#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tni s VAL 17 N 0.00 4.96 -0.90 1.39 1.01 0.05 -3.88 120.40 123.02 1tni s VAL 17 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1tni s VAL 17 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1tni s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1tni n GLY 18 N 3.16 0.16 0.00 4.51 0.00 -1.25 -1.53 105.19 110.23 1tni n GLY 18 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1tni n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tni n GLY 19 N -1.13 2.37 3.21 -0.02 0.00 -1.26 -4.85 105.19 103.51 1tni n GLY 19 Ca -0.12 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1tni n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tni s TYR 20 N 1.99 1.08 0.01 1.61 1.13 -0.37 -4.93 117.35 117.86 1tni s TYR 20 Ca 0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 57.07 54.48 1tni s TYR 20 Cb 0.00 -0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 40.21 1tni s TYR 20 CO 0.00 -0.08 1.49 0.99 -2.51 0.00 0.00 175.55 175.44 1tni s THR 21 N -3.52 3.54 0.23 -3.49 2.01 -1.26 -0.34 115.64 112.81 1tni s THR 21 Ca 0.15 0.91 -0.07 0.00 0.31 0.00 0.00 61.69 63.00 1tni s THR 21 Cb 0.04 -3.58 0.19 0.00 0.01 0.00 0.00 72.50 69.16 1tni s THR 21 CO -0.02 -0.01 1.83 0.00 -0.69 0.00 0.00 174.62 175.73 1tni n GLY 23 N -1.02 2.31 3.65 0.00 0.00 -1.26 -4.80 105.19 104.06 1tni n GLY 23 Ca 0.08 -1.53 -0.50 0.00 0.00 0.00 0.00 46.02 44.08 1tni n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tni n ALA 24 N 1.83 0.76 -2.00 4.61 0.00 -1.26 -2.46 120.51 121.98 1tni n ALA 24 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 1tni n ALA 24 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 1tni n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tni n ASN 25 N 7.10 -5.07 0.00 0.00 3.02 -1.26 -4.89 115.26 114.16 1tni n ASN 25 Ca 0.26 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1tni n ASN 25 Cb 0.26 -4.13 0.41 0.00 -0.61 0.00 0.00 39.78 35.71 1tni n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tni n THR 26 N -3.42 0.00 -3.79 3.41 -2.24 -1.03 -4.16 114.28 103.06 1tni n THR 26 Ca -0.19 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.31 1tni n THR 26 Cb 0.62 -0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1tni n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1tni n VAL 27 N -1.50 1.59 0.66 2.28 0.31 -1.26 -4.99 118.33 115.41 1tni n VAL 27 Ca 0.06 -4.85 0.12 0.00 -0.01 0.00 0.00 64.34 59.67 1tni n VAL 27 Cb 0.34 -2.14 0.47 0.00 -0.91 0.00 0.00 33.84 31.59 1tni n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1tni n PRO 28 N 1.81 0.15 0.00 5.55 -0.04 -1.26 -1.56 135.00 139.65 1tni n PRO 28 Ca 0.22 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1tni n PRO 28 Cb 0.37 -1.71 0.36 0.00 -0.04 0.00 0.00 33.50 32.48 1tni n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1tni n TYR 29 N -1.98 0.00 -2.20 0.54 0.18 -1.14 -2.19 117.16 110.38 1tni n TYR 29 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 1tni n TYR 29 Cb 0.33 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 39.05 1tni n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tni s GLN 30 N -2.77 4.24 0.27 -3.48 2.00 -0.60 -1.12 119.66 118.20 1tni s GLN 30 Ca 0.18 1.97 0.10 0.00 -2.00 0.00 0.00 55.36 55.60 1tni s GLN 30 Cb 0.18 -3.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 1tni s GLN 30 CO 0.60 -0.68 -0.01 0.14 -0.50 0.00 0.00 175.29 174.84 1tni s VAL 31 N 3.08 3.36 -0.16 1.34 -7.23 -0.11 -4.53 120.40 116.15 1tni s VAL 31 Ca 0.65 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1tni s VAL 31 Cb -0.30 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 1tni s VAL 31 CO 0.25 -0.37 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.06 1tni s SER 32 N -3.67 4.50 -0.19 4.85 0.15 -0.30 -1.80 113.70 117.24 1tni s SER 32 Ca 0.31 -0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.55 1tni s SER 32 Cb -0.06 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1tni s SER 32 CO 0.20 0.13 0.51 -0.76 1.20 0.00 0.00 173.24 174.52 1tni s LEU 33 N 0.59 4.16 -0.11 3.45 1.43 0.13 -1.08 118.68 127.24 1tni s LEU 33 Ca -0.04 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1tni s LEU 33 Cb -0.15 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1tni s LEU 33 CO 0.03 -0.16 -0.22 0.21 0.23 0.00 0.00 176.35 176.43 1tni s ASN 34 N 1.11 2.99 -0.36 2.29 2.47 -0.52 -0.98 114.94 121.94 1tni s ASN 34 Ca 0.24 -0.55 0.10 0.00 0.42 0.00 0.00 52.86 53.07 1tni s ASN 34 Cb -0.15 -1.37 0.45 0.00 -1.45 0.00 0.00 41.25 38.72 1tni s ASN 34 CO 0.10 0.11 1.09 -1.54 -3.72 0.00 0.00 177.10 173.14 1tni n SER 37 N 3.78 3.70 0.00 -4.21 3.41 -1.26 -1.04 113.62 118.01 1tni n SER 37 Ca -0.20 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 1tni n SER 37 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1tni n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tni n GLY 38 N -0.45 0.73 3.50 5.00 0.00 -1.26 -5.01 105.19 107.69 1tni n GLY 38 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1tni n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tni s TYR 39 N -2.17 -0.50 0.14 1.61 1.13 -1.26 -5.14 117.35 111.15 1tni s TYR 39 Ca 0.00 0.61 -0.31 0.00 -1.41 0.00 0.00 57.07 55.96 1tni s TYR 39 Cb 0.00 0.49 -0.10 0.00 -1.10 0.00 0.00 41.96 41.25 1tni s TYR 39 CO 0.00 -0.62 1.66 -1.58 -2.51 0.00 0.00 175.55 172.51 1tni s HIS 40 N -2.33 2.71 0.00 -3.49 5.65 -1.26 -4.13 115.29 112.45 1tni s HIS 40 Ca -0.02 0.39 0.00 0.00 0.25 0.00 0.00 55.06 55.67 1tni s HIS 40 Cb -0.01 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 1tni s HIS 40 CO -0.02 -3.94 0.00 1.97 -0.65 0.00 0.00 174.74 172.10 1tni n PHE 41 N 4.69 0.00 -3.49 3.88 -1.74 -0.16 -4.97 117.46 115.67 1tni n PHE 41 Ca 0.15 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.89 1tni n PHE 41 Cb 0.38 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.34 1tni n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1tni n GLY 43 N 0.49 0.71 3.88 0.00 0.00 0.58 -0.69 105.19 110.15 1tni n GLY 43 Ca -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1tni n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tni s GLY 44 N -4.44 -0.10 -0.06 -0.02 0.00 -0.75 -3.80 107.32 98.16 1tni s GLY 44 Ca 0.50 0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1tni s GLY 44 CO 0.33 3.26 -0.09 -0.56 0.00 0.00 0.00 173.10 176.04 1tni s SER 45 N -3.48 1.45 -0.32 1.64 0.01 -0.17 -0.94 113.70 111.90 1tni s SER 45 Ca 0.23 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 1tni s SER 45 Cb -0.00 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.57 1tni s SER 45 CO 0.01 -0.01 1.11 -0.22 0.41 0.00 0.00 173.24 174.54 1tni s LEU 46 N 0.80 3.91 -0.01 2.44 2.96 -0.27 -0.73 118.68 127.78 1tni s LEU 46 Ca -0.12 1.04 0.18 0.00 -0.22 0.00 0.00 54.13 55.00 1tni s LEU 46 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 1tni s LEU 46 CO 0.02 -0.92 0.55 2.30 -1.32 0.00 0.00 176.35 176.97 1tni n ILE 47 N 5.96 0.00 -3.59 6.68 -5.35 -0.65 -0.62 119.36 121.79 1tni n ILE 47 Ca 0.12 -0.27 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 1tni n ILE 47 Cb 0.47 0.48 0.01 0.00 -1.74 0.00 0.00 39.64 38.86 1tni n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1tni n ASN 48 N -1.82 -1.34 0.09 7.28 0.23 -1.20 -4.58 