#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr5 s ILE 2 N 0.00 5.20 -0.22 5.18 1.01 -1.26 -4.95 121.20 126.16 3hr5 s ILE 2 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 3hr5 s ILE 2 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3hr5 s ILE 2 CO 0.00 0.23 0.64 -1.58 0.00 0.00 0.00 174.94 174.23 3hr5 s GLN 3 N 1.74 4.18 -0.32 2.79 2.00 -1.26 -4.83 119.66 123.96 3hr5 s GLN 3 Ca 0.07 0.62 -0.08 0.00 -2.00 0.00 0.00 55.36 53.97 3hr5 s GLN 3 Cb -0.16 -3.60 0.02 0.00 0.80 0.00 0.00 33.01 30.07 3hr5 s GLN 3 CO 0.10 -0.31 0.12 -1.64 -0.50 0.00 0.00 175.29 173.06 3hr5 s MET 4 N 2.13 2.93 -0.18 1.67 -1.94 -1.26 -2.76 119.30 119.89 3hr5 s MET 4 Ca 0.28 -0.98 -0.03 0.00 -1.71 0.00 0.00 55.69 53.26 3hr5 s MET 4 Cb -0.16 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.19 3hr5 s MET 4 CO 0.10 -0.55 -0.07 0.99 -0.01 0.00 0.00 175.02 175.47 3hr5 s THR 5 N 1.49 3.33 0.10 2.05 2.01 -0.61 -3.97 115.64 120.03 3hr5 s THR 5 Ca 0.01 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.50 3hr5 s THR 5 Cb -0.18 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 3hr5 s THR 5 CO 0.04 0.47 0.21 -1.10 -0.69 0.00 0.00 174.62 173.54 3hr5 s GLN 6 N 0.93 3.32 -0.05 4.92 -0.21 -1.26 -0.45 119.66 126.85 3hr5 s GLN 6 Ca -0.01 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 3hr5 s GLN 6 Cb -0.15 -2.94 0.04 0.00 1.00 0.00 0.00 33.01 30.96 3hr5 s GLN 6 CO 0.00 0.57 0.10 -1.12 -2.12 0.00 0.00 175.29 172.72 3hr5 s SER 7 N -2.75 0.10 1.01 5.90 0.01 0.38 -4.46 113.70 113.88 3hr5 s SER 7 Ca 0.34 0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 3hr5 s SER 7 Cb -0.12 0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.25 3hr5 s SER 7 CO 0.27 -0.16 0.28 -0.81 0.41 0.00 0.00 173.24 173.23 3hr5 n PRO 8 N 4.36 -0.59 0.08 12.44 -0.04 -1.26 -0.45 135.00 149.54 3hr5 n PRO 8 Ca -0.24 -0.44 0.06 0.00 -0.04 0.00 0.00 63.50 62.84 3hr5 n PRO 8 Cb 0.51 -0.32 -0.03 0.00 -0.04 0.00 0.00 33.50 33.62 3hr5 n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hr5 h SER 9 N -0.64 0.00 -5.02 3.54 0.02 -1.80 -3.41 113.55 106.24 3hr5 h SER 9 Ca -0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3hr5 h SER 9 Cb 0.27 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.69 3hr5 h SER 9 CO 0.07 0.30 0.13 -0.94 -1.14 0.00 0.00 176.83 175.24 3hr5 s SER 10 N -5.67 -0.46 -0.06 3.07 1.04 -1.26 -0.21 113.70 110.15 3hr5 s SER 10 Ca -0.01 -0.12 -0.31 0.00 0.48 0.00 0.00 55.95 55.99 3hr5 s SER 10 Cb 0.09 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.86 3hr5 s SER 10 CO 0.79 -0.95 0.74 -1.48 0.98 0.00 0.00 173.24 173.32 3hr5 s LEU 11 N -2.77 -0.60 -0.13 2.42 0.05 0.17 -4.89 118.68 112.93 3hr5 s LEU 11 Ca 0.02 0.64 0.00 0.00 0.05 0.00 0.00 54.13 54.84 3hr5 s LEU 11 Cb -0.00 2.41 -0.01 0.00 -2.05 0.00 0.00 46.19 46.54 3hr5 s LEU 11 CO -0.12 -0.57 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.53 3hr5 s SER 12 N -1.22 3.87 0.03 1.48 0.01 -1.26 0.27 113.70 116.88 3hr5 s SER 12 Ca -0.09 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3hr5 s SER 12 Cb -0.00 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 3hr5 s SER 12 CO 0.08 0.15 -0.04 0.00 0.41 0.00 0.00 173.24 173.83 3hr5 s ALA 13 N 0.44 0.35 0.78 1.44 0.00 -0.46 -4.85 121.76 119.45 3hr5 s ALA 13 Ca -0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 3hr5 s ALA 13 Cb -0.16 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.16 3hr5 s ALA 13 CO 0.05 -0.16 1.15 -1.12 0.00 0.00 0.00 175.76 175.68 3hr5 s SER 14 N -1.81 4.80 0.27 0.00 0.01 -1.26 0.51 113.70 116.22 3hr5 s SER 14 Ca -0.09 0.93 -0.30 0.00 1.31 0.00 0.00 55.95 57.80 3hr5 s SER 14 Cb -0.06 -1.55 -0.10 0.00 0.21 0.00 0.00 66.02 64.52 3hr5 s SER 14 CO -0.02 -1.73 1.47 -0.69 0.41 0.00 0.00 173.24 172.68 3hr5 s VAL 15 N -3.47 2.49 0.00 3.43 1.01 -1.26 -2.76 120.40 119.85 3hr5 s VAL 15 Ca 0.61 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3hr5 s VAL 15 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3hr5 s VAL 15 CO 0.50 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3hr5 n GLY 16 N 2.07 1.51 3.77 4.51 0.00 0.12 -4.87 105.19 112.30 3hr5 n GLY 16 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3hr5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hr5 s ASP 17 N -2.83 5.35 -0.14 1.61 1.11 -1.11 -4.30 116.67 116.36 3hr5 s ASP 17 Ca 0.00 2.10 -0.20 0.00 0.18 0.00 0.00 52.55 54.63 3hr5 s ASP 17 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 3hr5 s ASP 17 CO 0.00 -1.47 0.57 -0.60 1.18 0.00 0.00 175.17 174.85 3hr5 s ARG 18 N -3.71 4.30 -0.07 8.23 3.52 -1.26 -0.72 118.95 129.24 3hr5 s ARG 18 Ca 0.70 0.58 0.03 0.00 -0.13 0.00 0.00 55.73 56.91 3hr5 s ARG 18 Cb -0.22 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3hr5 s ARG 18 CO 0.35 -0.01 -0.17 0.08 -0.81 0.00 0.00 175.30 174.73 3hr5 s VAL 19 N 1.15 1.51 -0.12 7.11 1.01 -0.43 -5.00 120.40 125.63 3hr5 s VAL 19 Ca 0.29 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3hr5 s VAL 19 Cb -0.16 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3hr5 s VAL 19 CO 0.12 0.44 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 3hr5 s THR 20 N 0.39 1.82 -0.13 3.92 2.01 -1.26 -0.14 115.64 122.25 3hr5 s THR 20 Ca -0.13 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3hr5 s THR 20 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3hr5 s THR 20 CO 0.05 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.70 3hr5 s ILE 21 N 0.85 2.78 -0.13 1.82 1.01 0.13 -4.74 121.20 122.93 3hr5 s ILE 21 Ca -0.08 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 3hr5 s ILE 21 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3hr5 s ILE 21 CO -0.01 0.53 0.09 -0.89 0.00 0.00 0.00 174.94 174.66 3hr5 s THR 22 N 0.46 5.06 -0.08 2.92 2.01 0.41 -0.47 115.64 125.94 3hr5 s THR 22 Ca -0.11 0.05 0.05 0.00 0.31 0.00 0.00 61.69 61.98 3hr5 s THR 22 Cb -0.16 -3.21 -0.00 0.00 0.01 0.00 0.00 72.50 69.14 3hr5 s THR 22 CO 0.05 0.57 -0.23 0.00 -0.69 0.00 0.00 174.62 174.32 3hr5 s ARG 24 N 0.19 2.92 0.24 0.00 3.52 0.40 -0.36 118.95 125.86 3hr5 s ARG 24 Ca -0.13 -0.87 -0.05 0.00 -0.13 0.00 0.00 55.73 54.55 3hr5 s ARG 24 Cb -0.16 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.88 3hr5 s ARG 24 CO 0.07 0.26 0.50 -1.12 -0.81 0.00 0.00 175.30 174.20 3hr5 s SER 25 N 0.16 6.47 0.00 -2.12 0.01 0.15 -1.58 113.70 116.80 3hr5 s SER 25 Ca -0.13 0.69 0.25 0.00 1.31 0.00 0.00 55.95 58.07 3hr5 s SER 25 Cb -0.16 -2.13 0.65 0.00 0.21 0.00 0.00 66.02 64.58 3hr5 s SER 25 CO 0.07 -0.11 1.51 -1.54 0.41 0.00 0.00 173.24 173.58 3hr5 n SER 26 N -0.60 2.25 -3.63 2.44 3.41 -1.11 -4.90 113.62 111.48 3hr5 n SER 26 Ca -0.02 -1.75 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 3hr5 n SER 26 Cb 0.53 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3hr5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hr5 s GLN 27 N -1.92 0.74 0.42 4.33 0.74 -1.26 -4.94 119.66 117.76 3hr5 s GLN 27 Ca 0.34 0.84 -0.26 0.00 0.05 0.00 0.00 55.36 56.32 3hr5 s GLN 27 Cb 0.20 0.36 -0.09 0.00 1.10 0.00 0.00 33.01 34.58 3hr5 s GLN 27 CO 0.31 -0.10 1.45 -1.54 -0.55 0.00 0.00 175.29 174.87 3hr5 s SER 28 N 0.26 6.07 0.00 6.67 1.04 -1.26 -4.76 113.70 121.71 3hr5 s SER 28 Ca 0.01 2.97 0.22 0.00 0.48 0.00 0.00 55.95 59.62 3hr5 s SER 28 Cb -0.05 -2.66 0.59 0.00 0.10 0.00 0.00 66.02 64.01 3hr5 s SER 28 CO -0.01 -1.05 1.50 0.18 0.98 0.00 0.00 173.24 174.84 3hr5 n LEU 29 N 0.08 3.82 -4.66 2.42 4.77 -1.14 -4.89 117.00 117.40 3hr5 n LEU 29 Ca 0.03 -1.95 -0.43 0.00 -0.03 0.00 0.00 56.01 53.64 3hr5 n LEU 29 Cb 0.41 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3hr5 n LEU 29 