#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43ca s VAL 2 N 0.00 4.32 -0.38 5.18 1.01 -1.26 -4.97 120.40 124.31 43ca s VAL 2 Ca 0.00 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 43ca s VAL 2 Cb 0.00 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.34 43ca s VAL 2 CO 0.00 -0.05 0.57 -0.69 0.00 0.00 0.00 175.10 174.94 43ca s VAL 3 N 2.58 4.94 -0.12 2.92 1.01 -1.26 -4.76 120.40 125.71 43ca s VAL 3 Ca 0.54 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 43ca s VAL 3 Cb -0.23 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 43ca s VAL 3 CO 0.19 -0.35 0.44 -0.04 0.00 0.00 0.00 175.10 175.35 43ca s MET 4 N 2.57 4.32 -0.12 2.72 -1.94 -1.26 -2.44 119.30 123.14 43ca s MET 4 Ca 0.21 0.39 -0.00 0.00 -1.71 0.00 0.00 55.69 54.57 43ca s MET 4 Cb -0.15 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.29 43ca s MET 4 CO 0.15 0.19 -0.09 0.99 -0.01 0.00 0.00 175.02 176.25 43ca s THR 5 N 0.55 1.13 -0.11 2.05 2.01 0.69 -4.30 115.64 117.67 43ca s THR 5 Ca 0.24 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 43ca s THR 5 Cb -0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 43ca s THR 5 CO 0.09 0.39 0.07 -1.10 -0.69 0.00 0.00 174.62 173.38 43ca s GLN 6 N 1.66 3.26 -0.00 4.92 -0.21 -1.26 -1.08 119.66 126.95 43ca s GLN 6 Ca 0.05 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.17 43ca s GLN 6 Cb -0.13 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.87 43ca s GLN 6 CO -0.09 0.72 -0.00 0.95 -2.12 0.00 0.00 175.29 174.75 43ca s THR 7 N -0.90 0.04 0.64 -0.19 -4.23 -0.99 -4.36 115.64 105.64 43ca s THR 7 Ca 0.14 -0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 43ca s THR 7 Cb -0.12 -0.05 0.04 0.00 1.34 0.00 0.00 72.50 73.72 43ca s THR 7 CO 0.03 0.01 0.92 -2.16 -0.54 0.00 0.00 174.62 172.88 43ca s PRO 8 N 0.02 2.41 0.55 3.99 0.04 -1.26 -0.86 135.00 139.90 43ca s PRO 8 Ca -0.00 -0.40 0.33 0.00 0.04 0.00 0.00 61.00 60.97 43ca s PRO 8 Cb -0.01 -2.29 1.50 0.00 0.04 0.00 0.00 34.50 33.74 43ca s PRO 8 CO -0.00 -0.98 2.05 0.66 0.04 0.00 0.00 177.00 178.76 43ca h SER 9 N -0.31 0.00 -4.26 6.66 4.64 -1.79 -3.40 113.55 115.08 43ca h SER 9 Ca -0.44 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.95 43ca h SER 9 Cb 1.30 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.17 43ca h SER 9 CO 0.58 0.07 0.51 -0.94 -0.87 0.00 0.00 176.83 176.17 43ca s SER 10 N -5.79 -0.39 -0.01 4.97 1.04 -1.26 -1.47 113.70 110.79 43ca s SER 10 Ca -0.01 0.39 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 43ca s SER 10 Cb 0.11 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.63 43ca s SER 10 CO 0.55 -0.39 0.67 -1.48 0.98 0.00 0.00 173.24 173.56 43ca s LEU 11 N -1.27 -0.63 -0.23 2.42 2.34 -0.95 -4.93 118.68 115.44 43ca s LEU 11 Ca -0.02 0.56 -0.02 0.00 0.06 0.00 0.00 54.13 54.71 43ca s LEU 11 Cb -0.00 2.53 0.01 0.00 -0.56 0.00 0.00 46.19 48.17 43ca s LEU 11 CO 0.01 -0.68 -0.08 0.00 -1.06 0.00 0.00 176.35 174.55 43ca s ALA 12 N -1.74 2.68 0.48 1.48 0.00 -1.26 -1.00 121.76 122.40 43ca s ALA 12 Ca -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.62 43ca s ALA 12 Cb -0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 43ca s ALA 12 CO 0.05 -0.58 0.17 -1.64 0.00 0.00 0.00 175.76 173.76 43ca s MET 13 N 1.38 2.20 0.14 0.00 -1.94 0.10 -4.98 119.30 116.20 43ca s MET 13 Ca 0.03 -2.10 0.10 0.00 -1.71 0.00 0.00 55.69 52.01 43ca s MET 13 Cb -0.15 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 43ca s MET 13 CO -0.05 -0.33 -0.24 0.45 -0.01 0.00 0.00 175.02 174.84 43ca s SER 14 N -3.98 3.07 0.30 3.03 0.15 -1.26 -0.99 113.70 114.01 43ca s SER 14 Ca 0.27 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.85 43ca s SER 14 Cb 0.02 -0.20 -0.13 0.00 -1.71 0.00 0.00 66.02 64.00 43ca s SER 14 CO 0.15 0.11 1.34 0.52 1.20 0.00 0.00 