94 176.31 1c2k s VAL 213 N 0.48 2.74 0.13 2.92 1.01 -0.01 -1.60 120.40 126.08 1c2k s VAL 213 Ca -0.10 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1c2k s VAL 213 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1c2k s VAL 213 CO 0.02 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.89 1c2k n SER 214 N 5.37 0.82 -2.54 3.32 2.88 -0.95 -1.44 113.62 121.09 1c2k n SER 214 Ca 0.16 0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.82 1c2k n SER 214 Cb 0.39 -0.18 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1c2k n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1c2k n TRP 215 N -3.48 -1.89 -4.01 0.66 4.27 -0.80 -4.94 117.44 107.26 1c2k n TRP 215 Ca 0.00 -1.68 0.03 0.00 -3.89 0.00 0.00 57.50 51.96 1c2k n TRP 215 Cb 0.02 0.68 0.01 0.00 -1.36 0.00 0.00 31.31 30.65 1c2k n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1c2k n GLY 216 N -0.46 0.21 3.22 -1.67 0.00 -1.26 -0.31 105.19 104.92 1c2k n GLY 216 Ca -0.05 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1c2k n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c2k s SER 217 N -3.19 5.63 1.00 1.61 0.15 -1.26 -4.95 113.70 112.69 1c2k s SER 217 Ca 0.24 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1c2k s SER 217 Cb -0.00 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1c2k s SER 217 CO -0.02 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1c2k n GLY 219 N 4.88 2.41 3.08 9.45 0.00 -1.26 -4.57 105.19 119.18 1c2k n GLY 219 Ca -0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1c2k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2k n ALA 221 N 0.56 -0.36 -2.06 0.00 0.00 -1.26 -4.88 120.51 112.51 1c2k n ALA 221 Ca -0.17 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 1c2k n ALA 221 Cb 0.59 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.50 1c2k n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1c2k s GLN 221 N -2.45 3.36 0.30 0.00 -1.52 -1.26 -0.58 119.66 117.51 1c2k s GLN 221 Ca 0.16 0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 53.66 1c2k s GLN 221 Cb -0.10 -2.22 -0.10 0.00 -0.22 0.00 0.00 33.01 30.38 1c2k s GLN 221 CO 0.20 -0.52 1.29 0.21 -0.25 0.00 0.00 175.29 176.22 1c2k s LYS 222 N -5.01 4.39 0.00 2.91 2.20 -1.26 -2.29 119.74 120.68 1c2k s LYS 222 Ca 0.52 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1c2k s LYS 222 Cb -0.11 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1c2k s LYS 222 CO 0.49 -0.16 0.00 0.09 -0.36 0.00 0.00 175.35 175.40 1c2k n ASN 223 N 1.27 -4.52 -3.80 1.43 3.02 0.12 -4.91 115.26 107.88 1c2k n ASN 223 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.28 1c2k n ASN 223 Cb 0.42 -2.45 -0.12 0.00 -0.61 0.00 0.00 39.78 37.02 1c2k n ASN 223 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1c2k s LYS 224 N -1.29 1.96 0.90 3.52 -0.14 -0.97 -4.74 119.74 118.99 1c2k s LYS 224 Ca 0.00 -2.82 -0.12 0.00 -1.36 0.00 0.00 55.97 51.67 1c2k s LYS 224 Cb 0.00 -2.93 0.13 0.00 -1.68 0.00 0.00 37.83 33.35 1c2k s LYS 224 CO 0.00 -1.25 1.13 -1.25 -0.76 0.00 0.00 175.35 173.22 1c2k s PRO 225 N -0.74 1.20 0.51 -1.68 0.04 -1.26 -4.06 135.00 129.01 1c2k s PRO 225 Ca 0.23 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1c2k s PRO 225 Cb -0.10 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1c2k s PRO 225 CO -0.11 -2.16 0.86 0.20 0.04 0.00 0.00 177.00 175.83 1c2k s GLY 226 N -4.01 1.65 -0.08 0.56 0.00 -1.04 -4.48 107.32 99.92 1c2k s GLY 226 Ca 0.64 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.08 1c2k s GLY 226 CO 0.53 -0.10 -0.15 0.14 0.00 0.00 0.00 173.10 173.53 1c2k s VAL 227 N -2.80 2.96 0.11 1.40 1.01 0.57 -2.60 120.40 121.04 1c2k s VAL 227 Ca 0.51 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1c2k s VAL 227 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1c2k s VAL 227 CO 0.45 0.56 -0.22 -0.31 0.00 0.00 0.00 175.10 175.57 1c2k s TYR 228 N -0.24 1.92 0.12 5.22 2.02 0.07 -1.90 117.35 124.56 1c2k s TYR 228 Ca 0.01 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1c2k s TYR 228 Cb -0.13 -1.05 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 1c2k s TYR 228 CO 0.03 0.24 1.14 0.99 -1.57 0.00 0.00 175.55 176.38 1c2k s THR 229 N -1.16 3.99 -0.91 -0.71 2.01 -0.62 -1.79 115.64 116.44 1c2k s THR 229 Ca 