#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptc s VAL 17 N 0.00 5.13 0.00 1.39 1.01 0.13 -4.21 120.40 123.86 2ptc s VAL 17 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2ptc s VAL 17 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ptc s VAL 17 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2ptc n GLY 18 N 3.48 0.68 0.00 4.51 0.00 -1.18 -1.31 105.19 111.38 2ptc n GLY 18 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ptc n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ptc n GLY 19 N -2.62 0.92 3.20 -0.02 0.00 -1.26 -4.85 105.19 100.57 2ptc n GLY 19 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 2ptc n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ptc s TYR 20 N 1.25 1.08 -0.23 1.61 -0.85 -0.20 -4.93 117.35 115.09 2ptc s TYR 20 Ca 0.00 -1.22 -0.29 0.00 -0.52 0.00 0.00 57.07 55.04 2ptc s TYR 20 Cb 0.00 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.75 2ptc s TYR 20 CO 0.00 -0.47 1.11 0.99 -1.52 0.00 0.00 175.55 175.66 2ptc s THR 21 N -3.96 4.54 0.30 -3.49 2.01 -1.26 -0.50 115.64 113.27 2ptc s THR 21 Ca 0.29 1.84 -0.00 0.00 0.31 0.00 0.00 61.69 64.13 2ptc s THR 21 Cb 0.07 -4.24 0.27 0.00 0.01 0.00 0.00 72.50 68.61 2ptc s THR 21 CO 0.06 -0.22 1.94 0.00 -0.69 0.00 0.00 174.62 175.71 2ptc n GLY 23 N -1.40 2.32 3.74 0.00 0.00 -1.26 -4.81 105.19 103.78 2ptc n GLY 23 Ca 0.12 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2ptc n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptc s ALA 24 N -1.59 3.65 -1.67 4.61 0.00 -1.26 -3.23 121.76 122.27 2ptc s ALA 24 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2ptc s ALA 24 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2ptc s ALA 24 CO 0.00 -0.77 0.00 0.09 0.00 0.00 0.00 175.76 175.08 2ptc n ASN 25 N 2.42 -4.54 -0.07 0.00 3.02 -1.26 -4.85 115.26 109.97 2ptc n ASN 25 Ca 0.07 0.39 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 2ptc n ASN 25 Cb 0.40 -3.98 0.43 0.00 -0.61 0.00 0.00 39.78 36.02 2ptc n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ptc n THR 26 N -2.09 0.00 -3.46 3.41 -2.24 -1.20 -4.09 114.28 104.61 2ptc n THR 26 Ca -0.16 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 2ptc n THR 26 Cb 0.55 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 2ptc n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ptc n VAL 27 N -1.21 2.71 0.23 2.28 0.31 -1.26 -4.94 118.33 116.44 2ptc n VAL 27 Ca 0.09 -5.26 0.09 0.00 -0.01 0.00 0.00 64.34 59.26 2ptc n VAL 27 Cb 0.32 -2.14 0.43 0.00 -0.91 0.00 0.00 33.84 31.55 2ptc n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ptc n PRO 28 N 1.21 0.12 -0.12 5.55 -0.04 -1.26 -2.12 135.00 138.33 2ptc n PRO 28 Ca 0.27 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.35 2ptc n PRO 28 Cb 0.39 -1.81 0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2ptc n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2ptc n TYR 29 N -2.05 0.33 -2.65 0.54 0.18 -1.18 -2.05 117.16 110.27 2ptc n TYR 29 Ca 0.00 -0.20 -0.42 0.00 1.88 0.00 0.00 57.90 59.16 2ptc n TYR 29 Cb 0.09 -0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.02 2ptc n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2ptc s GLN 30 N -1.41 4.51 0.18 -3.48 2.00 -0.90 -0.61 119.66 119.95 2ptc s GLN 30 Ca 0.31 1.47 0.11 0.00 -2.00 0.00 0.00 55.36 55.25 2ptc s GLN 30 Cb 0.19 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.49 2ptc s GLN 30 CO 0.26 -0.15 -0.24 0.14 -0.50 0.00 0.00 175.29 174.80 2ptc s VAL 31 N 1.26 2.34 -0.14 1.34 -7.23 0.08 -4.53 120.40 113.52 2ptc s VAL 31 Ca 0.52 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 2ptc s VAL 31 Cb -0.22 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2ptc s VAL 31 CO 0.26 -0.09 0.10 -0.55 -0.31 0.00 0.00 175.10 174.51 2ptc s SER 32 N -2.59 6.05 -0.30 4.85 0.15 -0.54 -2.18 113.70 119.15 2ptc s SER 32 Ca 0.20 0.31 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 2ptc s SER 32 Cb -0.08 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2ptc s SER 32 CO 0.09 0.32 0.24 -0.76 1.20 0.00 0.00 173.24 174.33 2ptc s LEU 33 N -0.48 4.17 -0.08 3.45 1.43 0.74 -0.36 118.68 127.55 2ptc s LEU 33 Ca 0.11 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2ptc s LEU 33 Cb -0.12 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2ptc s LEU 33 CO 0.02 -0.14 -0.21 0.21 0.23 0.00 0.00 176.35 176.47 2ptc s ASN 34 N 1.73 3.43 -0.18 2.29 3.84 0.42 -1.70 114.94 124.78 2ptc s ASN 34 Ca 0.08 -0.43 0.21 0.00 0.21 0.00 0.00 52.86 52.94 2ptc s ASN 34 Cb -0.16 -1.09 0.47 0.00 -0.55 0.00 0.00 41.25 39.92 2ptc s ASN 34 CO 0.11 0.23 1.15 -0.24 -2.79 0.00 0.00 177.10 175.56 2ptc n SER 37 N 3.05 1.79 0.00 -4.21 2.88 -1.26 -0.35 113.62 115.51 2ptc n SER 37 Ca -0.18 -2.37 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2ptc n SER 37 Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2ptc n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ptc n GLY 38 N -0.30 2.62 3.54 0.46 0.00 -1.26 -5.02 105.19 105.24 2ptc n GLY 38 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2ptc n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ptc s TYR 39 N -2.51 -0.34 -0.25 1.61 1.13 -1.26 -5.12 117.35 110.61 2ptc s TYR 39 Ca 0.00 0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.53 2ptc s TYR 39 Cb 0.00 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 2ptc s TYR 39 CO 0.00 -0.67 1.72 -1.58 -2.51 0.00 0.00 175.55 172.51 2ptc s HIS 40 N -3.30 1.93 -0.02 -3.49 5.65 -1.26 -4.28 115.29 110.52 2ptc s HIS 40 Ca 0.06 0.52 0.06 0.00 0.25 0.00 0.00 55.06 55.95 2ptc s HIS 40 Cb -0.01 -4.05 -0.10 0.00 -1.18 0.00 0.00 32.58 27.24 2ptc s HIS 40 CO -0.08 -3.11 0.12 1.97 -0.65 0.00 0.00 174.74 173.00 2ptc n PHE 41 N 9.17 0.00 -3.70 3.88 1.16 -0.69 -4.98 117.46 122.30 2ptc n PHE 41 Ca 0.21 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.69 2ptc n PHE 41 Cb 0.46 -0.17 -0.03 0.00 -1.61 0.00 0.00 39.48 38.12 2ptc n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ptc s GLY 43 N -2.86 1.92 -0.00 0.00 0.00 0.13 -0.18 107.32 106.32 2ptc s GLY 43 Ca 0.08 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.62 2ptc s GLY 43 CO -0.03 -1.75 1.13 -0.32 0.00 0.00 0.00 173.10 172.13 2ptc s GLY 44 N -4.54 -0.35 -0.06 0.20 0.00 -0.93 -3.78 107.32 97.87 2ptc s GLY 44 Ca 0.54 0.77 0.05 0.00 0.00 0.00 0.00 44.72 46.07 2ptc s GLY 44 CO 0.34 0.20 -0.21 -0.56 0.00 0.00 0.00 173.10 172.86 2ptc s SER 45 N -2.74 2.70 -0.36 1.64 0.01 -0.55 -0.74 113.70 113.65 2ptc s SER 45 Ca 0.11 -0.46 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 2ptc s SER 45 Cb 0.01 -0.89 0.02 0.00 0.21 0.00 0.00 66.02 65.37 2ptc s SER 45 CO -0.03 0.18 1.02 -0.22 0.41 0.00 0.00 173.24 174.60 2ptc s LEU 46 N 0.07 3.92 -0.12 2.44 2.96 0.21 -0.43 118.68 127.73 2ptc s LEU 46 Ca -0.08 0.78 0.17 0.00 -0.22 0.00 0.00 54.13 54.79 2ptc s LEU 46 Cb -0.14 -3.43 -0.24 0.00 0.50 0.00 0.00 46.19 42.88 2ptc s LEU 46 CO 0.04 -0.92 0.32 2.30 -1.32 0.00 0.00 176.35 176.77 2ptc n ILE 47 N 6.04 1.24 -3.04 6.68 -5.35 -0.41 -0.29 119.36 124.23 2ptc n ILE 47 Ca 0.10 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2ptc n ILE 47 Cb 0.48 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 2ptc n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2ptc n ASN 48 N -2.76 0.00 0.25 7.28 2.04 -1.17 -4.39 115.26 116.51 2ptc n ASN 48 Ca -0.24 -0.70 0.17 0.00 -0.44 0.00 0.00 54.58 53.37 2ptc n ASN 48 Cb 1.03 0.00 0.78 0.00 -2.53 0.00 0.00 39.78 39.06 2ptc n ASN 48 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2ptc h SER 49 N 0.00 0.00 0.00 0.53 4.64 -1.96 -2.96 113.55 113.81 2ptc h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ptc h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ptc h SER 49 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2ptc n GLN 50 N -2.79 -0.61 -4.85 4.77 6.02 -1.26 -0.44 117.38 118.22 2ptc n GLN 50 Ca -0.00 -0.43 -0.27 0.00 -0.01 0.00 0.00 57.00 56.29 2ptc n GLN 50 Cb 0.19 -0.93 -0.17 0.00 1.02 0.00 0.00 30.24 30.36 2ptc n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2ptc s TRP 51 N -0.03 1.86 -0.05 1.08 0.52 -1.12 -0.91 118.94 120.29 2ptc s TRP 51 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 56.10 55.50 2ptc s TRP 51 Cb 0.00 -1.29 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 2ptc s TRP 51 CO 0.00 -0.29 -0.23 0.08 0.02 0.00 0.00 176.95 176.53 2ptc s VAL 52 N 0.41 2.27 -0.04 4.03 1.01 -0.03 -1.29 120.40 126.76 2ptc s VAL 52 Ca -0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 2ptc s VAL 52 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2ptc s VAL 52 CO 0.05 0.57 0.01 0.54 0.00 0.00 0.00 175.10 176.28 2ptc s VAL 53 N -0.35 4.32 0.00 2.92 0.11 0.42 -0.39 120.40 127.43 2ptc s VAL 53 Ca 0.02 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2ptc s VAL 53 Cb -0.12 -2.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2ptc s VAL 53 CO 0.02 0.49 0.00 -0.24 -3.33 0.00 0.00 175.10 172.04 2ptc n SER 54 N 1.74 0.00 -4.88 3.54 2.88 0.12 -1.48 113.62 115.54 2ptc n SER 54 Ca -0.16 -0.27 -0.34 0.00 -1.33 0.00 0.00 58.87 56.77 2ptc n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2ptc n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ptc s ALA 55 N -1.49 3.74 0.41 -1.46 0.00 -1.26 -1.15 121.76 120.55 2ptc s ALA 55 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.63 2ptc s ALA 55 Cb 0.00 -2.23 0.88 0.00 0.00 0.00 0.00 23.12 21.77 2ptc s ALA 55 CO 0.00 0.59 1.98 0.00 0.00 0.00 0.00 175.76 178.34 2ptc h ALA 56 N 3.45 1.62 0.00 0.00 0.00 -1.75 -2.39 119.26 120.20 2ptc h ALA 56 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2ptc h ALA 56 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ptc h ALA 56 CO 0.68 0.28 0.00 -2.39 0.00 0.00 0.00 179.25 177.82 2ptc n HIS 57 N -4.36 0.00 1.73 0.00 1.44 -1.26 -1.95 115.22 110.82 2ptc n HIS 57 Ca -0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 2ptc n HIS 57 Cb 0.20 -0.44 0.63 0.00 0.12 0.00 0.00 29.99 30.50 2ptc n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ptc n TYR 59 N -0.41 2.43 -4.32 0.00 4.19 -0.83 -4.98 117.16 113.24 2ptc n TYR 59 Ca 0.19 -0.30 -0.17 0.00 3.31 0.00 0.00 57.90 60.93 2ptc n TYR 59 Cb 0.20 -2.78 -0.10 0.00 0.49 0.00 0.00 39.34 37.15 2ptc n TYR 59 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2ptc s LYS 60 N 4.62 1.31 0.65 2.98 1.02 -1.26 -5.16 119.74 123.90 2ptc s LYS 60 Ca 0.91 -1.65 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 2ptc s LYS 60 Cb -0.47 -0.65 0.05 0.00 -0.52 0.00 0.00 37.83 36.24 2ptc s LYS 60 CO 0.43 -0.06 0.94 -1.54 -0.92 0.00 0.00 175.35 174.20 2ptc s SER 61 N -3.29 5.02 -1.44 2.83 1.04 -1.26 -4.32 113.70 112.27 2ptc s SER 61 Ca 0.27 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 57.00 2ptc s SER 61 Cb 0.05 -1.11 0.04 0.00 0.10 0.00 0.00 66.02 65.10 2ptc s SER 61 CO 0.08 -1.42 0.67 0.61 0.98 0.00 0.00 173.24 174.15 2ptc n GLY 62 N -2.73 -0.33 3.74 7.32 0.00 -1.26 -4.95 105.19 106.98 2ptc n GLY 62 Ca 0.08 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2ptc n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ptc s ILE 63 N -3.65 3.95 -0.11 -0.61 1.01 -1.26 -4.61 121.20 115.92 2ptc s ILE 63 Ca 0.24 1.77 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 2ptc s ILE 63 Cb -0.12 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 2ptc s ILE 63 CO 0.86 0.34 -0.02 -1.58 0.00 0.00 0.00 174.94 174.54 2ptc s GLN 64 N -0.67 3.18 -0.13 2.79 0.74 0.52 -2.49 119.66 123.61 2ptc s GLN 64 Ca 0.46 -0.47 -0.13 0.00 0.05 0.00 0.00 55.36 55.28 2ptc s GLN 64 Cb -0.28 -2.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 2ptc s GLN 64 CO 0.35 0.54 0.29 0.08 -0.55 0.00 0.00 175.29 175.99 2ptc s VAL 65 N -0.45 5.29 -0.21 1.34 1.01 0.46 -0.44 120.40 127.41 2ptc s VAL 65 Ca 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 2ptc s VAL 65 Cb -0.12 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2ptc s VAL 65 CO 0.02 0.45 -0.07 -0.13 0.00 0.00 0.00 175.10 175.37 2ptc s ARG 66 N 0.02 3.32 0.08 2.72 0.52 0.52 -0.98 118.95 125.15 2ptc s ARG 66 Ca 0.17 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2ptc s ARG 66 Cb -0.13 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2ptc s ARG 66 CO 0.05 -0.18 0.03 -0.51 0.02 0.00 0.00 175.30 174.72 2ptc s LEU 67 N 1.39 3.62 -1.09 2.53 1.02 -0.43 -1.46 118.68 124.25 2ptc s LEU 67 Ca 0.05 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.11 2ptc s LEU 67 Cb -0.14 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2ptc s LEU 67 CO -0.04 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.12 2ptc n GLY 69 N 0.58 0.40 3.80 -3.19 0.00 -1.26 -0.99 105.19 104.52 2ptc n GLY 69 Ca -0.10 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 2ptc n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ptc s GLU 70 N -4.00 4.42 0.00 1.61 0.41 -1.26 -4.06 118.70 115.81 2ptc s GLU 70 Ca 0.00 1.12 0.00 0.00 -0.41 0.00 0.00 54.97 55.68 2ptc s GLU 70 Cb 0.00 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 2ptc s GLU 70 CO 0.00 0.31 0.00 -3.47 -0.49 0.00 0.00 175.26 171.61 2ptc n ASP 71 N 0.54 0.00 -4.59 -0.19 2.03 -1.26 -4.69 116.55 108.39 2ptc n ASP 71 Ca 0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2ptc n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 2ptc n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2ptc s ASN 72 N -0.40 6.35 0.00 1.67 3.84 -1.25 -3.43 114.94 121.72 2ptc s ASN 72 Ca 0.00 0.39 0.30 0.00 0.21 0.00 0.00 52.86 53.76 2ptc s ASN 72 Cb 0.00 -2.55 1.51 0.00 -0.55 0.00 0.00 41.25 39.66 2ptc s ASN 72 CO 0.00 -1.50 2.05 2.30 -2.79 0.00 0.00 177.10 177.16 2ptc n ILE 73 N 6.86 0.00 0.78 -5.21 -5.35 -0.21 -2.92 119.36 113.31 2ptc n ILE 73 Ca 0.12 -0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.70 2ptc n ILE 73 Cb 0.49 -0.49 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 2ptc n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2ptc n ASN 74 N -1.29 0.77 -4.10 7.28 3.02 -1.26 -4.98 115.26 114.70 2ptc n ASN 74 Ca 0.14 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 2ptc n ASN 74 Cb 0.25 1.17 -0.11 0.00 -0.61 0.00 0.00 39.78 40.48 2ptc n ASN 74 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2ptc s VAL 75 N -3.11 0.53 -0.45 2.41 -7.23 -1.15 -5.11 120.40 106.28 2ptc s VAL 75 Ca 0.05 -1.46 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 2ptc s VAL 75 Cb 0.16 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 36.05 2ptc s VAL 75 CO 0.87 -0.64 0.82 -0.69 -0.31 0.00 0.00 175.10 175.16 2ptc s VAL 76 N -2.48 4.60 -1.14 1.32 1.01 -1.26 -4.78 120.40 117.67 2ptc s VAL 76 Ca -0.01 0.51 0.23 