173.24 176.56 43ca n VAL 15 N 0.74 1.55 0.00 4.45 0.31 -1.26 -2.21 118.33 121.90 43ca n VAL 15 Ca -0.17 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 43ca n VAL 15 Cb 0.54 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 43ca n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 43ca n GLY 16 N 1.39 3.12 3.79 2.92 0.00 0.17 -4.93 105.19 111.65 43ca n GLY 16 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 43ca n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 43ca s GLN 17 N -0.38 2.60 -0.06 1.61 -0.21 -0.94 -4.23 119.66 118.05 43ca s GLN 17 Ca 0.00 1.09 -0.20 0.00 0.02 0.00 0.00 55.36 56.26 43ca s GLN 17 Cb 0.00 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 43ca s GLN 17 CO 0.00 -1.37 0.58 0.21 -2.12 0.00 0.00 175.29 172.59 43ca s LYS 18 N -4.91 4.35 -0.07 2.91 2.20 -1.24 -0.28 119.74 122.70 43ca s LYS 18 Ca 0.60 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.90 43ca s LYS 18 Cb -0.16 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 43ca s LYS 18 CO 0.54 0.22 -0.10 0.08 -0.36 0.00 0.00 175.35 175.74 43ca s VAL 19 N 0.34 3.44 -0.06 4.02 1.01 -0.18 -4.95 120.40 124.03 43ca s VAL 19 Ca 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.72 43ca s VAL 19 Cb -0.17 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.84 43ca s VAL 19 CO 0.15 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.92 43ca s THR 20 N -0.69 0.51 -0.03 3.92 2.01 -1.26 -0.56 115.64 119.55 43ca s THR 20 Ca 0.10 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.08 43ca s THR 20 Cb -0.11 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.82 43ca s THR 20 CO 0.01 0.25 -0.06 0.00 -0.69 0.00 0.00 174.62 174.14 43ca s MET 21 N 1.38 0.74 0.36 4.92 0.23 -0.51 -4.85 119.30 121.58 43ca s MET 21 Ca -0.04 -0.17 -0.01 0.00 -1.03 0.00 0.00 55.69 54.44 43ca s MET 21 Cb -0.13 -0.73 -0.04 0.00 -1.53 0.00 0.00 34.83 32.40 43ca s MET 21 CO -0.03 0.02 0.59 0.45 -2.03 0.00 0.00 175.02 174.01 43ca s SER 22 N 0.48 6.30 -0.15 -1.18 0.15 -0.04 -1.60 113.70 117.66 43ca s SER 22 Ca -0.06 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 43ca s SER 22 Cb -0.10 -2.08 0.07 0.00 -1.71 0.00 0.00 66.02 62.20 43ca s SER 22 CO 0.00 -0.33 0.34 0.00 1.20 0.00 0.00 173.24 174.45 43ca s LYS 24 N 2.06 1.12 0.24 0.00 1.02 -0.24 -0.75 119.74 123.19 43ca s LYS 24 Ca -0.04 -0.86 0.12 0.00 0.02 0.00 0.00 55.97 55.21 43ca s LYS 24 Cb -0.11 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 43ca s LYS 24 CO -0.11 0.30 -0.21 -1.54 -0.92 0.00 0.00 175.35 172.87 43ca s SER 25 N -1.21 3.57 0.19 2.83 1.04 -0.16 -0.22 113.70 119.75 43ca s SER 25 Ca 0.04 -0.94 0.25 0.00 0.48 0.00 0.00 55.95 55.79 43ca s SER 25 Cb -0.08 -0.31 0.89 0.00 0.10 0.00 0.00 66.02 66.62 43ca s SER 25 CO 0.02 0.07 1.77 -1.54 0.98 0.00 0.00 173.24 174.54 43ca n SER 26 N -0.25 0.67 -4.08 7.02 3.41 -1.02 -4.76 113.62 114.61 43ca n SER 26 Ca -0.08 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 58.98 43ca n SER 26 Cb 0.58 -0.76 -0.12 0.00 -0.26 0.00 0.00 64.21 63.66 43ca n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 43ca s GLN 27 N -3.14 0.57 0.00 4.33 -1.52 -1.26 -4.99 119.66 113.65 43ca s GLN 27 Ca 0.09 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 43ca s GLN 27 Cb 0.12 -0.37 0.00 0.00 -0.22 0.00 0.00 33.01 32.54 43ca s GLN 27 CO 0.53 0.07 0.00 0.45 -0.25 0.00 0.00 175.29 176.09 43ca n SER 27 N 1.45 -0.62 -2.06 5.90 2.88 -1.26 -4.71 113.62 115.21 43ca n SER 27 Ca -0.22 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 43ca n SER 27 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 43ca n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 43ca n LEU 27 N 0.00 -5.92 -4.57 2.46 7.94 -1.26 -4.96 117.00 110.69 43ca n LEU 27 Ca 0.00 2.77 -0.42 0.00 -1.11 0.00 0.00 