#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bty s VAL 17 N 0.00 3.81 -0.90 1.39 1.01 0.47 -4.00 120.40 122.18 1bty s VAL 17 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1bty s VAL 17 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1bty s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1bty n GLY 18 N 3.27 0.25 0.00 4.51 0.00 -1.25 -1.27 105.19 110.70 1bty n GLY 18 Ca -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1bty n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bty n GLY 19 N -1.20 2.38 3.25 -0.02 0.00 -1.26 -4.88 105.19 103.47 1bty n GLY 19 Ca -0.11 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1bty n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bty s TYR 20 N 1.68 1.26 -0.16 1.61 1.13 0.27 -4.92 117.35 118.22 1bty s TYR 20 Ca 0.00 -1.11 -0.29 0.00 -1.41 0.00 0.00 57.07 54.26 1bty s TYR 20 Cb 0.00 -0.72 -0.01 0.00 -1.10 0.00 0.00 41.96 40.13 1bty s TYR 20 CO 0.00 -0.30 1.23 0.99 -2.51 0.00 0.00 175.55 174.96 1bty s THR 21 N -3.76 4.32 0.12 -3.49 2.01 -1.26 -0.26 115.64 113.32 1bty s THR 21 Ca 0.29 1.60 -0.20 0.00 0.31 0.00 0.00 61.69 63.69 1bty s THR 21 Cb 0.07 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1bty s THR 21 CO 0.07 -0.12 1.74 0.00 -0.69 0.00 0.00 174.62 175.62 1bty n GLY 23 N -1.16 3.22 3.66 0.00 0.00 -1.26 -4.84 105.19 104.81 1bty n GLY 23 Ca -0.03 -1.59 -0.47 0.00 0.00 0.00 0.00 46.02 43.93 1bty n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bty n ALA 24 N 0.21 0.94 -2.80 4.61 0.00 -1.26 -2.54 120.51 119.68 1bty n ALA 24 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.69 1bty n ALA 24 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1bty n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bty n ASN 25 N 3.82 -4.29 -0.22 0.00 4.13 -1.26 -4.86 115.26 112.58 1bty n ASN 25 Ca 0.18 -0.06 0.13 0.00 1.68 0.00 0.00 54.58 56.51 1bty n ASN 25 Cb 0.27 -3.58 0.38 0.00 -1.54 0.00 0.00 39.78 35.32 1bty n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1bty n THR 26 N -3.76 0.00 -3.51 3.41 -2.24 -1.05 -4.25 114.28 102.88 1bty n THR 26 Ca -0.11 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 1bty n THR 26 Cb 0.60 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 1bty n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bty n VAL 27 N -0.74 0.85 0.33 2.28 0.31 -1.26 -4.99 118.33 115.11 1bty n VAL 27 Ca 0.12 -4.53 0.14 0.00 -0.01 0.00 0.00 64.34 60.06 1bty n VAL 27 Cb 0.34 -2.01 0.61 0.00 -0.91 0.00 0.00 33.84 31.87 1bty n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1bty h PRO 28 N 4.77 0.00 -0.02 5.55 0.13 -1.78 -1.71 132.00 138.94 1bty h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bty h PRO 28 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1bty h PRO 28 CO 0.64 0.00 -0.08 2.48 -0.23 0.00 0.00 178.00 180.80 1bty n TYR 29 N -2.53 0.00 -2.48 1.56 0.18 -1.18 -2.45 117.16 110.27 1bty n TYR 29 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 1bty n TYR 29 Cb 0.21 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.12 1bty n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1bty s GLN 30 N -2.12 4.50 0.25 -3.48 2.00 -0.65 -1.25 119.66 118.92 1bty s GLN 30 Ca 0.31 1.73 0.09 0.00 -2.00 0.00 0.00 55.36 55.49 1bty s GLN 30 Cb 0.20 -3.33 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 1bty s GLN 30 CO 0.37 -0.12 -0.15 0.14 -0.50 0.00 0.00 175.29 175.04 1bty s VAL 31 N 0.56 2.00 -0.09 1.34 -7.23 -0.66 -4.47 120.40 111.86 1bty s VAL 31 Ca 0.55 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1bty s VAL 31 Cb -0.29 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1bty s VAL 31 CO 0.31 -0.46 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.88 1bty s SER 32 N -3.42 3.32 -0.25 4.85 0.15 -0.16 -2.60 113.70 115.59 1bty s SER 32 Ca 0.27 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 1bty s SER 32 Cb -0.01 -1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1bty s SER 32 CO 0.11 0.19 0.26 -0.76 1.20 0.00 0.00 173.24 174.24 1bty s LEU 33 N 0.16 4.09 -0.08 3.45 1.43 0.35 -0.53 118.68 127.55 1bty s LEU 33 Ca -0.12 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1bty s LEU 33 Cb -0.16 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1bty s LEU 33 CO 0.07 -0.04 -0.23 0.21 0.23 0.00 0.00 176.35 176.59 1bty s ASN 34 N 1.33 3.22 -0.35 2.29 3.84 0.15 -1.65 114.94 123.78 1bty s ASN 34 Ca 0.11 -0.50 0.13 0.00 0.21 0.00 0.00 52.86 52.82 1bty s ASN 34 Cb -0.15 -1.14 0.45 0.00 -0.55 0.00 0.00 41.25 39.87 1bty s ASN 34 CO 0.08 0.21 1.05 -1.54 -2.79 0.00 0.00 177.10 174.11 1bty n SER 37 N 3.19 2.95 0.00 -4.21 3.41 -1.26 -1.09 113.62 116.62 1bty n SER 37 Ca -0.18 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1bty n SER 37 Cb 0.52 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1bty n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bty n GLY 38 N -0.35 1.86 3.56 5.00 0.00 -1.26 -5.00 105.19 109.00 1bty n GLY 38 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1bty n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bty s TYR 39 N -2.34 -0.35 0.08 1.61 -0.85 -1.26 -5.14 117.35 109.10 1bty s TYR 39 Ca 0.00 0.13 -0.31 0.00 -0.52 0.00 0.00 57.07 56.37 1bty s TYR 39 Cb 0.00 0.58 -0.06 0.00 0.38 0.00 0.00 41.96 42.86 1bty s TYR 39 CO 0.00 -0.76 1.20 -1.58 -1.52 0.00 0.00 175.55 172.89 1bty s HIS 40 N -3.43 3.44 0.00 -3.49 5.65 -1.26 -4.25 115.29 111.95 1bty s HIS 40 Ca 0.06 1.31 0.00 0.00 0.25 0.00 0.00 55.06 56.68 1bty s HIS 40 Cb -0.02 -3.42 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 1bty s HIS 40 CO -0.07 -1.28 0.00 1.97 -0.65 0.00 0.00 174.74 174.72 1bty n PHE 41 N 3.71 0.00 -3.54 3.88 1.16 -0.66 -4.97 117.46 117.04 1bty n PHE 41 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.57 1bty n PHE 41 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1bty n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bty n GLY 43 N -0.34 2.11 3.83 0.00 0.00 -0.01 -0.49 105.19 110.28 1bty n GLY 43 Ca -0.11 -2.24 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 1bty n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bty s GLY 44 N -4.64 -0.14 -0.03 -0.02 0.00 -1.07 -3.76 107.32 97.65 1bty s GLY 44 Ca 0.57 0.11 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1bty s GLY 44 CO 0.36 2.40 -0.12 -0.56 0.00 0.00 0.00 173.10 175.18 1bty s SER 45 N -3.35 1.56 -0.23 1.64 0.01 -0.23 -1.66 113.70 111.44 1bty s SER 45 Ca 0.21 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.95 1bty s SER 45 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1bty s SER 45 CO 0.01 0.10 0.94 -0.22 0.41 0.00 0.00 173.24 174.49 1bty s LEU 46 N 0.09 4.10 0.00 2.44 2.96 -0.38 -1.09 118.68 126.81 1bty s LEU 46 Ca -0.02 1.24 0.16 0.00 -0.22 0.00 0.00 54.13 55.28 1bty s LEU 46 Cb -0.09 -3.38 -0.17 0.00 0.50 0.00 0.00 46.19 43.04 1bty s LEU 46 CO 0.01 -0.59 0.70 2.30 -1.32 0.00 0.00 176.35 177.45 1bty n ILE 47 N 5.25 0.00 -3.75 6.68 -5.35 -0.64 -1.23 119.36 120.32 1bty n ILE 47 Ca 0.09 -0.12 -0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1bty n ILE 47 Cb 0.47 1.00 -0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1bty n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1bty s ASN 48 N -2.53 -0.08 0.64 7.28 2.20 -1.23 -4.59 114.94 116.63 1bty s ASN 