CO 0.61 0.94 1.30 -0.69 -1.33 0.00 0.00 177.39 178.22 3hr5 s VAL 30 N -1.04 3.77 1.00 4.08 1.01 -1.26 -3.37 120.40 124.58 3hr5 s VAL 30 Ca 0.46 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.22 3hr5 s VAL 30 Cb 0.24 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 33.18 3hr5 s VAL 30 CO 0.32 -0.12 1.16 -2.28 0.00 0.00 0.00 175.10 174.18 3hr5 s HIS 31 N 4.09 1.85 0.40 5.22 2.46 0.10 -4.96 115.29 124.45 3hr5 s HIS 31 Ca 0.68 0.68 0.15 0.00 0.47 0.00 0.00 55.06 57.05 3hr5 s HIS 31 Cb -0.29 -3.53 0.92 0.00 -0.13 0.00 0.00 32.58 29.55 3hr5 s HIS 31 CO 0.26 -2.81 1.92 -0.91 -2.47 0.00 0.00 174.74 170.72 3hr5 h ASN 32 N -1.81 0.00 0.00 9.88 2.35 -1.95 -2.87 115.58 121.18 3hr5 h ASN 32 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3hr5 h ASN 32 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3hr5 h ASN 32 CO 0.51 0.27 0.00 -0.46 -1.65 0.00 0.00 177.43 176.10 3hr5 n ASN 33 N -4.11 0.00 0.00 5.81 0.23 -1.26 -4.88 115.26 111.05 3hr5 n ASN 33 Ca -0.02 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 3hr5 n ASN 33 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3hr5 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hr5 n ALA 34 N -0.63 0.00 -1.94 -2.53 0.00 -1.08 -5.02 120.51 109.30 3hr5 n ALA 34 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 3hr5 n ALA 34 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 3hr5 n ALA 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hr5 s ASN 35 N -3.48 6.44 -0.31 0.00 0.01 -1.26 -4.76 114.94 111.58 3hr5 s ASN 35 Ca 0.00 1.39 0.03 0.00 -0.71 0.00 0.00 52.86 53.57 3hr5 s ASN 35 Cb 0.00 -2.44 0.09 0.00 0.41 0.00 0.00 41.25 39.31 3hr5 s ASN 35 CO 0.00 -0.65 0.02 0.28 -1.51 0.00 0.00 177.10 175.24 3hr5 s THR 36 N -2.78 2.00 -1.42 1.60 -1.32 -1.26 0.03 115.64 112.49 3hr5 s THR 36 Ca 0.55 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.90 3hr5 s THR 36 Cb -0.10 -2.40 0.07 0.00 -1.51 0.00 0.00 72.50 68.55 3hr5 s THR 36 CO 0.40 -0.47 2.15 -1.22 -2.21 0.00 0.00 174.62 173.27 3hr5 n TYR 37 N 4.40 3.42 -4.21 9.09 4.02 -1.22 -4.09 117.16 128.58 3hr5 n TYR 37 Ca -0.01 -2.94 -0.34 0.00 -0.01 0.00 0.00 57.90 54.60 3hr5 n TYR 37 Cb 0.42 -2.43 -0.12 0.00 -0.02 0.00 0.00 39.34 37.19 3hr5 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3hr5 s LEU 38 N 1.73 3.34 0.16 7.72 2.96 -1.26 -1.96 118.68 131.37 3hr5 s LEU 38 Ca 0.45 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 3hr5 s LEU 38 Cb 0.13 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3hr5 s LEU 38 CO -0.07 0.13 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.95 3hr5 s HIS 39 N 0.62 1.49 -0.04 5.38 3.76 -0.00 -0.38 115.29 126.13 3hr5 s HIS 39 Ca -0.01 -0.60 0.05 0.00 -0.15 0.00 0.00 55.06 54.35 3hr5 s HIS 39 Cb -0.14 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 3hr5 s HIS 39 CO 0.02 0.21 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.35 3hr5 s TRP 40 N -2.68 1.85 0.11 1.40 0.52 0.10 -0.46 118.94 119.78 3hr5 s TRP 40 Ca 0.15 -0.47 0.10 0.00 0.02 0.00 0.00 56.10 55.91 3hr5 s TRP 40 Cb -0.02 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 3hr5 s TRP 40 CO 0.04 -0.12 -0.27 0.71 0.02 0.00 0.00 176.95 177.33 3hr5 s TYR 41 N -0.18 2.29 -0.15 -1.98 2.02 0.25 -0.79 117.35 118.82 3hr5 s TYR 41 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3hr5 s TYR 41 Cb -0.10 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3hr5 s TYR 41 CO 0.01 0.28 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.95 3hr5 s GLN 42 N -1.83 3.13 -0.21 -0.62 0.74 -0.33 -0.82 119.66 119.71 3hr5 s GLN 42 Ca 0.13 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.76 3hr5 s GLN 42 Cb -0.10 -2.54 0.03 0.00 1.10 0.00 0.00 33.01 31.51 3hr5 s GLN 42 CO 0.05 0.01 -0.17 -1.14 -0.55 0.00 0.00 175.29 173.49 3hr5 s GLN 43 N 0.81 2.72 0.53 1.67 0.74 0.73 -0.26 119.66 126.60 3hr5 s GLN 43 Ca -0.06 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.30 3hr5 s GLN 43 Cb -0.15 -2.68 -0.00 0.00 1.10 0.00 0.00 33.01 31.27 3hr5 s GLN 43 CO -0.01 -0.34 0.82 0.15 -0.55 0.00 0.00 175.29 175.37 3hr5 s LYS 44 N 1.23 3.08 0.10 1.67 1.02 -1.26 -1.85 119.74 123.72 3hr5 s LYS 44 Ca 0.00 -0.08 -0.34 0.00 0.02 0.00 0.00 55.97 55.57 3hr5 s LYS 44 Cb -0.15 -2.36 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 3hr5 s LYS 44 CO -0.10 -0.49 1.63 -2.30 -0.92 0.00 0.00 175.35 173.17 3hr5 n PRO 45 N -2.39 2.09 -2.30 -1.68 -0.02 -1.26 -2.40 135.00 127.03 3hr5 n PRO 45 Ca 0.03 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 62.13 3hr5 n PRO 45 Cb 0.57 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3hr5 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hr5 n GLY 46 N 3.60 -0.27 3.22 -1.23 0.00 -1.26 -4.97 105.19 104.27 3hr5 n GLY 46 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3hr5 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hr5 s LYS 47 N -4.79 0.96 0.80 1.61 -0.14 -1.01 -5.14 119.74 112.02 3hr5 s LYS 47 Ca 0.00 -1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 53.34 3hr5 s LYS 47 Cb 0.00 -0.90 0.08 0.00 -1.68 0.00 0.00 37.83 35.33 3hr5 s LYS 47 CO 0.00 0.18 1.18 0.00 -0.76 0.00 0.00 175.35 175.95 3hr5 s ALA 48 N -1.81 1.89 0.60 5.17 0.00 -1.26 -4.42 121.76 121.92 3hr5 s ALA 48 Ca 0.05 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 3hr5 s ALA 48 Cb -0.07 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3hr5 s ALA 48 CO 0.03 -2.21 1.27 -2.14 0.00 0.00 0.00 175.76 172.70 3hr5 s PRO 49 N -4.24 2.90 -0.05 0.00 0.02 -1.26 -4.53 135.00 127.84 3hr5 s PRO 49 Ca 0.71 1.99 0.05 0.00 0.02 0.00 0.00 61.00 63.77 3hr5 s PRO 49 Cb -0.26 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 3hr5 s PRO 49 CO 0.51 -1.31 -0.21 0.15 -0.33 0.00 0.00 177.00 175.81 3hr5 s LYS 50 N -3.23 2.44 -0.08 5.54 1.02 0.64 -4.94 119.74 121.13 3hr5 s LYS 50 Ca 0.77 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 3hr5 s LYS 50 Cb -0.35 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3hr5 s LYS 50 CO 0.38 0.52 1.41 -1.17 -0.92 0.00 0.00 175.35 175.57 3hr5 s LEU 51 N -0.48 4.26 -0.18 3.17 2.96 -1.26 -1.19 118.68 125.96 3hr5 s LEU 51 Ca 0.06 1.96 -0.16 0.00 -0.22 0.00 0.00 54.13 55.77 3hr5 s LEU 51 Cb -0.12 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 3hr5 s LEU 51 CO 0.01 -0.79 -0.30 0.18 -1.32 0.00 0.00 176.35 174.13 3hr5 n LEU 52 N 6.35 1.91 -4.14 -0.68 4.77 0.03 -4.63 117.00 120.62 3hr5 n LEU 52 Ca 0.14 0.39 -0.26 0.00 -0.03 0.00 0.00 56.01 56.26 3hr5 n LEU 52 Cb 0.44 -0.78 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 3hr5 n LEU 52 CO 0.58 -0.22 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.29 3hr5 s ILE 53 N -2.73 1.40 0.23 -0.08 -1.09 -1.09 -0.47 121.20 117.36 3hr5 s ILE 53 Ca -0.27 -0.71 0.10 0.00 -2.23 0.00 0.00 60.65 57.54 3hr5 s ILE 53 Cb 0.05 -1.20 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 3hr5 s ILE 53 CO 0.40 0.40 -0.19 -0.72 -1.23 0.00 0.00 174.94 173.60 3hr5 s TYR 54 N -0.05 2.09 -1.14 3.97 1.13 0.13 0.01 117.35 123.50 3hr5 s TYR 54 Ca -0.02 -0.41 -0.28 0.00 -1.41 0.00 0.00 57.07 54.95 3hr5 s TYR 54 Cb -0.10 -0.97 0.04 0.00 -1.10 0.00 0.00 41.96 39.83 3hr5 s TYR 54 CO 0.02 0.53 0.66 1.63 -2.51 0.00 0.00 175.55 175.88 3hr5 n LYS 55 N -0.22 -0.48 0.00 -3.49 5.02 -0.69 -1.41 118.16 116.89 3hr5 n LYS 55 Ca -0.09 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3hr5 n LYS 55 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 3hr5 n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hr5 n VAL 56 N -4.59 0.00 -0.76 -0.18 0.31 0.49 -3.88 118.33 109.72 3hr5 n VAL 56 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3hr5 