56.01 57.25 43ca n LEU 27 Cb 0.00 -2.98 -0.03 0.00 0.53 0.00 0.00 43.42 40.94 43ca n LEU 27 CO 0.00 -2.08 1.12 0.21 -1.11 0.00 0.00 177.39 175.53 43ca s ASN 27 N -0.50 6.35 -0.95 1.96 2.47 0.03 -4.92 114.94 119.38 43ca s ASN 27 Ca 0.00 -0.06 -0.24 0.00 0.42 0.00 0.00 52.86 52.98 43ca s ASN 27 Cb 0.00 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 37.18 43ca s ASN 27 CO 0.00 -1.60 1.99 -0.63 -3.72 0.00 0.00 177.10 173.14 43ca s ILE 27 N 5.24 3.42 0.00 -5.21 1.01 -1.26 -0.54 121.20 123.86 43ca s ILE 27 Ca 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.62 43ca s ILE 27 Cb -0.08 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.36 43ca s ILE 27 CO 0.22 -0.85 0.00 -0.24 0.00 0.00 0.00 174.94 174.07 43ca n SER 27 N 14.61 0.00 0.00 3.58 2.88 -1.26 -4.87 113.62 128.55 43ca n SER 27 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 43ca n SER 27 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 43ca n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 43ca n ASN 28 N 0.00 0.56 -1.90 -3.46 6.94 -1.08 -5.01 115.26 111.30 43ca n ASN 28 Ca 0.00 -1.15 -0.14 0.00 -0.02 0.00 0.00 54.58 53.27 43ca n ASN 28 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 43ca n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 43ca n GLN 29 N -0.07 -1.69 -3.56 -3.83 1.13 0.30 -4.96 117.38 104.69 43ca n GLN 29 Ca 0.00 0.78 -0.35 0.00 -1.94 0.00 0.00 57.00 55.48 43ca n GLN 29 Cb 0.24 -5.21 -0.06 0.00 0.11 0.00 0.00 30.24 25.32 43ca n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 43ca s LYS 30 N -4.09 3.79 -0.30 -1.09 1.02 -1.24 -4.81 119.74 113.02 43ca s LYS 30 Ca 0.00 0.23 -0.14 0.00 0.02 0.00 0.00 55.97 56.07 43ca s LYS 30 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 43ca s LYS 30 CO 0.00 0.58 0.33 -0.80 -0.92 0.00 0.00 175.35 174.54 43ca s ASN 31 N -1.63 6.17 -1.34 2.83 0.01 -1.26 -0.79 114.94 118.94 43ca s ASN 31 Ca 0.31 0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.33 43ca s ASN 31 Cb -0.14 -2.19 0.10 0.00 0.41 0.00 0.00 41.25 39.43 43ca s ASN 31 CO 0.17 -0.22 1.88 -1.22 -1.51 0.00 0.00 177.10 176.20 43ca n TYR 32 N 5.30 3.99 -3.82 2.20 4.02 -1.26 -3.20 117.16 124.39 43ca n TYR 32 Ca -0.10 -2.96 -0.16 0.00 -0.01 0.00 0.00 57.90 54.67 43ca n TYR 32 Cb 0.50 -2.40 -0.16 0.00 -0.02 0.00 0.00 39.34 37.26 43ca n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 43ca s LEU 33 N 2.23 1.10 0.19 7.72 2.96 -1.26 -1.18 118.68 130.43 43ca s LEU 33 Ca 0.47 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 54.48 43ca s LEU 33 Cb 0.07 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 43ca s LEU 33 CO -0.01 -0.12 -0.07 0.00 -1.32 0.00 0.00 176.35 174.83 43ca s ALA 34 N 1.07 3.00 -0.02 5.97 0.00 -0.28 -0.53 121.76 130.97 43ca s ALA 34 Ca -0.09 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.45 43ca s ALA 34 Cb -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 43ca s ALA 34 CO -0.03 0.45 -0.19 -1.58 0.00 0.00 0.00 175.76 174.41 43ca s TRP 35 N -1.77 1.74 0.12 0.00 0.52 0.45 -1.35 118.94 118.66 43ca s TRP 35 Ca 0.26 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 56.07 43ca s TRP 35 Cb -0.09 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 43ca s TRP 35 CO 0.16 -0.06 -0.15 0.71 0.02 0.00 0.00 176.95 177.64 43ca s TYR 36 N -0.35 1.42 -0.06 -1.98 1.51 0.42 -0.50 117.35 117.80 43ca s TYR 36 Ca 0.05 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 43ca s TYR 36 Cb -0.08 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 43ca s TYR 36 CO -0.00 0.15 -0.24 -1.14 -1.11 0.00 0.00 175.55 173.21 43ca s GLN 37 N -2.56 2.52 -0.09 -0.62 0.74 -0.49 -2.02 119.66 117.12 43ca s GLN 37 Ca 0.08 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 43ca s GLN 37 Cb -0.06 -2.10 0.03 0.00 1.10 0.00 0.00 33.01 