0.00 0.00 0.00 0.00 61.98 62.71 2ptc s VAL 76 Cb -0.03 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 2ptc s VAL 76 CO -0.03 -0.75 1.13 -0.62 0.00 0.00 0.00 175.10 174.83 2ptc n GLU 77 N 6.84 0.16 -0.41 2.72 1.02 -1.26 -4.99 120.64 124.71 2ptc n GLU 77 Ca 0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2ptc n GLU 77 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2ptc n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ptc n GLY 78 N 1.48 0.77 0.20 0.62 0.00 -1.26 -4.95 105.19 102.05 2ptc n GLY 78 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2ptc n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ptc n ASN 79 N 0.00 1.18 -4.82 1.61 5.03 -1.26 -5.06 115.26 111.94 2ptc n ASN 79 Ca 0.00 -1.09 -0.33 0.00 0.87 0.00 0.00 54.58 54.03 2ptc n ASN 79 Cb 0.00 0.33 -0.06 0.00 -1.02 0.00 0.00 39.78 39.04 2ptc n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2ptc s GLU 80 N -0.95 4.10 -0.16 3.52 8.01 -1.26 -4.43 118.70 127.53 2ptc s GLU 80 Ca 0.07 1.09 -0.01 0.00 0.01 0.00 0.00 54.97 56.12 2ptc s GLU 80 Cb 0.06 -2.16 0.04 0.00 -4.31 0.00 0.00 34.13 27.76 2ptc s GLU 80 CO 0.15 -0.14 -0.04 -0.65 0.01 0.00 0.00 175.26 174.59 2ptc s GLN 81 N -3.47 1.26 -0.44 1.61 -0.21 -0.17 -4.98 119.66 113.27 2ptc s GLN 81 Ca 0.61 -0.46 -0.16 0.00 0.02 0.00 0.00 55.36 55.38 2ptc s GLN 81 Cb -0.10 -1.93 0.04 0.00 1.00 0.00 0.00 33.01 32.02 2ptc s GLN 81 CO 0.19 -0.45 0.40 -0.06 -2.12 0.00 0.00 175.29 173.25 2ptc s PHE 82 N 1.69 3.20 -0.07 0.91 2.99 -1.26 -1.31 117.98 124.12 2ptc s PHE 82 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 56.93 56.37 2ptc s PHE 82 Cb -0.15 -2.93 -0.00 0.00 0.00 0.00 0.00 43.02 39.94 2ptc s PHE 82 CO -0.07 -0.72 -0.20 0.42 -0.00 0.00 0.00 175.22 174.64 2ptc s ILE 83 N 1.90 1.73 0.58 0.64 1.01 -0.16 -4.98 121.20 121.92 2ptc s ILE 83 Ca 0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2ptc s ILE 83 Cb -0.20 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2ptc s ILE 83 CO 0.10 0.49 1.04 -0.44 0.00 0.00 0.00 174.94 176.13 2ptc s SER 84 N 0.22 5.97 -0.06 3.58 0.01 -1.26 -0.40 113.70 121.76 2ptc s SER 84 Ca -0.11 1.75 -0.26 0.00 1.31 0.00 0.00 55.95 58.64 2ptc s SER 84 Cb -0.15 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2ptc s SER 84 CO 0.05 -1.04 0.80 0.00 0.41 0.00 0.00 173.24 173.46 2ptc s ALA 85 N -2.51 3.30 0.03 1.44 0.00 -1.04 0.29 121.76 123.27 2ptc s ALA 85 Ca 0.62 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.85 2ptc s ALA 85 Cb -0.15 -3.10 -0.25 0.00 0.00 0.00 0.00 23.12 19.62 2ptc s ALA 85 CO 0.36 -0.20 0.95 0.66 0.00 0.00 0.00 175.76 177.53 2ptc h SER 86 N 6.83 0.23 -5.03 0.00 4.64 -0.85 -3.44 113.55 115.93 2ptc h SER 86 Ca -0.40 -0.31 -0.14 0.00 -0.47 0.00 0.00 61.79 60.48 2ptc h SER 86 Cb 1.20 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 63.02 2ptc h SER 86 CO 0.76 1.26 -0.53 -0.54 -0.87 0.00 0.00 176.83 176.91 2ptc s LYS 87 N -2.64 0.52 -0.16 4.77 1.02 -1.20 -5.01 119.74 117.05 2ptc s LYS 87 Ca -0.05 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 2ptc s LYS 87 Cb 0.08 0.21 0.05 0.00 -0.52 0.00 0.00 37.83 37.65 2ptc s LYS 87 CO 0.84 -0.13 0.06 -1.12 -0.92 0.00 0.00 175.35 174.08 2ptc s SER 88 N -1.77 2.36 -0.34 2.83 0.01 -1.26 0.26 113.70 115.80 2ptc s SER 88 Ca -0.10 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 2ptc s SER 88 Cb -0.05 -0.38 0.07 0.00 0.21 0.00 0.00 66.02 65.87 2ptc s SER 88 CO -0.02 -0.31 0.07 -0.63 0.41 0.00 0.00 173.24 172.76 2ptc s ILE 89 N 2.02 3.01 0.22 1.44 1.01 0.20 -4.97 121.20 124.13 2ptc s ILE 89 Ca 0.01 -1.68 -0.21 0.00 0.00 0.00 0.00 60.65 58.78 2ptc s ILE 89 Cb -0.16 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.35 2ptc s ILE 89 CO -0.08 -0.33 0.74 -0.69 0.00 0.00 0.00 174.94 174.59 2ptc s VAL 90 N 1.19 4.53 0.18 2.92 1.01 -1.26 -0.73 120.40 128.23 2ptc s VAL 90 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2ptc s VAL 90 Cb -0.21 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 2ptc s VAL 90 CO -0.03 0.23 1.35 -2.28 0.00 0.00 0.00 175.10 174.37 2ptc s HIS 91 N -1.50 3.23 0.56 5.22 2.46 -0.26 -4.86 115.29 120.14 2ptc s HIS 91 Ca 0.43 1.12 0.29 0.00 0.47 0.00 0.00 55.06 57.37 2ptc s HIS 91 Cb -0.17 -3.65 1.47 0.00 -0.13 0.00 0.00 32.58 30.10 2ptc s HIS 91 CO 0.22 -2.11 1.93 -1.35 -2.47 0.00 0.00 174.74 170.96 2ptc h PRO 92 N 5.74 0.00 -0.48 2.88 0.10 -1.93 -0.69 132.00 137.61 2ptc h PRO 92 Ca -0.44 0.00 -0.10 0.00 0.10 0.00 0.00 66.00 65.56 2ptc h PRO 92 Cb 1.21 0.00 -0.06 0.00 0.10 0.00 0.00 31.00 32.26 2ptc h PRO 92 CO 0.80 0.00 0.08 0.43 0.10 0.00 0.00 178.00 179.41 2ptc n SER 93 N -4.03 4.33 -4.67 -2.05 7.64 -1.26 -4.99 113.62 108.59 2ptc n SER 93 Ca 0.11 -3.17 -0.44 0.00 1.01 0.00 0.00 58.87 56.38 2ptc n SER 93 Cb 0.71 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 2ptc n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ptc n TYR 94 N -0.29 2.48 -3.64 1.43 4.19 -0.27 -4.67 117.16 116.38 2ptc n TYR 94 Ca 0.31 -0.23 -0.39 0.00 3.31 0.00 0.00 57.90 60.90 2ptc n TYR 94 Cb 1.13 -2.75 -0.12 0.00 0.49 0.00 0.00 39.34 38.10 2ptc n TYR 94 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2ptc s ASN 95 N 4.01 5.60 0.19 2.98 3.84 -0.12 -4.98 114.94 126.46 2ptc s ASN 95 Ca 0.89 -0.54 0.26 0.00 0.21 0.00 0.00 52.86 53.68 2ptc s ASN 95 Cb -0.52 -2.01 0.87 0.00 -0.55 0.00 0.00 41.25 39.04 2ptc s ASN 95 CO 0.44 -0.21 1.78 -1.54 -2.79 0.00 0.00 177.10 174.79 2ptc n SER 96 N 4.99 0.70 0.00 -4.21 3.41 -1.26 0.28 113.62 117.53 2ptc n SER 96 Ca -0.14 0.58 -0.19 0.00 -0.26 0.00 0.00 58.87 58.86 2ptc n SER 96 Cb 0.49 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 2ptc n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2ptc h ASN 97 N 0.00 0.32 0.19 4.04 2.35 -1.98 -3.39 115.58 117.11 2ptc h ASN 97 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 2ptc h ASN 97 Cb 0.67 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2ptc h ASN 97 CO 0.00 1.39 -1.08 0.35 -1.65 0.00 0.00 177.43 176.44 2ptc n THR 98 N -4.19 0.05 -1.31 2.81 -2.24 -1.18 -4.95 114.28 103.27 2ptc n THR 98 Ca -0.17 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2ptc n THR 98 Cb 0.77 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 2ptc n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ptc n LEU 99 N -1.73 -0.74 -4.74 3.22 4.77 0.14 -4.97 117.00 112.95 2ptc n LEU 99 Ca 0.03 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 2ptc n LEU 99 Cb 0.39 -1.82 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 2ptc n LEU 99 CO 0.42 -0.61 0.89 0.21 -1.33 0.00 0.00 177.39 176.97 2ptc s ASN 100 N -2.80 7.06 -0.88 -1.43 3.04 -1.21 -3.20 114.94 115.52 2ptc s ASN 100 Ca 0.00 2.28 -0.02 0.00 0.04 0.00 0.00 52.86 55.16 2ptc s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 2ptc s ASN 100 CO 0.00 -0.38 0.75 0.59 -3.04 0.00 0.00 177.10 175.01 2ptc n ASN 101 N 2.33 -3.03 -3.91 -4.21 3.02 -1.26 -0.95 115.26 107.25 2ptc n ASN 101 Ca 0.04 -0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 2ptc n ASN 101 Cb 0.44 -3.