n VAL 56 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 3hr5 n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hr5 n SER 57 N 1.37 0.13 -4.59 4.52 3.41 -1.19 -3.03 113.62 114.23 3hr5 n SER 57 Ca 0.00 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 3hr5 n SER 57 Cb 0.00 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3hr5 n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3hr5 s ASN 58 N -0.02 6.60 -0.05 4.04 0.01 -0.50 -4.56 114.94 120.46 3hr5 s ASN 58 Ca 0.00 0.40 -0.30 0.00 -0.71 0.00 0.00 52.86 52.25 3hr5 s ASN 58 Cb 0.00 -2.45 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 3hr5 s ASN 58 CO 0.00 -0.91 1.43 -0.60 -1.51 0.00 0.00 177.10 175.51 3hr5 s ARG 59 N 3.53 4.25 0.62 -0.60 3.52 -1.26 -0.69 118.95 128.31 3hr5 s ARG 59 Ca 0.37 1.95 -0.17 0.00 -0.13 0.00 0.00 55.73 57.75 3hr5 s ARG 59 Cb -0.11 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.53 3hr5 s ARG 59 CO 0.21 -0.68 1.12 0.12 -0.81 0.00 0.00 175.30 175.27 3hr5 s PHE 60 N 3.08 2.60 0.08 5.12 5.99 0.38 -4.90 117.98 130.33 3hr5 s PHE 60 Ca 0.64 1.55 -0.36 0.00 0.00 0.00 0.00 56.93 58.76 3hr5 s PHE 60 Cb -0.30 -3.24 -0.18 0.00 0.00 0.00 0.00 43.02 39.31 3hr5 s PHE 60 CO 0.24 -1.72 1.05 0.43 -0.00 0.00 0.00 175.22 175.22 3hr5 n SER 61 N -2.04 0.37 0.00 6.13 7.64 -1.26 -1.34 113.62 123.12 3hr5 n SER 61 Ca 0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.13 3hr5 n SER 61 Cb 0.51 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3hr5 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hr5 n GLY 62 N 1.86 0.86 3.70 0.23 0.00 -1.26 -5.00 105.19 105.59 3hr5 n GLY 62 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hr5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr5 s VAL 63 N -3.54 4.96 0.64 1.61 1.01 -0.45 -5.03 120.40 119.59 3hr5 s VAL 63 Ca 0.00 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 3hr5 s VAL 63 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3hr5 s VAL 63 CO 0.00 0.17 1.17 -2.65 0.00 0.00 0.00 175.10 173.79 3hr5 n PRO 64 N 4.16 1.01 0.00 2.72 -0.02 -1.26 -4.88 135.00 136.73 3hr5 n PRO 64 Ca 0.02 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3hr5 n PRO 64 Cb 0.51 -2.40 0.52 0.00 -0.02 0.00 0.00 33.50 32.11 3hr5 n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hr5 n SER 65 N -1.51 0.00 0.05 2.55 3.41 -1.26 -2.58 113.62 114.28 3hr5 n SER 65 Ca 0.15 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 3hr5 n SER 65 Cb 0.48 -0.27 0.50 0.00 -0.26 0.00 0.00 64.21 64.66 3hr5 n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hr5 n ARG 66 N -1.27 0.11 -3.43 4.33 1.85 -1.26 -4.63 116.66 112.35 3hr5 n ARG 66 Ca 0.10 0.14 -0.39 0.00 -1.00 0.00 0.00 57.85 56.70 3hr5 n ARG 66 Cb 0.16 -1.64 -0.10 0.00 -1.05 0.00 0.00 32.46 29.84 3hr5 n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hr5 s PHE 67 N -3.06 3.24 0.13 2.89 0.08 -1.07 -0.18 117.98 120.01 3hr5 s PHE 67 Ca 0.11 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.50 3hr5 s PHE 67 Cb 0.15 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 3hr5 s PHE 67 CO 0.52 -0.22 0.00 -1.54 -0.10 0.00 0.00 175.22 173.88 3hr5 s SER 68 N 1.67 0.79 0.16 1.36 1.04 -0.84 -4.91 113.70 112.97 3hr5 s SER 68 Ca 0.13 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.50 3hr5 s SER 68 Cb -0.16 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3hr5 s SER 68 CO 0.10 -0.61 -0.15 -0.83 0.98 0.00 0.00 173.24 172.74 3hr5 s GLY 69 N -3.07 1.25 0.04 7.32 0.00 -1.26 -1.51 107.32 110.10 3hr5 s GLY 69 Ca 0.19 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.19 3hr5 s GLY 69 CO -0.01 -1.55 0.57 -0.56 0.00 0.00 0.00 173.10 171.56 3hr5 s SER 70 N -2.85 -0.51 0.00 1.64 0.01 -0.50 -4.42 113.70 107.06 3hr5 s SER 70 Ca 0.16 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.69 3hr5 s SER 70 Cb -0.03 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.72 3hr5 s SER 70 CO 0.05 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.57 3hr5 n GLY 71 N 0.40 2.98 3.38 3.44 0.00 -1.26 0.13 105.19 114.25 3hr5 n GLY 71 Ca -0.18 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 3hr5 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hr5 s SER 72 N 0.00 -0.47 0.32 1.61 1.04 -1.16 -4.97 113.70 110.08 3hr5 s SER 72 Ca 0.00 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.20 3hr5 s SER 72 Cb 0.00 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3hr5 s SER 72 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 3hr5 n GLY 73 N 2.23 0.86 0.12 7.32 0.00 -1.26 -2.97 105.19 111.49 3hr5 n GLY 73 Ca -0.16 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hr5 n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hr5 n THR 74 N 0.00 1.45 -3.99 2.61 -1.04 -1.26 -2.88 114.28 109.17 3hr5 n THR 74 Ca 0.00 -0.71 -0.34 0.00 -2.04 0.00 0.00 64.05 60.96 3hr5 n THR 74 Cb 0.00 -0.99 -0.15 0.00 -1.82 0.00 0.00 70.33 67.38 3hr5 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hr5 s ASP 75 N -6.06 4.10 0.33 8.00 1.01 -1.16 0.34 116.67 123.23 3hr5 s ASP 75 Ca -0.23 -0.81 0.08 0.00 0.71 0.00 0.00 52.55 52.31 3hr5 s ASP 75 Cb 0.08 -1.63 -0.06 0.00 1.01 0.00 0.00 42.92 42.31 3hr5 s ASP 75 CO 0.71 -0.10 -0.08 -0.36 0.21 0.00 0.00 175.17 175.56 3hr5 s PHE 76 N 1.32 2.26 -0.10 4.23 0.40 0.52 -2.99 117.98 123.62 3hr5 s PHE 76 Ca 0.01 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 3hr5 s PHE 76 Cb -0.16 -1.31 0.04 0.00 0.51 0.00 0.00 43.02 42.10 3hr5 s PHE 76 CO -0.06 0.48 0.25 0.99 0.70 0.00 0.00 175.22 177.58 3hr5 s THR 77 N -2.75 -0.03 -0.18 0.64 2.01 0.12 -0.63 115.64 114.82 3hr5 s THR 77 Ca 0.32 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 3hr5 s THR 77 Cb 0.03 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3hr5 s THR 77 CO 0.15 0.04 0.02 -0.22 -0.69 0.00 0.00 174.62 173.92 3hr5 s LEU 78 N 0.92 3.48 -0.09 4.42 2.96 0.38 -1.41 118.68 129.33 3hr5 s LEU 78 Ca -0.07 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3hr5 s LEU 78 Cb -0.08 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3hr5 s LEU 78 CO -0.06 0.13 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.12 3hr5 s THR 79 N 0.59 3.43 -0.31 3.68 2.01 -0.57 0.21 115.64 124.68 3hr5 s THR 79 Ca 0.00 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 3hr5 s THR 79 Cb -0.14 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.97 3hr5 s THR 79 CO 0.02 0.56 0.11 -0.63 -0.69 0.00 0.00 174.62 173.99 3hr5 s ILE 80 N -0.30 4.15 0.22 1.82 1.01 0.80 -1.98 121.20 126.93 3hr5 s ILE 80 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3hr5 s ILE 80 Cb -0.13 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 3hr5 s ILE 80 CO 0.03 0.02 1.52 0.77 0.00 0.00 0.00 174.94 177.27 3hr5 h SER 81 N 8.28 0.16 -1.72 3.58 4.64 -0.84 -1.15 113.55 126.49 3hr5 h SER 81 Ca -0.30 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 3hr5 h SER 81 Cb 1.12 -0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 62.88 3hr5 h SER 81 CO 0.61 0.80 -0.54 -0.55 -0.87 0.00 0.00 176.83 176.29 3hr5 s SER 82 N -6.88 0.43 0.13 4.97 0.15 -1.25 -4.02 113.70 107.24 3hr5 s SER 82 Ca -0.02 -0.39 -0.31 0.00 0.70 0.00 0.00 55.95 55.93 3hr5 s SER 82 Cb 0.12 1.09 -0.08 0.00 -1.71 0.00 0.00 66.02 65.43 3hr5 s SER 82 CO 0.79 -0.35 1.39 -0.22 1.20 0.00 0.00 173.24 176.05 3hr5 s LEU 83 N 2.54 4.38 0.21 3.45 2.96 0.10 -4.64 118.68 127.68 3hr5 s LEU 83 Ca 0.10 2.36 0.08 0.00 -0.22 0.00 0.00 54.13 56.46 3hr5 s LEU 83 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3hr5 s LEU 83 CO -0.30 -0.65 -0.01 -1.10 -1.32 0.00 0.00 176.35 172.97 3hr5 s GLN 84 N 0.89 2.33 0.36 1.98 -1.52 -1.26 0.16 119.66 122.59 3hr5 s GLN 84 Ca 0.64 -1.24 0.08 0.00 -1.95 0.00 0.00 55.36 52.88 3hr5 s GLN 84 Cb -0.37 -2.26 0.78 0.00 -0.22 0.00 0.00 33.01 30.93 3hr5 s GLN 84 CO 0.32 0.42 1.90 -1.35 -0.25 0.00 0.00 175.29 176.32 3hr5 h PRO 85 N 2.39 0.71 0.00 2.91 0.11 -1.89 0.11 132.00 136.33 3hr5 h PRO 85 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hr5 h PRO 85 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hr5 h PRO 85 CO 0.58 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 3hr5 n GLU 86 N -4.53 0.08 -0.00 1.05 0.00 -1.03 -3.06 120.64 113.15 3hr5 n GLU 86 Ca 0.15 0.23 0.13 0.00 0.00 0.00 0.00 57.16 57.67 3hr5 n GLU 86 Cb 0.38 -1.50 0.74 0.00 0.00 0.00 0.00 31.44 31.06 3hr5 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hr5 n ASP 87 N -1.41 0.05 -4.68 -1.84 8.00 0.37 -4.82 116.55 112.22 3hr5 n ASP 87 Ca 0.04 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 3hr5 n ASP 87 Cb 0.13 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3hr5 n ASP 87 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hr5 s PHE 88 N -2.00 2.02 0.00 1.24 2.19 -1.17 -4.87 117.98 115.38 3hr5 s PHE 88 Ca 0.38 0.03 0.00 0.00 0.33 0.00 0.00 56.93 57.66 3hr5 s PHE 88 Cb 0.17 -4.08 0.00 0.00 -1.31 0.00 0.00 43.02 37.80 3hr5 s PHE 88 CO 0.29 -4.54 0.00 0.00 1.83 0.00 0.00 175.22 172.81 3hr5 n ALA 89 N 6.29 0.00 -2.90 11.12 0.00 -1.20 -4.81 120.51 129.01 3hr5 n ALA 89 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3hr5 n ALA 89 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 3hr5 n ALA 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hr5 s THR 90 N -2.00 4.18 -0.14 0.00 2.01 -0.77 -0.77 115.64 118.14 3hr5 s THR 90 Ca 0.00 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 3hr5 s THR 90 Cb 0.00 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 3hr5 s THR 90 CO 0.00 0.49 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.11 3hr5 s TYR 91 N 0.31 3.12 -0.08 4.92 1.51 -0.30 -0.19 117.35 126.65 3hr5 s TYR 91 Ca -0.01 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3hr5 s TYR 91 Cb -0.13 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 3hr5 s TYR 91 CO 0.02 0.16 -0.20 0.71 -1.11 0.00 0.00 175.55 175.13 3hr5 s TYR 92 N 0.02 2.12 0.43 2.71 1.51 -0.00 -0.88 117.35 123.24 3hr5 s TYR 92 Ca 0.03 -0.80 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 3hr5 s TYR 92 Cb -0.13 -1.44 -0.06 0.00 -0.11 0.00 0.00 41.96 40.22 3hr5 s TYR 92 CO 0.02 -0.33 0.80 0.00 -1.11 0.00 0.00 175.55 174.93 3hr5 s SER 94 N -3.23 -0.07 0.05 0.00 1.04 0.39 -1.44 113.70 110.44 3hr5 s SER 94 Ca 0.52 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 57.01 3hr5 s SER 94 Cb -0.10 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3hr5 s SER 94 CO 0.33 -0.33 -0.18 0.00 0.98 0.00 0.00 173.24 174.03 3hr5 s GLN 95 N -1.08 2.03 0.00 4.02 1.03 -0.46 -0.82 119.66 124.38 3hr5 s GLN 95 Ca -0.12 -1.01 0.00 0.00 0.04 0.00 0.00 55.36 54.27 3hr5 s GLN 95 Cb -0.06 -2.18 0.00 0.00 0.03 0.00 0.00 33.01 30.80 3hr5 s GLN 95 CO 0.02 0.53 0.66 0.09 -2.54 0.00 0.00 175.29 174.05 3hr5 n ASN 96 N 1.44 1.20 0.08 12.60 5.03 -0.83 -2.89 115.26 131.90 3hr5 n ASN 96 Ca -0.16 -1.41 -0.22 0.00 0.87 0.00 0.00 54.58 53.66 3hr5 n ASN 96 Cb 0.52 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.13 3hr5 n ASN 96 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 3hr5 h THR 97 N 0.43 1.43 -2.71 3.41 1.35 -1.87 -3.46 112.91 111.49 3hr5 h THR 97 Ca 0.00 -2.59 -0.60 0.00 -0.55 0.00 0.00 66.41 62.67 3hr5 h THR 97 Cb 0.37 3.14 -0.12 0.00 -1.73 0.00 0.00 68.15 69.80 3hr5 h THR 97 CO 0.00 0.75 -0.69 -0.76 -0.25 0.00 0.00 175.52 174.56 3hr5 s LEU 98 N -7.80 3.06 -0.18 3.87 1.02 -1.26 -4.97 118.68 112.42 3hr5 s LEU 98 Ca -0.12 -0.60 -0.07 0.00 0.02 0.00 0.00 54.13 53.36 3hr5 s LEU 98 Cb 0.02 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 3hr5 s LEU 98 CO 0.87 0.07 0.07 -0.69 0.02 0.00 0.00 176.35 176.69 3hr5 s VAL 99 N -1.93 4.85 0.60 -1.59 1.01 -1.26 -3.26 120.40 118.81 3hr5 s VAL 99 Ca 0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 3hr5 s VAL 99 Cb -0.08 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3hr5 s VAL 99 CO 0.17 0.47 1.16 -2.16 0.00 0.00 0.00 175.10 174.74 3hr5 s PRO 100 N 0.24 3.01 0.16 2.72 0.04 -1.26 -4.85 135.00 135.05 3hr5 s PRO 100 Ca 0.04 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3hr5 s PRO 100 Cb -0.12 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3hr5 s PRO 100 CO 0.00 -1.13 1.04 -1.58 0.04 0.00 0.00 177.00 175.36 3hr5 s TRP 101 N -1.83 3.71 0.04 0.56 0.52 -1.20 -4.77 118.94 115.96 3hr5 s TRP 101 Ca 0.74 1.70 0.03 0.00 0.02 0.00 0.00 56.10 58.59 3hr5 s TRP 101 Cb -0.26 -3.17 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 3hr5 s TRP 101 CO 0.33 -0.22 -0.10 0.95 0.02 0.00 0.00 176.95 177.94 3hr5 s THR 102 N -0.21 0.74 0.20 2.01 -4.23 -1.14 -4.99 115.64 108.01 3hr5 s THR 102 Ca 0.48 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 3hr5 s THR 102 Cb -0.27 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 3hr5 s THR 102 CO 0.33 -0.19 0.11 -0.36 -0.54 0.00 0.00 174.62 173.96 3hr5 s PHE 103 N -1.05 3.02 1.12 3.99 0.08 -1.26 -1.36 117.98 122.52 3hr5 s PHE 103 Ca -0.04 -0.10 -0.18 0.00 0.12 0.00 0.00 56.93 56.73 3hr5 s PHE 103 Cb -0.08 -1.41 0.25 0.00 -0.57 0.00 0.00 43.02 41.21 3hr5 s PHE 103 CO 0.01 0.53 1.16 0.20 -0.10 0.00 0.00 175.22 177.02 3hr5 s GLY 104 N -3.36 1.63 0.47 4.36 0.00 -0.52 -4.46 107.32 105.44 3hr5 s GLY 104 Ca 0.31 -0.98 0.26 0.00 0.00 0.00 0.00 44.72 44.31 3hr5 s GLY 104 CO 0.22 -0.14 1.86 1.46 0.00 0.00 0.00 173.10 176.50 3hr5 h GLN 105 N -2.27 0.00 0.00 2.90 7.50 -1.92 -3.46 115.11 117.86 3hr5 h GLN 105 Ca -0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.70 3hr5 h GLN 105 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.81 3hr5 h GLN 105 CO 0.37 0.17 0.00 0.41 -1.50 0.00 0.00 178.83 178.28 3hr5 n GLY 106 N 0.13 2.54 2.89 3.46 0.00 -1.26 -5.04 105.19 107.91 3hr5 n GLY 106 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3hr5 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr5 s THR 107 N -1.81 1.15 -0.16 2.61 2.01 -0.06 -4.54 115.64 114.84 3hr5 s THR 107 Ca 0.00 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 3hr5 s THR 107 Cb 0.00 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3hr5 s THR 107 CO 0.00 0.05 0.91 -0.75 -0.69 0.00 0.00 174.62 174.14 3hr5 s LYS 108 N 1.60 4.33 -0.29 4.92 2.20 0.70 -1.15 119.74 132.05 3hr5 s LYS 108 Ca -0.01 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.66 3hr5 s LYS 108 Cb -0.16 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3hr5 s LYS 108 CO -0.07 -0.36 0.17 0.08 -0.36 0.00 0.00 175.35 174.81 3hr5 s VAL 109 N 2.22 5.00 -0.06 4.02 1.01 0.05 -0.65 120.40 131.99 3hr5 s VAL 109 Ca 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 3hr5 s VAL 109 Cb -0.17 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3hr5 s VAL 109 CO 0.13 0.20 0.06 -0.70 0.00 0.00 0.00 175.10 174.79 3hr5 s GLU 110 N 1.70 3.09 -0.23 2.72 2.12 0.14 -3.23 118.70 125.01 3hr5 s GLU 110 Ca 0.06 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.82 3hr5 s GLU 110 Cb -0.16 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 3hr5 s GLU 110 CO 0.09 0.69 0.51 0.96 -0.54 0.00 0.00 175.26 176.97 3hr5 s ILE 111 N -1.04 5.09 0.14 -3.70 -4.36 -1.26 -1.36 121.20 114.71 3hr5 s ILE 111 Ca 0.17 0.90 -0.30 0.00 -0.26 0.00 0.00 60.65 61.17 3hr5 s ILE 111 Cb -0.12 -3.83 -0.06 0.00 1.25 0.00 0.00 42.46 39.70 3hr5 s ILE 111 CO 0.07 0.13 0.98 -0.75 0.24 0.00 0.00 174.94 175.61 3hr5 s LYS 112 N 2.01 4.70 