31.98 43ca s GLN 37 CO 0.03 0.34 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.95 43ca s GLN 38 N -0.07 0.85 0.15 1.67 0.74 0.33 -0.61 119.66 122.72 43ca s GLN 38 Ca -0.06 -0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.36 43ca s GLN 38 Cb -0.14 -1.19 -0.03 0.00 1.10 0.00 0.00 33.01 32.74 43ca s GLN 38 CO 0.04 -0.31 0.29 0.15 -0.55 0.00 0.00 175.29 174.91 43ca s LYS 39 N 1.90 3.44 -0.04 1.67 1.02 -1.26 -1.66 119.74 124.81 43ca s LYS 39 Ca 0.05 -0.60 -0.40 0.00 0.02 0.00 0.00 55.97 55.03 43ca s LYS 39 Cb -0.13 -2.96 -0.19 0.00 -0.52 0.00 0.00 37.83 34.03 43ca s LYS 39 CO -0.06 0.52 1.19 -2.30 -0.92 0.00 0.00 175.35 173.78 43ca n PRO 40 N -0.58 0.24 -2.49 -1.68 -0.02 -1.26 -1.82 135.00 127.39 43ca n PRO 40 Ca -0.07 0.09 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 43ca n PRO 40 Cb 0.54 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 43ca n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 43ca n GLY 41 N 2.00 -0.47 3.15 -1.23 0.00 -1.26 -4.99 105.19 102.39 43ca n GLY 41 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 43ca n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 43ca s GLN 42 N -5.13 0.77 0.52 1.61 -0.21 -0.76 -5.14 119.66 111.33 43ca s GLN 42 Ca 0.05 -1.24 -0.18 0.00 0.02 0.00 0.00 55.36 54.01 43ca s GLN 42 Cb -0.02 -0.18 -0.07 0.00 1.00 0.00 0.00 33.01 33.74 43ca s GLN 42 CO 0.07 -0.02 1.02 -1.12 -2.12 0.00 0.00 175.29 173.12 43ca s SER 43 N -2.82 6.29 0.75 5.90 0.01 -1.26 -4.62 113.70 117.95 43ca s SER 43 Ca 0.08 1.77 -0.11 0.00 1.31 0.00 0.00 55.95 59.01 43ca s SER 43 Cb 0.03 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.77 43ca s SER 43 CO -0.04 -0.82 1.08 -2.16 0.41 0.00 0.00 173.24 171.71 43ca s PRO 44 N -3.72 2.48 0.02 12.44 0.04 -1.26 -4.63 135.00 140.37 43ca s PRO 44 Ca 0.63 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.81 43ca s PRO 44 Cb -0.14 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 43ca s PRO 44 CO 0.28 -1.45 -0.25 0.15 0.04 0.00 0.00 177.00 175.77 43ca s LYS 45 N -4.97 1.80 0.11 4.56 3.01 0.22 -4.93 119.74 119.55 43ca s LYS 45 Ca 0.60 -0.98 -0.30 0.00 -1.01 0.00 0.00 55.97 54.28 43ca s LYS 45 Cb -0.16 -1.87 -0.07 0.00 -1.01 0.00 0.00 37.83 34.73 43ca s LYS 45 CO 0.56 0.49 1.20 -1.17 0.51 0.00 0.00 175.35 176.94 43ca s LEU 46 N -0.94 4.41 -0.19 3.17 2.96 -1.26 -1.40 118.68 125.43 43ca s LEU 46 Ca 0.10 2.11 -0.10 0.00 -0.22 0.00 0.00 54.13 56.02 43ca s LEU 46 Cb -0.09 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 43ca s LEU 46 CO 0.01 -0.43 -0.25 0.18 -1.32 0.00 0.00 176.35 174.54 43ca n LEU 47 N 3.33 1.41 -3.89 -0.68 4.77 0.34 -4.77 117.00 117.51 43ca n LEU 47 Ca 0.07 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 43ca n LEU 47 Cb 0.46 -0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 43ca n LEU 47 CO 0.56 0.33 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.90 43ca s VAL 48 N -2.39 0.02 0.32 4.08 1.01 -1.06 -0.54 120.40 121.84 43ca s VAL 48 Ca -0.27 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.56 43ca s VAL 48 Cb 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.34 43ca s VAL 48 CO 0.34 -0.10 0.04 -0.72 0.00 0.00 0.00 175.10 174.66 43ca s TYR 49 N -0.30 1.96 -1.21 5.22 1.13 -0.06 -0.41 117.35 123.67 43ca s TYR 49 Ca -0.03 -0.92 -0.06 0.00 -1.41 0.00 0.00 57.07 54.65 43ca s TYR 49 Cb -0.02 -1.26 0.05 0.00 -1.10 0.00 0.00 41.96 39.63 43ca s TYR 49 CO -0.00 0.05 0.36 1.19 -2.51 0.00 0.00 175.55 174.64 43ca n PHE 50 N -0.67 -1.71 0.00 -3.49 3.72 -1.07 -1.50 117.46 112.75 43ca n PHE 50 Ca -0.03 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 43ca n PHE 50 Cb 0.66 -2.97 0.00 0.00 -0.94 0.00 0.00 39.48 36.23 43ca n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 43ca n ALA 51 N -3.16 0.00 -0.01 4.37 0.00 