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.86 2ptc n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ptc n ASP 102 N -2.23 3.69 -3.75 6.41 -0.08 -1.19 -4.24 116.55 115.16 2ptc n ASP 102 Ca -0.14 -2.81 -0.12 0.00 -1.51 0.00 0.00 54.79 50.21 2ptc n ASP 102 Cb 0.59 -1.56 -0.12 0.00 2.34 0.00 0.00 41.12 42.38 2ptc n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2ptc s ILE 103 N 4.32 -0.02 -0.06 5.18 2.07 -1.26 -3.96 121.20 127.47 2ptc s ILE 103 Ca 0.52 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.69 2ptc s ILE 103 Cb 0.11 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.30 2ptc s ILE 103 CO 0.00 0.02 0.30 -0.32 -1.91 0.00 0.00 174.94 173.03 2ptc s MET 104 N 0.66 0.51 -0.09 3.50 -2.45 -0.30 -1.10 119.30 120.04 2ptc s MET 104 Ca -0.04 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.50 2ptc s MET 104 Cb -0.05 0.23 -0.02 0.00 1.25 0.00 0.00 34.83 36.24 2ptc s MET 104 CO -0.04 -0.11 -0.12 -0.51 1.05 0.00 0.00 175.02 175.29 2ptc s LEU 105 N -0.62 2.85 -0.17 4.11 1.43 0.09 0.11 118.68 126.47 2ptc s LEU 105 Ca -0.07 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2ptc s LEU 105 Cb -0.04 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2ptc s LEU 105 CO 0.02 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.07 2ptc s ILE 106 N -0.25 1.88 -0.23 -0.59 1.01 0.47 0.61 121.20 124.10 2ptc s ILE 106 Ca 0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 2ptc s ILE 106 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2ptc s ILE 106 CO 0.03 0.48 0.39 -0.75 0.00 0.00 0.00 174.94 175.09 2ptc s LYS 107 N 1.36 4.12 0.37 2.79 2.20 0.14 -0.85 119.74 129.87 2ptc s LYS 107 Ca 0.04 0.15 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 2ptc s LYS 107 Cb -0.13 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.52 2ptc s LYS 107 CO -0.12 -0.12 1.07 -0.51 -0.36 0.00 0.00 175.35 175.32 2ptc s LEU 108 N 1.57 4.24 0.39 5.43 1.43 -0.09 -0.26 118.68 131.39 2ptc s LEU 108 Ca 0.18 2.13 0.10 0.00 -1.03 0.00 0.00 54.13 55.50 2ptc s LEU 108 Cb -0.15 -4.04 0.87 0.00 0.03 0.00 0.00 46.19 42.90 2ptc s LEU 108 CO 0.08 -0.44 1.95 0.11 0.23 0.00 0.00 176.35 178.28 2ptc h LYS 109 N 2.81 0.59 -4.23 1.70 1.57 -0.45 -3.41 116.57 115.15 2ptc h LYS 109 Ca -0.48 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.14 2ptc h LYS 109 Cb 1.22 -0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.24 2ptc h LYS 109 CO 0.63 0.39 -0.66 -1.54 -0.57 0.00 0.00 179.45 177.71 2ptc s SER 110 N -6.13 0.45 0.21 0.86 1.04 -1.26 -4.94 113.70 103.92 2ptc s SER 110 Ca -0.09 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 2ptc s SER 110 Cb 0.20 0.22 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 2ptc s SER 110 CO 0.77 -0.62 1.14 0.00 0.98 0.00 0.00 173.24 175.51 2ptc s ALA 111 N -3.93 3.41 0.74 5.32 0.00 -1.26 -4.83 121.76 121.20 2ptc s ALA 111 Ca 0.09 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 2ptc s ALA 111 Cb 0.08 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.87 2ptc s ALA 111 CO -0.09 -0.27 1.14 0.00 0.00 0.00 0.00 175.76 176.54 2ptc s ALA 112 N -0.38 2.19 -0.29 0.00 0.00 0.42 -4.99 121.76 118.70 2ptc s ALA 112 Ca 0.50 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.85 2ptc s ALA 112 Cb -0.31 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2ptc s ALA 112 CO 0.37 -1.74 0.61 -1.54 0.00 0.00 0.00 175.76 173.46 2ptc s SER 113 N -2.60 6.50 -0.22 0.00 1.04 -1.26 -4.86 113.70 112.29 2ptc s SER 113 Ca 0.68 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 57.29 2ptc s SER 113 Cb -0.23 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ptc s SER 113 CO 0.48 -0.44 1.18 -0.76 0.98 0.00 0.00 173.24 174.67 2ptc s LEU 114 N 2.55 4.09 0.00 2.42 1.43 -1.26 -4.79 118.68 123.12 2ptc s LEU 114 Ca 0.25 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 2ptc s LEU 114 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2ptc s LEU 114 CO 0.11 -0.78 0.00 -0.46 0.23 0.00 0.00 176.35 175.44 2ptc n ASN 115 N 6.67 0.00 0.02 2.29 0.23 -0.44 -5.00 115.26 119.03 2ptc n ASN 115 Ca 0.13 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.11 2ptc n ASN 115 Cb 0.46 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.04 2ptc n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2ptc h SER 116 N 0.00 0.00 1.22 0.53 4.64 -2.00 -3.31 113.55 114.63 2ptc h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ptc h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ptc h SER 116 CO 0.00 0.94 -0.40 0.03 -0.87 0.00 0.00 176.83 176.53 2ptc h ARG 117 N 0.00 0.00 -3.12 4.77 2.47 -1.94 -3.44 114.38 113.13 2ptc h ARG 117 Ca -0.16 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.02 2ptc h ARG 117 Cb 1.86 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.78 2ptc h ARG 117 CO 0.09 0.00 -0.77 0.08 0.56 0.00 0.00 179.97 179.94 2ptc s VAL 118 N -3.18 0.25 0.09 2.04 1.01 -1.24 -4.27 120.40 115.11 2ptc s VAL 118 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2ptc s VAL 118 Cb 0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2ptc s VAL 118 CO 0.69 -0.60 -0.07 0.00 0.00 0.00 0.00 175.10 175.11 2ptc s ALA 119 N 1.95 0.96 0.42 5.51 0.00 -0.87 -1.33 121.76 128.39 2ptc s ALA 119 Ca 0.07 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.82 2ptc s ALA 119 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2ptc s ALA 119 CO -0.27 -0.20 0.51 -1.54 0.00 0.00 0.00 175.76 174.26 2ptc s SER 120 N -2.88 5.48 -0.06 0.00 1.04 -1.26 -3.11 113.70 112.91 2ptc s SER 120 Ca 0.10 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2ptc s SER 120 Cb 0.03 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 2ptc s SER 120 CO -0.04 -0.72 -0.10 -0.51 0.98 0.00 0.00 173.24 172.86 2ptc s ILE 121 N -2.38 3.46 0.23 -1.02 1.10 0.60 -4.83 121.20 118.37 2ptc s ILE 121 Ca 0.53 -0.57 -0.30 0.00 -0.51 0.00 0.00 60.65 59.80 2ptc s ILE 121 Cb -0.08 -2.40 -0.09 0.00 0.15 0.00 0.00 42.46 40.05 2ptc s ILE 121 CO 0.31 0.60 1.15 -0.44 -2.11 0.00 0.00 174.94 174.45 2ptc s SER 122 N -0.78 7.16 0.48 4.50 0.01 -1.26 -4.60 113.70 119.22 2ptc s SER 122 Ca 0.12 2.26 -0.22 0.00 1.31 0.00 0.00 55.95 59.42 2ptc s SER 122 Cb -0.11 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 2ptc s SER 122 CO 0.01 -0.27 1.13 -0.76 0.41 0.00 0.00 173.24 173.76 2ptc s LEU 123 N -0.84 3.93 0.67 2.44 1.43 -1.26 -1.11 118.68 123.94 2ptc s LEU 123 Ca 0.49 2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 2ptc s LEU 123 Cb -0.32 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.54 2ptc s LEU 123 CO 0.39 -0.96 1.11 -2.16 0.23 0.00 0.00 176.35 174.97 2ptc s PRO 124 N -2.89 2.75 -0.19 1.29 0.04 -1.26 -4.80 135.00 129.94 2ptc s PRO 124 Ca 0.66 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2ptc s PRO 124 Cb -0.26 -1.95 -0.21 0.00 0.04 0.00 0.00 34.50 32.13 2ptc s PRO 124 CO 0.31 -1.28 0.08 0.25 0.04 0.00 0.00 177.00 176.39 2ptc n THR 125 N -2.52 1.63 -4.54 1.26 -2.24 -1.26 -4.96 114.28 101.66 2ptc n THR 125 Ca 0.10 -0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 2ptc n THR 125 Cb 0.52 -1.68 -0.11 0.00 -2.10 0.00 0.00 70.33 66.96 2ptc n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ptc s SER 127 N -6.89 3.26 0.33 3.42 1.04 -1.26 -5.10 113.70 108.49 2ptc s SER 127 Ca -0.29 -1.34 -0.27 0.00 0.48 0.00 0.00 55.95 54.53 2ptc s SER 127 Cb 0.08 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.84 2ptc s SER 127 CO 0.66 -0.46 1.10 0.00 0.98 0.00 0.00 173.24 175.52 2ptc s ALA 129 N -1.33 2.61 0.28 0.00 0.00 -1.26 -5.06 121.76 117.00 2ptc s ALA 129 Ca 0.50 