115.26 113.92 1tni n ASN 48 Ca -0.00 -2.06 0.09 0.00 -0.53 0.00 0.00 54.58 52.07 1tni n ASN 48 Cb 0.38 2.27 0.39 0.00 -2.08 0.00 0.00 39.78 40.75 1tni n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1tni n SER 49 N -1.44 0.38 0.00 0.53 3.41 -1.26 -3.29 113.62 111.94 1tni n SER 49 Ca -0.04 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1tni n SER 49 Cb 0.38 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1tni n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1tni n GLN 50 N -1.95 2.16 -4.63 4.33 7.27 -1.26 -0.26 117.38 123.04 1tni n GLN 50 Ca 0.01 -0.26 -0.22 0.00 0.07 0.00 0.00 57.00 56.60 1tni n GLN 50 Cb 0.14 -0.74 -0.15 0.00 2.41 0.00 0.00 30.24 31.89 1tni n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1tni s TRP 51 N -0.38 1.26 -0.03 3.69 0.52 -1.21 -0.69 118.94 122.10 1tni s TRP 51 Ca 0.00 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.93 1tni s TRP 51 Cb 0.00 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.48 1tni s TRP 51 CO 0.00 -0.05 -0.25 0.08 0.02 0.00 0.00 176.95 176.76 1tni s VAL 52 N -0.23 2.13 -0.05 4.03 1.01 -0.29 -1.63 120.40 125.38 1tni s VAL 52 Ca 0.03 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1tni s VAL 52 Cb -0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1tni s VAL 52 CO -0.00 0.58 -0.03 0.54 0.00 0.00 0.00 175.10 176.18 1tni s VAL 53 N -0.48 3.95 0.00 2.92 0.11 0.09 -0.76 120.40 126.24 1tni s VAL 53 Ca 0.06 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1tni s VAL 53 Cb -0.11 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1tni s VAL 53 CO 0.01 0.52 0.00 -0.24 -3.33 0.00 0.00 175.10 172.05 1tni n SER 54 N 1.91 0.00 -4.77 3.54 2.88 -0.01 -1.00 113.62 116.18 1tni n SER 54 Ca -0.17 -0.79 -0.39 0.00 -1.33 0.00 0.00 58.87 56.19 1tni n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1tni n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tni s ALA 55 N -1.69 3.47 0.48 -1.46 0.00 -1.26 -1.34 121.76 119.95 1tni s ALA 55 Ca 0.00 0.11 0.15 0.00 0.00 0.00 0.00 51.96 52.22 1tni s ALA 55 Cb 0.00 -2.80 1.15 0.00 0.00 0.00 0.00 23.12 21.47 1tni s ALA 55 CO 0.00 0.18 2.06 0.00 0.00 0.00 0.00 175.76 178.00 1tni h ALA 56 N 5.43 2.04 0.00 0.00 0.00 -1.70 -1.07 119.26 123.96 1tni h ALA 56 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1tni h ALA 56 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1tni h ALA 56 CO 0.69 -0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.44 1tni n HIS 57 N -4.48 0.04 1.31 0.00 1.44 -1.26 -1.54 115.22 110.73 1tni n HIS 57 Ca 0.04 0.02 0.14 0.00 -2.01 0.00 0.00 57.72 55.91 1tni n HIS 57 Cb 0.25 -0.52 0.61 0.00 0.12 0.00 0.00 29.99 30.45 1tni n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tni n TYR 59 N -1.15 1.80 -3.66 0.00 9.36 -0.59 -5.00 117.16 117.92 1tni n TYR 59 Ca 0.12 0.55 -0.14 0.00 3.32 0.00 0.00 57.90 61.75 1tni n TYR 59 Cb 0.28 -2.38 -0.07 0.00 -0.63 0.00 0.00 39.34 36.55 1tni n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1tni s LYS 60 N -0.65 0.88 0.37 2.98 1.02 -1.26 -5.15 119.74 117.92 1tni s LYS 60 Ca 0.67 -0.14 -0.08 0.00 0.02 0.00 0.00 55.97 56.45 1tni s LYS 60 Cb -0.71 0.40 -0.06 0.00 -0.52 0.00 0.00 37.83 36.94 1tni s LYS 60 CO 0.53 -0.28 0.69 -1.54 -0.92 0.00 0.00 175.35 173.82 1tni s SER 61 N -1.56 6.46 -0.48 2.83 1.04 -1.26 -4.52 113.70 116.21 1tni s SER 61 Ca -0.10 0.94 -0.03 0.00 0.48 0.00 0.00 55.95 57.25 1tni s SER 61 Cb -0.02 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1tni s SER 61 CO 0.03 -0.34 0.38 0.61 0.98 0.00 0.00 173.24 174.90 1tni n GLY 62 N -1.27 0.41 3.71 7.32 0.00 -1.26 -5.02 105.19 109.09 1tni n GLY 62 Ca 0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1tni n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tni s ILE 63 N -3.06 4.98 -0.17 -0.61 1.01 -1.26 -4.63 121.20 117.46 1tni s ILE 63 Ca 0.19 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.44 1tni s ILE 63 Cb -0.08 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1tni s ILE 63 CO 0.23 0.20 -0.02 -1.58 0.00 0.00 0.00 174.94 173.78 1tni s GLN 64 N 0.98 3.70 -0.15 2.79 0.74 -0.20 -1.26 119.66 126.25 1tni s GLN 64 Ca 0.42 -0.50 -0.20 0.00 0.05 0.00 0.00 55.36 55.13 1tni s GLN 64 Cb -0.19 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1tni s GLN 64 CO 0.21 0.20 0.57 0.08 -0.55 0.00 0.00 175.29 175.79 1tni s VAL 65 N 0.49 5.10 -0.29 1.34 1.01 0.78 -1.43 120.40 127.40 1tni s VAL 65 Ca -0.02 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1tni s VAL 65 Cb -0.14 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1tni s VAL 65 CO 0.02 0.21 -0.00 -0.13 0.00 0.00 0.00 175.10 175.20 1tni s ARG 66 N 1.29 2.55 0.24 2.72 0.52 -0.24 -0.63 118.95 125.39 1tni s ARG 66 Ca 0.28 -1.18 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1tni s ARG 66 Cb -0.16 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1tni s ARG 66 CO 0.11 -0.57 0.33 -0.51 0.02 0.00 0.00 175.30 174.69 1tni s LEU 67 N 1.29 4.25 -1.25 2.53 1.43 -0.35 -1.15 118.68 125.43 1tni s LEU 67 Ca -0.04 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1tni s LEU 67 Cb -0.19 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1tni s LEU 67 CO -0.01 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1tni n GLY 69 N -1.32 1.27 3.75 -3.19 0.00 -1.26 -1.36 105.19 103.07 1tni n GLY 69 Ca -0.09 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1tni n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tni s GLU 70 N -2.91 4.65 0.00 1.61 0.41 -1.26 -3.79 118.70 117.41 1tni s GLU 70 Ca 0.00 1.30 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 1tni s GLU 70 Cb 0.00 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 1tni s GLU 70 CO 0.00 0.36 0.00 -3.47 -0.49 0.00 0.00 175.26 171.66 1tni n ASP 71 N 2.30 0.00 -4.59 -0.19 2.03 -1.26 -4.62 116.55 110.22 1tni n ASP 71 Ca -0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 1tni n ASP 71 Cb 0.49 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.85 1tni n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tni s ASN 72 N -0.35 6.26 0.00 1.67 3.04 -1.25 -3.50 114.94 120.81 1tni s ASN 72 Ca 0.00 0.71 0.18 0.00 0.04 0.00 0.00 52.86 53.79 1tni s ASN 72 Cb 0.00 -2.54 0.81 0.00 -1.54 0.00 0.00 41.25 37.98 1tni s ASN 72 CO 0.00 -1.52 1.58 2.30 -3.04 0.00 0.00 177.10 176.42 1tni n ILE 73 N 7.05 0.68 0.64 -5.21 -5.35 -0.30 -2.51 119.36 114.36 1tni n ILE 73 Ca 0.16 0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.91 1tni n ILE 73 Cb 0.48 -0.86 0.12 0.00 -1.74 0.00 0.00 39.64 37.65 1tni n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1tni n ASN 74 N -1.45 2.90 -3.91 7.28 3.02 -1.26 -4.93 115.26 116.91 1tni n ASN 74 Ca 0.05 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.53 1tni n ASN 74 Cb 0.20 -0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 39.13 1tni n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tni s VAL 75 N -1.58 0.53 -0.41 2.41 1.01 -1.04 -5.10 120.40 116.21 1tni s VAL 75 Ca 0.27 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1tni s VAL 75 Cb 0.18 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1tni s VAL 75 CO 0.26 0.21 1.12 -0.69 0.00 0.00 0.00 175.10 176.00 1tni s VAL 76 N 0.66 4.31 -0.51 2.92 1.01 -1.26 -4.65 120.40 122.88 1tni s VAL 76 Ca -0.09 1.42 0.14 0.00 0.00 0.00 0.00 