0.32 -4.22 120.51 117.81 43ca n ALA 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 43ca n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 43ca n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 43ca n SER 52 N 0.23 0.00 -4.67 0.00 3.41 -1.05 -2.98 113.62 108.56 43ca n SER 52 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 43ca n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 43ca n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 43ca s THR 53 N 0.00 4.46 0.31 6.66 2.01 -0.56 -4.59 115.64 123.93 43ca s THR 53 Ca 0.00 1.76 -0.28 0.00 0.31 0.00 0.00 61.69 63.48 43ca s THR 53 Cb 0.00 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 43ca s THR 53 CO 0.00 -0.10 1.08 -0.13 -0.69 0.00 0.00 174.62 174.78 43ca s ARG 54 N 2.97 4.51 0.51 4.92 0.52 -1.26 -0.89 118.95 130.23 43ca s ARG 54 Ca 0.51 1.71 -0.18 0.00 -0.52 0.00 0.00 55.73 57.25 43ca s ARG 54 Cb -0.20 -3.01 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 43ca s ARG 54 CO 0.14 0.12 1.03 -2.00 0.02 0.00 0.00 175.30 174.60 43ca s GLU 55 N -1.74 3.73 0.26 3.54 2.56 0.30 -4.89 118.70 122.46 43ca s GLU 55 Ca 0.48 1.23 -0.31 0.00 0.00 0.00 0.00 54.97 56.37 43ca s GLU 55 Cb -0.29 -2.09 -0.13 0.00 2.00 0.00 0.00 34.13 33.62 43ca s GLU 55 CO 0.37 -0.47 1.45 0.43 -0.56 0.00 0.00 175.26 176.48 43ca n SER 56 N -1.33 3.07 0.00 -1.70 7.64 -1.26 -1.85 113.62 118.19 43ca n SER 56 Ca 0.08 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.11 43ca n SER 56 Cb 0.53 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 43ca n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 43ca n GLY 57 N 2.04 3.33 3.69 0.23 0.00 -1.26 -5.04 105.19 108.17 43ca n GLY 57 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 43ca n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 43ca s VAL 58 N -2.31 4.24 0.94 1.61 1.01 -0.77 -5.01 120.40 120.11 43ca s VAL 58 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 43ca s VAL 58 Cb 0.00 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.44 43ca s VAL 58 CO 0.00 -0.00 0.61 -2.65 0.00 0.00 0.00 175.10 173.06 43ca n PRO 59 N 5.21 -0.36 0.16 2.72 -0.02 -1.26 -4.88 135.00 136.57 43ca n PRO 59 Ca 0.11 -0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.67 43ca n PRO 59 Cb 0.46 -2.00 0.49 0.00 -0.02 0.00 0.00 33.50 32.43 43ca n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 43ca h ASP 60 N -1.67 0.00 0.46 2.55 3.32 -2.00 -3.05 116.42 116.03 43ca h ASP 60 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 43ca h ASP 60 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 43ca h ASP 60 CO 0.36 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 175.77 43ca n ARG 61 N -2.47 0.06 -3.36 3.56 1.85 -1.26 -4.52 116.66 110.53 43ca n ARG 61 Ca 0.03 0.36 -0.42 0.00 -1.00 0.00 0.00 57.85 56.82 43ca n ARG 61 Cb 0.31 -1.64 -0.09 0.00 -1.05 0.00 0.00 32.46 29.99 43ca n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 43ca s PHE 62 N -3.13 3.19 -0.15 2.89 0.08 -1.15 -1.00 117.98 118.71 43ca s PHE 62 Ca 0.05 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 43ca s PHE 62 Cb 0.08 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.77 43ca s PHE 62 CO 0.26 -0.58 -0.08 0.96 -0.10 0.00 0.00 175.22 175.68 43ca s ILE 63 N 2.08 1.19 0.26 0.64 -0.00 -0.00 -4.95 121.20 120.40 43ca s ILE 63 Ca 0.12 -0.55 -0.17 0.00 -0.00 0.00 0.00 60.65 60.05 43ca s ILE 63 Cb -0.17 -1.27 -0.08 0.00 -0.00 0.00 0.00 42.46 40.94 43ca s ILE 63 CO 0.13 0.25 0.70 -0.83 -0.00 0.00 0.00 174.94 175.19 43ca s GLY 64 N 1.62 2.47 0.27 6.27 0.00 -1.26 -0.86 107.32 115.83 43ca s GLY 64 Ca 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.68 43ca s GLY 64 CO -0.08 0.34 0.53 -1.35 0.00 0.00 0.00 173.10 172.54 43ca s SER 65 N -1.95 -0.02 0.00 1.64 1.04 0.17 -4.47 