48 Ca 0.06 -0.33 0.34 0.00 -0.94 0.00 0.00 52.86 51.99 1bty s ASN 48 Cb 0.12 0.33 1.86 0.00 -2.00 0.00 0.00 41.25 41.56 1bty s ASN 48 CO 0.67 -0.63 2.10 0.77 -2.94 0.00 0.00 177.10 177.07 1bty h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -3.10 113.55 118.68 1bty h SER 49 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1bty h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1bty h SER 49 CO 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1bty n GLN 50 N -3.26 0.35 -4.50 4.77 6.02 -1.26 -0.81 117.38 118.69 1bty n GLN 50 Ca -0.01 -0.75 -0.20 0.00 -0.01 0.00 0.00 57.00 56.03 1bty n GLN 50 Cb 0.29 -0.93 -0.15 0.00 1.02 0.00 0.00 30.24 30.48 1bty n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1bty s TRP 51 N -0.30 1.07 0.04 1.08 0.52 -1.17 -0.22 118.94 119.96 1bty s TRP 51 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 55.97 1bty s TRP 51 Cb 0.00 -0.68 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 1bty s TRP 51 CO 0.00 -0.01 -0.21 0.08 0.02 0.00 0.00 176.95 176.83 1bty s VAL 52 N -0.35 1.70 0.01 4.03 1.01 -0.28 -1.61 120.40 124.90 1bty s VAL 52 Ca 0.04 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1bty s VAL 52 Cb -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1bty s VAL 52 CO -0.00 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.48 1bty s VAL 53 N -0.80 3.08 0.00 2.92 1.01 -0.25 -0.75 120.40 125.61 1bty s VAL 53 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1bty s VAL 53 Cb -0.09 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1bty s VAL 53 CO 0.02 0.43 0.00 -0.24 0.00 0.00 0.00 175.10 175.30 1bty n SER 54 N 1.77 0.00 -4.85 3.32 2.88 -0.27 -1.06 113.62 115.41 1bty n SER 54 Ca -0.16 -0.83 -0.36 0.00 -1.33 0.00 0.00 58.87 56.19 1bty n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1bty n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bty s ALA 55 N -1.43 3.67 0.44 -1.46 0.00 -1.26 -0.88 121.76 120.84 1bty s ALA 55 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 51.96 51.85 1bty s ALA 55 Cb 0.00 -2.38 1.01 0.00 0.00 0.00 0.00 23.12 21.75 1bty s ALA 55 CO 0.00 0.51 1.98 0.00 0.00 0.00 0.00 175.76 178.25 1bty h ALA 56 N 3.92 1.64 0.00 0.00 0.00 -1.71 -1.66 119.26 121.45 1bty h ALA 56 Ca -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1bty h ALA 56 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bty h ALA 56 CO 0.65 0.25 0.00 -2.39 0.00 0.00 0.00 179.25 177.76 1bty n HIS 57 N -4.25 0.00 1.35 0.00 1.44 -1.26 -1.61 115.22 110.89 1bty n HIS 57 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1bty n HIS 57 Cb 0.26 -0.30 0.40 0.00 0.12 0.00 0.00 29.99 30.47 1bty n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bty s TYR 59 N -2.06 2.47 -0.01 0.00 5.04 -0.63 -4.99 117.35 117.17 1bty s TYR 59 Ca 0.34 1.31 -0.30 0.00 -2.44 0.00 0.00 57.07 55.98 1bty s TYR 59 Cb 0.21 -3.86 0.11 0.00 0.35 0.00 0.00 41.96 38.77 1bty s TYR 59 CO 0.35 -2.81 1.19 -1.59 -1.34 0.00 0.00 175.55 171.35 1bty s LYS 60 N -2.52 0.57 0.15 4.97 -2.85 -1.26 -5.15 119.74 113.65 1bty s LYS 60 Ca 0.63 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1bty s LYS 60 Cb -0.42 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.51 1bty s LYS 60 CO 0.53 -0.26 0.31 -1.12 0.10 0.00 0.00 175.35 174.92 1bty s SER 61 N -2.84 6.37 -0.23 0.03 0.01 -1.26 -4.61 113.70 111.17 1bty s SER 61 Ca 0.13 0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.68 1bty s SER 61 Cb 0.03 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.29 1bty s SER 61 CO -0.03 0.04 0.19 0.61 0.41 0.00 0.00 173.24 174.46 1bty n GLY 62 N -0.38 0.32 3.79 3.44 0.00 -1.26 -5.04 105.19 106.06 1bty n GLY 62 Ca -0.06 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1bty n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bty s ILE 63 N -3.07 5.15 -0.10 -0.61 1.01 -1.26 -4.52 121.20 117.79 1bty s ILE 63 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1bty s ILE 63 Cb -0.00 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1bty s ILE 63 CO 0.14 0.58 -0.23 -1.58 0.00 0.00 0.00 174.94 173.85 1bty s GLN 64 N -0.70 3.01 -0.14 2.79 0.74 -0.25 -2.32 119.66 122.79 1bty s GLN 64 Ca 0.13 -0.87 -0.15 0.00 0.05 0.00 0.00 55.36 54.52 1bty s GLN 64 Cb -0.12 -2.31 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 1bty s GLN 64 CO 0.03 0.21 0.35 0.08 -0.55 0.00 0.00 175.29 175.40 1bty s VAL 65 N 0.27 5.26 -0.23 1.34 1.01 0.54 -0.67 120.40 127.92 1bty s VAL 65 Ca -0.16 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1bty s VAL 65 Cb -0.17 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1bty s VAL 65 CO 0.08 0.39 -0.11 -0.13 0.00 0.00 0.00 175.10 175.33 1bty s ARG 65 N 0.37 2.87 0.31 2.72 0.52 0.31 -1.32 118.95 124.74 1bty s ARG 65 Ca 0.20 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 1bty s ARG 65 Cb -0.14 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 1bty s ARG 65 CO 0.06 -0.34 0.23 -0.51 0.02 0.00 0.00 175.30 174.77 1bty s LEU 66 N 1.31 3.60 -1.61 2.53 1.43 -0.35 -0.99 118.68 124.59 1bty s LEU 66 Ca 0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1bty s LEU 66 Cb -0.16 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1bty s LEU 66 CO -0.07 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1bty n GLY 69 N -1.27 0.85 3.87 -3.19 0.00 -1.26 -1.95 105.19 102.24 1bty n GLY 69 Ca -0.04 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1bty n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bty s GLU 70 N -3.98 3.83 0.00 1.61 0.41 -1.26 -3.72 118.70 115.59 1bty s GLU 70 Ca 0.00 0.32 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1bty s GLU 70 Cb 0.00 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 1bty s GLU 70 CO 0.00 0.32 0.00 -3.47 -0.49 0.00 0.00 175.26 171.62 1bty n ASP 71 N -0.06 0.00 -4.60 -0.19 2.03 -1.26 -4.59 116.55 107.88 1bty n ASP 71 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1bty n ASP 71 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1bty n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1bty s ASN 72 N 0.36 6.64 0.00 1.67 3.84 -1.26 -3.32 114.94 122.87 1bty s ASN 72 Ca 0.00 0.47 0.19 0.00 0.21 0.00 0.00 52.86 53.73 1bty s ASN 72 Cb 0.00 -2.48 0.97 0.00 -0.55 0.00 0.00 41.25 39.19 1bty s ASN 72 CO 0.00 -0.99 1.58 2.30 -2.79 0.00 0.00 177.10 177.20 1bty n ILE 73 N 6.26 0.39 0.61 -5.21 -5.35 -0.41 -2.86 119.36 112.79 1bty n ILE 73 Ca 0.08 0.10 0.07 0.00 -0.27 0.00 0.00 62.75 62.73 1bty n ILE 73 Cb 0.48 -0.79 0.05 0.00 -1.74 0.00 0.00 39.64 37.65 1bty n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1bty n ASN 74 N -1.26 2.09 -3.95 7.28 3.02 -1.26 -4.95 115.26 116.22 1bty n ASN 74 Ca 0.09 -1.54 -0.23 0.00 -0.03 0.00 0.00 54.58 52.87 1bty n ASN 74 Cb 0.14 0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 39.23 1bty n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bty s VAL 75 N -1.29 0.85 -0.32 2.41 1.01 -1.14 -5.10 120.40 116.82 1bty s VAL 75 Ca 0.16 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1bty s VAL 75 Cb 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1bty s VAL 75 CO 0.21 0.29 1.14 -0.69 0.00 0.00 0.00 175.10 176.05 1bty s VAL 76 N 0.85 4.40 -1.47 2.92 1.01 -1.26 -4.69 120.40 122.15 1bty s VAL 76 Ca -0.12 1.61 0.17 0.00 0.00 0.00 0.00 61.98 63.64 1bty s