61.98 63.45 1tni s VAL 76 Cb -0.12 -4.52 -0.17 0.00 0.00 0.00 0.00 36.38 31.57 1tni s VAL 76 CO 0.00 -0.80 0.53 -0.62 0.00 0.00 0.00 175.10 174.21 1tni n GLU 77 N 7.47 1.92 0.00 2.72 1.02 -1.26 -5.03 120.64 127.48 1tni n GLU 77 Ca 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1tni n GLU 77 Cb 0.48 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1tni n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tni n GLY 78 N 1.41 2.25 0.93 0.62 0.00 -1.26 -4.96 105.19 104.17 1tni n GLY 78 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1tni n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tni n ASN 79 N 0.00 3.14 -4.80 1.61 3.02 -1.26 -5.02 115.26 111.95 1tni n ASN 79 Ca 0.00 -1.91 -0.35 0.00 -0.03 0.00 0.00 54.58 52.30 1tni n ASN 79 Cb 0.00 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1tni n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1tni s GLU 80 N -1.20 4.08 -0.13 3.52 8.01 -1.25 -4.30 118.70 127.43 1tni s GLU 80 Ca 0.32 1.33 -0.01 0.00 0.01 0.00 0.00 54.97 56.61 1tni s GLU 80 Cb 0.18 -2.29 0.04 0.00 -4.31 0.00 0.00 34.13 27.75 1tni s GLU 80 CO 0.25 -0.18 -0.01 -0.65 0.01 0.00 0.00 175.26 174.67 1tni s GLN 81 N -2.93 0.95 -0.32 1.61 -0.21 -0.46 -4.96 119.66 113.34 1tni s GLN 81 Ca 0.62 -0.21 -0.09 0.00 0.02 0.00 0.00 55.36 55.70 1tni s GLN 81 Cb -0.16 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1tni s GLN 81 CO 0.20 -0.40 0.14 -0.06 -2.12 0.00 0.00 175.29 173.05 1tni s PHE 82 N 1.83 3.18 -0.08 0.91 0.08 -1.26 -1.21 117.98 121.44 1tni s PHE 82 Ca 0.03 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.34 1tni s PHE 82 Cb -0.14 -2.34 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1tni s PHE 82 CO -0.07 -0.52 -0.10 0.42 -0.10 0.00 0.00 175.22 174.85 1tni s ILE 83 N 1.57 1.05 0.46 0.64 1.01 0.20 -4.97 121.20 121.16 1tni s ILE 83 Ca 0.04 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1tni s ILE 83 Cb -0.17 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.22 1tni s ILE 83 CO 0.05 0.35 1.12 -0.55 0.00 0.00 0.00 174.94 175.91 1tni s SER 84 N 0.99 6.26 0.17 3.58 0.15 -1.26 -0.15 113.70 123.44 1tni s SER 84 Ca -0.09 2.17 -0.30 0.00 0.70 0.00 0.00 55.95 58.44 1tni s SER 84 Cb -0.15 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 1tni s SER 84 CO -0.00 -0.85 1.07 0.00 1.20 0.00 0.00 173.24 174.67 1tni s ALA 85 N -1.66 3.35 -0.12 5.45 0.00 -0.39 -1.05 121.76 127.35 1tni s ALA 85 Ca 0.64 0.77 0.20 0.00 0.00 0.00 0.00 51.96 53.57 1tni s ALA 85 Cb -0.25 -3.34 -0.24 0.00 0.00 0.00 0.00 23.12 19.29 1tni s ALA 85 CO 0.30 -0.17 0.49 -1.13 0.00 0.00 0.00 175.76 175.25 1tni n SER 86 N 2.42 0.26 -3.69 0.00 3.41 0.68 -4.71 113.62 111.98 1tni n SER 86 Ca 0.03 0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1tni n SER 86 Cb 0.47 1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 65.53 1tni n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1tni s LYS 87 N -3.09 0.61 -0.06 4.33 2.20 -1.20 -5.02 119.74 117.50 1tni s LYS 87 Ca -0.07 0.77 0.05 0.00 -0.36 0.00 0.00 55.97 56.37 1tni s LYS 87 Cb 0.10 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1tni s LYS 87 CO 0.86 -0.09 -0.23 -1.12 -0.36 0.00 0.00 175.35 174.41 1tni s SER 88 N 0.45 2.85 -0.27 1.43 0.01 -1.26 -0.75 113.70 116.16 1tni s SER 88 Ca -0.01 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1tni s SER 88 Cb -0.04 -0.85 0.07 0.00 0.21 0.00 0.00 66.02 65.41 1tni s SER 88 CO -0.02 0.21 -0.02 -0.63 0.41 0.00 0.00 173.24 173.19 1tni s ILE 89 N -0.05 1.75 0.31 1.44 1.01 0.53 -5.00 121.20 121.19 1tni s ILE 89 Ca -0.06 -1.59 -0.25 0.00 0.00 0.00 0.00 60.65 58.76 1tni s ILE 89 Cb -0.14 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1tni s ILE 89 CO 0.04 -0.27 0.91 -0.69 0.00 0.00 0.00 174.94 174.93 1tni s VAL 90 N 1.25 4.26 0.17 2.92 1.01 -1.26 -1.45 120.40 127.30 1tni s VAL 90 Ca -0.01 1.75 -0.33 0.00 0.00 0.00 0.00 61.98 63.39 1tni s VAL 90 Cb -0.19 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.05 1tni s VAL 90 CO -0.09 0.15 1.13 1.57 0.00 0.00 0.00 175.10 177.86 1tni n HIS 91 N 0.58 1.19 0.28 5.22 -0.00 -0.78 -4.85 115.22 116.85 1tni n HIS 91 Ca 0.01 0.71 0.12 0.00 0.46 0.00 0.00 57.72 59.02 1tni n HIS 91 Cb 0.50 -2.26 0.79 0.00 -0.12 0.00 0.00 29.99 28.91 1tni n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1tni h PRO 92 N 3.20 0.00 -0.51 1.57 0.13 -1.94 -1.41 132.00 133.04 1tni h PRO 92 Ca -0.43 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1tni h PRO 92 Cb 1.35 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.36 1tni h PRO 92 CO 0.69 0.00 0.13 0.43 -0.23 0.00 0.00 178.00 179.01 1tni n SER 93 N -4.17 3.39 -4.71 1.44 7.64 -1.26 -5.01 113.62 110.94 1tni n SER 93 Ca -0.03 -3.50 -0.42 0.00 1.01 0.00 0.00 58.87 55.93 1tni n SER 93 Cb 0.09 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 1tni n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1tni s TYR 94 N -3.13 2.56 -0.34 1.43 5.04 -0.53 -4.66 117.35 117.72 1tni s TYR 94 Ca 0.48 0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 1tni s TYR 94 Cb 0.41 -4.13 0.05 0.00 0.35 0.00 0.00 41.96 38.64 1tni s TYR 94 CO 0.06 -4.47 0.08 1.21 -1.34 0.00 0.00 175.55 171.09 1tni s ASN 95 N 1.92 5.17 0.24 4.32 3.84 -0.58 -5.00 114.94 124.86 1tni s ASN 95 Ca 0.77 -1.30 0.23 0.00 0.21 0.00 0.00 52.86 52.77 1tni s ASN 95 Cb -0.47 -1.81 0.96 0.00 -0.55 0.00 0.00 41.25 39.38 1tni s ASN 95 CO 0.34 -0.34 1.69 -1.54 -2.79 0.00 0.00 177.10 174.47 1tni n SER 96 N 4.72 0.62 0.04 -4.21 3.41 -1.26 -0.12 113.62 116.82 1tni n SER 96 Ca -0.12 0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 58.95 1tni n SER 96 Cb 0.44 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 1tni n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1tni h ASN 97 N 0.00 0.44 0.47 4.04 2.35 -1.97 -3.37 115.58 117.55 1tni h ASN 97 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 1tni h ASN 97 Cb 0.34 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1tni h ASN 97 CO 0.00 1.44 -0.92 0.35 -1.65 0.00 0.00 177.43 176.65 1tni n THR 98 N -4.09 0.17 -1.36 2.81 -2.24 -1.12 -4.95 114.28 103.49 1tni n THR 98 Ca -0.16 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1tni n THR 98 Cb 0.84 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1tni n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1tni n LEU 99 N -1.91 -0.77 -4.74 3.22 7.99 0.82 -4.99 117.00 116.62 1tni n LEU 99 Ca 0.03 0.31 -0.41 0.00 -0.01 0.00 0.00 56.01 55.92 1tni n LEU 99 Cb 0.42 -2.16 -0.03 0.00 -0.11 0.00 0.00 43.42 41.54 1tni n LEU 99 CO 0.39 -0.78 1.03 0.21 -1.51 0.00 0.00 177.39 176.74 1tni s ASN 100 N -2.69 6.79 -1.03 -1.43 2.47 -1.22 -3.17 114.94 114.67 1tni s ASN 100 Ca 0.00 2.54 -0.04 0.00 0.42 0.00 0.00 52.86 55.78 1tni s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1tni s ASN 100 CO 0.00 -0.59 0.88 0.59 -3.72 0.00 0.00 177.10 174.25 1tni n ASN 101 N 2.29 -3.85 -4.56 -4.21 3.02 -1.26 -1.53 115.26 105.16 1tni n ASN 101 Ca 0.06 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.71 1tni n ASN 101 Cb 0.42 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1tni n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tni n ASP 102 N -2.39 4.95 -3.70 6.41 2.03 -1.19 -4.34 116.55 118.32 1tni n ASP 102 Ca -0.11 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1tni