0.05 0.37 2.20 0.18 -4.86 119.74 124.40 3hr5 s LYS 112 Ca 0.22 1.50 -0.01 0.00 -0.36 0.00 0.00 55.97 57.32 3hr5 s LYS 112 Cb -0.15 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3hr5 s LYS 112 CO 0.09 0.23 -0.02 0.50 -0.36 0.00 0.00 175.35 175.80 3hr5 s ARG 113 N -0.22 0.62 0.40 4.03 3.52 -1.26 -4.12 118.95 121.92 3hr5 s ARG 113 Ca 0.47 -1.21 -0.26 0.00 -0.13 0.00 0.00 55.73 54.60 3hr5 s ARG 113 Cb -0.25 0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.28 3hr5 s ARG 113 CO 0.31 -0.12 1.24 0.95 -0.81 0.00 0.00 175.30 176.87 3hr5 s THR 114 N -3.91 2.85 0.13 4.11 -4.23 -1.26 -4.96 115.64 108.36 3hr5 s THR 114 Ca 0.07 0.74 -0.34 0.00 -1.18 0.00 0.00 61.69 60.97 3hr5 s THR 114 Cb 0.08 -3.42 -0.16 0.00 1.34 0.00 0.00 72.50 70.33 3hr5 s THR 114 CO -0.10 0.09 1.19 0.52 -0.54 0.00 0.00 174.62 175.78 3hr5 n VAL 115 N 0.09 0.58 -3.79 2.29 0.31 -1.26 -4.81 118.33 111.74 3hr5 n VAL 115 Ca 0.04 -0.14 -0.20 0.00 -0.01 0.00 0.00 64.34 64.03 3hr5 n VAL 115 Cb 0.45 -0.73 -0.17 0.00 -0.91 0.00 0.00 33.84 32.47 3hr5 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hr5 s ALA 116 N 0.01 0.39 0.46 3.52 0.00 -0.11 -4.94 121.76 121.09 3hr5 s ALA 116 Ca 0.78 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 3hr5 s ALA 116 Cb -0.92 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 21.58 3hr5 s ALA 116 CO 0.51 -0.33 1.25 0.00 0.00 0.00 0.00 175.76 177.19 3hr5 s ALA 117 N 1.70 3.04 0.54 0.00 0.00 -1.26 -1.41 121.76 124.36 3hr5 s ALA 117 Ca -0.00 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 3hr5 s ALA 117 Cb -0.13 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 3hr5 s ALA 117 CO -0.03 -0.86 1.07 -1.25 0.00 0.00 0.00 175.76 174.69 3hr5 s PRO 118 N -2.58 3.50 -0.16 0.00 0.04 -1.26 -4.58 135.00 129.96 3hr5 s PRO 118 Ca 0.63 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 3hr5 s PRO 118 Cb -0.34 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 3hr5 s PRO 118 CO 0.42 -0.69 0.61 -1.12 0.04 0.00 0.00 177.00 176.26 3hr5 s SER 119 N -2.18 6.73 -0.21 6.66 0.01 -0.59 -4.84 113.70 119.27 3hr5 s SER 119 Ca 0.68 0.88 -0.06 0.00 1.31 0.00 0.00 55.95 58.76 3hr5 s SER 119 Cb -0.18 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 3hr5 s SER 119 CO 0.28 -0.20 0.02 -0.69 0.41 0.00 0.00 173.24 173.05 3hr5 s VAL 120 N 1.52 4.01 0.05 3.43 1.01 -1.26 0.10 120.40 129.27 3hr5 s VAL 120 Ca 0.29 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3hr5 s VAL 120 Cb -0.16 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3hr5 s VAL 120 CO 0.11 0.41 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 3hr5 s PHE 121 N 1.18 2.10 -0.04 5.22 0.08 0.07 -4.96 117.98 121.63 3hr5 s PHE 121 Ca 0.03 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.75 3hr5 s PHE 121 Cb -0.14 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3hr5 s PHE 121 CO 0.02 0.13 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.52 3hr5 s ILE 122 N -0.83 1.98 -0.18 0.64 2.07 -1.26 -0.32 121.20 123.30 3hr5 s ILE 122 Ca 0.10 -1.04 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 3hr5 s ILE 122 Cb -0.10 -1.66 0.03 0.00 0.13 0.00 0.00 42.46 40.86 3hr5 s ILE 122 CO 0.02 0.55 -0.15 -0.36 -1.91 0.00 0.00 174.94 173.10 3hr5 s PHE 123 N -0.31 2.54 0.79 3.50 0.08 0.69 -5.00 117.98 120.27 3hr5 s PHE 123 Ca 0.01 -1.56 -0.11 0.00 0.12 0.00 0.00 56.93 55.39 3hr5 s PHE 123 Cb -0.12 -1.75 0.07 0.00 -0.57 0.00 0.00 43.02 40.65 3hr5 s PHE 123 CO 0.02 -0.76 1.11 -1.25 -0.10 0.00 0.00 175.22 174.25 3hr5 s PRO 124 N 1.36 2.05 0.29 0.24 0.04 -1.26 -1.45 135.00 136.27 3hr5 s PRO 124 Ca 0.02 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 3hr5 s PRO 124 Cb -0.14 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3hr5 s PRO 124 CO -0.10 -1.82 1.36 -1.25 0.04 0.00 0.00 177.00 175.23 3hr5 s PRO 125 N -4.69 4.31 0.81 0.56 0.04 -1.21 -4.86 135.00 129.96 3hr5 s PRO 125 Ca 0.64 2.25 -0.14 0.00 0.04 0.00 0.00 61.00 63.79 3hr5 s PRO 125 Cb -0.19 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.32 3hr5 s PRO 125 CO 0.54 -0.29 1.02 -1.13 0.04 0.00 0.00 177.00 177.18 3hr5 n SER 126 N 1.46 0.39 -0.12 6.66 3.41 -1.26 -4.90 113.62 119.26 3hr5 n SER 126 Ca 0.03 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3hr5 n SER 126 Cb 0.41 -1.44 0.28 0.00 -0.26 0.00 0.00 64.21 63.20 3hr5 n SER 126 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hr5 h ASP 127 N -0.89 0.71 -0.73 4.04 3.32 -1.99 -2.72 116.42 118.16 3hr5 h ASP 127 Ca -0.46 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 3hr5 h ASP 127 Cb 1.31 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3hr5 h ASP 127 CO 0.44 0.59 0.27 1.05 -1.72 0.00 0.00 179.24 179.87 3hr5 h GLU 128 N 0.80 1.11 -0.30 3.56 9.09 -1.99 -1.54 114.58 125.31 3hr5 h GLU 128 Ca 0.20 -0.21 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 3hr5 h GLU 128 Cb 0.05 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 26.97 3hr5 h GLU 128 CO -0.03 0.92 0.05 0.37 0.05 0.00 0.00 179.01 180.37 3hr5 h GLN 129 N 1.06 0.50 -0.80 1.06 4.15 -1.84 -3.00 115.11 116.24 3hr5 h GLN 129 Ca 0.24 -0.14 0.19 0.00 0.77 0.00 0.00 58.65 59.71 3hr5 h GLN 129 Cb 0.25 -0.06 -0.12 0.00 0.21 0.00 0.00 27.48 27.76 3hr5 h GLN 129 CO -0.02 0.61 0.19 -0.07 -1.93 0.00 0.00 178.83 177.61 3hr5 h LEU 130 N 0.32 -0.02 -1.73 -2.39 4.07 -1.15 -0.18 115.31 114.24 3hr5 h LEU 130 Ca 0.09 0.17 0.05 0.00 0.08 0.00 0.00 57.88 58.27 3hr5 h LEU 130 Cb 0.35 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3hr5 h LEU 130 CO 0.01 -0.09 0.28 0.11 -1.08 0.00 0.00 178.44 177.66 3hr5 h LYS 131 N 0.24 0.34 0.00 1.13 1.57 -1.15 0.05 116.57 118.75 3hr5 h LYS 131 Ca 0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3hr5 h LYS 131 Cb 0.86 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3hr5 h LYS 131 CO -0.58 0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.39 3hr5 n SER 132 N -4.48 0.00 0.00 0.86 3.41 -0.09 -4.90 113.62 108.42 3hr5 n SER 132 Ca 0.05 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 3hr5 n SER 132 Cb 0.23 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3hr5 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hr5 n GLY 133 N 0.87 0.60 3.59 5.00 0.00 0.00 -5.06 105.19 110.20 3hr5 n GLY 133 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3hr5 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr5 s THR 134 N -2.32 3.10 -0.10 2.61 2.01 -1.21 -1.58 115.64 118.15 3hr5 s THR 134 Ca 0.00 -2.06 -0.01 0.00 0.31 0.00 0.00 61.69 59.93 3hr5 s THR 134 Cb 0.00 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3hr5 s THR 134 CO 0.00 -0.37 -0.02 0.00 -0.69 0.00 0.00 174.62 173.54 3hr5 s ALA 135 N -2.40 1.00 -0.23 7.40 0.00 0.13 -2.85 121.76 124.82 3hr5 s ALA 135 Ca 0.31 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 3hr5 s ALA 135 Cb -0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3hr5 s ALA 135 CO 0.18 -0.54 0.00 -1.12 0.00 0.00 0.00 175.76 174.28 3hr5 s SER 136 N 1.85 4.65 -0.24 0.00 0.01 -1.26 -0.31 113.70 118.39 3hr5 s SER 136 Ca 0.04 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 3hr5 s SER 136 Cb -0.13 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 3hr5 s SER 136 CO -0.07 -0.02 0.10 -0.69 0.41 0.00 0.00 173.24 172.98 3hr5 s VAL 137 N 1.48 4.68 -0.10 3.43 1.01 0.94 -3.36 120.40 128.47 3hr5 s VAL 137 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 3hr5 s VAL 137 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3hr5 s VAL 137 CO -0.00 0.34 -0.02 -0.69 0.00 0.00 0.00 175.10 174.73 3hr5 s VAL 138 N 1.37 4.07 -0.15 2.92 1.01 -0.53 -0.26 120.40 128.83 3hr5 s VAL 138 Ca 