VAL 76 Cb -0.15 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1bty s VAL 76 CO 0.01 -0.50 0.87 -0.62 0.00 0.00 0.00 175.10 174.87 1bty n GLU 77 N 7.01 1.59 0.00 2.72 1.02 -1.26 -5.00 120.64 126.73 1bty n GLU 77 Ca 0.13 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1bty n GLU 77 Cb 0.47 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1bty n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bty n GLY 78 N 1.23 2.31 0.83 0.62 0.00 -1.26 -4.96 105.19 103.96 1bty n GLY 78 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1bty n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bty n ASN 79 N 0.00 3.26 -4.82 1.61 4.13 -1.26 -5.02 115.26 113.16 1bty n ASN 79 Ca 0.00 -2.08 -0.33 0.00 1.68 0.00 0.00 54.58 53.84 1bty n ASN 79 Cb 0.00 -0.31 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 1bty n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1bty s GLU 80 N -1.15 4.07 -0.07 3.52 8.01 -1.24 -4.23 118.70 127.60 1bty s GLU 80 Ca 0.30 1.17 -0.01 0.00 0.01 0.00 0.00 54.97 56.45 1bty s GLU 80 Cb 0.17 -2.15 0.03 0.00 -4.31 0.00 0.00 34.13 27.87 1bty s GLU 80 CO 0.19 -0.18 -0.01 -0.65 0.01 0.00 0.00 175.26 174.62 1bty s GLN 81 N -3.30 0.74 -0.22 1.61 -0.21 -0.82 -4.97 119.66 112.49 1bty s GLN 81 Ca 0.63 0.05 -0.03 0.00 0.02 0.00 0.00 55.36 56.03 1bty s GLN 81 Cb -0.11 -1.04 0.00 0.00 1.00 0.00 0.00 33.01 32.86 1bty s GLN 81 CO 0.17 -0.28 -0.07 -0.06 -2.12 0.00 0.00 175.29 172.93 1bty s PHE 82 N 1.87 2.95 -0.02 0.91 0.08 -1.26 -1.21 117.98 121.29 1bty s PHE 82 Ca 0.04 -1.17 0.03 0.00 0.12 0.00 0.00 56.93 55.95 1bty s PHE 82 Cb -0.12 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1bty s PHE 82 CO -0.05 -0.63 -0.10 0.42 -0.10 0.00 0.00 175.22 174.76 1bty s ILE 83 N 1.42 0.84 0.55 0.64 1.01 -0.43 -4.98 121.20 120.25 1bty s ILE 83 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1bty s ILE 83 Cb -0.14 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 1bty s ILE 83 CO -0.05 0.26 0.94 -0.55 0.00 0.00 0.00 174.94 175.53 1bty s SER 84 N 0.10 6.33 0.21 3.58 0.15 -1.26 -0.34 113.70 122.46 1bty s SER 84 Ca -0.02 1.30 -0.21 0.00 0.70 0.00 0.00 55.95 57.72 1bty s SER 84 Cb -0.08 -2.41 -0.08 0.00 -1.71 0.00 0.00 66.02 61.74 1bty s SER 84 CO 0.00 -0.71 0.73 0.00 1.20 0.00 0.00 173.24 174.47 1bty s ALA 85 N -2.91 3.42 -0.19 5.45 0.00 -0.98 -1.00 121.76 125.56 1bty s ALA 85 Ca 0.53 0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.80 1bty s ALA 85 Cb -0.11 -2.85 -0.22 0.00 0.00 0.00 0.00 23.12 19.94 1bty s ALA 85 CO 0.46 0.32 0.09 -1.13 0.00 0.00 0.00 175.76 175.50 1bty n SER 86 N 0.95 0.95 -3.50 0.00 3.41 0.57 -4.71 113.62 111.29 1bty n SER 86 Ca -0.03 0.04 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 1bty n SER 86 Cb 0.51 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.63 1bty n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1bty s LYS 87 N -2.52 1.02 0.02 4.33 -2.85 -1.21 -5.00 119.74 113.53 1bty s LYS 87 Ca -0.18 0.02 0.08 0.00 -1.00 0.00 0.00 55.97 54.88 1bty s LYS 87 Cb 0.07 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1bty s LYS 87 CO 0.75 -0.37 -0.23 -1.12 0.10 0.00 0.00 175.35 174.49 1bty s SER 88 N -1.66 2.69 -0.18 0.03 0.01 -1.26 -0.72 113.70 112.60 1bty s SER 88 Ca -0.05 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1bty s SER 88 Cb -0.00 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.02 1bty s SER 88 CO 0.02 0.23 0.01 -0.63 0.41 0.00 0.00 173.24 173.28 1bty s ILE 89 N -0.69 0.66 0.20 1.44 1.01 0.50 -4.99 121.20 119.33 1bty s ILE 89 Ca 0.09 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1bty s ILE 89 Cb -0.09 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.22 1bty s ILE 89 CO 0.01 -0.12 0.66 -0.69 0.00 0.00 0.00 174.94 174.80 1bty s VAL 90 N 1.80 4.67 0.19 2.92 1.01 -1.26 -1.11 120.40 128.62 1bty s VAL 90 Ca -0.01 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.77 1bty s VAL 90 Cb -0.17 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 1bty s VAL 90 CO -0.07 0.22 1.24 1.57 0.00 0.00 0.00 175.10 178.05 1bty n HIS 91 N 0.74 1.55 -0.20 5.22 -0.00 -0.88 -4.84 115.22 116.81 1bty n HIS 91 Ca -0.03 0.60 0.27 0.00 0.46 0.00 0.00 57.72 59.02 1bty n HIS 91 Cb 0.51 -2.33 0.69 0.00 -0.12 0.00 0.00 29.99 28.74 1bty n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1bty h PRO 92 N 3.67 0.07 -0.43 1.57 0.13 -1.94 -2.37 132.00 132.71 1bty h PRO 92 Ca -0.44 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1bty h PRO 92 Cb 1.32 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1bty h PRO 92 CO 0.72 0.05 0.06 0.43 -0.23 0.00 0.00 178.00 179.03 1bty n SER 93 N -4.31 3.93 -4.73 1.44 7.64 -1.26 -5.01 113.62 111.32 1bty n SER 93 Ca 0.19 -3.24 -0.42 0.00 1.01 0.00 0.00 58.87 56.42 1bty n SER 93 Cb 0.94 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 1bty n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1bty s TYR 94 N -2.97 3.03 -0.31 1.43 5.04 -0.89 -4.64 117.35 118.03 1bty s TYR 94 Ca 0.47 0.73 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 1bty s TYR 94 Cb 0.39 -3.92 0.08 0.00 0.35 0.00 0.00 41.96 38.86 1bty s TYR 94 CO 0.08 -3.27 -0.01 1.21 -1.34 0.00 0.00 175.55 172.22 1bty s ASN 95 N 0.91 4.67 0.22 4.32 3.84 -0.82 -5.00 114.94 123.07 1bty s ASN 95 Ca 0.67 -1.84 0.21 0.00 0.21 0.00 0.00 52.86 52.11 1bty s ASN 95 Cb -0.44 -1.61 0.92 0.00 -0.55 0.00 0.00 41.25 39.57 1bty s ASN 95 CO 0.35 -0.31 1.65 -1.54 -2.79 0.00 0.00 177.10 174.46 1bty n SER 96 N 4.34 0.53 0.07 -4.21 3.41 -1.26 0.28 113.62 116.79 1bty n SER 96 Ca -0.04 0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 59.02 1bty n SER 96 Cb 0.42 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.47 1bty n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1bty h ASN 97 N 0.00 0.52 0.00 4.04 2.35 -1.97 -3.37 115.58 117.15 1bty h ASN 97 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 1bty h ASN 97 Cb 0.29 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1bty h ASN 97 CO 0.00 1.62 -1.64 0.35 -1.65 0.00 0.00 177.43 176.11 1bty n THR 98 N -3.53 0.00 -1.27 2.81 -2.24 -1.10 -4.97 114.28 103.98 1bty n THR 98 Ca -0.20 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1bty n THR 98 Cb 1.06 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1bty n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bty n LEU 99 N -1.99 -0.67 -4.75 3.22 7.99 0.14 -4.99 117.00 115.96 1bty n LEU 99 Ca -0.01 0.23 -0.41 0.00 -0.01 0.00 0.00 56.01 55.81 1bty n LEU 99 Cb 0.47 -1.59 -0.04 0.00 -0.11 0.00 0.00 43.42 42.16 1bty n LEU 99 CO 0.43 -0.50 0.79 0.21 -1.51 0.00 0.00 177.39 176.81 1bty s ASN 100 N -2.87 7.28 -0.97 -1.43 2.47 -1.20 -3.12 114.94 115.10 1bty s ASN 100 Ca 0.00 2.19 -0.02 0.00 0.42 0.00 0.00 52.86 55.44 1bty s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1bty s ASN 100 CO 0.00 -0.17 0.82 0.59 -3.72 0.00 0.00 177.10 174.63 1bty n ASN 101 N 1.71 -3.15 -4.25 -4.21 3.02 -1.26 -1.95 115.26 105.16 1bty n ASN 101 Ca 0.00 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.67 1bty n ASN 101 Cb 0.45 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1bty n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bty n ASP 102 N -2.44 4.69 -3.74 6.41 2.03 -1.18 -4.31 116.55 118.01 1bty n ASP 102 Ca -0.15 