n ASP 102 Cb 0.59 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.17 1tni n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1tni s ILE 103 N 3.99 -0.00 0.04 5.18 2.07 -1.26 -3.87 121.20 127.35 1tni s ILE 103 Ca 0.53 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.71 1tni s ILE 103 Cb 0.04 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 1tni s ILE 103 CO 0.07 0.00 0.11 0.00 -1.91 0.00 0.00 174.94 173.21 1tni s MET 104 N 0.34 0.62 -0.09 3.50 0.23 -0.45 -1.87 119.30 121.58 1tni s MET 104 Ca -0.01 -0.78 -0.01 0.00 -1.03 0.00 0.00 55.69 53.86 1tni s MET 104 Cb -0.04 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1tni s MET 104 CO -0.00 -0.16 -0.03 -0.51 -2.03 0.00 0.00 175.02 172.29 1tni s LEU 105 N -2.22 3.41 -0.17 0.18 1.43 -0.53 -0.83 118.68 119.96 1tni s LEU 105 Ca -0.04 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1tni s LEU 105 Cb -0.00 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.47 1tni s LEU 105 CO -0.05 0.35 -0.15 -0.63 0.23 0.00 0.00 176.35 176.10 1tni s ILE 106 N -0.71 1.73 -0.07 -0.59 1.01 0.06 -0.35 121.20 122.28 1tni s ILE 106 Ca 0.11 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1tni s ILE 106 Cb -0.11 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1tni s ILE 106 CO 0.02 0.42 0.54 -0.75 0.00 0.00 0.00 174.94 175.17 1tni s LYS 107 N 1.41 4.32 0.33 2.79 2.20 0.07 -1.13 119.74 129.73 1tni s LYS 107 Ca 0.04 0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 55.98 1tni s LYS 107 Cb -0.14 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 1tni s LYS 107 CO -0.11 0.24 1.00 -0.51 -0.36 0.00 0.00 175.35 175.61 1tni s LEU 108 N 0.31 4.36 0.38 5.43 1.43 0.14 -0.23 118.68 130.50 1tni s LEU 108 Ca 0.29 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.46 1tni s LEU 108 Cb -0.16 -3.95 0.83 0.00 0.03 0.00 0.00 46.19 42.94 1tni s LEU 108 CO 0.14 -0.18 1.95 0.11 0.23 0.00 0.00 176.35 178.60 1tni h LYS 109 N 3.21 0.63 -4.50 1.70 1.57 -1.37 -3.42 116.57 114.38 1tni h LYS 109 Ca -0.47 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.08 1tni h LYS 109 Cb 1.20 -0.14 -0.15 0.00 0.08 0.00 0.00 32.23 33.22 1tni h LYS 109 CO 0.65 0.42 -0.69 -1.54 -0.57 0.00 0.00 179.45 177.71 1tni s SER 110 N -6.17 0.89 0.17 0.86 1.04 -1.26 -5.01 113.70 104.22 1tni s SER 110 Ca -0.09 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.08 1tni s SER 110 Cb 0.20 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 66.37 1tni s SER 110 CO 0.77 -0.49 1.15 0.00 0.98 0.00 0.00 173.24 175.65 1tni s ALA 111 N -3.52 3.40 0.62 5.32 0.00 -1.26 -4.84 121.76 121.48 1tni s ALA 111 Ca 0.08 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 1tni s ALA 111 Cb 0.05 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1tni s ALA 111 CO -0.06 -0.30 1.24 0.00 0.00 0.00 0.00 175.76 176.64 1tni s ALA 112 N -0.04 2.45 -0.52 0.00 0.00 0.64 -4.98 121.76 119.31 1tni s ALA 112 Ca 0.52 1.08 -0.22 0.00 0.00 0.00 0.00 51.96 53.34 1tni s ALA 112 Cb -0.31 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.37 1tni s ALA 112 CO 0.35 -1.38 0.79 0.45 0.00 0.00 0.00 175.76 175.97 1tni s SER 113 N -1.55 6.29 0.11 0.00 0.15 -1.26 -4.86 113.70 112.58 1tni s SER 113 Ca 0.79 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 56.61 1tni s SER 113 Cb -0.33 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 1tni s SER 113 CO 0.36 -1.05 0.83 -0.76 1.20 0.00 0.00 173.24 173.82 1tni s LEU 114 N 3.31 4.52 0.00 3.45 1.43 -1.26 -4.82 118.68 125.32 1tni s LEU 114 Ca 0.24 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1tni s LEU 114 Cb -0.15 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1tni s LEU 114 CO 0.16 0.07 0.17 -0.46 0.23 0.00 0.00 176.35 176.52 1tni n ASN 115 N 2.30 -0.47 0.33 2.29 0.23 0.49 -4.98 115.26 115.45 1tni n ASN 115 Ca -0.02 -1.56 0.22 0.00 -0.53 0.00 0.00 54.58 52.68 1tni n ASN 115 Cb 0.49 0.85 1.11 0.00 -2.08 0.00 0.00 39.78 40.15 1tni n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1tni h SER 116 N 0.60 0.00 0.00 0.53 4.64 -2.00 -2.81 113.55 114.52 1tni h SER 116 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1tni h SER 116 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1tni h SER 116 CO 0.12 0.00 -1.72 0.54 -0.87 0.00 0.00 176.83 174.90 1tni n ARG 117 N -3.11 0.62 -3.93 4.77 1.74 -1.26 -4.77 116.66 110.72 1tni n ARG 117 Ca -0.02 -0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 56.61 1tni n ARG 117 Cb 0.12 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 1tni n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tni s VAL 118 N -3.25 1.57 0.01 1.55 1.01 -1.06 -4.53 120.40 115.71 1tni s VAL 118 Ca -0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 1tni s VAL 118 Cb 0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1tni s VAL 118 CO 0.80 -0.25 -0.01 0.00 0.00 0.00 0.00 175.10 175.64 1tni s ALA 119 N 1.34 0.04 0.49 5.51 0.00 -0.93 -0.38 121.76 127.84 1tni s ALA 119 Ca -0.01 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1tni s ALA 119 Cb -0.19 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 1tni s ALA 119 CO -0.09 -0.12 0.92 -1.54 0.00 0.00 0.00 175.76 174.93 1tni s SER 120 N -1.01 6.55 -0.07 0.00 1.04 -1.26 -2.88 113.70 116.07 1tni s SER 120 Ca -0.11 1.41 -0.02 0.00 0.48 0.00 0.00 55.95 57.71 1tni s SER 120 Cb -0.07 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1tni s SER 120 CO -0.01 -0.55 0.04 -0.51 0.98 0.00 0.00 173.24 173.19 1tni s ILE 121 N -2.60 4.59 0.37 -1.02 1.10 0.21 -4.88 121.20 118.97 1tni s ILE 121 Ca 0.56 -0.22 -0.26 0.00 -0.51 0.00 0.00 60.65 60.23 1tni s ILE 121 Cb -0.10 -2.98 -0.09 0.00 0.15 0.00 0.00 42.46 39.44 1tni s ILE 121 CO 0.33 0.55 1.12 -0.44 -2.11 0.00 0.00 174.94 174.39 1tni s SER 122 N -1.10 6.77 0.57 4.50 0.01 -1.26 -4.57 113.70 118.62 1tni s SER 122 Ca 0.16 2.23 -0.17 0.00 1.31 0.00 0.00 55.95 59.48 1tni s SER 122 Cb -0.12 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1tni s SER 122 CO 0.05 -0.49 1.06 -0.76 0.41 0.00 0.00 173.24 173.51 1tni s LEU 123 N -2.30 3.59 0.49 2.44 1.43 -1.26 -0.93 118.68 122.14 1tni s LEU 123 Ca 0.54 1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 1tni s LEU 123 Cb -0.28 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.31 1tni s LEU 123 CO 0.36 -1.10 0.99 -2.16 0.23 0.00 0.00 176.35 174.67 1tni s PRO 124 N -3.82 3.97 -0.00 1.29 0.04 -1.26 -4.78 135.00 130.44 1tni s PRO 124 Ca 0.65 1.08 0.17 0.00 0.04 0.00 0.00 61.00 62.95 1tni s PRO 124 Cb -0.17 -2.14 -0.20 0.00 0.04 0.00 0.00 34.50 32.04 1tni s PRO 124 CO 0.32 -0.25 0.69 0.25 0.04 0.00 0.00 177.00 178.04 1tni n THR 125 N -1.22 0.00 -4.01 1.26 -2.24 -1.26 -4.96 114.28 101.85 1tni n THR 125 Ca 0.07 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1tni n THR 125 Cb 0.54 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 1tni n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1tni s SER 127 N -2.80 0.38 0.30 3.42 0.01 -1.26 -5.14 113.70 108.61 1tni s SER 127 Ca 0.05 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 1tni s SER 127 Cb 0.13 0.01 -0.10 0.00 0.21 0.00 0.00 66.02 66.27 1tni s SER 127 CO 0.71 -0.09 1.14 0.00 0.41 0.00 0.00 173.24 175.40 1tni s ALA 129 N -1.19 3.17 0.26 0.00 0.00 -1.26 -5.06 121.76 117.68 1tni s ALA 129 Ca 0.46 