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3hr5 s VAL 138 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3hr5 s VAL 138 CO 0.05 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.53 3hr5 s LEU 140 N 1.14 3.17 -0.31 0.00 0.20 0.57 0.08 118.68 123.53 3hr5 s LEU 140 Ca -0.01 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.47 3hr5 s LEU 140 Cb -0.14 -1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3hr5 s LEU 140 CO -0.07 0.04 0.14 -0.76 -0.29 0.00 0.00 176.35 175.41 3hr5 s LEU 141 N 1.17 4.06 -0.12 -0.68 1.02 0.14 -0.75 118.68 123.51 3hr5 s LEU 141 Ca 0.03 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 3hr5 s LEU 141 Cb -0.14 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3hr5 s LEU 141 CO 0.01 -0.19 -0.05 0.21 0.02 0.00 0.00 176.35 176.35 3hr5 s ASN 142 N 1.60 4.74 -1.00 2.29 2.47 0.11 -0.51 114.94 124.65 3hr5 s ASN 142 Ca 0.04 -0.08 -0.12 0.00 0.42 0.00 0.00 52.86 53.12 3hr5 s ASN 142 Cb -0.17 -1.56 -0.01 0.00 -1.45 0.00 0.00 41.25 38.06 3hr5 s ASN 142 CO 0.06 0.25 0.76 0.59 -3.72 0.00 0.00 177.10 175.04 3hr5 n ASN 143 N 3.00 -5.87 -4.64 -4.21 3.02 -0.97 -1.55 115.26 104.04 3hr5 n ASN 143 Ca -0.18 -0.80 -0.26 0.00 -0.03 0.00 0.00 54.58 53.31 3hr5 n ASN 143 Cb 0.53 -3.65 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 3hr5 n ASN 143 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hr5 s PHE 144 N -3.29 2.53 -0.28 3.10 -0.71 0.13 -4.62 117.98 114.85 3hr5 s PHE 144 Ca 0.31 -0.58 -0.21 0.00 -1.04 0.00 0.00 56.93 55.41 3hr5 s PHE 144 Cb -0.10 -1.71 0.08 0.00 -1.21 0.00 0.00 43.02 40.09 3hr5 s PHE 144 CO 0.83 0.41 0.77 -0.47 -1.34 0.00 0.00 175.22 175.42 3hr5 s TYR 145 N -2.63 -0.83 1.02 3.49 6.14 -0.50 0.20 117.35 124.23 3hr5 s TYR 145 Ca 0.36 1.85 -0.14 0.00 0.64 0.00 0.00 57.07 59.78 3hr5 s TYR 145 Cb 0.05 0.41 0.20 0.00 0.42 0.00 0.00 41.96 43.04 3hr5 s TYR 145 CO 0.19 -0.40 1.13 -1.25 0.64 0.00 0.00 175.55 175.86 3hr5 s PRO 146 N 0.84 0.25 0.54 4.97 0.04 -1.26 -0.93 135.00 139.45 3hr5 s PRO 146 Ca -0.03 0.20 0.24 0.00 0.04 0.00 0.00 61.00 61.44 3hr5 s PRO 146 Cb -0.05 -1.74 1.41 0.00 0.04 0.00 0.00 34.50 34.15 3hr5 s PRO 146 CO -0.08 -2.78 2.04 -0.09 0.04 0.00 0.00 177.00 176.13 3hr5 h ARG 147 N -1.92 0.00 -6.57 4.56 2.43 -1.98 -3.43 114.38 107.47 3hr5 h ARG 147 Ca -0.50 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.14 3hr5 h ARG 147 Cb 1.31 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.87 3hr5 h ARG 147 CO 0.52 0.00 0.54 -1.21 -1.51 0.00 0.00 179.97 178.31 3hr5 s GLU 148 N -4.96 4.48 -0.02 0.20 8.01 -1.26 -5.01 118.70 120.14 3hr5 s GLU 148 Ca -0.05 1.79 -0.28 0.00 0.01 0.00 0.00 54.97 56.44 3hr5 s GLU 148 Cb 0.18 -3.30 0.06 0.00 -4.31 0.00 0.00 34.13 26.77 3hr5 s GLU 148 CO 0.69 -0.14 0.62 0.00 0.01 0.00 0.00 175.26 176.45 3hr5 s ALA 149 N 0.45 -1.62 -0.10 5.21 0.00 -1.26 -4.70 121.76 119.73 3hr5 s ALA 149 Ca 0.55 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 3hr5 s ALA 149 Cb -0.30 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3hr5 s ALA 149 CO 0.33 -0.41 -0.05 0.21 0.00 0.00 0.00 175.76 175.84 3hr5 s LYS 150 N -1.59 3.10 -0.12 0.00 2.20 -0.55 -4.97 119.74 117.81 3hr5 s LYS 150 Ca -0.09 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 3hr5 s LYS 150 Cb -0.01 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3hr5 s LYS 150 CO 0.06 0.53 -0.21 0.08 -0.36 0.00 0.00 175.35 175.45 3hr5 s VAL 151 N -0.44 1.95 -0.11 4.02 1.01 -1.26 -0.73 120.40 124.83 3hr5 s VAL 151 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3hr5 s VAL 151 Cb -0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3hr5 s VAL 151 CO 0.02 0.53 -0.18 -1.58 0.00 0.00 0.00 175.10 173.89 3hr5 s GLN 152 N 0.73 3.18 -0.11 2.72 0.74 0.11 -4.97 119.66 122.05 3hr5 s GLN 152 Ca -0.10 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.50 3hr5 s GLN 152 Cb -0.16 -2.46 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 3hr5 s GLN 152 CO 0.01 0.22 0.02 -1.58 -0.55 0.00 0.00 175.29 173.41 3hr5 s TRP 153 N 0.29 3.21 -0.00 1.67 0.52 -1.26 -0.74 118.94 122.62 3hr5 s TRP 153 Ca -0.13 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.15 3hr5 s TRP 153 Cb -0.17 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3hr5 s TRP 153 CO 0.07 0.38 -0.04 0.15 0.02 0.00 0.00 176.95 177.54 3hr5 s LYS 154 N -0.53 0.29 -0.23 4.98 1.02 -0.78 -1.47 119.74 123.02 3hr5 s LYS 154 Ca 0.10 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 55.95 3hr5 s LYS 154 Cb -0.12 -0.28 0.06 0.00 -0.52 0.00 0.00 37.83 36.97 3hr5 s LYS 154 CO 0.02 0.08 -0.03 0.08 -0.92 0.00 0.00 175.35 174.58 3hr5 s VAL 155 N -0.10 1.30 -1.38 3.17 1.01 -0.71 -1.65 120.40 122.04 3hr5 s VAL 155 Ca 0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 3hr5 s VAL 155 Cb -0.01 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3hr5 s VAL 155 CO -0.00 -0.13 0.46 0.47 0.00 0.00 0.00 175.10 175.90 3hr5 n ASP 156 N 4.76 -0.63 -0.51 3.32 8.00 -0.71 -1.08 116.55 129.69 3hr5 n ASP 156 Ca -0.11 -0.99 -0.07 0.00 0.71 0.00 0.00 54.79 54.33 3hr5 n ASP 156 Cb 0.45 -3.17 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 3hr5 n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hr5 n ASN 157 N -2.98 -5.80 -4.60 -2.24 3.02 -1.26 -4.97 115.26 96.44 3hr5 n ASN 157 Ca -0.30 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 3hr5 n ASN 157 Cb 0.68 -3.88 -0.08 0.00 -0.61 0.00 0.00 39.78 35.89 3hr5 n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hr5 s ALA 158 N -1.58 3.55 0.19 5.41 0.00 -0.24 -5.05 121.76 124.05 3hr5 s ALA 158 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 3hr5 s ALA 158 Cb 0.00 -2.95 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 3hr5 s ALA 158 CO 0.00 -0.92 1.61 -1.17 0.00 0.00 0.00 175.76 175.28 3hr5 s LEU 159 N 2.38 4.37 -0.18 0.00 1.98 -1.26 -1.74 118.68 124.23 3hr5 s LEU 159 Ca 0.21 2.73 -0.08 0.00 -2.89 0.00 0.00 54.13 54.09 3hr5 s LEU 159 Cb -0.15 -3.60 -0.05 0.00 0.66 0.00 0.00 46.19 43.05 3hr5 s LEU 159 CO 0.11 -0.87 0.11 -1.10 -1.89 0.00 0.00 176.35 172.71 3hr5 s GLN 160 N 0.91 3.94 -0.08 1.98 -1.52 -0.55 -4.96 119.66 119.40 3hr5 s GLN 160 Ca 0.70 -0.24 -0.02 0.00 -1.95 0.00 0.00 55.36 53.85 3hr5 s GLN 160 Cb -0.46 -3.30 0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3hr5 s GLN 160 CO 0.34 0.40 0.04 0.45 -0.25 0.00 0.00 175.29 176.27 3hr5 s SER 161 N 0.05 1.59 0.00 5.90 0.15 -1.26 -4.56 113.70 115.56 3hr5 s SER 161 Ca 0.08 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3hr5 s SER 161 Cb -0.12 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3hr5 s SER 161 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3hr5 n GLY 162 N 5.22 1.68 2.02 9.45 0.00 -1.26 -4.86 105.19 117.44 3hr5 n GLY 162 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3hr5 n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hr5 n ASN 163 N 0.00 3.59 -3.79 1.61 6.94 -1.26 -4.91 115.26 117.43 3hr5 n ASN 163 Ca 0.00 -3.65 -0.13 0.00 -0.02 0.00 0.00 54.58 50.78 3hr5 n ASN 163 Cb 0.00 -0.80 -0.11 0.00 -2.36 0.00 0.00 39.78 36.51 3hr5 n ASN 163 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hr5 s SER 164 N -1.57 -0.25 0.16 0.53 1.04 -1.26 -2.14 113.70 110.21 3hr5 s SER 164 Ca 0.55 0.46 0.10 0.00 0.48 0.00 0.00 55.95 57.54 3hr5 s SER 164 Cb 0.47 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 3hr5 s SER 164 CO 0.08 -0.12 -0.22 -1.10 0.98 0.00 0.00 173.24 172.86 3hr5 s GLN 165 N -0.01 1.38 0.03 4.02 -0.21 -0.78 -4.91 119.66 119.18 3hr5 s GLN 165 Ca -0.01 -1.42 0.07 0.00 0.02 0.00 0.00 55.36 54.02 3hr5 s GLN 165 Cb -0.02 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 