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 1bty n ASP 102 Cb 0.60 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 1bty n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bty s ILE 103 N 3.15 0.02 0.02 5.18 2.07 -1.26 -3.84 121.20 126.54 1bty s ILE 103 Ca 0.49 -0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.44 1bty s ILE 103 Cb 0.06 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 42.08 1bty s ILE 103 CO 0.01 -0.11 0.19 -0.32 -1.91 0.00 0.00 174.94 172.81 1bty s MET 104 N -0.48 0.64 -0.06 3.50 -2.45 -0.06 -2.08 119.30 118.30 1bty s MET 104 Ca -0.06 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 53.88 1bty s MET 104 Cb -0.04 0.27 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 1bty s MET 104 CO 0.02 -0.18 -0.12 -0.51 1.05 0.00 0.00 175.02 175.29 1bty s LEU 105 N -1.82 2.86 -0.13 4.11 1.43 -0.27 -1.11 118.68 123.74 1bty s LEU 105 Ca -0.09 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1bty s LEU 105 Cb -0.03 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.61 1bty s LEU 105 CO -0.01 0.33 -0.15 -0.63 0.23 0.00 0.00 176.35 176.11 1bty s ILE 106 N -0.62 1.60 -0.09 -0.59 1.01 0.07 -0.37 121.20 122.21 1bty s ILE 106 Ca 0.09 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1bty s ILE 106 Cb -0.11 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1bty s ILE 106 CO 0.01 0.46 0.27 -0.75 0.00 0.00 0.00 174.94 174.94 1bty s LYS 107 N 1.23 3.85 0.25 2.79 2.20 0.10 -1.12 119.74 129.03 1bty s LYS 107 Ca -0.00 0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.58 1bty s LYS 107 Cb -0.14 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1bty s LYS 107 CO -0.07 0.59 0.64 -0.51 -0.36 0.00 0.00 175.35 175.65 1bty s LEU 108 N -0.60 4.19 0.37 5.43 1.43 0.69 -0.31 118.68 129.88 1bty s LEU 108 Ca 0.18 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 1bty s LEU 108 Cb -0.14 -3.74 0.71 0.00 0.03 0.00 0.00 46.19 43.05 1bty s LEU 108 CO 0.07 -0.07 1.97 0.50 0.23 0.00 0.00 176.35 179.04 1bty h LYS 109 N 2.75 0.59 -4.12 1.70 3.64 -1.35 -3.42 116.57 116.35 1bty h LYS 109 Ca -0.48 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 58.72 1bty h LYS 109 Cb 1.18 -0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 32.74 1bty h LYS 109 CO 0.67 0.48 -0.59 0.45 -2.27 0.00 0.00 179.45 178.19 1bty s SER 110 N -6.67 0.37 0.36 4.20 0.15 -1.26 -5.01 113.70 105.84 1bty s SER 110 Ca -0.08 -0.91 -0.26 0.00 0.70 0.00 0.00 55.95 55.40 1bty s SER 110 Cb 0.17 0.25 -0.09 0.00 -1.71 0.00 0.00 66.02 64.63 1bty s SER 110 CO 0.75 -0.65 1.03 0.00 1.20 0.00 0.00 173.24 175.57 1bty s ALA 111 N -3.91 3.17 0.66 5.45 0.00 -1.26 -4.83 121.76 121.05 1bty s ALA 111 Ca 0.07 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1bty s ALA 111 Cb 0.07 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1bty s ALA 111 CO -0.10 -0.09 1.06 0.00 0.00 0.00 0.00 175.76 176.64 1bty s ALA 112 N -1.56 3.00 -0.30 0.00 0.00 0.01 -5.01 121.76 117.90 1bty s ALA 112 Ca 0.53 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1bty s ALA 112 Cb -0.23 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1bty s ALA 112 CO 0.29 -0.92 0.35 -1.54 0.00 0.00 0.00 175.76 173.94 1bty s SER 113 N -4.27 6.20 -0.05 0.00 1.04 -1.26 -4.88 113.70 110.47 1bty s SER 113 Ca 0.57 0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.90 1bty s SER 113 Cb -0.11 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 1bty s SER 113 CO 0.53 -0.24 0.32 -0.76 0.98 0.00 0.00 173.24 174.06 1bty s LEU 114 N 2.03 4.43 0.00 2.42 1.43 -1.26 -4.82 118.68 122.90 1bty s LEU 114 Ca 0.13 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1bty s LEU 114 Cb -0.16 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1bty s LEU 114 CO 0.11 0.33 0.00 -0.46 0.23 0.00 0.00 176.35 176.56 1bty n ASN 115 N 2.03 0.53 0.03 2.29 0.23 0.01 -5.01 115.26 115.37 1bty n ASN 115 Ca -0.16 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.78 1bty n ASN 115 Cb 0.53 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.10 1bty n ASN 115 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1bty h SER 116 N 0.00 0.15 1.36 0.53 0.87 -2.00 -3.35 113.55 111.11 1bty h SER 116 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1bty h SER 116 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1bty h SER 116 CO 0.00 1.18 -0.43 0.03 -0.53 0.00 0.00 176.83 177.08 1bty h ARG 117 N 0.03 0.00 -3.77 2.24 3.08 -1.94 -3.42 114.38 110.59 1bty h ARG 117 Ca -0.19 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.33 1bty h ARG 117 Cb 1.94 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.60 1bty h ARG 117 CO 0.12 0.00 -0.77 0.08 -1.07 0.00 0.00 179.97 178.33 1bty s VAL 118 N -3.23 0.72 0.08 2.04 1.01 -1.25 -4.45 120.40 115.32 1bty s VAL 118 Ca 0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1bty s VAL 118 Cb 0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1bty s VAL 118 CO 0.70 -0.06 0.17 0.00 0.00 0.00 0.00 175.10 175.91 1bty s ALA 119 N 1.78 -0.16 0.47 5.51 0.00 -1.02 -0.81 121.76 127.53 1bty s ALA 119 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1bty s ALA 119 Cb -0.16 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 1bty s ALA 119 CO -0.07 -0.48 0.71 -1.54 0.00 0.00 0.00 175.76 174.37 1bty s SER 120 N -2.81 5.81 0.02 0.00 1.04 -1.26 -3.13 113.70 113.37 1bty s SER 120 Ca 0.04 0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1bty s SER 120 Cb 0.05 -1.58 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1bty s SER 120 CO -0.10 -0.75 -0.12 -0.51 0.98 0.00 0.00 173.24 172.73 1bty s ILE 121 N -2.63 3.20 0.45 -1.02 1.10 -0.36 -4.89 121.20 117.06 1bty s ILE 121 Ca 0.49 -0.97 -0.21 0.00 -0.51 0.00 0.00 60.65 59.45 1bty s ILE 121 Cb -0.10 -2.37 -0.09 0.00 0.15 0.00 0.00 42.46 40.05 1bty s ILE 121 CO 0.39 0.38 1.01 -0.44 -2.11 0.00 0.00 174.94 174.17 1bty s SER 122 N -1.39 6.62 0.47 4.50 0.01 -1.26 -4.60 113.70 118.06 1bty s SER 122 Ca 0.16 1.87 -0.10 0.00 1.31 0.00 0.00 55.95 59.18 1bty s SER 122 Cb -0.11 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 1bty s SER 122 CO 0.06 -0.58 0.85 -0.76 0.41 0.00 0.00 173.24 173.22 1bty s LEU 123 N -3.22 3.66 0.46 2.44 1.43 -1.26 -0.92 118.68 121.27 1bty s LEU 123 Ca 0.64 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 54.79 1bty s LEU 123 Cb -0.15 -4.14 -0.08 0.00 0.03 0.00 0.00 46.19 41.85 1bty s LEU 123 CO 0.19 -0.54 0.91 -2.16 0.23 0.00 0.00 176.35 174.97 1bty s PRO 124 N -4.28 3.95 -0.04 1.29 0.04 -1.26 -4.75 135.00 129.94 1bty s PRO 124 Ca 0.52 0.83 0.19 0.00 0.04 0.00 0.00 61.00 62.58 1bty s PRO 124 Cb -0.10 -2.23 -0.29 0.00 0.04 0.00 0.00 34.50 31.92 1bty s PRO 124 CO 0.38 -0.15 0.38 0.25 0.04 0.00 0.00 177.00 177.90 1bty n THR 125 N -1.29 0.13 -4.06 1.26 -2.24 -1.26 -4.94 114.28 101.88 1bty n THR 125 Ca 0.05 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 1bty n THR 125 Cb 0.54 -0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 1bty n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bty s SER 127 N -4.32 0.42 0.44 3.42 0.01 -1.26 -5.14 113.70 107.28 1bty s SER 127 Ca -0.07 -0.97 -0.20 0.00 1.31 0.00 0.00 55.95 56.02 1bty s SER 127 Cb 0.11 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.47 1bty s SER 127 CO 0.79 -0.63 0.96 0.00 0.41 0.00 0.00 173.24 174.76 1bty s ALA 129 N -2.23 3.41 0.26 0.00 0.00 -1.26 -5.07 121.76 116.87 1bty s ALA 129 Ca 0.62 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1bty s ALA 129 Cb -0.09 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1bty s ALA 129 CO 0.16 0.15 0.42 -1.12 0.00 0.00 0.00 175.76 175.37 1bty s SER 130 N -2.90 6.32 0.50 0.00 0.01 -1.26 -5.04 113.70 111.33 1bty s SER 130 Ca 0.50 0.25 -0.24 0.00 1.31 0.00 0.00 55.95 57.78 1bty s SER 130 Cb -0.10 -1.94 -0.07 0.00 0.21 0.00 0.00 66.02 64.12 1bty s SER 130 CO 0.27 -0.13 1.40 0.00 0.41 0.00 0.00 173.24 175.19 1bty s ALA 132 N -2.06 3.04 0.00 1.44 0.00 -1.26 -1.85 121.76 121.06 1bty s ALA 132 Ca 0.37 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1bty s ALA 132 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1bty s ALA 132 CO 0.31 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1bty n GLY 133 N 0.65 2.84 3.75 0.00 0.00 0.10 -4.95 105.19 107.57 1bty n GLY 133 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1bty n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bty s THR 134 N -2.73 2.50 -0.03 2.61 2.01 -0.77 -4.68 115.64 114.54 1bty s THR 134 Ca 0.00 0.43 -0.15 0.00 0.31 0.00 0.00 61.69 62.28 1bty s THR 134 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1bty s THR 134 CO 0.00 0.07 0.40 -1.58 -0.69 0.00 0.00 174.62 172.82 1bty s GLN 135 N -0.52 3.99 0.28 4.92 0.74 -1.26 -1.21 119.66 126.60 1bty s GLN 135 Ca 0.60 0.38 0.04 0.00 0.05 0.00 0.00 55.36 56.42 1bty s GLN 135 Cb -0.43 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.35 1bty s GLN 135 CO 0.45 0.58 0.02 0.00 -0.55 0.00 0.00 175.29 175.80 1bty s LEU 137 N -3.39 2.64 -0.06 0.00 2.96 0.40 -0.90 118.68 120.34 1bty s LEU 137 Ca 0.32 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1bty s LEU 137 Cb 0.07 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1bty s LEU 137 CO 0.12 0.06 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.36 1bty s ILE 138 N 0.98 2.34 0.07 6.68 1.01 0.21 -1.55 121.20 130.95 1bty s ILE 138 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1bty s ILE 138 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1bty s ILE 138 CO -0.01 0.57 0.02 -0.94 0.00 0.00 0.00 174.94 174.58 1bty s SER 139 N -0.30 0.40 0.00 3.58 1.04 -1.22 -0.79 113.70 116.41 1bty s SER 139 Ca 0.01 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1bty s SER 139 Cb -0.13 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1bty s SER 139 CO 0.02 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1bty n GLY 140 N 0.04 0.94 1.56 7.32 0.00 -0.69 -4.46 105.19 109.90 1bty n GLY 140 Ca -0.12 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.83 1bty n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bty n TRP 141 N -0.73 1.79 -1.56 1.61 8.01 -1.26 -2.14 117.44 123.15 1bty n TRP 141 Ca 0.00 -1.06 -0.30 0.00 -1.31 0.00 0.00 57.50 54.83 1bty n TRP 141 Cb 0.00 -0.52 0.21 0.00 -2.01 0.00 0.00 31.31 28.98 1bty n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bty s GLY 142 N -1.43 1.69 0.38 6.99 0.00 -1.25 -4.35 107.32 109.35 1bty s GLY 142 Ca 0.50 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.88 1bty s GLY 142 CO 0.11 -0.27 1.01 -2.01 0.00 0.00 0.00 173.10 171.94 1bty n ASN 143 N -4.20 1.29 -0.58 1.64 5.15 0.16 -2.78 115.26 115.94 1bty n ASN 143 Ca 0.14 1.08 0.06 0.00 -0.60 0.00 0.00 54.58 55.26 1bty n ASN 143 Cb 0.59 -1.33 0.11 0.00 -0.53 0.00 0.00 39.78 38.62 1bty n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bty n THR 144 N -0.24 0.59 -4.57 -0.44 -2.24 -0.52 -0.44 114.28 106.43 1bty n THR 144 Ca 0.09 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 1bty n THR 144 Cb 0.37 0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 1bty n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bty s LYS 145 N -0.98 1.64 0.21 -0.78 1.02 -1.26 -4.46 119.74 115.14 1bty s LYS 145 Ca 0.20 -1.22 0.20 0.00 0.02 0.00 0.00 55.97 55.17 1bty s LYS 145 Cb 0.11 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1bty s LYS 145 CO 0.15 0.48 1.13 1.03 -0.92 0.00 0.00 175.35 177.23 1bty h SER 146 N 4.21 0.00 -3.40 2.83 0.87 -1.94 -3.44 113.55 112.67 1bty h SER 146 Ca -0.49 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 59.63 1bty h SER 146 Cb 1.16 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.77 1bty h SER 146 CO 0.42 0.25 -0.78 -0.44 -0.53 0.00 0.00 176.83 175.75 1bty s SER 147 N -5.80 1.28 0.00 6.23 0.01 -1.26 -4.65 113.70 109.51 1bty s SER 147 Ca 0.01 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1bty s SER 147 Cb 0.08 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1bty s SER 147 CO 0.77 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.97 1bty n GLY 148 N 4.22 -3.43 2.99 3.44 0.00 -1.26 -5.01 105.19 106.14 1bty n GLY 148 Ca -0.21 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 1bty n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bty s THR 149 N -0.92 0.09 -0.30 2.61 -4.23 -1.26 -4.67 115.64 106.96 1bty s THR 149 Ca 0.00 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 1bty s THR 149 Cb 0.00 -0.26 0.17 0.00 1.34 0.00 0.00 72.50 73.75 1bty s THR 149 CO 0.00 -0.42 0.72 -0.55 -0.54 0.00 0.00 174.62 173.83 1bty s SER 150 N -1.26 -1.10 -0.18 3.99 0.15 -1.26 -4.98 113.70 109.07 1bty s SER 150 Ca -0.14 0.97 -0.07 0.00 0.70 0.00 0.00 55.95 57.41 1bty s SER 150 Cb -0.08 2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 66.22 1bty s SER 150 CO -0.00 -0.21 0.06 -0.31 1.20 0.00 0.00 173.24 173.98 1bty s TYR 151 N 2.84 3.25 0.47 3.44 1.51 -1.26 -1.44 117.35 126.15 1bty s TYR 151 Ca 0.08 0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 56.12 1bty s TYR 151 Cb -0.12 -2.06 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1bty s TYR 151 CO -0.19 0.18 0.84 -1.25 -1.11 0.00 0.00 175.55 174.02 1bty s PRO 152 N 0.27 3.73 -0.04 -1.71 0.04 -1.26 -4.99 135.00 131.04 1bty s PRO 152 Ca 0.03 0.52 0.17 0.00 0.04 0.00 0.00 61.00 61.76 1bty s PRO 152 Cb -0.12 -2.31 -0.20 0.00 0.04 0.00 0.00 34.50 31.90 1bty s PRO 152 CO 0.00 -0.18 0.56 -0.25 0.04 0.00 0.00 177.00 177.17 1bty n ASP 153 N -1.75 0.54 -4.80 6.66 8.00 -1.26 -4.91 116.55 119.03 1bty n ASP 153 Ca 0.03 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.55 1bty n ASP 153 Cb 0.54 0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 42.14 1bty n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1bty s VAL 154 N -2.82 4.33 0.23 2.53 -7.23 -1.26 -1.28 120.40 114.90 1bty s VAL 154 Ca -0.06 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1bty s VAL 154 Cb 0.08 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.60 1bty s VAL 154 CO 0.83 -0.32 1.47 -0.22 -0.31 0.00 0.00 175.10 176.54 1bty s LEU 155 N -3.73 4.38 0.12 1.32 2.96 -1.21 -4.82 118.68 117.70 1bty s LEU 155 Ca 0.32 2.66 0.06 0.00 -0.22 0.00 0.00 54.13 56.96 1bty s LEU 155 Cb -0.08 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1bty s LEU 155 CO 0.24 -0.73 -0.02 -0.54 -1.32 0.00 0.00 176.35 173.98 1bty s LYS 156 N -0.08 2.40 0.12 1.98 -0.14 -0.91 -2.19 119.74 120.92 1bty s LYS 156 Ca 0.61 -0.97 0.06 0.00 -1.36 0.00 0.00 55.97 54.31 1bty s LYS 156 Cb -0.42 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1bty s LYS 156 CO 0.41 0.50 -0.14 0.00 -0.76 0.00 0.00 175.35 175.36 1bty s LEU 158 N -2.43 0.46 -0.22 