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1tni s ALA 129 Cb -0.33 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1tni s ALA 129 CO 0.43 0.20 0.58 -1.12 0.00 0.00 0.00 175.76 175.84 1tni s SER 130 N -1.99 6.62 0.23 0.00 0.01 -1.26 -5.04 113.70 112.27 1tni s SER 130 Ca 0.56 0.95 -0.30 0.00 1.31 0.00 0.00 55.95 58.47 1tni s SER 130 Cb -0.13 -2.24 -0.15 0.00 0.21 0.00 0.00 66.02 63.71 1tni s SER 130 CO 0.17 -0.12 1.01 0.00 0.41 0.00 0.00 173.24 174.71 1tni n ALA 132 N -0.32 -0.78 0.00 1.44 0.00 -1.26 -2.02 120.51 117.57 1tni n ALA 132 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1tni n ALA 132 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1tni n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tni n GLY 133 N 1.61 3.44 3.68 0.00 0.00 0.13 -4.97 105.19 109.09 1tni n GLY 133 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1tni n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tni s THR 134 N -2.78 3.02 0.21 2.61 2.01 -0.85 -4.73 115.64 115.12 1tni s THR 134 Ca 0.00 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1tni s THR 134 Cb 0.00 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 1tni s THR 134 CO 0.00 -0.01 0.94 -1.58 -0.69 0.00 0.00 174.62 173.28 1tni s GLN 135 N 2.91 4.81 0.15 4.92 0.74 -1.26 -1.10 119.66 130.83 1tni s GLN 135 Ca 0.76 1.46 0.02 0.00 0.05 0.00 0.00 55.36 57.66 1tni s GLN 135 Cb -0.40 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1tni s GLN 135 CO 0.33 0.46 -0.04 0.00 -0.55 0.00 0.00 175.29 175.49 1tni s LEU 137 N -3.14 3.16 -0.11 0.00 2.96 -0.28 -0.79 118.68 120.48 1tni s LEU 137 Ca 0.19 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1tni s LEU 137 Cb 0.05 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1tni s LEU 137 CO 0.01 -0.07 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.28 1tni s ILE 138 N 1.48 3.70 0.01 6.68 1.01 0.64 -1.92 121.20 132.79 1tni s ILE 138 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1tni s ILE 138 Cb -0.15 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 1tni s ILE 138 CO -0.02 0.55 0.09 -0.94 0.00 0.00 0.00 174.94 174.62 1tni s SER 139 N -0.22 0.08 0.00 3.58 1.04 -1.23 -0.09 113.70 116.86 1tni s SER 139 Ca 0.03 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1tni s SER 139 Cb -0.13 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1tni s SER 139 CO 0.03 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1tni n GLY 140 N 1.52 0.03 1.49 7.32 0.00 -0.67 -4.35 105.19 110.54 1tni n GLY 140 Ca -0.23 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 44.94 1tni n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tni n TRP 141 N -0.17 1.42 -1.22 1.61 8.01 -1.26 -2.22 117.44 123.62 1tni n TRP 141 Ca 0.00 -0.64 -0.29 0.00 -1.31 0.00 0.00 57.50 55.26 1tni n TRP 141 Cb 0.00 -0.26 0.21 0.00 -2.01 0.00 0.00 31.31 29.25 1tni n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1tni s GLY 142 N -1.00 1.59 0.18 6.99 0.00 -1.25 -4.34 107.32 109.49 1tni s GLY 142 Ca 0.49 -0.77 -0.33 0.00 0.00 0.00 0.00 44.72 44.12 1tni s GLY 142 CO 0.22 0.00 1.13 -2.01 0.00 0.00 0.00 173.10 172.44 1tni n ASN 143 N -4.43 1.22 -0.99 1.64 5.15 0.78 -2.43 115.26 116.20 1tni n ASN 143 Ca 0.10 1.14 0.11 0.00 -0.60 0.00 0.00 54.58 55.33 1tni n ASN 143 Cb 0.59 -1.20 0.17 0.00 -0.53 0.00 0.00 39.78 38.81 1tni n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1tni n THR 144 N 1.37 0.41 -4.81 -0.44 -2.24 -0.64 -0.21 114.28 107.72 1tni n THR 144 Ca 0.15 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 1tni n THR 144 Cb 0.25 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 1tni n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tni s LYS 145 N -1.45 3.12 0.48 -0.78 -0.14 -1.26 -4.45 119.74 115.25 1tni s LYS 145 Ca 0.32 -0.69 0.27 0.00 -1.36 0.00 0.00 55.97 54.52 1tni s LYS 145 Cb 0.20 -2.56 0.85 0.00 -1.68 0.00 0.00 37.83 34.65 1tni s LYS 145 CO 0.28 0.34 1.79 0.66 -0.76 0.00 0.00 175.35 177.66 1tni h SER 146 N 6.28 0.00 -3.22 2.83 4.64 -1.93 -3.42 113.55 118.73 1tni h SER 146 Ca -0.32 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.60 1tni h SER 146 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 1tni h SER 146 CO 0.54 0.07 -0.74 -0.94 -0.87 0.00 0.00 176.83 174.89 1tni s SER 147 N -6.01 1.58 0.00 4.97 1.04 -1.26 -4.67 113.70 109.35 1tni s SER 147 Ca 0.03 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1tni s SER 147 Cb 0.08 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1tni s SER 147 CO 0.62 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1tni n GLY 148 N 5.29 -0.06 2.91 7.32 0.00 -1.26 -5.03 105.19 114.36 1tni n GLY 148 Ca -0.05 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 1tni n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tni s THR 149 N -1.16 0.56 -0.25 2.61 -4.23 -1.26 -4.52 115.64 107.39 1tni s THR 149 Ca 0.00 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1tni s THR 149 Cb 0.00 -0.56 0.14 0.00 1.34 0.00 0.00 72.50 73.41 1tni s THR 149 CO 0.00 0.22 0.45 -0.55 -0.54 0.00 0.00 174.62 174.20 1tni s SER 150 N 0.77 -0.32 -0.23 3.99 0.15 -1.26 -5.01 113.70 111.80 1tni s SER 150 Ca -0.11 0.62 -0.17 0.00 0.70 0.00 0.00 55.95 57.00 1tni s SER 150 Cb -0.13 1.48 -0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1tni s SER 150 CO 0.00 -0.27 0.46 -0.31 1.20 0.00 0.00 173.24 174.32 1tni s TYR 151 N 2.65 3.32 0.58 3.44 1.51 -1.26 -1.61 117.35 125.98 1tni s TYR 151 Ca 0.10 0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 56.63 1tni s TYR 151 Cb -0.14 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1tni s TYR 151 CO -0.17 -0.15 1.07 -1.25 -1.11 0.00 0.00 175.55 173.94 1tni s PRO 152 N 1.82 3.33 0.10 -1.71 0.04 -1.26 -4.98 135.00 132.34 1tni s PRO 152 Ca 0.20 1.28 0.23 0.00 0.04 0.00 0.00 61.00 62.75 1tni s PRO 152 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1tni s PRO 152 CO 0.09 -0.81 0.95 -0.25 0.04 0.00 0.00 177.00 177.02 1tni n ASP 153 N -1.87 0.60 -4.77 6.66 8.00 -1.26 -4.90 116.55 119.01 1tni n ASP 153 Ca 0.09 0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.41 1tni n ASP 153 Cb 0.53 0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 42.40 1tni n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1tni s VAL 154 N -3.32 4.31 0.18 2.53 -7.23 -1.26 -1.15 120.40 114.46 1tni s VAL 154 Ca -0.00 -1.22 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 1tni s VAL 154 Cb 0.12 -3.22 -0.09 0.00 0.56 0.00 0.00 36.38 33.76 1tni s VAL 154 CO 0.81 -0.16 1.38 -0.22 -0.31 0.00 0.00 175.10 176.60 1tni s LEU 155 N -3.21 4.39 0.05 1.32 2.96 -1.23 -4.81 118.68 118.16 1tni s LEU 155 Ca 0.31 2.44 0.02 0.00 -0.22 0.00 0.00 54.13 56.68 1tni s LEU 155 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1tni s LEU 155 CO 0.23 -0.62 0.06 -0.54 -1.32 0.00 0.00 176.35 174.16 1tni s LYS 156 N 0.32 2.88 0.06 1.98 -0.14 -0.94 -1.35 119.74 122.56 1tni s LYS 156 Ca 0.61 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 54.64 1tni s LYS 156 Cb -0.38 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 1tni s LYS 156 CO 0.36 0.59 -0.20 0.00 -0.76 0.00 0.00 175.35 175.34 1tni s LEU 158 N -1.39 1.02 -0.19 0.00 2.96 0.87 -1.23 118.68 120.72 1tni s LEU 158 Ca 0.06 0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.93 1tni s LEU 158 Cb -0.09 0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1tni s LEU 158 CO 0.02 -0.13 0.37 -0.54 -1.32 0.00 0.00 176.35 174.75 1tni s LYS 159 N 1.06 4.20 -0.06 1.98 1.02 -1.26 -0.26 119.74 126.42 1tni s LYS 159 Ca -0.09 0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.00 1tni s LYS 159 Cb -0.12 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1tni s LYS 159 CO -0.04 0.04 0.19 0.00 -0.92 0.00 0.00 175.35 174.62 1tni s ALA 160 N 1.07 -0.46 0.39 5.17 0.00 0.03 -4.93 121.76 123.02 1tni s ALA 160 Ca 0.18 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 1tni s ALA 160 Cb -0.14 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1tni s ALA 160 CO 0.07 -0.12 0.85 -1.25 0.00 0.00 0.00 175.76 175.31 1tni s PRO 161 N -0.26 4.08 0.09 0.00 0.04 -1.26 -0.62 135.00 137.08 1tni s PRO 161 Ca -0.04 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.57 1tni s PRO 161 Cb -0.03 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1tni s PRO 161 CO 0.01 0.04 1.44 0.42 0.04 0.00 0.00 177.00 178.94 1tni s ILE 162 N -2.14 3.31 0.44 0.56 1.01 -0.26 -1.53 121.20 122.59 1tni s ILE 162 Ca 0.58 0.88 -0.09 0.00 0.00 0.00 0.00 60.65 62.01 1tni s ILE 162 Cb -0.10 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 1tni s ILE 162 CO 0.17 0.04 0.79 -0.76 0.00 0.00 0.00 174.94 175.19 1tni s LEU 163 N 1.62 3.74 0.60 2.97 1.43 -0.48 -0.70 118.68 127.86 1tni s LEU 163 Ca 0.66 1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 54.67 1tni s LEU 163 Cb -0.36 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1tni s LEU 163 CO 0.30 -0.47 1.29 -0.94 0.23 0.00 0.00 176.35 176.75 1tni s SER 164 N -3.45 4.94 0.28 2.29 1.04 -1.26 -4.61 113.70 112.92 1tni s SER 164 Ca 0.51 2.60 0.01 0.00 0.48 0.00 0.00 55.95 59.54 1tni s SER 164 Cb -0.10 -2.62 0.64 0.00 0.10 0.00 0.00 66.02 64.04 1tni s SER 164 CO 0.36 -1.78 1.69 0.44 0.98 0.00 0.00 173.24 174.93 1tni h ASP 165 N 0.90 0.19 0.16 7.02 5.19 -1.96 -1.70 116.42 126.21 1tni h ASP 165 Ca -0.51 0.16 -0.20 0.00 -0.62 0.00 0.00 57.03 55.86 1tni h ASP 165 Cb 1.32 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.99 1tni h ASP 165 CO 0.55 -0.03 -0.75 0.77 -3.12 0.00 0.00 179.24 176.66 1tni h SER 166 N 0.34 0.60 0.29 6.45 4.64 -1.98 0.37 113.55 124.26 1tni h SER 166 Ca 0.51 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1tni h SER 166 Cb 0.95 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1tni h SER 166 CO -0.54 1.16 -0.41 0.77 -0.87 0.00 0.00 176.83 176.94 1tni h SER 167 N 0.34 0.17 0.18 4.97 4.64 -1.89 -1.06 113.55 120.90 1tni h SER 167 Ca -0.04 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1tni h SER 167 Cb 1.34 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1tni h SER 167 CO 0.14 0.57 -0.09 0.00 -0.87 0.00 0.00 176.83 176.58 1tni h LYS 169 N -0.52 0.00 -0.11 0.00 1.57 -0.89 -2.00 116.57 114.62 1tni h LYS 169 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1tni h LYS 169 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1tni h LYS 169 CO 0.04 0.16 -0.53 0.77 -0.57 0.00 0.00 179.45 179.32 1tni h SER 170 N 0.00 0.35 0.12 0.86 0.02 -1.14 -2.55 113.55 111.21 1tni h SER 170 Ca -0.00 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 1tni h SER 170 Cb 0.30 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1tni h SER 170 CO 0.02 0.82 -0.66 0.00 -1.14 0.00 0.00 176.83 175.87 1tni h ALA 171 N 1.19 0.61 -2.12 3.77 0.00 -0.69 -3.37 119.26 118.65 1tni h ALA 171 Ca 0.01 -0.56 -0.58 0.00 0.00 0.00 0.00 54.91 53.77 1tni h ALA 171 Cb 1.01 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.33 1tni h ALA 171 CO 0.09 0.72 -0.79 0.66 0.00 0.00 0.00 179.25 179.92 1tni n TYR 172 N -3.90 2.10 -1.62 0.00 4.01 -0.80 -4.91 117.16 112.04 1tni n TYR 172 Ca -0.04 -3.93 -0.51 0.00 -0.16 0.00 0.00 57.90 53.27 1tni n TYR 172 Cb 0.67 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1tni n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1tni n PRO 173 N 1.04 1.45 -1.06 -0.72 -0.02 -0.96 -2.19 135.00 132.54 1tni n PRO 173 Ca 0.27 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 1tni n PRO 173 Cb 0.46 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1tni n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tni n GLY 174 N 2.93 0.37 0.00 -1.23 0.00 -1.26 -4.83 105.19 101.16 1tni n GLY 174 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1tni n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tni n GLN 175 N -0.80 2.34 -3.18 1.61 6.02 -0.93 -4.99 117.38 117.44 1tni n GLN 175 Ca -0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 1tni n GLN 175 Cb 0.33 -0.96 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 1tni n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tni s ILE 176 N -1.99 5.00 0.67 5.09 -1.09 -1.25 -5.03 121.20 122.61 1tni s ILE 176 Ca -0.00 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1tni s ILE 176 Cb 0.04 -3.92 0.10 0.00 -1.58 0.00 0.00 42.46 37.10 1tni s ILE 176 CO 0.21 -0.05 0.93 0.42 -1.23 0.00 0.00 174.94 175.23 1tni s THR 177 N 2.45 2.26 -1.64 2.92 -4.23 -1.26 -4.98 115.64 111.16 1tni s THR 177 Ca 0.23 -0.64 0.16 0.00 -1.18 0.00 0.00 61.69 60.26 1tni s THR 177 Cb -0.15 -2.62 0.34 0.00 1.34 0.00 0.00 72.50 71.40 1tni s THR 177 CO 0.11 0.00 1.41 -1.54 -0.54 0.00 0.00 174.62 174.06 1tni n SER 178 N -2.68 0.00 -1.48 3.99 3.41 -1.26 -2.48 113.62 113.12 1tni n SER 178 Ca 0.13 -0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1tni n SER 178 Cb 0.60 -0.18 0.34 0.00 -0.26 0.00 0.00 64.21 64.71 1tni n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tni n ASN 179 N -1.18 4.51 -4.17 4.04 3.02 -1.26 -4.92 115.26 115.30 1tni n ASN 179 Ca 0.09 -2.35 -0.22 0.00 -0.03 0.00 0.00 54.58 52.07 1tni n ASN 179 Cb 0.10 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 38.59 1tni n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tni s MET 180 N -1.66 1.11 0.09 3.52 -1.94 -1.03 -0.55 119.30 118.84 1tni s MET 180 Ca 0.49 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1tni s MET 180 Cb 0.31 -1.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 1tni s MET 180 CO 0.26 0.29 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.88 1tni s PHE 181 N -0.75 0.96 0.11 -0.03 -0.71 -0.08 -4.81 117.98 112.68 1tni s PHE 181 Ca 0.04 -0.75 -0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1tni s PHE 181 Cb -0.08 -0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 41.15 1tni s PHE 181 CO 0.01 -0.07 0.30 0.00 -1.34 0.00 0.00 175.22 174.12 1tni s ALA 183 N -1.63 -0.94 0.00 0.00 0.00 -0.80 -1.39 121.76 117.01 1tni s ALA 183 Ca 0.38 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1tni s ALA 183 Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1tni s ALA 183 CO 0.27 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1tni n GLY 184 N 2.64 0.45 2.76 0.00 0.00 -0.58 -2.99 105.19 107.46 1tni n GLY 184 Ca -0.14 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1tni n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tni s TYR 184 N -3.35 0.80 0.61 1.61 2.02 -1.26 -4.39 117.35 113.39 1tni s TYR 184 Ca 0.00 -0.40 0.33 0.00 -0.37 0.00 0.00 57.07 56.63 1tni s TYR 184 Cb 0.00 -0.89 1.90 0.00 -0.40 0.00 0.00 41.96 42.57 1tni s TYR 184 CO 0.00 -0.42 2.22 -0.07 -1.57 0.00 0.00 175.55 175.71 1tni h LEU 185 N 8.30 