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.12 2ptc s ALA 129 Cb -0.29 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2ptc s ALA 129 CO 0.37 -0.98 0.46 -1.54 0.00 0.00 0.00 175.76 174.07 2ptc s SER 130 N -2.25 6.33 0.19 0.00 1.04 -1.26 -5.04 113.70 112.71 2ptc s SER 130 Ca 0.69 0.33 -0.32 0.00 0.48 0.00 0.00 55.95 57.13 2ptc s SER 130 Cb -0.21 -1.98 -0.15 0.00 0.10 0.00 0.00 66.02 63.78 2ptc s SER 130 CO 0.34 -0.17 1.19 0.00 0.98 0.00 0.00 173.24 175.58 2ptc n ALA 132 N -1.41 -0.40 -0.24 5.32 0.00 -1.26 -1.31 120.51 121.22 2ptc n ALA 132 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2ptc n ALA 132 Cb 0.56 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2ptc n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ptc n GLY 133 N 1.97 1.17 3.69 0.00 0.00 0.76 -4.95 105.19 107.83 2ptc n GLY 133 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ptc n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ptc s THR 134 N -2.75 3.08 -0.12 2.61 2.01 -0.42 -4.71 115.64 115.33 2ptc s THR 134 Ca 0.00 0.54 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 2ptc s THR 134 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 2ptc s THR 134 CO 0.00 0.00 0.72 -1.10 -0.69 0.00 0.00 174.62 173.55 2ptc s GLN 135 N 2.53 4.35 0.31 4.92 -0.21 -1.26 -0.16 119.66 130.14 2ptc s GLN 135 Ca 0.73 0.85 0.10 0.00 0.02 0.00 0.00 55.36 57.06 2ptc s GLN 135 Cb -0.39 -3.51 -0.06 0.00 1.00 0.00 0.00 33.01 30.05 2ptc s GLN 135 CO 0.32 -0.10 -0.13 0.00 -2.12 0.00 0.00 175.29 173.25 2ptc s LEU 137 N -3.55 3.36 -0.20 0.00 2.96 -0.54 -1.33 118.68 119.37 2ptc s LEU 137 Ca 0.31 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2ptc s LEU 137 Cb -0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2ptc s LEU 137 CO 0.15 -0.05 0.01 -0.63 -1.32 0.00 0.00 176.35 174.51 2ptc s ILE 138 N 1.56 4.01 0.14 6.68 1.01 0.03 -1.59 121.20 133.04 2ptc s ILE 138 Ca 0.06 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.48 2ptc s ILE 138 Cb -0.15 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2ptc s ILE 138 CO 0.02 0.43 -0.16 -0.94 0.00 0.00 0.00 174.94 174.29 2ptc s SER 139 N 0.99 2.25 0.00 3.58 1.04 -1.21 -0.94 113.70 119.41 2ptc s SER 139 Ca 0.02 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2ptc s SER 139 Cb -0.14 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2ptc s SER 139 CO 0.02 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2ptc n GLY 140 N 0.43 0.90 1.71 7.32 0.00 -0.17 -4.47 105.19 110.92 2ptc n GLY 140 Ca -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.01 2ptc n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2ptc n TRP 141 N -0.33 1.94 -2.17 1.61 8.01 -1.26 -2.13 117.44 123.11 2ptc n TRP 141 Ca 0.00 -0.89 -0.18 0.00 -1.31 0.00 0.00 57.50 55.12 2ptc n TRP 141 Cb 0.00 -0.52 0.10 0.00 -2.01 0.00 0.00 31.31 28.89 2ptc n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ptc n GLY 142 N 0.17 -0.11 3.66 6.99 0.00 -1.26 -4.41 105.19 110.24 2ptc n GLY 142 Ca 0.30 -1.89 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 2ptc n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ptc n ASN 143 N -3.19 2.49 -0.80 1.61 2.85 0.50 -3.17 115.26 115.56 2ptc n ASN 143 Ca 0.11 1.15 0.09 0.00 -0.11 0.00 0.00 54.58 55.82 2ptc n ASN 143 Cb 0.40 -1.40 0.13 0.00 1.24 0.00 0.00 39.78 40.16 2ptc n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2ptc n THR 144 N 1.55 0.37 -4.60 -0.44 -2.24 0.58 -1.51 114.28 107.99 2ptc n THR 144 Ca 0.11 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 2ptc n THR 144 Cb 0.31 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.46 2ptc n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ptc s LYS 145 N -1.28 3.21 0.07 -0.78 -0.14 -1.26 -4.35 119.74 115.21 2ptc s LYS 145 Ca 0.26 -0.58 -0.15 0.00 -1.36 0.00 0.00 55.97 54.14 2ptc s LYS 145 Cb 0.16 -2.70 -0.16 0.00 -1.68 0.00 0.00 37.83 33.45 2ptc s LYS 145 CO 0.23 0.41 1.28 0.77 -0.76 0.00 0.00 175.35 177.28 2ptc h SER 146 N 6.10 0.78 -3.40 2.83 0.02 -1.92 -3.41 113.55 114.55 2ptc h SER 146 Ca -0.37 -0.62 -0.49 0.00 -0.84 0.00 0.00 61.79 59.47 2ptc h SER 146 Cb 1.19 -0.23 -0.34 0.00 0.14 0.00 0.00 62.40 63.16 2ptc h SER 146 CO 0.57 1.27 -0.80 -0.44 -1.14 0.00 0.00 176.83 176.28 2ptc s SER 147 N -6.85 1.60 0.00 3.07 0.01 -1.26 -4.65 113.70 105.62 2ptc s SER 147 Ca -0.12 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2ptc s SER 147 Cb 0.07 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.58 2ptc s SER 147 CO 0.86 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.11 2ptc n GLY 148 N 4.04 -2.09 2.67 3.44 0.00 -1.26 -5.03 105.19 106.97 2ptc n GLY 148 Ca -0.22 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.49 2ptc n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ptc s THR 149 N -0.30 -0.10 -0.28 2.61 2.01 -1.26 -4.69 115.64 113.62 2ptc s THR 149 Ca 0.00 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2ptc s THR 149 Cb 0.00 -0.16 0.16 0.00 0.01 0.00 0.00 72.50 72.51 2ptc s THR 149 CO 0.00 0.18 0.42 -0.55 -0.69 0.00 0.00 174.62 173.99 2ptc s SER 150 N 2.16 0.10 -0.22 3.53 0.15 -1.26 -4.95 113.70 113.22 2ptc s SER 150 Ca 0.05 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.49 2ptc s SER 150 Cb -0.12 1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 65.38 2ptc s SER 150 CO -0.03 -0.33 0.23 -0.31 1.20 0.00 0.00 173.24 174.00 2ptc s TYR 151 N 2.58 3.36 0.74 3.44 2.02 -1.26 -0.31 117.35 127.92 2ptc s TYR 151 Ca 0.11 0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 57.09 2ptc s TYR 151 Cb -0.13 -2.33 0.05 0.00 -0.40 0.00 0.00 41.96 39.15 2ptc s TYR 151 CO -0.25 0.09 1.10 -1.25 -1.57 0.00 0.00 175.55 173.67 2ptc s PRO 152 N 0.97 2.35 -0.16 -1.71 0.04 -1.26 -5.00 135.00 130.22 2ptc s PRO 152 Ca 0.12 0.14 -0.19 0.00 0.04 0.00 0.00 61.00 61.10 2ptc s PRO 152 Cb -0.13 -2.04 -0.23 0.00 0.04 0.00 0.00 34.50 32.14 2ptc s PRO 152 CO 0.04 -1.29 0.39 -0.44 0.04 0.00 0.00 177.00 175.74 2ptc h ASP 153 N -0.78 0.16 -2.63 6.66 3.32 -1.94 -3.47 116.42 117.74 2ptc h ASP 153 Ca -0.45 -0.72 -0.47 0.00 0.02 0.00 0.00 57.03 55.42 2ptc h ASP 153 Cb 1.30 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.81 2ptc h ASP 153 CO 0.64 1.52 -0.21 0.68 -1.72 0.00 0.00 179.24 180.15 2ptc s VAL 154 N -2.40 4.80 0.17 -1.35 -7.23 -1.26 -1.04 120.40 112.08 2ptc s VAL 154 Ca -0.24 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 2ptc s VAL 154 Cb 0.05 -3.74 -0.08 0.00 0.56 0.00 0.00 36.38 33.17 2ptc s VAL 154 CO 0.67 -0.45 1.19 -0.22 -0.31 0.00 0.00 175.10 175.98 2ptc s LEU 155 N -4.31 4.44 -0.07 1.32 2.96 -1.22 -4.84 118.68 116.95 2ptc s LEU 155 Ca 0.41 2.19 -0.01 0.00 -0.22 0.00 0.00 54.13 56.51 2ptc s LEU 155 Cb -0.10 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2ptc s LEU 155 CO 0.35 -0.37 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.45 2ptc s LYS 156 N -0.06 2.90 0.09 1.98 1.02 -0.90 -1.59 119.74 123.17 2ptc s LYS 156 Ca 0.53 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 56.14 2ptc s LYS 156 Cb -0.32 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2ptc s LYS 156 CO 0.35 0.69 -0.21 0.00 -0.92 0.00 0.00 175.35 175.26 2ptc s LEU 158 N -1.81 -0.19 -0.28 0.00 2.96 -0.11 -1.03 118.68 118.21 2ptc s LEU 158 Ca 0.06 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 