3hr5 s GLN 165 CO 0.01 0.36 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.12 3hr5 s GLU 166 N -2.53 1.40 -0.02 2.91 2.02 -1.26 -0.05 118.70 121.18 3hr5 s GLU 166 Ca 0.16 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3hr5 s GLU 166 Cb -0.08 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.69 3hr5 s GLU 166 CO 0.08 0.38 -0.03 0.45 0.02 0.00 0.00 175.26 176.16 3hr5 s SER 167 N -1.02 0.54 -0.05 -0.19 0.15 -0.94 -5.02 113.70 107.17 3hr5 s SER 167 Ca 0.07 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.68 3hr5 s SER 167 Cb -0.08 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3hr5 s SER 167 CO 0.01 -0.02 -0.13 -0.69 1.20 0.00 0.00 173.24 173.62 3hr5 s VAL 168 N 0.46 3.20 0.69 4.45 1.01 -1.26 -1.86 120.40 127.09 3hr5 s VAL 168 Ca -0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 3hr5 s VAL 168 Cb -0.08 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3hr5 s VAL 168 CO -0.01 0.59 1.07 0.42 0.00 0.00 0.00 175.10 177.18 3hr5 s THR 169 N -0.75 3.68 0.53 3.92 -4.23 -0.07 -5.00 115.64 113.72 3hr5 s THR 169 Ca 0.12 0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 3hr5 s THR 169 Cb -0.11 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 3hr5 s THR 169 CO 0.01 -0.62 1.10 -1.61 -0.54 0.00 0.00 174.62 172.95 3hr5 s GLU 170 N -4.63 3.46 0.17 3.99 0.41 -1.26 -4.60 118.70 116.24 3hr5 s GLU 170 Ca 0.61 1.52 -0.33 0.00 -0.41 0.00 0.00 54.97 56.36 3hr5 s GLU 170 Cb -0.16 -2.03 -0.15 0.00 -1.78 0.00 0.00 34.13 30.01 3hr5 s GLU 170 CO 0.49 -0.74 1.29 0.94 -0.49 0.00 0.00 175.26 176.74 3hr5 n GLN 171 N -1.27 1.45 -2.01 1.61 7.27 -1.26 -4.85 117.38 118.32 3hr5 n GLN 171 Ca 0.11 0.52 -0.42 0.00 0.07 0.00 0.00 57.00 57.28 3hr5 n GLN 171 Cb 0.51 -2.10 -0.03 0.00 2.41 0.00 0.00 30.24 31.04 3hr5 n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hr5 s ASP 172 N 0.23 6.66 0.00 1.69 -1.08 -0.14 -4.91 116.67 119.12 3hr5 s ASP 172 Ca 0.74 2.61 0.20 0.00 -0.52 0.00 0.00 52.55 55.59 3hr5 s ASP 172 Cb -0.81 -2.61 1.01 0.00 -1.46 0.00 0.00 42.92 39.06 3hr5 s ASP 172 CO 0.49 -0.73 1.64 -1.54 0.52 0.00 0.00 175.17 175.56 3hr5 n SER 173 N 3.00 0.00 -0.00 -0.34 3.41 -1.26 -1.60 113.62 116.82 3hr5 n SER 173 Ca 0.09 0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.72 3hr5 n SER 173 Cb 0.40 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3hr5 n SER 173 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hr5 n LYS 174 N -1.31 0.19 -0.02 4.33 4.81 -1.26 -2.47 118.16 122.43 3hr5 n LYS 174 Ca 0.09 0.07 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 3hr5 n LYS 174 Cb 0.17 -0.82 0.11 0.00 0.02 0.00 0.00 35.03 34.51 3hr5 n LYS 174 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hr5 n ASP 175 N -3.78 3.03 -0.53 3.14 5.68 -1.26 -4.87 116.55 117.96 3hr5 n ASP 175 Ca -0.07 -1.99 -0.07 0.00 -0.50 0.00 0.00 54.79 52.16 3hr5 n ASP 175 Cb 0.23 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 3hr5 n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hr5 n SER 176 N 1.35 -4.30 -4.95 -1.12 7.64 -0.63 -4.99 113.62 106.64 3hr5 n SER 176 Ca 0.14 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 60.00 3hr5 n SER 176 Cb 0.60 -2.41 0.04 0.00 -1.01 0.00 0.00 64.21 61.43 3hr5 n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hr5 s THR 177 N -2.10 2.61 0.28 0.44 -4.23 -1.26 -4.55 115.64 106.82 3hr5 s THR 177 Ca 0.00 -0.80 0.11 0.00 -1.18 0.00 0.00 61.69 59.82 3hr5 s THR 177 Cb 0.00 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 3hr5 s THR 177 CO 0.00 0.00 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.61 3hr5 s TYR 178 N -2.68 2.38 0.10 3.99 1.51 0.13 -0.97 117.35 121.80 3hr5 s TYR 178 Ca 0.59 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 3hr5 s TYR 178 Cb -0.09 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3hr5 s TYR 178 CO 0.38 0.70 -0.12 -1.12 -1.11 0.00 0.00 175.55 174.28 3hr5 s SER 179 N -3.54 1.60 -0.09 2.29 0.01 -1.26 0.22 113.70 112.94 3hr5 s SER 179 Ca 0.30 -0.77 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 3hr5 s SER 179 Cb -0.05 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.19 3hr5 s SER 179 CO 0.16 -0.20 0.22 -0.22 0.41 0.00 0.00 173.24 173.61 3hr5 s LEU 180 N -2.29 0.86 -0.14 2.44 2.96 0.34 -0.89 118.68 121.94 3hr5 s LEU 180 Ca 0.04 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3hr5 s LEU 180 Cb -0.05 0.68 -0.00 0.00 0.50 0.00 0.00 46.19 47.32 3hr5 s LEU 180 CO 0.01 -0.12 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.83 3hr5 s SER 181 N 0.65 3.66 -0.18 3.68 1.04 -0.78 0.26 113.70 122.03 3hr5 s SER 181 Ca -0.04 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 3hr5 s SER 181 Cb -0.06 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 3hr5 s SER 181 CO -0.04 0.11 -0.03 -0.55 0.98 0.00 0.00 173.24 173.71 3hr5 s SER 182 N 0.68 4.61 -0.35 7.02 0.15 0.11 -2.22 113.70 123.71 3hr5 s SER 182 Ca -0.08 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 3hr5 s SER 182 Cb -0.16 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.44 3hr5 s SER 182 CO 0.02 0.09 0.11 -0.89 1.20 0.00 0.00 173.24 173.77 3hr5 s THR 183 N 0.86 3.57 -0.28 6.45 2.01 0.93 -0.28 115.64 128.90 3hr5 s THR 183 Ca -0.01 -1.37 -0.27 0.00 0.31 0.00 0.00 61.69 60.36 3hr5 s THR 183 Cb -0.15 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.26 3hr5 s THR 183 CO 0.02 -0.28 0.94 -0.22 -0.69 0.00 0.00 174.62 174.38 3hr5 s LEU 184 N 1.33 4.05 -0.25 4.42 2.96 0.64 -1.87 118.68 129.97 3hr5 s LEU 184 Ca -0.00 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 3hr5 s LEU 184 Cb -0.21 -3.34 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 3hr5 s LEU 184 CO 0.01 -0.68 0.01 -0.89 -1.32 0.00 0.00 176.35 173.47 3hr5 s THR 185 N 3.18 3.63 0.13 3.68 2.01 -0.91 -0.04 115.64 127.32 3hr5 s THR 185 Ca 0.39 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.90 3hr5 s THR 185 Cb -0.14 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3hr5 s THR 185 CO 0.11 0.30 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.46 3hr5 s LEU 186 N 1.49 2.47 0.52 4.42 1.02 0.58 -4.91 118.68 124.26 3hr5 s LEU 186 Ca 0.04 -0.91 -0.21 0.00 0.02 0.00 0.00 54.13 53.08 3hr5 s LEU 186 Cb -0.15 -0.44 -0.08 0.00 0.02 0.00 0.00 46.19 45.54 3hr5 s LEU 186 CO -0.01 -0.24 0.86 -0.24 0.02 0.00 0.00 176.35 176.74 3hr5 n SER 187 N 0.18 0.43 0.19 2.29 2.88 -1.26 0.18 113.62 118.52 3hr5 n SER 187 Ca -0.13 0.87 0.06 0.00 -1.33 0.00 0.00 58.87 58.35 3hr5 n SER 187 Cb 0.59 -1.31 0.35 0.00 -0.75 0.00 0.00 64.21 63.09 3hr5 n SER 187 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3hr5 h LYS 188 N 0.81 0.00 -0.28 -1.46 2.10 -1.54 -0.57 116.57 115.64 3hr5 h LYS 188 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 3hr5 h LYS 188 Cb 1.