#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 4.61 0.04 5.18 1.01 -1.26 -5.00 121.20 125.79 3hr5 s ILE 2 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3hr5 s ILE 2 Cb 0.00 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3hr5 s ILE 2 CO 0.00 -0.65 1.03 -1.58 0.00 0.00 0.00 174.94 173.74 3hr5 s GLN 3 N 3.40 4.55 -0.17 2.79 2.00 -1.26 -4.81 119.66 126.16 3hr5 s GLN 3 Ca 0.33 1.52 -0.01 0.00 -2.00 0.00 0.00 55.36 55.21 3hr5 s GLN 3 Cb -0.12 -3.41 -0.00 0.00 0.80 0.00 0.00 33.01 30.28 3hr5 s GLN 3 CO 0.22 -0.05 -0.13 -1.64 -0.50 0.00 0.00 175.29 173.19 3hr5 s MET 4 N 0.78 3.24 -0.11 1.67 -1.94 -1.26 -1.52 119.30 120.15 3hr5 s MET 4 Ca 0.53 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 3hr5 s MET 4 Cb -0.24 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.88 3hr5 s MET 4 CO 0.29 -0.06 -0.22 0.95 -0.01 0.00 0.00 175.02 175.97 3hr5 s THR 5 N 1.02 2.19 -0.05 2.05 -4.23 -0.50 -4.15 115.64 111.98 3hr5 s THR 5 Ca -0.01 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3hr5 s THR 5 Cb -0.15 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 3hr5 s THR 5 CO -0.03 0.55 0.12 -1.10 -0.54 0.00 0.00 174.62 173.62 3hr5 s GLN 6 N 0.47 3.26 -0.04 3.99 -0.21 -1.26 -0.69 119.66 125.18 3hr5 s GLN 6 Ca -0.15 -0.33 0.02 0.00 0.02 0.00 0.00 55.36 54.92 3hr5 s GLN 6 Cb -0.17 -3.01 0.01 0.00 1.00 0.00 0.00 33.01 30.84 3hr5 s GLN 6 CO 0.06 0.70 -0.09 -1.12 -2.12 0.00 0.00 175.29 172.72 3hr5 s SER 7 N -1.51 1.30 0.92 5.90 0.01 -0.47 -4.38 113.70 115.47 3hr5 s SER 7 Ca 0.21 -0.20 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 3hr5 s SER 7 Cb -0.12 -0.47 0.18 0.00 0.21 0.00 0.00 66.02 65.82 3hr5 s SER 7 CO 0.11 0.04 1.08 -0.81 0.41 0.00 0.00 173.24 174.07 3hr5 n PRO 8 N 3.56 -0.85 0.10 12.44 -0.04 -1.26 -0.63 135.00 148.31 3hr5 n PRO 8 Ca -0.21 -1.93 -0.16 0.00 -0.04 0.00 0.00 63.50 61.16 3hr5 n PRO 8 Cb 0.53 -1.03 -0.14 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.26 0.44 -5.20 3.54 0.02 -1.83 -3.42 113.55 105.83 3hr5 h SER 9 Ca -0.35 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 60.00 3hr5 h SER 9 Cb 1.04 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 63.29 3hr5 h SER 9 CO 0.27 1.39 -0.48 -0.94 -1.14 0.00 0.00 176.83 175.94 3hr5 s SER 10 N -7.13 0.24 0.08 3.07 1.04 -1.26 -0.80 113.70 108.94 3hr5 s SER 10 Ca -0.05 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 3hr5 s SER 10 Cb 0.07 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.56 3hr5 s SER 10 CO 0.88 -0.70 0.62 -1.48 0.98 0.00 0.00 173.24 173.54 3hr5 s LEU 11 N -2.89 -0.54 -0.04 2.42 0.05 -0.29 -4.90 118.68 112.48 3hr5 s LEU 11 Ca 0.07 0.24 0.04 0.00 0.05 0.00 0.00 54.13 54.54 3hr5 s LEU 11 Cb 0.06 2.53 -0.00 0.00 -2.05 0.00 0.00 46.19 46.72 3hr5 s LEU 11 CO -0.09 -0.83 -0.17 -0.44 -0.55 0.00 0.00 176.35 174.27 3hr5 s SER 12 N -2.18 2.06 0.05 1.48 0.01 -1.26 -0.59 113.70 113.27 3hr5 s SER 12 Ca -0.03 -0.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 3hr5 s SER 12 Cb -0.01 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.72 3hr5 s SER 12 CO -0.05 0.16 0.21 0.00 0.41 0.00 0.00 173.24 173.97 3hr5 s ALA 13 N -0.03 -0.39 0.55 1.44 0.00 -0.93 -4.89 121.76 117.51 3hr5 s ALA 13 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 3hr5 s ALA 13 Cb -0.10 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3hr5 s ALA 13 CO 0.01 -0.39 0.92 -1.12 0.00 0.00 0.00 175.76 175.19 3hr5 s SER 14 N -2.18 6.27 