113.70 110.10 43ca s SER 65 Ca 0.47 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.96 43ca s SER 65 Cb -0.14 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.62 43ca s SER 65 CO 0.19 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.80 43ca n GLY 66 N -0.42 0.74 3.72 7.32 0.00 -1.26 -0.94 105.19 114.34 43ca n GLY 66 Ca -0.02 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 43ca n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 43ca s SER 67 N 0.00 -0.15 0.33 1.61 1.04 -1.17 -4.94 113.70 110.41 43ca s SER 67 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 43ca s SER 67 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 43ca s SER 67 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 43ca n GLY 68 N -0.47 1.41 0.00 7.32 0.00 -1.26 -3.10 105.19 109.09 43ca n GLY 68 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 43ca n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 43ca n THR 69 N 0.00 0.00 -3.97 2.61 -2.24 -1.26 -4.18 114.28 105.25 43ca n THR 69 Ca 0.00 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 43ca n THR 69 Cb 0.00 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 43ca n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 43ca s ASP 70 N -0.61 2.98 0.32 3.42 1.01 -1.18 -0.98 116.67 121.63 43ca s ASP 70 Ca 0.00 -0.69 0.09 0.00 0.71 0.00 0.00 52.55 52.66 43ca s ASP 70 Cb 0.00 -1.11 -0.06 0.00 1.01 0.00 0.00 42.92 42.76 43ca s ASP 70 CO 0.00 -0.13 -0.10 -0.36 0.21 0.00 0.00 175.17 174.79 43ca s PHE 71 N 1.50 2.27 0.01 4.23 0.40 0.07 -3.05 117.98 123.42 43ca s PHE 71 Ca 0.01 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 43ca s PHE 71 Cb -0.15 -1.27 -0.00 0.00 0.51 0.00 0.00 43.02 42.11 43ca s PHE 71 CO -0.09 0.52 0.12 0.99 0.70 0.00 0.00 175.22 177.47 43ca s THR 72 N -2.70 0.09 -0.11 0.64 2.01 -0.11 -1.56 115.64 113.90 43ca s THR 72 Ca 0.31 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.60 43ca s THR 72 Cb 0.02 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.10 43ca s THR 72 CO 0.15 -0.40 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.31 43ca s LEU 73 N -1.43 1.74 0.10 4.42 2.96 -0.62 -0.65 118.68 125.19 43ca s LEU 73 Ca -0.14 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 43ca s LEU 73 Cb -0.08 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 43ca s LEU 73 CO 0.01 0.02 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.94 43ca s THR 74 N 0.98 2.53 -0.38 3.68 2.01 -0.03 -1.42 115.64 123.00 43ca s THR 74 Ca -0.07 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.42 43ca s THR 74 Cb -0.15 -2.11 0.11 0.00 0.01 0.00 0.00 72.50 70.37 43ca s THR 74 CO -0.02 0.17 0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 43ca s ILE 75 N -1.03 1.52 0.31 1.82 1.01 0.28 -0.82 121.20 124.28 43ca s ILE 75 Ca 0.15 -2.17 0.04 0.00 0.00 0.00 0.00 60.65 58.67 43ca s ILE 75 Cb -0.10 -2.11 0.37 0.00 0.01 0.00 0.00 42.46 40.63 43ca s ILE 75 CO 0.07 -0.74 1.60 0.77 0.00 0.00 0.00 174.94 176.63 43ca h SER 76 N 7.38 -0.23 -2.04 3.58 4.64 -1.34 -0.45 113.55 125.10 43ca h SER 76 Ca -0.07 0.25 -0.36 0.00 -0.47 0.00 0.00 61.79 61.14 43ca h SER 76 Cb 0.97 0.39 -0.32 0.00 -0.31 0.00 0.00 62.40 63.13 43ca h SER 76 CO 0.51 -0.30 -0.67 -0.55 -0.87 0.00 0.00 176.83 174.94 43ca s SER 77 N -4.98 1.40 0.37 4.97 0.15 -1.25 -3.72 113.70 110.64 43ca s SER 77 Ca -0.12 -1.29 -0.28 0.00 0.70 0.00 0.00 55.95 54.95 43ca s SER 77 Cb 0.28 0.52 -0.11 0.00 -1.71 0.00 0.00 66.02 65.00 43ca s SER 77 CO 0.78 -0.31 1.47 0.54 1.20 0.00 0.00 173.24 176.92 43ca s VAL 78 N 1.76 2.14 0.15 4.45 0.11 0.62 -4.64 120.40 125.00 43ca s VAL 78 Ca 0.14 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 43ca s VAL 78 Cb -0.15 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 43ca s VAL 78 CO -0.14 