0.00 -3.08 -1.29 4.07 -1.96 -0.60 115.31 120.75 1tni h LEU 185 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1tni h LEU 185 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1tni h LEU 185 CO 0.29 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 177.03 1tni n GLU 186 N -3.63 4.10 0.00 1.13 -0.58 -1.26 0.58 120.64 120.98 1tni n GLU 186 Ca -0.02 -2.66 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1tni n GLU 186 Cb 0.16 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 1tni n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tni n GLY 187 N 0.68 -0.20 4.34 0.62 0.00 -0.23 -4.50 105.19 105.89 1tni n GLY 187 Ca 0.24 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1tni n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tni n GLY 188 N 0.00 1.88 2.83 -0.02 0.00 0.29 -4.85 105.19 105.32 1tni n GLY 188 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1tni n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tni s LYS 188 N 0.00 0.67 -0.03 1.61 1.02 -1.26 -3.89 119.74 117.87 1tni s LYS 188 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 1tni s LYS 188 Cb 0.00 -0.87 0.11 0.00 -0.52 0.00 0.00 37.83 36.55 1tni s LYS 188 CO 0.00 -0.19 1.05 0.34 -0.92 0.00 0.00 175.35 175.63 1tni s ASP 189 N 1.43 -0.22 0.80 2.83 -1.08 -0.58 -4.38 116.67 115.48 1tni s ASP 189 Ca -0.03 -0.10 -0.12 0.00 -0.52 0.00 0.00 52.55 51.78 1tni s ASP 189 Cb -0.13 0.30 0.08 0.00 -1.46 0.00 0.00 42.92 41.71 1tni s ASP 189 CO -0.03 -0.52 1.17 -0.94 0.52 0.00 0.00 175.17 175.37 1tni s SER 190 N -2.57 4.55 0.11 -0.34 1.04 -1.26 -0.77 113.70 114.45 1tni s SER 190 Ca 0.09 0.77 -0.02 0.00 0.48 0.00 0.00 55.95 57.27 1tni s SER 190 Cb -0.00 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.85 1tni s SER 190 CO -0.05 -1.88 0.18 0.00 0.98 0.00 0.00 173.24 172.48 1tni s GLN 192 N -2.12 4.41 0.00 0.00 1.03 -1.26 -1.70 119.66 120.03 1tni s GLN 192 Ca 0.06 2.09 0.00 0.00 0.04 0.00 0.00 55.36 57.55 1tni s GLN 192 Cb -0.01 -3.14 0.00 0.00 0.03 0.00 0.00 33.01 29.89 1tni s GLN 192 CO 0.05 -0.15 0.00 0.41 -2.54 0.00 0.00 175.29 173.05 1tni n GLY 193 N 1.54 3.34 0.16 2.60 0.00 -1.26 -0.15 105.19 111.41 1tni n GLY 193 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1tni n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tni h ASP 194 N 0.00 0.00 -1.12 1.61 3.32 -1.65 -3.33 116.42 115.25 1tni h ASP 194 Ca 0.00 -0.03 -0.72 0.00 0.02 0.00 0.00 57.03 56.31 1tni h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1tni h ASP 194 CO 0.00 0.01 -0.19 -1.20 -1.72 0.00 0.00 179.24 176.14 1tni n SER 195 N -2.72 -0.43 0.00 6.45 7.64 -1.26 -1.80 113.62 121.51 1tni n SER 195 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1tni n SER 195 Cb 0.50 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1tni n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tni n GLY 196 N 1.78 2.74 3.63 0.23 0.00 -0.05 -0.31 105.19 113.22 1tni n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1tni n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tni s GLY 197 N -1.78 1.58 0.21 -0.02 0.00 -0.74 -3.43 107.32 103.13 1tni s GLY 197 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.38 1tni s GLY 197 CO 0.00 0.44 0.69 2.56 0.00 0.00 0.00 173.10 176.79 1tni s PRO 198 N -4.80 4.19 -0.26 2.90 0.04 -1.26 -1.33 135.00 134.49 1tni s PRO 198 Ca 0.66 0.79 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1tni s PRO 198 Cb -0.20 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.51 1tni s PRO 198 CO 0.59 0.40 -0.10 0.08 0.04 0.00 0.00 177.00 178.01 1tni s VAL 199 N -1.52 2.28 -0.17 -0.36 1.01 0.28 -3.56 120.40 118.35 1tni s VAL 199 Ca 0.42 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1tni s VAL 199 Cb -0.16 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1tni s VAL 199 CO 0.21 0.03 -0.06 -0.69 0.00 0.00 0.00 175.10 174.58 1tni s VAL 200 N 1.15 3.50 -0.10 2.92 1.01 -0.81 0.09 120.40 128.16 1tni s VAL 200 Ca -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1tni s VAL 200 Cb -0.19 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1tni s VAL 200 CO -0.05 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.47 1tni n SER 202 N 5.00 -2.59 -0.15 0.00 7.64 -1.26 -2.22 113.62 120.04 1tni n SER 202 Ca -0.11 -0.79 -0.02 0.00 1.01 0.00 0.00 58.87 58.96 1tni n SER 202 Cb 0.50 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.62 1tni n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tni n GLY 203 N -1.62 0.44 3.29 0.23 0.00 -1.26 -5.02 105.19 101.24 1tni n GLY 203 Ca -0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1tni n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tni s LYS 204 N -1.32 1.79 -0.42 1.61 -0.14 -0.94 -4.21 119.74 116.12 1tni s LYS 204 Ca 0.00 -0.95 -0.28 0.00 -1.36 0.00 0.00 55.97 53.38 1tni s LYS 204 Cb 0.00 -1.84 -0.00 0.00 -1.68 0.00 0.00 37.83 34.31 1tni s LYS 204 CO 0.00 0.49 1.59 -1.17 -0.76 0.00 0.00 175.35 175.50 1tni s LEU 209 N -0.88 3.51 -0.09 3.17 2.96 -0.11 -1.08 118.68 126.17 1tni s LEU 209 Ca 0.10 0.88 0.18 0.00 -0.22 0.00 0.00 54.13 55.07 1tni s LEU 209 Cb -0.09 -3.38 -0.27 0.00 0.50 0.00 0.00 46.19 42.95 1tni s LEU 209 CO 0.00 -1.65 0.28 0.00 -1.32 0.00 0.00 176.35 173.66 1tni n GLN 210 N 8.37 0.79 -3.98 1.98 1.13 0.11 -4.06 117.38 121.73 1tni n GLN 210 Ca 0.19 -0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1tni n GLN 210 Cb 0.48 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.30 1tni n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1tni s GLY 211 N -4.60 0.47 -0.10 1.08 0.00 -0.79 -1.62 107.32 101.77 1tni s GLY 211 Ca -0.08 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1tni s GLY 211 CO 0.77 -0.98 -0.18 -0.42 0.00 0.00 0.00 173.10 172.28 1tni s ILE 212 N -3.95 1.67 -0.14 0.90 1.01 -1.06 -0.56 121.20 119.07 1tni s ILE 212 Ca 0.14 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1tni s ILE 212 Cb 0.05 -1.48 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1tni s ILE 212 CO -0.04 0.47 2.12 0.52 0.00 0.00 0.00 174.94 178.01 1tni n VAL 213 N 3.89 0.48 0.01 2.92 0.31 -0.44 -1.22 118.33 124.28 1tni n VAL 213 Ca -0.20 -0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 63.80 1tni n VAL 213 Cb 0.52 -2.35 -0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1tni n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1tni n SER 214 N 9.85 0.63 -3.10 4.52 2.88 -0.93 -0.87 113.62 126.60 1tni n SER 214 Ca 0.27 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.80 1tni n SER 214 Cb 0.40 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1tni n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1tni s TRP 215 N -1.58 0.35 0.00 0.66 1.48 -0.68 -4.92 118.94 114.25 1tni s TRP 215 Ca -0.03 -0.89 0.00 0.00 -1.06 0.00 0.00 56.10 54.12 1tni s TRP 215 Cb 0.00 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.89 1tni s TRP 215 CO 0.05 -1.42 0.00 0.41 -4.06 0.00 0.00 176.95 171.93 1tni n GLY 216 N -0.53 -0.36 3.36 3.67 0.00 -1.26 -0.77 105.19 109.30 1tni n GLY 216 Ca -0.05 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 1tni n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tni s SER 217 N 0.00 6.20 1.00 1.61 0.15 -1.26 -4.95 113.70 116.45 1tni s SER 217 Ca 0.00 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.13 1tni s SER 217 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1tni s SER 217 CO 0.00 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1tni n GLY 219 N 5.26 0.97 2.99 9.45 0.00 -1.26 -4.74 105.19 117.86 1tni n GLY 219 Ca -0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1tni n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tni n ALA 221 N 2.93 -0.29 -1.81 0.00 0.00 -1.26 -4.65 120.51 115.43 1tni n ALA 221 Ca -0.13 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1tni n ALA 221 Cb 0.57 -1.