0.00 2.96 0.03 -0.56 118.68 118.92 1bty s LEU 158 Ca 0.09 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 1bty s LEU 158 Cb -0.05 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.62 1bty s LEU 158 CO 0.03 -0.15 0.10 -0.54 -1.32 0.00 0.00 176.35 174.47 1bty s LYS 159 N 0.83 3.96 0.01 1.98 1.02 -1.26 -0.62 119.74 125.67 1bty s LYS 159 Ca -0.05 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1bty s LYS 159 Cb -0.06 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1bty s LYS 159 CO -0.06 0.12 0.18 0.00 -0.92 0.00 0.00 175.35 174.67 1bty s ALA 160 N 0.83 -0.41 0.38 5.17 0.00 -0.07 -4.94 121.76 122.72 1bty s ALA 160 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1bty s ALA 160 Cb -0.13 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1bty s ALA 160 CO 0.02 -0.25 0.68 -1.25 0.00 0.00 0.00 175.76 174.97 1bty s PRO 161 N -1.65 3.64 0.14 0.00 0.04 -1.26 -0.24 135.00 135.67 1bty s PRO 161 Ca -0.12 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.81 1bty s PRO 161 Cb -0.06 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 1bty s PRO 161 CO 0.01 0.01 0.83 0.42 0.04 0.00 0.00 177.00 178.31 1bty s ILE 162 N -2.38 4.43 0.34 0.56 1.01 -0.35 -1.20 121.20 123.61 1bty s ILE 162 Ca 0.47 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.95 1bty s ILE 162 Cb -0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1bty s ILE 162 CO 0.35 0.45 0.52 -0.76 0.00 0.00 0.00 174.94 175.50 1bty s LEU 163 N -0.70 4.01 0.69 2.97 1.43 -0.02 -0.73 118.68 126.33 1bty s LEU 163 Ca 0.39 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 1bty s LEU 163 Cb -0.23 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1bty s LEU 163 CO 0.27 -0.34 1.14 -0.94 0.23 0.00 0.00 176.35 176.71 1bty s SER 164 N -4.07 4.77 0.40 2.29 1.04 -1.26 -4.61 113.70 112.27 1bty s SER 164 Ca 0.41 2.10 0.16 0.00 0.48 0.00 0.00 55.95 59.11 1bty s SER 164 Cb -0.10 -2.56 0.85 0.00 0.10 0.00 0.00 66.02 64.32 1bty s SER 164 CO 0.34 -1.86 1.86 -0.78 0.98 0.00 0.00 173.24 173.78 1bty h ASP 165 N -0.13 0.00 -0.23 7.02 3.58 -1.97 -1.30 116.42 123.38 1bty h ASP 165 Ca -0.47 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.93 1bty h ASP 165 Cb 1.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1bty h ASP 165 CO 0.52 0.32 -0.06 -1.28 -2.88 0.00 0.00 179.24 175.87 1bty h SER 166 N 0.00 0.46 -0.63 2.28 0.87 -1.99 -0.16 113.55 114.38 1bty h SER 166 Ca -0.00 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1bty h SER 166 Cb 0.63 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1bty h SER 166 CO 0.04 0.72 0.25 0.77 -0.53 0.00 0.00 176.83 178.08 1bty h SER 167 N 0.19 0.87 0.02 6.23 4.64 -1.79 -0.36 113.55 123.35 1bty h SER 167 Ca 0.06 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1bty h SER 167 Cb 0.52 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1bty h SER 167 CO 0.02 0.80 -0.01 0.00 -0.87 0.00 0.00 176.83 176.77 1bty h LYS 169 N -0.05 0.29 -0.08 0.00 1.57 -0.90 -1.71 116.57 115.69 1bty h LYS 169 Ca -0.00 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1bty h LYS 169 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1bty h LYS 169 CO 0.00 0.60 -0.36 1.03 -0.57 0.00 0.00 179.45 180.16 1bty h SER 170 N 0.25 0.17 0.73 0.86 0.87 -0.70 -2.08 113.55 113.65 1bty h SER 170 Ca 0.03 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 1bty h SER 170 Cb 0.73 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1bty h SER 170 CO 0.06 0.52 -0.90 0.00 -0.53 0.00 0.00 176.83 175.97 1bty h ALA 171 N 1.49 0.51 -2.13 6.23 0.00 -0.65 -3.37 119.26 121.34 1bty h ALA 171 Ca 0.02 -0.77 -0.58 0.00 0.00 0.00 0.00 54.91 53.58 1bty h ALA 171 Cb 0.70 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 17.98 1bty h ALA 171 CO 0.05 1.00 -0.80 0.66 0.00 0.00 0.00 179.25 180.17 1bty n TYR 172 N -3.57 2.24 -1.67 0.00 4.01 -0.69 -4.92 117.16 112.56 1bty n TYR 172 Ca -0.02 -3.93 -0.43 0.00 -0.16 0.00 0.00 57.90 53.35 1bty n TYR 172 Cb 0.84 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.38 1bty n TYR 172 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bty n PRO 173 N 0.84 1.93 -1.23 -0.72 -0.04 -0.80 -1.87 135.00 133.12 1bty n PRO 173 Ca 0.27 0.68 -0.08 0.00 -0.04 0.00 0.00 63.50 64.33 1bty n PRO 173 Cb 0.46 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1bty n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bty n GLY 174 N 0.94 0.78 0.00 0.55 0.00 -1.26 -4.82 105.19 101.38 1bty n GLY 174 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1bty n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bty n GLN 175 N -0.51 5.27 -3.52 1.61 6.02 -0.78 -5.03 117.38 120.44 1bty n GLN 175 Ca -0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.55 1bty n GLN 175 Cb 0.54 -0.54 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1bty n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bty s ILE 176 N -1.05 5.29 0.55 5.09 -1.09 -1.25 -5.04 121.20 123.70 1bty s ILE 176 Ca 0.00 0.56 0.07 0.00 -2.23 0.00 0.00 60.65 59.05 1bty s ILE 176 Cb 0.00 -3.64 0.07 0.00 -1.58 0.00 0.00 42.46 37.31 1bty s ILE 176 CO 0.00 0.37 0.57 0.35 -1.23 0.00 0.00 174.94 175.00 1bty n THR 177 N 3.70 0.00 0.77 2.92 -2.24 -1.26 -4.97 114.28 113.20 1bty n THR 177 Ca -0.11 -2.02 0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1bty n THR 177 Cb 0.52 -0.26 0.41 0.00 -2.10 0.00 0.00 70.33 68.90 1bty n THR 177 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bty n SER 178 N -2.06 0.00 -1.60 3.42 7.64 -1.26 -2.56 113.62 117.20 1bty n SER 178 Ca 0.06 0.07 0.08 0.00 1.01 0.00 0.00 58.87 60.09 1bty n SER 178 Cb 0.60 -0.29 0.36 0.00 -1.01 0.00 0.00 64.21 63.87 1bty n SER 178 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bty n ASN 179 N -1.29 5.12 -4.10 6.43 3.02 -1.26 -4.92 115.26 118.25 1bty n ASN 179 Ca 0.08 -2.83 -0.13 0.00 -0.03 0.00 0.00 54.58 51.67 1bty n ASN 179 Cb 0.13 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 1bty n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bty s MET 180 N -2.55 0.63 0.07 3.52 -1.94 -1.06 -1.36 119.30 116.61 1bty s MET 180 Ca 0.51 -0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 53.49 1bty s MET 180 Cb 0.38 -0.33 -0.00 0.00 2.01 0.00 0.00 34.83 36.89 1bty s MET 180 CO 0.16 0.05 0.17 -0.59 -0.01 0.00 0.00 175.02 174.80 1bty s PHE 181 N -1.90 0.16 0.08 -0.03 -0.12 -0.46 -4.79 117.98 110.91 1bty s PHE 181 Ca -0.04 -0.54 0.04 0.00 -0.05 0.00 0.00 56.93 56.34 1bty s PHE 181 Cb -0.06 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1bty s PHE 181 CO -0.01 -0.49 0.03 0.00 -0.05 0.00 0.00 175.22 174.70 1bty s ALA 183 N -1.33 -0.68 0.00 0.00 0.00 -0.83 -0.84 121.76 118.08 1bty s ALA 183 Ca 0.27 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1bty s ALA 183 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1bty s ALA 183 CO 0.19 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1bty n GLY 184 N 2.14 0.78 2.98 0.00 0.00 -0.34 -2.92 105.19 107.82 1bty n GLY 184 Ca -0.17 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1bty n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bty s TYR 184 N -3.55 2.13 0.32 1.61 2.02 -1.26 -4.40 117.35 114.22 1bty s TYR 184 Ca 0.00 -1.31 0.37 0.00 -0.37 0.00 0.00 57.07 55.76 1bty s TYR 184 Cb 0.00 -1.53 1.90 0.00 -0.40 0.00 0.00 