54.69 2ptc s LEU 158 Cb -0.10 1.30 -0.03 0.00 0.50 0.00 0.00 46.19 47.87 2ptc s LEU 158 CO 0.04 -0.20 0.45 -0.54 -1.32 0.00 0.00 176.35 174.78 2ptc s LYS 159 N 1.67 3.96 -0.02 1.98 1.02 -1.25 -0.79 119.74 126.31 2ptc s LYS 159 Ca -0.08 0.10 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 2ptc s LYS 159 Cb -0.09 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2ptc s LYS 159 CO -0.12 -0.37 0.06 0.00 -0.92 0.00 0.00 175.35 173.99 2ptc s ALA 160 N 2.21 -0.14 0.38 5.17 0.00 -0.44 -4.95 121.76 123.99 2ptc s ALA 160 Ca 0.18 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2ptc s ALA 160 Cb -0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2ptc s ALA 160 CO 0.10 -0.04 0.61 -1.25 0.00 0.00 0.00 175.76 175.18 2ptc s PRO 161 N -0.07 3.51 -0.01 0.00 0.04 -1.26 -0.37 135.00 136.84 2ptc s PRO 161 Ca -0.01 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.57 2ptc s PRO 161 Cb -0.01 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 2ptc s PRO 161 CO 0.00 0.06 1.17 0.42 0.04 0.00 0.00 177.00 178.70 2ptc s ILE 162 N -2.40 4.25 0.48 0.56 1.01 0.78 -1.93 121.20 123.95 2ptc s ILE 162 Ca 0.42 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.63 2ptc s ILE 162 Cb -0.10 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 2ptc s ILE 162 CO 0.38 0.05 0.77 -0.76 0.00 0.00 0.00 174.94 175.38 2ptc s LEU 163 N 1.69 3.60 0.27 2.97 1.43 0.14 -0.17 118.68 128.61 2ptc s LEU 163 Ca 0.56 0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 54.16 2ptc s LEU 163 Cb -0.26 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 2ptc s LEU 163 CO 0.25 -0.64 0.93 -0.94 0.23 0.00 0.00 176.35 176.17 2ptc s SER 164 N -4.14 7.49 0.50 2.29 1.04 -1.26 -4.57 113.70 115.04 2ptc s SER 164 Ca 0.48 1.87 0.29 0.00 0.48 0.00 0.00 55.95 59.07 2ptc s SER 164 Cb -0.10 -2.58 1.39 0.00 0.10 0.00 0.00 66.02 64.82 2ptc s SER 164 CO 0.43 0.06 1.84 -0.78 0.98 0.00 0.00 173.24 175.77 2ptc h ASP 165 N 3.72 0.13 -0.08 7.02 -0.00 -1.97 0.60 116.42 125.85 2ptc h ASP 165 Ca -0.46 0.02 -0.18 0.00 -0.00 0.00 0.00 57.03 56.42 2ptc h ASP 165 Cb 1.20 -0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.54 2ptc h ASP 165 CO 0.67 0.03 -0.64 0.28 -0.00 0.00 0.00 179.24 179.58 2ptc h SER 166 N 0.12 0.69 0.37 2.28 0.02 -1.99 -1.44 113.55 113.60 2ptc h SER 166 Ca 0.50 -0.68 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 2ptc h SER 166 Cb 1.77 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 2ptc h SER 166 CO -0.08 1.27 -0.48 0.77 -1.14 0.00 0.00 176.83 177.17 2ptc h SER 167 N 0.18 0.14 -0.58 3.07 4.64 -1.70 -0.99 113.55 118.31 2ptc h SER 167 Ca -0.06 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2ptc h SER 167 Cb 1.29 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2ptc h SER 167 CO 0.13 0.60 0.18 0.00 -0.87 0.00 0.00 176.83 176.87 2ptc h LYS 169 N 0.82 0.00 -0.12 0.00 1.57 -0.89 -0.19 116.57 117.75 2ptc h LYS 169 Ca 0.19 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.74 2ptc h LYS 169 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2ptc h LYS 169 CO -0.01 0.23 -0.81 0.77 -0.57 0.00 0.00 179.45 179.06 2ptc h SER 170 N 0.00 0.93 -0.45 0.86 0.02 -0.77 -2.17 113.55 111.96 2ptc h SER 170 Ca -0.00 -0.65 -0.07 0.00 -0.84 0.00 0.00 61.79 60.23 2ptc h SER 170 Cb 0.92 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2ptc h SER 170 CO 0.03 1.44 0.04 0.00 -1.14 0.00 0.00 176.83 177.20 2ptc h ALA 171 N 0.52 1.11 -2.50 3.77 0.00 -0.40 -3.36 119.26 118.39 2ptc h ALA 171 Ca -0.07 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 2ptc h ALA 171 Cb 1.45 -0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 2ptc h ALA 171 CO 0.17 0.58 -0.84 0.66 0.00 0.00 0.00 179.25 179.81 2ptc n TYR 172 N -4.23 0.79 -1.67 0.00 4.02 -0.11 -4.95 117.16 111.01 2ptc n TYR 172 Ca 0.03 -3.71 -0.46 0.00 -0.01 0.00 0.00 57.90 53.74 2ptc n TYR 172 Cb 0.28 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 2ptc n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2ptc n PRO 173 N 2.18 2.17 -1.03 -0.72 -0.02 -0.82 -2.52 135.00 134.24 2ptc n PRO 173 Ca 0.26 0.78 -0.01 0.00 -2.02 0.00 0.00 63.50 62.51 2ptc n PRO 173 Cb 0.44 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2ptc n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ptc n GLY 174 N 3.60 0.49 0.00 -1.23 0.00 -1.26 -4.87 105.19 101.92 2ptc n GLY 174 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2ptc n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ptc n GLN 175 N -2.60 1.34 -3.92 1.61 6.02 -1.05 -5.03 117.38 113.75 2ptc n GLN 175 Ca -0.01 -0.17 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 2ptc n GLN 175 Cb 0.08 -0.59 -0.09 0.00 1.02 0.00 0.00 30.24 30.66 2ptc n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ptc s ILE 176 N -0.24 5.07 0.52 5.09 -1.09 -1.25 -5.05 121.20 124.25 2ptc s ILE 176 Ca 0.00 0.06 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 2ptc s ILE 176 Cb 0.00 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.66 2ptc s ILE 176 CO 0.00 0.49 0.48 0.35 -1.23 0.00 0.00 174.94 175.03 2ptc n THR 177 N 3.22 0.00 0.97 2.92 -2.24 -1.26 -5.00 114.28 112.88 2ptc n THR 177 Ca -0.17 -1.99 0.12 0.00 -2.27 0.00 0.00 64.05 59.74 2ptc n THR 177 Cb 0.53 -0.18 0.55 0.00 -2.10 0.00 0.00 70.33 69.13 2ptc n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ptc n SER 178 N -1.98 0.00 -1.38 3.42 3.41 -1.26 -2.13 113.62 113.70 2ptc n SER 178 Ca 0.03 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 58.98 2ptc n SER 178 Cb 0.58 -0.40 0.32 0.00 -0.26 0.00 0.00 64.21 64.45 2ptc n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ptc n ASN 179 N -1.40 4.18 -4.58 4.04 3.02 -1.26 -4.93 115.26 114.32 2ptc n ASN 179 Ca 0.08 -2.17 -0.27 0.00 -0.03 0.00 0.00 54.58 52.19 2ptc n ASN 179 Cb 0.24 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 2ptc n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ptc s MET 180 N -1.33 2.11 0.24 3.52 -1.94 -0.90 -0.38 119.30 120.62 2ptc s MET 180 Ca 0.48 -1.24 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 2ptc s MET 180 Cb 0.27 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 2ptc s MET 180 CO 0.29 0.44 0.18 -0.59 -0.01 0.00 0.00 175.02 175.32 2ptc s PHE 181 N -1.70 1.35 -0.02 -0.03 -0.12 0.92 -4.80 117.98 113.58 2ptc s PHE 181 Ca 0.25 -1.47 0.07 0.00 -0.05 0.00 0.00 56.93 55.73 2ptc s PHE 181 Cb -0.09 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2ptc s PHE 181 CO 0.16 -0.71 -0.23 0.00 -0.05 0.00 0.00 175.22 174.39 2ptc s ALA 183 N -0.66 0.02 0.00 0.00 0.00 -0.87 0.24 121.76 120.49 2ptc s ALA 183 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2ptc s ALA 183 Cb -0.10 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2ptc s ALA 183 CO -0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2ptc n GLY 184 N 1.72 0.46 2.85 0.00 0.00 -0.81 -3.00 105.19 106.40 2ptc n GLY 184 Ca -0.23 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 2ptc n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ptc s TYR 184 N -0.92 1.19 -0.62 1.61 1.51 -1.26 -4.29 117.35 114.58 2ptc s TYR 184 Ca 0.00 -0.58 0.20 0.00 -1.01 0.00 0.00 57.07 55.68 2ptc s TYR 184 Cb 0.00 -1.08 0.85 0.00 -0.11 0.00 0.00 41.96 41.63 2ptc s TYR 184 CO 0.00 -0.47 1.61 1.28 -1.11 0.00 0.00 175.55 176.86 2ptc