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 1tni n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tni s GLN 221 N -3.48 4.19 0.19 0.00 -1.52 -1.26 -0.54 119.66 117.25 1tni s GLN 221 Ca 0.00 1.23 -0.32 0.00 -1.95 0.00 0.00 55.36 54.32 1tni s GLN 221 Cb 0.00 -2.28 -0.11 0.00 -0.22 0.00 0.00 33.01 30.39 1tni s GLN 221 CO 0.00 -0.07 1.66 0.21 -0.25 0.00 0.00 175.29 176.84 1tni s LYS 222 N -2.97 4.16 -1.64 2.91 2.20 -1.26 -2.13 119.74 121.01 1tni s LYS 222 Ca 0.61 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.73 1tni s LYS 222 Cb -0.13 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1tni s LYS 222 CO 0.17 -0.69 0.00 0.09 -0.36 0.00 0.00 175.35 174.56 1tni n ASN 223 N 3.92 -4.59 -3.27 1.43 5.03 0.20 -4.92 115.26 113.06 1tni n ASN 223 Ca 0.15 0.29 -0.25 0.00 0.87 0.00 0.00 54.58 55.63 1tni n ASN 223 Cb 0.37 -4.03 -0.07 0.00 -1.02 0.00 0.00 39.78 35.02 1tni n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1tni n LYS 224 N -2.41 1.89 -1.11 3.52 4.76 -0.91 -4.70 118.16 119.20 1tni n LYS 224 Ca -0.18 -4.11 -0.31 0.00 -2.87 0.00 0.00 58.31 50.84 1tni n LYS 224 Cb 0.59 -1.87 0.12 0.00 -1.84 0.00 0.00 35.03 32.03 1tni n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1tni s PRO 225 N -2.17 1.63 0.50 1.97 0.04 -1.26 -4.36 135.00 131.35 1tni s PRO 225 Ca 0.39 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1tni s PRO 225 Cb 0.19 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.84 1tni s PRO 225 CO -0.06 -2.07 1.40 0.20 0.04 0.00 0.00 177.00 176.51 1tni s GLY 226 N -3.23 2.91 -0.11 0.56 0.00 -1.16 -4.69 107.32 101.60 1tni s GLY 226 Ca 0.63 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.77 1tni s GLY 226 CO 0.57 1.98 -0.12 0.14 0.00 0.00 0.00 173.10 175.68 1tni s VAL 227 N -1.25 3.19 -0.00 1.40 1.01 0.05 -1.91 120.40 122.89 1tni s VAL 227 Ca 0.67 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1tni s VAL 227 Cb -0.42 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1tni s VAL 227 CO 0.53 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.66 1tni s TYR 228 N 0.04 1.74 0.12 5.22 2.02 0.16 -1.68 117.35 124.97 1tni s TYR 228 Ca -0.04 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 1tni s TYR 228 Cb -0.14 -1.11 -0.09 0.00 -0.40 0.00 0.00 41.96 40.22 1tni s TYR 228 CO 0.04 -0.01 1.50 0.99 -1.57 0.00 0.00 175.55 176.50 1tni s THR 229 N -0.52 2.99 -0.95 -0.71 2.01 -0.36 -0.90 115.64 117.20 1tni s THR 229 Ca 0.07 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.50 1tni s THR 229 Cb -0.08 -3.43 0.05 0.00 0.01 0.00 0.00 72.50 69.05 1tni s THR 229 CO -0.00 0.04 1.41 -0.75 -0.69 0.00 0.00 174.62 174.63 1tni s LYS 230 N 1.39 3.49 0.49 4.92 2.20 0.29 -2.58 119.74 129.93 1tni s LYS 230 Ca 0.68 -0.90 0.16 0.00 -0.36 0.00 0.00 55.97 55.54 1tni s LYS 230 Cb -0.40 -5.06 1.18 0.00 -1.51 0.00 0.00 37.83 32.03 1tni s LYS 230 CO 0.31 -2.19 2.08 0.28 -0.36 0.00 0.00 175.35 175.46 1tni h VAL 231 N 6.61 0.96 0.00 4.02 2.07 -1.61 -2.22 116.25 126.07 1tni h VAL 231 Ca 0.08 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1tni h VAL 231 Cb 1.02 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1tni h VAL 231 CO 1.39 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 179.00 1tni h ASN 233 N 0.00 0.00 -0.14 0.00 4.21 -1.79 -3.32 115.58 114.54 1tni h ASN 233 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1tni h ASN 233 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1tni h ASN 233 CO 0.00 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.92 1tni n TYR 234 N -2.59 0.17 -0.27 1.19 4.01 -0.02 -4.72 117.16 114.94 1tni n TYR 234 Ca 0.03 -0.16 -0.05 0.00 -0.16 0.00 0.00 57.90 57.55 1tni n TYR 234 Cb 0.33 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 1tni n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tni h VAL 235 N 2.47 1.21 -0.12 -0.72 2.07 -1.65 -0.35 116.25 119.16 1tni h VAL 235 Ca 0.00 -0.47 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 1tni h VAL 235 Cb 0.61 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1tni h VAL 235 CO 0.00 0.22 -0.65 0.77 0.02 0.00 0.00 177.57 177.93 1tni h SER 236 N 1.01 0.54 -0.55 0.57 4.64 -1.88 -1.25 113.55 116.63 1tni h SER 236 Ca 0.26 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1tni h SER 236 Cb -0.03 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 1tni h SER 236 CO -0.05 1.04 0.28 -0.25 -0.87 0.00 0.00 176.83 176.98 1tni h TRP 237 N 0.34 0.78 -0.08 4.77 7.01 -1.75 -1.55 115.95 125.46 1tni h TRP 237 Ca -0.01 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.98 1tni h TRP 237 Cb 1.21 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 1tni h TRP 237 CO 0.04 0.59 -0.11 0.82 -2.79 0.00 0.00 178.44 177.00 1tni h ILE 238 N 0.74 0.71 -0.07 2.65 2.04 -0.97 -0.91 117.51 121.70 1tni h ILE 238 Ca 0.19 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1tni h ILE 238 Cb 0.09 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1tni h ILE 238 CO -0.03 0.00 0.03 0.11 0.00 0.00 0.00 178.15 178.27 1tni h LYS 239 N -0.14 0.09 -0.78 2.37 1.57 -1.11 -0.11 116.57 118.46 1tni h LYS 239 Ca 0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1tni h LYS 239 Cb 0.24 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1tni h LYS 239 CO -0.16 0.16 0.40 0.37 -0.57 0.00 0.00 179.45 179.65 1tni h GLN 240 N 0.00 1.11 -0.28 3.15 4.15 -1.27 -0.46 115.11 121.50 1tni h GLN 240 Ca 0.02 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 1tni h GLN 240 Cb 0.09 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1tni h GLN 240 CO -0.00 0.84 -0.05 1.15 -1.93 0.00 0.00 178.83 178.84 1tni h THR 241 N 1.09 1.27 0.00 2.39 2.02 -0.97 -2.80 112.91 115.91 1tni h THR 241 Ca 0.27 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1tni h THR 241 Cb 0.07 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1tni h THR 241 CO -0.04 0.33 -0.32 0.16 0.37 0.00 0.00 175.52 176.02 1tni h ILE 242 N 0.30 0.78 0.00 3.11 3.07 -0.71 -2.52 117.51 121.54 1tni h ILE 242 Ca 0.07 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 65.11 1tni h ILE 242 Cb 0.51 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1tni h ILE 242 CO 0.02 0.32 0.00 0.00 -1.05 0.00 0.00 178.15 177.44 1tni h ALA 243 N 1.68 1.00 -0.01 0.16 0.00 -0.93 -3.25 119.26 117.91 1tni h ALA 243 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tni h ALA 243 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1tni h ALA 243 CO 0.04 0.00 -0.09 0.43 0.00 0.00 0.00 179.25 179.63 1tni n SER 244 N -3.03 1.48 0.00 0.00 7.64 -0.98 -5.09 113.62 113.64 1tni n SER 244 Ca -0.00 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1tni n SER 244 Cb 0.23 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1tni n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62