41.96 41.92 1bty s TYR 184 CO 0.00 -0.68 2.12 -0.07 -1.57 0.00 0.00 175.55 175.36 1bty h LEU 185 N 8.04 0.00 -0.37 -1.29 3.38 -1.95 0.47 115.31 123.59 1bty h LEU 185 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1bty h LEU 185 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1bty h LEU 185 CO 0.47 0.00 -0.07 1.05 0.09 0.00 0.00 178.44 179.99 1bty h GLU 186 N 0.00 0.00 0.00 1.13 9.09 -1.95 0.25 114.58 123.11 1bty h GLU 186 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bty h GLU 186 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1bty h GLU 186 CO 0.00 0.07 0.00 0.41 0.05 0.00 0.00 179.01 179.54 1bty n GLY 187 N 0.84 -2.39 2.08 1.06 0.00 0.15 -4.33 105.19 102.61 1bty n GLY 187 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1bty n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bty n GLY 188 N -0.16 2.57 2.97 -0.02 0.00 -0.16 -4.89 105.19 105.50 1bty n GLY 188 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1bty n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bty s LYS 188 N 0.00 1.42 0.01 1.61 1.02 -1.26 -3.82 119.74 118.72 1bty s LYS 188 Ca 0.00 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1bty s LYS 188 Cb 0.00 -1.26 0.11 0.00 -0.52 0.00 0.00 37.83 36.16 1bty s LYS 188 CO 0.00 -0.04 1.25 0.34 -0.92 0.00 0.00 175.35 175.99 1bty s ASP 189 N 0.85 -0.05 0.66 2.83 2.15 -0.39 -4.33 116.67 118.38 1bty s ASP 189 Ca -0.12 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.66 1bty s ASP 189 Cb -0.15 0.20 0.08 0.00 -0.30 0.00 0.00 42.92 42.75 1bty s ASP 189 CO 0.01 -0.37 0.93 -0.94 -0.17 0.00 0.00 175.17 174.63 1bty s SER 190 N -3.13 4.76 0.18 -0.34 1.04 -1.26 -0.40 113.70 114.56 1bty s SER 190 Ca 0.17 -0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1bty s SER 190 Cb 0.03 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1bty s SER 190 CO -0.03 -1.56 0.34 0.00 0.98 0.00 0.00 173.24 172.98 1bty n GLN 192 N -0.26 1.46 0.00 0.00 3.00 -1.26 -1.09 117.38 119.22 1bty n GLN 192 Ca -0.03 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1bty n GLN 192 Cb 0.28 -2.21 0.00 0.00 0.00 0.00 0.00 30.24 28.31 1bty n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bty n GLY 193 N 2.95 3.11 0.10 1.08 0.00 -1.26 -0.67 105.19 110.50 1bty n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1bty n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bty h ASP 194 N 0.08 0.00 -0.96 1.61 3.32 -1.43 -3.32 116.42 115.72 1bty h ASP 194 Ca 0.00 -0.06 -0.70 0.00 0.02 0.00 0.00 57.03 56.28 1bty h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1bty h ASP 194 CO 0.00 0.03 -0.21 -1.20 -1.72 0.00 0.00 179.24 176.14 1bty n SER 195 N -2.54 -0.57 0.00 6.45 7.64 -1.25 -1.39 113.62 121.96 1bty n SER 195 Ca 0.01 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1bty n SER 195 Cb 0.52 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1bty n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bty n GLY 196 N 1.67 2.87 3.75 0.23 0.00 -0.32 -0.83 105.19 112.56 1bty n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1bty n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bty s GLY 197 N -1.93 1.63 0.34 -0.02 0.00 -0.48 -3.29 107.32 103.57 1bty s GLY 197 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1bty s GLY 197 CO 0.00 -0.12 0.71 2.56 0.00 0.00 0.00 173.10 176.25 1bty s PRO 198 N -5.48 3.85 -0.25 2.90 0.04 -1.26 -1.26 135.00 133.53 1bty s PRO 198 Ca 0.69 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1bty s PRO 198 Cb -0.10 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.05 1bty s PRO 198 CO 0.54 0.10 0.05 0.08 0.04 0.00 0.00 177.00 177.82 1bty s VAL 199 N -2.13 0.83 -0.14 -0.36 1.01 -0.72 -3.43 120.40 115.46 1bty s VAL 199 Ca 0.51 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1bty s VAL 199 Cb -0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1bty s VAL 199 CO 0.25 -0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.17 1bty s VAL 200 N 1.68 3.42 -0.08 2.92 1.01 -0.60 -1.07 120.40 127.69 1bty s VAL 200 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1bty s VAL 200 Cb -0.17 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1bty s VAL 200 CO -0.15 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 1bty n SER 202 N 4.53 -4.24 -0.11 0.00 7.64 -1.26 -1.94 113.62 118.23 1bty n SER 202 Ca -0.16 -0.76 -0.01 0.00 1.01 0.00 0.00 58.87 58.94 1bty n SER 202 Cb 0.51 -4.06 -0.01 0.00 -1.01 0.00 0.00 64.21 59.64 1bty n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bty n GLY 203 N -1.70 0.48 3.24 0.23 0.00 -1.26 -5.01 105.19 101.16 1bty n GLY 203 Ca -0.03 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1bty n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bty s LYS 204 N -1.03 1.03 -0.45 1.61 -0.14 -0.82 -4.18 119.74 115.76 1bty s LYS 204 Ca 0.00 -1.07 -0.27 0.00 -1.36 0.00 0.00 55.97 53.27 1bty s LYS 204 Cb 0.00 -1.20 0.03 0.00 -1.68 0.00 0.00 37.83 34.98 1bty s LYS 204 CO 0.00 0.28 1.00 -1.17 -0.76 0.00 0.00 175.35 174.69 1bty s LEU 209 N -1.79 3.89 -0.08 3.17 2.96 -0.09 -1.43 118.68 125.31 1bty s LEU 209 Ca 0.04 0.34 0.15 0.00 -0.22 0.00 0.00 54.13 54.43 1bty s LEU 209 Cb -0.10 -3.33 -0.22 0.00 0.50 0.00 0.00 46.19 43.04 1bty s LEU 209 CO 0.03 -1.07 0.22 0.00 -1.32 0.00 0.00 176.35 174.21 1bty n GLN 210 N 7.29 0.96 -4.10 1.98 1.13 -0.23 -4.08 117.38 120.34 1bty n GLN 210 Ca 0.08 -0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1bty n GLN 210 Cb 0.49 -1.39 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 1bty n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1bty s GLY 211 N -4.33 0.99 -0.05 1.08 0.00 -0.78 -2.07 107.32 102.16 1bty s GLY 211 Ca -0.07 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.38 1bty s GLY 211 CO 0.65 -1.02 -0.10 -0.42 0.00 0.00 0.00 173.10 172.21 1bty s ILE 212 N -4.09 0.90 -0.04 0.90 1.01 -1.09 -1.75 121.20 117.04 1bty s ILE 212 Ca 0.31 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1bty s ILE 212 Cb 0.03 -0.84 -0.08 0.00 0.01 0.00 0.00 42.46 41.59 1bty s ILE 212 CO 0.10 0.30 2.02 -0.69 0.00 0.00 0.00 174.94 176.67 1bty s VAL 213 N 0.60 3.05 0.00 2.92 1.01 -0.39 -1.59 120.40 126.01 1bty s VAL 213 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1bty s VAL 213 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1bty s VAL 213 CO 0.02 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.87 1bty n SER 214 N 8.72 0.00 -1.95 3.32 2.88 -1.09 -1.18 113.62 124.33 1bty n SER 214 Ca 0.23 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.70 1bty n SER 214 Cb 0.42 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1bty n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1bty n TRP 215 N -2.40 -1.18 0.00 0.66 4.27 -0.85 -4.92 117.44 113.02 1bty n TRP 215 Ca 0.00 -1.08 0.00 0.00 -3.89 0.00 0.00 57.50 52.53 1bty n TRP 215 Cb 0.00 0.33 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1bty n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1bty n GLY 216 N -0.28 1.11 3.46 -1.67 0.00 -1.26 -0.99 105.19 105.56 1bty n GLY 216 Ca -0.01 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 1bty n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bty s SER 217 N 0.00 6.22 0.63 1.61 0.15 -1.26 -4.92 113.70 116.13 1bty s SER 217 Ca 0.00 