n LEU 185 N 5.01 0.45 0.06 -1.29 7.99 -1.26 -1.37 117.00 126.59 2ptc n LEU 185 Ca -0.10 0.62 0.13 0.00 -0.01 0.00 0.00 56.01 56.65 2ptc n LEU 185 Cb 0.50 -0.57 0.40 0.00 -0.11 0.00 0.00 43.42 43.63 2ptc n LEU 185 CO 0.14 -0.51 0.78 -1.84 -1.51 0.00 0.00 177.39 174.45 2ptc n GLU 186 N -2.01 0.19 0.00 3.23 0.28 -1.26 0.60 120.64 121.67 2ptc n GLU 186 Ca 0.02 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2ptc n GLU 186 Cb 0.19 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2ptc n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ptc n GLY 187 N 1.37 -0.34 2.45 -1.84 0.00 -0.47 -4.33 105.19 102.03 2ptc n GLY 187 Ca 0.05 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2ptc n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ptc n GLY 188 N -0.45 3.00 2.92 -0.02 0.00 0.06 -4.91 105.19 105.79 2ptc n GLY 188 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ptc n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptc s LYS 188 N -0.24 1.60 0.17 1.61 1.02 -1.26 -3.13 119.74 119.52 2ptc s LYS 188 Ca 0.00 -0.54 -0.24 0.00 0.02 0.00 0.00 55.97 55.21 2ptc s LYS 188 Cb 0.00 -2.03 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 2ptc s LYS 188 CO 0.00 -0.40 1.01 0.34 -0.92 0.00 0.00 175.35 175.38 2ptc s ASP 189 N 1.59 -0.08 0.27 2.83 3.68 -0.42 -4.44 116.67 120.11 2ptc s ASP 189 Ca 0.01 -0.54 0.00 0.00 2.13 0.00 0.00 52.55 54.15 2ptc s ASP 189 Cb -0.15 0.49 -0.04 0.00 -1.45 0.00 0.00 42.92 41.77 2ptc s ASP 189 CO -0.08 -0.94 0.46 -0.94 0.13 0.00 0.00 175.17 173.80 2ptc s SER 190 N -3.17 6.35 0.36 -0.34 1.04 -1.26 0.21 113.70 116.88 2ptc s SER 190 Ca 0.17 0.40 -0.00 0.00 0.48 0.00 0.00 55.95 57.00 2ptc s SER 190 Cb -0.02 -2.01 -0.00 0.00 0.10 0.00 0.00 66.02 64.09 2ptc s SER 190 CO 0.04 -0.16 0.46 0.00 0.98 0.00 0.00 173.24 174.56 2ptc n GLN 192 N -0.60 0.60 0.00 0.00 3.00 -1.26 -1.07 117.38 118.05 2ptc n GLN 192 Ca 0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2ptc n GLN 192 Cb 0.61 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 29.05 2ptc n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ptc n GLY 193 N 3.34 1.81 0.13 1.08 0.00 -1.26 -0.37 105.19 109.91 2ptc n GLY 193 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2ptc n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ptc h ASP 194 N 0.85 0.00 -1.43 1.61 3.45 -1.42 -3.35 116.42 116.13 2ptc h ASP 194 Ca 0.00 0.00 -0.69 0.00 0.43 0.00 0.00 57.03 56.77 2ptc h ASP 194 Cb 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 38.85 2ptc h ASP 194 CO 0.00 0.24 -0.02 -1.20 -1.57 0.00 0.00 179.24 176.68 2ptc n SER 195 N -2.88 0.22 0.00 6.45 7.64 -1.26 -2.07 113.62 121.72 2ptc n SER 195 Ca -0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2ptc n SER 195 Cb 0.66 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2ptc n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ptc n GLY 196 N 1.84 3.08 3.81 0.23 0.00 -0.45 0.18 105.19 113.86 2ptc n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2ptc n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ptc s GLY 197 N -2.07 1.62 0.43 -0.02 0.00 -0.88 -3.28 107.32 103.11 2ptc s GLY 197 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.22 2ptc s GLY 197 CO 0.00 0.18 1.08 2.56 0.00 0.00 0.00 173.10 176.92 2ptc s PRO 198 N -5.19 4.01 -0.33 2.90 0.04 -1.26 -0.34 135.00 134.82 2ptc s PRO 198 Ca 0.61 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2ptc s PRO 198 Cb -0.14 -2.46 0.09 0.00 0.04 0.00 0.00 34.50 32.04 2ptc s PRO 198 CO 0.54 -0.29 0.04 0.08 0.04 0.00 0.00 177.00 177.40 2ptc s VAL 199 N -1.66 2.34 -0.30 -0.36 1.01 -0.39 -3.36 120.40 117.69 2ptc s VAL 199 Ca 0.60 -2.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.29 2ptc s VAL 199 Cb -0.23 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2ptc s VAL 199 CO 0.29 -0.52 0.10 -0.69 0.00 0.00 0.00 175.10 174.28 2ptc s VAL 200 N 0.95 4.15 -0.25 2.92 1.01 -0.62 -0.99 120.40 127.56 2ptc s VAL 200 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2ptc s VAL 200 Cb -0.19 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.10 2ptc s VAL 200 CO -0.07 0.09 -0.08 0.00 0.00 0.00 0.00 175.10 175.03 2ptc n SER 202 N 4.58 -1.60 0.00 0.00 7.64 -1.26 -2.15 113.62 120.84 2ptc n SER 202 Ca -0.16 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2ptc n SER 202 Cb 0.45 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 2ptc n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ptc n GLY 203 N -1.48 0.84 3.43 0.23 0.00 -1.26 -4.98 105.19 101.97 2ptc n GLY 203 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2ptc n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptc s LYS 204 N -0.15 1.88 -0.72 1.61 1.02 -0.91 -4.02 119.74 118.45 2ptc s LYS 204 Ca 0.00 -1.09 -0.25 0.00 0.02 0.00 0.00 55.97 54.65 2ptc s LYS 204 Cb 0.00 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.26 2ptc s LYS 204 CO 0.00 0.51 1.17 -1.17 -0.92 0.00 0.00 175.35 174.94 2ptc s LEU 209 N -1.60 3.62 0.02 3.17 2.96 -0.27 -0.83 118.68 125.75 2ptc s LEU 209 Ca 0.14 -0.68 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 2ptc s LEU 209 Cb -0.10 -2.51 -0.23 0.00 0.50 0.00 0.00 46.19 43.84 2ptc s LEU 209 CO 0.05 -1.68 0.89 1.56 -1.32 0.00 0.00 176.35 175.85 2ptc h GLN 210 N 9.85 0.05 -4.09 1.98 1.08 -1.39 -3.38 115.11 119.21 2ptc h GLN 210 Ca -0.27 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 56.72 2ptc h GLN 210 Cb 1.06 0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 28.38 2ptc h GLN 210 CO 1.25 0.79 -0.54 0.20 -0.95 0.00 0.00 178.83 179.58 2ptc s GLY 211 N -4.97 0.43 -0.12 3.46 0.00 -0.74 -1.38 107.32 104.00 2ptc s GLY 211 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.66 2ptc s GLY 211 CO 0.83 -1.11 -0.16 -0.42 0.00 0.00 0.00 173.10 172.24 2ptc s ILE 212 N -3.93 1.55 -0.15 0.90 1.01 -0.98 -1.26 121.20 118.34 2ptc s ILE 212 Ca 0.10 -0.66 -0.35 0.00 0.00 0.00 0.00 60.65 59.74 2ptc s ILE 212 Cb 0.06 -1.42 -0.12 0.00 0.01 0.00 0.00 42.46 41.00 2ptc s ILE 212 CO -0.07 0.45 1.91 0.52 0.00 0.00 0.00 174.94 177.75 2ptc n VAL 213 N 4.28 0.50 0.00 2.92 0.31 0.54 -1.56 118.33 125.32 2ptc n VAL 213 Ca -0.19 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2ptc n VAL 213 Cb 0.51 -1.80 -0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2ptc n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2ptc n SER 214 N 7.03 0.05 -3.20 4.52 2.88 -0.99 -1.35 113.62 122.56 2ptc n SER 214 Ca 0.25 0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.68 2ptc n SER 214 Cb 0.27 -0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 2ptc n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2ptc s TRP 215 N -1.05 0.58 -0.05 0.66 1.48 -0.68 -4.93 118.94 114.95 2ptc s TRP 215 Ca -0.00 -1.01 -0.25 0.00 -1.06 0.00 0.00 56.10 53.77 2ptc s TRP 215 Cb 0.00 0.34 0.08 0.00 -1.16 0.00 0.00 33.47 32.73 2ptc s TRP 215 CO 0.00 -1.30 1.13 0.41 -4.06 0.00 0.00 176.95 173.13 2ptc n GLY 216 N -0.53 0.20 3.35 3.67 0.00 -1.26 -0.51 105.19 110.10 2ptc n GLY 216 Ca -0.03 -1.00 -0.46 0.00 0.00 0.00 0.00 46.02 44.53 2ptc n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ptc s SER 217 N -3.49 6.55 0.72 1.61 0.15 -1.26 -4.91 113.70 113.07 2ptc s SER 217 Ca 0.27 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.68 2ptc s SER 217 Cb -0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2ptc s SER 217 CO -0.02 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2ptc n GLY 219 N 4.63 0.78 2.88 9.45 0.00 -1.26 -4.60 105.19 117.07 2ptc n GLY 219 Ca 0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 2ptc n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptc n ALA 221 N 3.34 -0.53 -1.78 0.00 0.00 -1.26 -4.71 120.51 115.57 2ptc n ALA 221 Ca -0.17 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 2ptc n ALA 221 Cb 0.57 -1.