0.03 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.51 43ca s GLN 79 N -1.96 2.25 0.33 1.54 -0.21 -1.26 0.45 119.66 120.79 43ca s GLN 79 Ca 0.53 -1.11 0.12 0.00 0.02 0.00 0.00 55.36 54.92 43ca s GLN 79 Cb -0.46 -2.30 1.00 0.00 1.00 0.00 0.00 33.01 32.26 43ca s GLN 79 CO 0.61 0.47 1.69 0.00 -2.12 0.00 0.00 175.29 175.93 43ca h ALA 80 N 3.03 1.88 0.00 6.09 0.00 -1.96 0.27 119.26 128.56 43ca h ALA 80 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 43ca h ALA 80 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 43ca h ALA 80 CO 0.56 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.50 43ca n GLU 81 N -5.00 0.65 0.00 0.00 0.28 -1.26 -2.62 120.64 112.69 43ca n GLU 81 Ca 0.30 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.43 43ca n GLU 81 Cb 0.89 -1.21 0.34 0.00 1.43 0.00 0.00 31.44 32.89 43ca n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 43ca n ASP 82 N -0.71 1.98 -4.60 -1.84 8.00 0.95 -4.86 116.55 115.48 43ca n ASP 82 Ca 0.06 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.53 43ca n ASP 82 Cb 0.03 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 43ca n ASP 82 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 43ca s GLN 83 N -2.08 3.34 0.08 -1.24 0.74 -1.08 -4.86 119.66 114.56 43ca s GLN 83 Ca 0.32 1.59 -0.07 0.00 0.05 0.00 0.00 55.36 57.25 43ca s GLN 83 Cb 0.20 -4.22 0.02 0.00 1.10 0.00 0.00 33.01 30.12 43ca s GLN 83 CO 0.36 -1.85 0.33 0.00 -0.55 0.00 0.00 175.29 173.58 43ca n ALA 84 N 10.38 -0.83 -2.74 1.58 0.00 -1.14 -4.90 120.51 122.85 43ca n ALA 84 Ca 0.24 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 43ca n ALA 84 Cb 0.46 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 43ca n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 43ca s ASP 85 N -1.79 5.57 -0.11 0.00 1.01 -0.66 -1.03 116.67 119.66 43ca s ASP 85 Ca 0.07 0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.60 43ca s ASP 85 Cb -0.01 -1.64 0.01 0.00 1.01 0.00 0.00 42.92 42.28 43ca s ASP 85 CO 0.02 0.38 -0.21 -0.31 0.21 0.00 0.00 175.17 175.26 43ca s TYR 86 N -0.94 2.42 0.13 4.23 1.51 0.51 -0.52 117.35 124.69 43ca s TYR 86 Ca 0.14 -1.07 0.09 0.00 -1.01 0.00 0.00 57.07 55.23 43ca s TYR 86 Cb -0.12 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 43ca s TYR 86 CO 0.03 -0.46 -0.23 -0.06 -1.11 0.00 0.00 175.55 173.72 43ca s PHE 87 N 0.56 1.99 0.05 2.71 0.08 -0.86 -0.81 117.98 121.70 43ca s PHE 87 Ca -0.14 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 56.59 43ca s PHE 87 Cb -0.17 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 43ca s PHE 87 CO 0.04 0.29 -0.26 0.00 -0.10 0.00 0.00 175.22 175.19 43ca s GLN 89 N -1.30 0.80 -0.12 0.00 0.74 -0.46 -0.30 119.66 119.03 43ca s GLN 89 Ca 0.11 -0.33 -0.17 0.00 0.05 0.00 0.00 55.36 55.02 43ca s GLN 89 Cb -0.10 -0.77 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 43ca s GLN 89 CO 0.02 0.19 0.43 1.14 -0.55 0.00 0.00 175.29 176.52 43ca s GLN 90 N -0.14 4.28 -0.15 1.67 1.03 -0.11 -1.13 119.66 125.11 43ca s GLN 90 Ca 0.02 0.37 0.17 0.00 0.04 0.00 0.00 55.36 55.96 43ca s GLN 90 Cb -0.05 -3.41 0.42 0.00 0.03 0.00 0.00 33.01 30.01 43ca s GLN 90 CO -0.00 0.23 1.31 0.72 -2.54 0.00 0.00 175.29 175.00 43ca n HIS 91 N 3.46 0.55 -0.05 9.60 8.25 -0.33 -3.79 115.22 132.92 43ca n HIS 91 Ca -0.09 -0.91 -0.09 0.00 -0.26 0.00 0.00 57.72 56.37 43ca n HIS 91 Cb 0.52 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.31 43ca n HIS 91 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 43ca h TYR 92 N 1.07 -0.03 -3.76 4.41 3.20 -1.93 -3.48 116.97 116.46 43ca h TYR 92 Ca 0.00 -0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.47 43ca h TYR 92 Cb 1.24 0.01 -0.19 0.00 1.54 0.00 0.00 36.73 39.33 43ca h TYR 92 CO 0.29 0.57 -0.76 1.03 -1.64 0.00 0.00 178.16 177.64 43ca s ARG 