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 3hr5 h LYS 188 CO 0.52 0.35 0.14 0.00 -2.00 0.00 0.00 179.45 178.46 3hr5 h ALA 189 N 1.65 0.36 -0.24 0.07 0.00 -1.92 -1.57 119.26 117.60 3hr5 h ALA 189 Ca -0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3hr5 h ALA 189 Cb 0.88 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hr5 h ALA 189 CO 0.05 -0.09 -0.41 -0.44 0.00 0.00 0.00 179.25 178.36 3hr5 h ASP 190 N 0.32 0.78 -0.57 0.00 3.45 -1.89 -3.09 116.42 115.42 3hr5 h ASP 190 Ca 0.10 -0.53 0.08 0.00 0.43 0.00 0.00 57.03 57.11 3hr5 h ASP 190 Cb 0.11 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 38.59 3hr5 h ASP 190 CO -0.01 1.16 0.23 0.22 -1.57 0.00 0.00 179.24 179.27 3hr5 h TYR 191 N 0.43 0.41 0.00 4.55 3.20 -0.99 -2.28 116.97 122.28 3hr5 h TYR 191 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hr5 h TYR 191 Cb 1.00 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3hr5 h TYR 191 CO 0.08 0.14 0.00 0.39 -1.64 0.00 0.00 178.16 177.13 3hr5 n GLU 192 N -4.96 0.04 -0.23 1.82 1.02 -0.60 -2.72 120.64 115.01 3hr5 n GLU 192 Ca 0.07 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.44 3hr5 n GLU 192 Cb 0.22 -1.56 0.23 0.00 -0.02 0.00 0.00 31.44 30.32 3hr5 n GLU 192 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hr5 n LYS 193 N -1.64 2.14 -4.06 3.49 2.85 -0.86 -4.93 118.16 115.14 3hr5 n LYS 193 Ca 0.05 -1.76 -0.10 0.00 -1.05 0.00 0.00 58.31 55.45 3hr5 n LYS 193 Cb 0.28 -1.40 -0.11 0.00 -0.65 0.00 0.00 35.03 33.16 3hr5 n LYS 193 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3hr5 s HIS 194 N -1.38 0.55 -0.13 5.58 3.76 -1.10 -5.10 115.29 117.45 3hr5 s HIS 194 Ca 0.34 -0.69 -0.15 0.00 -0.15 0.00 0.00 55.06 54.41 3hr5 s HIS 194 Cb 0.18 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 3hr5 s HIS 194 CO 0.24 -0.19 -0.29 1.17 -0.85 0.00 0.00 174.74 174.82 3hr5 n LYS 195 N 0.99 0.44 -3.46 1.40 4.81 -1.26 -4.61 118.16 116.47 3hr5 n LYS 195 Ca -0.20 0.18 -0.39 0.00 -0.87 0.00 0.00 58.31 57.03 3hr5 n LYS 195 Cb 0.57 -1.28 -0.10 0.00 0.02 0.00 0.00 35.03 34.25 3hr5 n LYS 195 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hr5 s VAL 196 N -2.76 5.22 -0.33 3.15 1.01 -1.26 0.31 120.40 125.75 3hr5 s VAL 196 Ca -0.24 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3hr5 s VAL 196 Cb 0.03 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.83 3hr5 s VAL 196 CO 0.36 0.19 0.06 -0.31 0.00 0.00 0.00 175.10 175.40 3hr5 s TYR 197 N 1.94 3.32 -0.04 5.22 1.51 -0.35 -1.74 117.35 127.21 3hr5 s TYR 197 Ca 0.12 -1.85 0.06 0.00 -1.01 0.00 0.00 57.07 54.40 3hr5 s TYR 197 Cb -0.16 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.32 3hr5 s TYR 197 CO 0.10 -0.81 -0.24 0.00 -1.11 0.00 0.00 175.55 173.49 3hr5 s ALA 198 N 1.27 2.23 -0.27 3.71 0.00 -0.66 -1.13 121.76 126.92 3hr5 s ALA 198 Ca -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 3hr5 s ALA 198 Cb -0.20 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.27 3hr5 s ALA 198 CO -0.01 0.47 -0.02 0.00 0.00 0.00 0.00 175.76 176.20 3hr5 s GLU 200 N 1.32 3.80 -0.12 0.00 2.12 0.08 -0.06 118.70 125.84 3hr5 s GLU 200 Ca -0.02 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 3hr5 s GLU 200 Cb -0.18 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3hr5 s GLU 200 CO -0.03 0.07 -0.11 0.08 -0.54 0.00 0.00 175.26 174.74 3hr5 s VAL 201 N 0.90 3.29 -0.10 3.70 1.01 0.67 0.08 120.40 129.95 3hr5 s VAL 201 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3hr5 s VAL 201 Cb -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3hr5 s VAL 201 CO 0.02 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.58 3hr5 s THR 202 N 0.06 2.51 0.04 3.92 2.01 0.09 -2.16 115.64 122.11 3hr5 s THR 202 Ca -0.04 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 60.82 3hr5 s THR 202 Cb -0.14 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.44 3hr5 s THR 202 CO 0.04 0.55 0.63 -2.28 -0.69 0.00 0.00 174.62 172.87 3hr5 s HIS 203 N 0.17 -0.58 0.33 4.92 2.46 -1.26 -1.48 115.29 119.85 3hr5 s HIS 203 Ca -0.11 0.75 0.02 0.00 0.47 0.00 0.00 55.06 56.20 3hr5 s HIS 203 Cb -0.16 0.45 0.61 0.00 -0.13 0.00 0.00 32.58 33.35 3hr5 s HIS 203 CO 0.06 -0.69 1.96 0.37 -2.47 0.00 0.00 174.74 173.97 3hr5 h GLN 204 N 2.63 0.88 -0.01 2.88 4.15 -1.92 -2.11 115.11 121.61 3hr5 h GLN 204 Ca -0.30 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3hr5 h GLN 204 Cb 1.21 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3hr5 h GLN 204 CO 0.39 0.58 0.00 0.41 -1.93 0.00 0.00 178.83 178.28 3hr5 n GLY 205 N -1.43 -0.64 3.47 2.39 0.00 -1.26 -4.69 105.19 103.03 3hr5 n GLY 205 Ca 0.10 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3hr5 n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hr5 s LEU 206 N -1.92 4.38 0.20 0.99 1.02 -0.80 -4.43 118.68 118.13 3hr5 s LEU 206 Ca 0.42 -0.54 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 3hr5 s LEU 206 Cb 0.20 -2.07 0.26 0.00 0.02 0.00 0.00 46.19 44.60 3hr5 s LEU 206 CO 0.33 -0.24 1.74 -1.28 0.02 0.00 0.00 176.35 176.93 3hr5 h SER 207 N 8.43 0.20 -4.13 2.29 0.87 -1.83 -3.43 113.55 115.95 3hr5 h SER 207 Ca -0.31 0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.09 3hr5 h SER 207 Cb 1.15 0.06 -0.26 0.00 -0.44 0.00 0.00 62.40 62.91 3hr5 h SER 207 CO 0.63 0.13 -0.72 -0.55 -0.53 0.00 0.00 176.83 175.79 3hr5 s SER 208 N -5.39 0.24 0.20 6.23 0.15 -1.26 -5.13 113.70 108.75 3hr5 s SER 208 Ca -0.13 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 3hr5 s SER 208 Cb 0.17 0.01 -0.16 0.00 -1.71 0.00 0.00 66.02 64.33 3hr5 s SER 208 CO 0.74 -0.07 0.79 -2.65 1.20 0.00 0.00 173.24 173.25 3hr5 n PRO 209 N 2.58 0.53 -4.02 5.44 -0.02 -1.26 -4.97 135.00 133.29 3hr5 n PRO 209 Ca -0.16 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.16 3hr5 n PRO 209 Cb 0.58 -1.40 -0.09 0.00 -0.02 0.00 0.00 33.50 32.57 3hr5 n PRO 209 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hr5 s VAL 210 N -0.82 4.81 -0.22 -1.45 1.01 -0.92 -4.93 120.40 117.88 3hr5 s VAL 210 Ca 0.66 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 3hr5 s VAL 210 Cb -0.89 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3hr5 s VAL 210 CO 0.57 0.48 0.02 -0.89 0.00 0.00 0.00 175.10 175.28 3hr5 s THR 211 N 0.20 4.02 -0.16 3.92 2.01 -1.26 -0.24 115.64 124.14 3hr5 s THR 211 Ca 0.04 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 3hr5 s THR 211 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3hr5 s THR 211 CO 0.00 0.40 0.05 -0.54 -0.69 0.00 0.00 174.62 173.85 3hr5 s LYS 212 N 1.24 3.79 0.08 4.92 -0.14 0.91 -4.94 119.74 125.59 3hr5 s LYS 212 Ca 0.04 -0.35 -0.04 0.00 -1.36 0.00 0.00 55.97 54.26 3hr5 s LYS 212 Cb -0.15 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 3hr5 s LYS 212 CO 0.02 0.37 0.07 -1.54 -0.76 0.00 0.00 175.35 173.50 3hr5 s SER 213 N 0.10 0.32 0.22 2.83 1.04 -1.26 0.86 113.70 117.80 3hr5 s SER 213 Ca 0.05 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.61 3hr5 s SER 213 Cb -0.12 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 3hr5 s SER 213 CO 0.01 -0.67 0.07 0.72 0.98 0.00 0.00 173.24 174.35 3hr5 s PHE 214 N -3.91 1.33 -0.18 5.02 -0.12 -0.28 -4.99 117.98 114.86 3hr5 s PHE 214 Ca 0.08 -1.17 -0.03 0.00 -0.05 0.00 0.00 56.93 55.76 3hr5 s PHE 214 Cb 0.07 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 3hr5 s PHE 214 CO -0.09 -0.37 -0.06 -0.80 -0.05 0.00 0.00 175.22 173.85 3hr5 s ASN 215 N -3.23 4.36 0.85 1.98 0.02 -1.26 -1.21 114.94 116.45 3hr5 s ASN 215 Ca 0.33 -0.30 -0.14 0.00 -1.02 0.00 0.00 52.86 51.73 3hr5 s ASN 215 Cb 0.07 -1.72 0.03 0.00 0.02 0.00 0.00 41.25 39.65 3hr5 s ASN 215 CO 0.10 0.08 0.64 -1.14 0.02 0.00 0.00 177.10 176.80 3hr5 n ARG 216 N 4.12 -0.01 0.00 -0.60 0.63 0.15 -4.98 116.66 115.97 3hr5 n ARG 216 Ca -0.18 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3hr5 n ARG 216 Cb 0.52 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.44 3hr5 n ARG 216 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hr5 n GLY 217 N 1.30 4.22 0.00 5.14 0.00 -1.26 -4.81 105.19 109.77 3hr5 n GLY 217 Ca 0.09 -1.16 0.10 0.00 0.00 0.00 0.00 46.02 45.05 3hr5 n GLY 217 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hr5 n GLU 218 N -0.68 0.73 0.00 1.61 0.28 -1.26 -5.17 120.64 116.14 3hr5 n GLU 218 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3hr5 n GLU 218 Cb 0.00 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.43 3hr5 n GLU 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97