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 2ptc n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ptc s GLN 221 N -4.43 4.33 0.20 0.00 -0.21 -1.26 -0.76 119.66 117.53 2ptc s GLN 221 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 55.36 56.50 2ptc s GLN 221 Cb 0.00 -2.61 -0.08 0.00 1.00 0.00 0.00 33.01 31.31 2ptc s GLN 221 CO 0.00 0.02 1.24 0.21 -2.12 0.00 0.00 175.29 174.64 2ptc s LYS 222 N -2.38 4.46 -0.31 2.91 2.20 -1.26 -2.81 119.74 122.54 2ptc s LYS 222 Ca 0.55 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 2ptc s LYS 222 Cb -0.20 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2ptc s LYS 222 CO 0.25 -0.14 0.00 0.09 -0.36 0.00 0.00 175.35 175.20 2ptc n ASN 223 N 2.40 -4.72 -3.57 1.43 3.02 0.20 -4.92 115.26 109.10 2ptc n ASN 223 Ca 0.04 0.07 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 2ptc n ASN 223 Cb 0.44 -2.48 -0.11 0.00 -0.61 0.00 0.00 39.78 37.02 2ptc n ASN 223 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ptc s LYS 224 N -1.63 1.34 0.90 3.52 1.02 -1.12 -4.70 119.74 119.07 2ptc s LYS 224 Ca 0.00 -2.39 -0.11 0.00 0.02 0.00 0.00 55.97 53.49 2ptc s LYS 224 Cb 0.00 -2.05 0.13 0.00 -0.52 0.00 0.00 37.83 35.40 2ptc s LYS 224 CO 0.00 -1.33 1.09 -1.25 -0.92 0.00 0.00 175.35 172.95 2ptc s PRO 225 N -0.26 1.22 0.55 -1.68 0.04 -1.26 -4.40 135.00 129.21 2ptc s PRO 225 Ca 0.28 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 2ptc s PRO 225 Cb -0.03 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2ptc s PRO 225 CO -0.16 -2.32 1.25 0.20 0.04 0.00 0.00 177.00 176.02 2ptc s GLY 226 N -3.22 2.80 -0.15 0.56 0.00 -1.16 -4.65 107.32 101.50 2ptc s GLY 226 Ca 0.64 1.10 -0.04 0.00 0.00 0.00 0.00 44.72 46.42 2ptc s GLY 226 CO 0.58 1.55 -0.01 0.14 0.00 0.00 0.00 173.10 175.36 2ptc s VAL 227 N -1.48 4.18 0.06 1.40 1.01 0.33 -2.05 120.40 123.86 2ptc s VAL 227 Ca 0.73 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2ptc s VAL 227 Cb -0.33 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2ptc s VAL 227 CO 0.38 0.51 -0.17 -0.31 0.00 0.00 0.00 175.10 175.50 2ptc s TYR 228 N 0.14 1.49 0.02 5.22 2.02 -0.08 -1.68 117.35 124.48 2ptc s TYR 228 Ca 0.01 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 2ptc s TYR 228 Cb -0.13 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 2ptc s TYR 228 CO 0.02 0.09 1.29 0.99 -1.57 0.00 0.00 175.55 176.37 2ptc s THR 229 N -0.99 3.89 -1.14 -0.71 2.01 -0.60 -0.06 115.64 118.04 2ptc s THR 229 Ca 0.03 1.31 -0.21 0.00 0.31 0.00 0.00 61.69 63.13 2ptc s THR 229 Cb -0.09 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.61 2ptc s THR 229 CO 0.02 0.05 1.69 -0.75 -0.69 0.00 0.00 174.62 174.94 2ptc s LYS 230 N 1.74 3.46 0.43 4.92 2.20 0.49 -2.32 119.74 130.65 2ptc s LYS 230 Ca 0.60 -1.36 0.15 0.00 -0.36 0.00 0.00 55.97 55.00 2ptc s LYS 230 Cb -0.30 -5.38 1.03 0.00 -1.51 0.00 0.00 37.83 31.67 2ptc s LYS 230 CO 0.27 -2.63 1.94 0.28 -0.36 0.00 0.00 175.35 174.85 2ptc h VAL 231 N 6.29 0.83 0.00 4.02 2.07 -1.52 -2.28 116.25 125.67 2ptc h VAL 231 Ca 0.29 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2ptc h VAL 231 Cb 0.95 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2ptc h VAL 231 CO 1.38 0.08 -0.00 0.00 0.02 0.00 0.00 177.57 179.05 2ptc n ASN 233 N -3.44 0.00 -0.14 0.00 4.13 -0.86 -3.90 115.26 111.05 2ptc n ASN 233 Ca -0.03 0.45 0.06 0.00 1.68 0.00 0.00 54.58 56.73 2ptc n ASN 233 Cb 0.09 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 37.81 2ptc n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2ptc n TYR 234 N -1.48 0.00 -0.28 3.10 4.01 0.10 -4.83 117.16 117.78 2ptc n TYR 234 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2ptc n TYR 234 Cb 0.27 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.46 2ptc n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ptc h VAL 235 N 0.70 0.91 -0.24 -0.72 2.07 -1.67 0.98 116.25 118.28 2ptc h VAL 235 Ca 0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2ptc h VAL 235 Cb 0.34 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2ptc h VAL 235 CO 0.00 0.14 0.07 0.28 0.02 0.00 0.00 177.57 178.08 2ptc h SER 236 N 0.76 0.36 -0.64 0.57 0.02 -1.89 -0.03 113.55 112.69 2ptc h SER 236 Ca 0.38 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ptc h SER 236 Cb 0.34 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2ptc h SER 236 CO -0.24 0.47 0.33 -0.25 -1.14 0.00 0.00 176.83 176.00 2ptc h TRP 237 N 0.22 0.92 -0.03 3.45 7.01 -1.66 -1.34 115.95 124.52 2ptc h TRP 237 Ca 0.08 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2ptc h TRP 237 Cb 0.25 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2ptc h TRP 237 CO 0.01 0.66 -0.08 0.82 -2.79 0.00 0.00 178.44 177.05 2ptc h ILE 238 N 0.93 1.47 -0.97 2.65 2.04 -0.44 -0.67 117.51 122.53 2ptc h ILE 238 Ca 0.23 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.64 2ptc h ILE 238 Cb 0.08 2.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 2ptc h ILE 238 CO -0.03 0.41 0.62 0.11 0.00 0.00 0.00 178.15 179.26 2ptc h LYS 239 N -0.47 1.10 0.01 2.37 1.57 -0.84 0.13 116.57 120.44 2ptc h LYS 239 Ca -0.00 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.51 2ptc h LYS 239 Cb 0.71 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2ptc h LYS 239 CO 0.02 0.73 -0.90 0.37 -0.57 0.00 0.00 179.45 179.10 2ptc h GLN 240 N 1.13 0.13 -0.31 3.15 5.75 -1.24 -2.12 115.11 121.61 2ptc h GLN 240 Ca 0.42 -0.15 -0.17 0.00 -0.15 0.00 0.00 58.65 58.59 2ptc h GLN 240 Cb 0.15 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 2ptc h GLN 240 CO -0.17 0.94 -0.48 1.15 -2.65 0.00 0.00 178.83 177.62 2ptc h THR 241 N 0.07 1.28 -0.80 2.39 2.02 -0.49 -2.55 112.91 114.83 2ptc h THR 241 Ca -0.04 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 2ptc h THR 241 Cb 1.55 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 2ptc h THR 241 CO 0.13 0.54 0.47 0.40 0.37 0.00 0.00 175.52 177.44 2ptc h ILE 242 N 0.66 1.23 0.00 3.11 5.03 -0.79 -2.91 117.51 123.83 2ptc h ILE 242 Ca 0.03 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 2ptc h ILE 242 Cb 1.09 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 2ptc h ILE 242 CO 0.11 0.24 0.00 0.00 -0.68 0.00 0.00 178.15 177.82 2ptc h ALA 243 N 1.25 1.00 -0.16 1.87 0.00 -1.25 -3.20 119.26 118.77 2ptc h ALA 243 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2ptc h ALA 243 Cb -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2ptc h ALA 243 CO -0.05 0.00 -0.23 -1.13 0.00 0.00 0.00 179.25 177.84 2ptc n SER 244 N -3.04 2.26 0.00 0.00 3.41 -0.97 -5.09 113.62 110.18 2ptc n SER 244 Ca 0.03 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 2ptc n SER 244 Cb 0.42 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2ptc n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47