0.09 1.56 -0.20 0.00 0.31 0.00 0.00 61.69 63.45 1c2k s THR 229 Cb -0.10 -4.00 0.11 0.00 0.01 0.00 0.00 72.50 68.52 1c2k s THR 229 CO 0.05 0.20 1.16 -0.75 -0.69 0.00 0.00 174.62 174.59 1c2k s LYS 230 N 0.32 3.53 0.47 4.92 2.20 -0.37 -2.73 119.74 128.09 1c2k s LYS 230 Ca 0.54 -1.53 0.18 0.00 -0.36 0.00 0.00 55.97 54.80 1c2k s LYS 230 Cb -0.29 -4.90 1.18 0.00 -1.51 0.00 0.00 37.83 32.31 1c2k s LYS 230 CO 0.32 -1.85 2.00 0.28 -0.36 0.00 0.00 175.35 175.74 1c2k h VAL 231 N 6.02 0.85 0.00 4.02 2.07 -1.68 -2.64 116.25 124.88 1c2k h VAL 231 Ca 0.11 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1c2k h VAL 231 Cb 1.03 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1c2k h VAL 231 CO 1.17 0.04 0.15 0.00 0.02 0.00 0.00 177.57 178.95 1c2k n ASN 233 N -2.99 0.45 0.00 0.00 3.02 -0.99 -3.94 115.26 110.80 1c2k n ASN 233 Ca -0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1c2k n ASN 233 Cb 0.21 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1c2k n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1c2k n TYR 234 N -1.05 0.00 -0.21 3.10 4.01 -0.24 -4.82 117.16 117.95 1c2k n TYR 234 Ca 0.13 -0.38 -0.04 0.00 -0.16 0.00 0.00 57.90 57.44 1c2k n TYR 234 Cb 0.29 -0.04 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1c2k n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1c2k h VAL 235 N 0.06 1.06 -0.40 -0.72 2.07 -1.67 0.60 116.25 117.25 1c2k h VAL 235 Ca 0.00 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1c2k h VAL 235 Cb 0.40 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1c2k h VAL 235 CO 0.00 0.13 -0.12 0.77 0.02 0.00 0.00 177.57 178.37 1c2k h SER 236 N 0.72 0.70 -0.50 0.57 4.64 -1.90 0.70 113.55 118.48 1c2k h SER 236 Ca 0.25 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1c2k h SER 236 Cb 0.03 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1c2k h SER 236 CO -0.11 0.84 -0.12 -0.25 -0.87 0.00 0.00 176.83 176.32 1c2k h TRP 237 N 0.64 1.09 0.54 4.77 7.01 -1.81 -0.36 115.95 127.83 1c2k h TRP 237 Ca 0.11 -0.23 -0.03 0.00 2.11 0.00 0.00 58.89 60.85 1c2k h TRP 237 Cb 0.57 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1c2k h TRP 237 CO 0.03 1.04 -0.26 0.82 -2.79 0.00 0.00 178.44 177.27 1c2k h ILE 238 N 0.83 0.38 -0.96 2.65 2.04 -0.43 -0.43 117.51 121.59 1c2k h ILE 238 Ca 0.13 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.79 1c2k h ILE 238 Cb 0.68 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1c2k h ILE 238 CO 0.05 0.04 0.61 0.11 0.00 0.00 0.00 178.15 178.96 1c2k h LYS 239 N -0.94 0.92 -0.17 2.37 1.57 -0.85 -0.50 116.57 118.97 1c2k h LYS 239 Ca -0.07 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1c2k h LYS 239 Cb 0.63 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1c2k h LYS 239 CO 0.12 0.61 -0.44 1.96 -0.57 0.00 0.00 179.45 181.13 1c2k h GLN 240 N 0.95 0.59 -0.25 3.15 4.20 -0.99 -2.72 115.11 120.04 1c2k h GLN 240 Ca 0.46 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1c2k h GLN 240 Cb 0.45 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1c2k h GLN 240 CO -0.22 1.03 0.04 1.15 -0.67 0.00 0.00 178.83 180.16 1c2k h THR 241 N 0.25 1.23 -0.69 -0.54 2.02 -0.65 -2.60 112.91 111.94 1c2k h THR 241 Ca -0.01 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1c2k h THR 241 Cb 1.05 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1c2k h THR 241 CO 0.09 0.25 0.30 0.16 0.37 0.00 0.00 175.52 176.70 1c2k h ILE 242 N 0.22 1.23 0.00 3.11 3.07 -1.17 -2.38 117.51 121.59 1c2k h ILE 242 Ca 0.08 -0.67 -0.01 0.00 1.55 0.00 0.00 64.86 65.80 1c2k h ILE 242 Cb 0.34 0.37 -0.00 0.00 -0.27 0.00 0.00 36.82 37.26 1c2k h ILE 242 CO 0.01 0.28 -0.05 0.00 -1.05 0.00 0.00 178.15 177.33 1c2k h ALA 243 N 1.35 1.04 -0.32 0.16 0.00 -1.30 -2.97 119.26 117.22 1c2k h ALA 243 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1c2k h ALA 243 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1c2k h ALA 243 CO -0.03 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1c2k n SER 244 N -3.21 4.09 0.00 0.00 7.64 -0.91 -5.10 113.62 116.14 1c2k n SER 244 Ca -0.00 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1c2k n SER 244 Cb 0.29 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1c2k n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62