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1bty s SER 217 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1bty s SER 217 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1bty n GLY 219 N 5.14 0.08 2.87 9.45 0.00 -1.26 -4.69 105.19 116.78 1bty n GLY 219 Ca -0.07 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1bty n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bty n ALA 221 N 3.81 -0.63 -2.25 0.00 0.00 -1.26 -4.63 120.51 115.55 1bty n ALA 221 Ca -0.22 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1bty n ALA 221 Cb 0.54 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 1bty n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bty s GLN 221 N -4.97 3.89 0.39 0.00 -1.52 -1.26 -0.99 119.66 115.20 1bty s GLN 221 Ca 0.00 0.49 -0.27 0.00 -1.95 0.00 0.00 55.36 53.62 1bty s GLN 221 Cb 0.00 -2.50 -0.10 0.00 -0.22 0.00 0.00 33.01 30.19 1bty s GLN 221 CO 0.00 0.18 1.48 0.21 -0.25 0.00 0.00 175.29 176.91 1bty s LYS 222 N -3.10 4.01 -1.52 2.91 2.20 -1.26 -2.26 119.74 120.72 1bty s LYS 222 Ca 0.51 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 1bty s LYS 222 Cb -0.11 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1bty s LYS 222 CO 0.21 -0.61 0.00 0.09 -0.36 0.00 0.00 175.35 174.68 1bty n ASN 223 N 0.30 -4.21 -3.40 1.43 5.03 0.89 -4.88 115.26 110.42 1bty n ASN 223 Ca 0.02 0.35 -0.26 0.00 0.87 0.00 0.00 54.58 55.56 1bty n ASN 223 Cb 0.40 -3.71 -0.09 0.00 -1.02 0.00 0.00 39.78 35.36 1bty n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1bty n LYS 224 N -1.78 1.23 -1.24 3.52 4.76 -0.96 -4.76 118.16 118.94 1bty n LYS 224 Ca -0.14 -3.77 -0.29 0.00 -2.87 0.00 0.00 58.31 51.24 1bty n LYS 224 Cb 0.51 -1.74 0.19 0.00 -1.84 0.00 0.00 35.03 32.15 1bty n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1bty s PRO 225 N -1.28 -0.03 0.42 1.97 0.04 -1.26 -4.26 135.00 130.58 1bty s PRO 225 Ca 0.34 0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.43 1bty s PRO 225 Cb 0.11 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.84 1bty s PRO 225 CO -0.11 -2.98 0.89 0.20 0.04 0.00 0.00 177.00 175.03 1bty s GLY 226 N -3.76 2.28 -0.07 0.56 0.00 -1.15 -4.65 107.32 100.54 1bty s GLY 226 Ca 0.67 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.65 1bty s GLY 226 CO 0.56 0.47 -0.15 0.14 0.00 0.00 0.00 173.10 174.12 1bty s VAL 227 N -2.23 2.94 0.06 1.40 1.01 -0.16 -1.96 120.40 121.46 1bty s VAL 227 Ca 0.59 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1bty s VAL 227 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1bty s VAL 227 CO 0.19 0.58 -0.17 -0.31 0.00 0.00 0.00 175.10 175.38 1bty s TYR 228 N -0.46 1.49 0.16 5.22 1.51 0.59 -2.01 117.35 123.86 1bty s TYR 228 Ca 0.06 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1bty s TYR 228 Cb -0.12 -0.87 -0.08 0.00 -0.11 0.00 0.00 41.96 40.79 1bty s TYR 228 CO 0.02 0.09 1.20 0.99 -1.11 0.00 0.00 175.55 176.74 1bty s THR 229 N -0.96 3.64 -0.92 -0.71 2.01 -0.62 -1.35 115.64 116.73 1bty s THR 229 Ca 0.04 1.34 -0.20 0.00 0.31 0.00 0.00 61.69 63.17 1bty s THR 229 Cb -0.09 -3.85 0.10 0.00 0.01 0.00 0.00 72.50 68.67 1bty s THR 229 CO 0.02 0.19 1.20 -0.75 -0.69 0.00 0.00 174.62 174.59 1bty s LYS 230 N 0.01 3.53 0.38 4.92 2.20 -0.46 -2.69 119.74 127.63 1bty s LYS 230 Ca 0.54 -1.45 0.10 0.00 -0.36 0.00 0.00 55.97 54.80 1bty s LYS 230 Cb -0.32 -4.94 0.87 0.00 -1.51 0.00 0.00 37.83 31.92 1bty s LYS 230 CO 0.35 -1.90 1.92 0.28 -0.36 0.00 0.00 175.35 175.63 1bty h VAL 231 N 6.11 0.88 -0.23 4.02 2.07 -1.74 -2.54 116.25 124.83 1bty h VAL 231 Ca 0.11 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1bty h VAL 231 Cb 1.03 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1bty h VAL 231 CO 1.21 0.11 0.29 0.00 0.02 0.00 0.00 177.57 179.20 1bty n ASN 233 N -3.66 0.13 -0.47 0.00 3.02 -0.96 -3.73 115.26 109.60 1bty n ASN 233 Ca 0.03 0.51 0.06 0.00 -0.03 0.00 0.00 54.58 55.15 1bty n ASN 233 Cb 0.42 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 39.10 1bty n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1bty n TYR 234 N -1.63 0.06 -0.29 3.10 4.01 0.46 -4.72 117.16 118.16 1bty n TYR 234 Ca 0.06 -0.07 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1bty n TYR 234 Cb 0.34 -0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.55 1bty n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1bty h VAL 235 N 2.17 0.85 -0.41 -0.72 2.07 -1.63 0.64 116.25 119.22 1bty h VAL 235 Ca 0.00 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1bty h VAL 235 Cb 0.50 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1bty h VAL 235 CO 0.00 0.13 0.01 -1.28 0.02 0.00 0.00 177.57 176.46 1bty h SER 236 N 0.73 0.70 -0.32 0.57 0.87 -1.88 -0.80 113.55 113.44 1bty h SER 236 Ca 0.41 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1bty h SER 236 Cb 0.44 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1bty h SER 236 CO -0.28 0.83 0.18 -0.25 -0.53 0.00 0.00 176.83 176.78 1bty h TRP 237 N 0.55 0.43 0.28 2.24 7.01 -1.68 -0.53 115.95 124.25 1bty h TRP 237 Ca 0.12 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1bty h TRP 237 Cb 0.46 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1bty h TRP 237 CO 0.04 0.33 -0.27 0.82 -2.79 0.00 0.00 178.44 176.57 1bty h ILE 238 N 0.40 0.43 -0.57 2.65 2.04 -0.67 -0.55 117.51 121.24 1bty h ILE 238 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1bty h ILE 238 Cb 0.04 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1bty h ILE 238 CO -0.02 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.57 1bty h LYS 239 N -0.58 0.63 -0.34 2.37 1.57 -1.04 -1.38 116.57 117.80 1bty h LYS 239 Ca -0.01 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1bty h LYS 239 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1bty h LYS 239 CO -0.05 0.41 -0.24 -0.56 -0.57 0.00 0.00 179.45 178.45 1bty h GLN 240 N 0.65 0.66 -0.03 3.15 3.07 -0.91 -2.26 115.11 119.43 1bty h GLN 240 Ca 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 1bty h GLN 240 Cb 0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 1bty h GLN 240 CO -0.12 0.84 -0.00 1.15 0.09 0.00 0.00 178.83 180.79 1bty h THR 241 N 0.58 1.25 -0.76 1.86 2.02 -0.75 -2.89 112.91 114.22 1bty h THR 241 Ca 0.08 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1bty h THR 241 Cb 0.71 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 1bty h THR 241 CO 0.05 0.20 0.50 0.40 0.37 0.00 0.00 175.52 177.05 1bty h ILE 242 N -0.24 1.08 0.00 3.11 2.04 -1.21 -1.69 117.51 120.61 1bty h ILE 242 Ca 0.01 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1bty h ILE 242 Cb 0.33 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1bty h ILE 242 CO 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 1bty h ALA 243 N 1.57 1.05 -0.22 1.87 0.00 -1.28 -3.16 119.26 119.08 1bty h ALA 243 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bty h ALA 243 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bty h ALA 243 CO -0.10 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.68 1bty n SER 244 N -3.23 2.82 0.00 0.00 2.88 -0.68 -5.10 113.62 110.31 1bty n SER 244 Ca -0.00 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 1bty n SER 244 Cb 0.29 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1bty n SER 244 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40