93 N -2.19 0.90 0.22 1.82 1.81 -1.26 -5.11 118.95 115.15 43ca s ARG 93 Ca -0.12 -1.11 -0.23 0.00 -1.72 0.00 0.00 55.73 52.56 43ca s ARG 93 Cb -0.02 -0.80 -0.08 0.00 -0.45 0.00 0.00 34.95 33.60 43ca s ARG 93 CO 0.44 0.16 0.78 0.00 -0.68 0.00 0.00 175.30 176.00 43ca s ALA 94 N -1.85 3.39 0.12 2.13 0.00 -1.26 -3.03 121.76 121.26 43ca s ALA 94 Ca 0.04 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 43ca s ALA 94 Cb -0.07 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 43ca s ALA 94 CO 0.02 0.29 0.98 -1.25 0.00 0.00 0.00 175.76 175.80 43ca s PRO 95 N -1.72 4.69 -1.10 0.00 0.04 -1.26 -4.71 135.00 130.94 43ca s PRO 95 Ca 0.42 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 43ca s PRO 95 Cb -0.19 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 43ca s PRO 95 CO 0.23 0.20 1.87 1.03 0.04 0.00 0.00 177.00 180.37 43ca s ARG 96 N -0.07 2.80 0.56 4.56 0.52 -1.17 -4.73 118.95 121.42 43ca s ARG 96 Ca 0.47 -1.02 -0.19 0.00 -0.52 0.00 0.00 55.73 54.47 43ca s ARG 96 Cb -0.24 -5.24 -0.05 0.00 0.52 0.00 0.00 34.95 29.94 43ca s ARG 96 CO 0.31 -3.43 1.17 0.95 0.02 0.00 0.00 175.30 174.31 43ca s THR 97 N 9.34 2.91 0.28 0.02 -4.23 -1.25 -4.69 115.64 118.02 43ca s THR 97 Ca 0.65 0.57 0.07 0.00 -1.18 0.00 0.00 61.69 61.81 43ca s THR 97 Cb -0.02 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 43ca s THR 97 CO 0.07 -0.11 0.20 -0.36 -0.54 0.00 0.00 174.62 173.88 43ca s PHE 98 N -1.67 3.01 0.94 3.99 0.40 -1.26 -0.94 117.98 122.45 43ca s PHE 98 Ca 0.74 -0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.75 43ca s PHE 98 Cb -0.27 -1.50 0.20 0.00 0.51 0.00 0.00 43.02 41.96 43ca s PHE 98 CO 0.30 0.43 1.29 0.20 0.70 0.00 0.00 175.22 178.15 43ca s GLY 99 N -3.87 1.79 0.26 4.36 0.00 0.59 -4.59 107.32 105.86 43ca s GLY 99 Ca 0.35 -1.30 0.14 0.00 0.00 0.00 0.00 44.72 43.91 43ca s GLY 99 CO 0.25 -0.54 1.42 -1.33 0.00 0.00 0.00 173.10 172.90 43ca h GLY 100 N -1.54 0.00 0.00 0.20 0.00 -1.90 -3.45 103.07 96.37 43ca h GLY 100 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 43ca h GLY 100 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.52 43ca n GLY 101 N 1.24 2.67 2.90 4.60 0.00 -1.26 -5.04 105.19 110.29 43ca n GLY 101 Ca 0.02 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 43ca n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 43ca s THR 102 N -2.66 0.91 -0.48 2.61 2.01 0.01 -4.52 115.64 113.52 43ca s THR 102 Ca 0.00 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 43ca s THR 102 Cb 0.00 -0.94 0.05 0.00 0.01 0.00 0.00 72.50 71.62 43ca s THR 102 CO 0.00 0.34 0.57 -0.75 -0.69 0.00 0.00 174.62 174.10 43ca s LYS 103 N 1.60 3.13 -0.37 4.92 2.20 -0.54 -0.36 119.74 130.32 43ca s LYS 103 Ca 0.02 -0.82 -0.20 0.00 -0.36 0.00 0.00 55.97 54.61 43ca s LYS 103 Cb -0.13 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 43ca s LYS 103 CO -0.06 -1.10 0.61 -1.17 -0.36 0.00 0.00 175.35 173.27 43ca s LEU 104 N 2.49 4.32 -0.22 5.43 2.96 -0.19 -2.23 118.68 131.23 43ca s LEU 104 Ca 0.15 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 43ca s LEU 104 Cb -0.18 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 43ca s LEU 104 CO 0.13 -0.60 0.14 -0.70 -1.32 0.00 0.00 176.35 174.00 43ca s GLU 105 N 2.66 4.11 -0.25 1.98 2.12 -0.17 -2.87 118.70 126.28 43ca s GLU 105 Ca 0.23 -0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 43ca s GLU 105 Cb -0.15 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 43ca s GLU 105 CO 0.15 0.17 0.07 0.42 -0.54 0.00 0.00 175.26 175.53 43ca s ILE 106 N 0.73 4.34 -2.16 -3.70 -1.09 -1.26 -0.72 121.20 117.34 43ca s ILE 106 Ca 0.07 -0.16 0.31 0.00 -2.23 0.00 0.00 60.65 58.64 43ca s ILE 106 Cb -0.12 -3.02 0.80 0.00 -1.58 0.00 0.00 42.46 38.53 43ca s ILE 106 CO 0.01 0.34 2.08 0.29 -1.23 0.00 0.00 174.94 176.44