0.27 0.00 0.01 -1.26 0.92 113.70 117.73 3hr5 s SER 14 Ca -0.04 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 3hr5 s SER 14 Cb -0.00 -2.38 -0.12 0.00 0.21 0.00 0.00 66.02 63.72 3hr5 s SER 14 CO -0.05 -0.72 1.49 0.52 0.41 0.00 0.00 173.24 174.89 3hr5 n VAL 15 N -2.45 1.07 0.00 3.43 0.31 -1.26 -1.65 118.33 117.79 3hr5 n VAL 15 Ca 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hr5 n VAL 15 Cb 0.54 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3hr5 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hr5 n GLY 16 N 2.05 1.55 3.77 2.92 0.00 0.50 -4.89 105.19 111.09 3hr5 n GLY 16 Ca 0.10 0.00 -0.37 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 -2.67 6.27 -0.16 1.61 1.11 -0.66 -4.35 116.67 117.82 3hr5 s ASP 17 Ca 0.00 2.26 -0.20 0.00 0.18 0.00 0.00 52.55 54.78 3hr5 s ASP 17 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3hr5 s ASP 17 CO 0.00 -0.85 0.60 -0.60 1.18 0.00 0.00 175.17 175.50 3hr5 s ARG 18 N -2.68 4.28 -0.08 8.23 3.52 -1.25 -0.43 118.95 130.54 3hr5 s ARG 18 Ca 0.63 0.61 0.04 0.00 -0.13 0.00 0.00 55.73 56.87 3hr5 s ARG 18 Cb -0.27 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 3hr5 s ARG 18 CO 0.33 -0.09 -0.19 0.08 -0.81 0.00 0.00 175.30 174.62 3hr5 s VAL 19 N 1.40 1.67 -0.10 7.11 1.01 0.38 -4.99 120.40 126.89 3hr5 s VAL 19 Ca 0.29 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3hr5 s VAL 19 Cb -0.16 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3hr5 s VAL 19 CO 0.12 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.59 3hr5 s THR 20 N 0.35 1.86 -0.10 3.92 2.01 -1.26 -0.14 115.64 122.28 3hr5 s THR 20 Ca -0.14 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.00 3hr5 s THR 20 Cb -0.16 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.72 3hr5 s THR 20 CO 0.06 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.68 3hr5 s ILE 21 N 0.55 1.77 0.02 1.82 1.01 0.13 -4.71 121.20 121.79 3hr5 s ILE 21 Ca -0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 3hr5 s ILE 21 Cb -0.17 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3hr5 s ILE 21 CO 0.05 0.50 0.17 -0.89 0.00 0.00 0.00 174.94 174.77 3hr5 s THR 22 N 0.65 5.30 -0.12 2.92 2.01 0.20 -0.40 115.64 126.20 3hr5 s THR 22 Ca -0.13 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3hr5 s THR 22 Cb -0.16 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 68.89 3hr5 s THR 22 CO 0.03 0.26 0.06 0.00 -0.69 0.00 0.00 174.62 174.29 3hr5 s ARG 24 N 2.10 3.87 0.00 0.00 3.52 0.13 -1.33 118.95 127.24 3hr5 s ARG 24 Ca 0.03 -0.39 -0.12 0.00 -0.13 0.00 0.00 55.73 55.12 3hr5 s ARG 24 Cb -0.14 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 3hr5 s ARG 24 CO -0.06 0.11 0.36 0.45 -0.81 0.00 0.00 175.30 175.34 3hr5 s SER 25 N 0.82 6.68 0.49 -2.12 0.15 0.13 -1.41 113.70 118.45 3hr5 s SER 25 Ca 0.04 0.82 0.31 0.00 0.70 0.00 0.00 55.95 57.82 3hr5 s SER 25 Cb -0.14 -2.19 1.22 0.00 -1.71 0.00 0.00 66.02 63.20 3hr5 s SER 25 CO 0.02 0.29 1.91 0.77 1.20 0.00 0.00 173.24 177.44 3hr5 h SER 26 N 4.44 0.00 -4.60 5.45 4.64 -1.59 -3.45 113.55 118.44 3hr5 h SER 26 Ca -0.51 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.56 3hr5 h SER 26 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 3hr5 h SER 26 CO 0.62 0.00 -0.68 -1.10 -0.87 0.00 0.00 176.83 174.80 3hr5 s GLN 27 N -3.57 0.92 0.50 4.77 -0.21 -1.26 -5.00 119.66 115.81 3hr5 s GLN 27 Ca 0.02 -1.40 -0.23 0.00 0.02 0.00 0.00 55.36 53.77 3hr5 s GLN 27 Cb 0.09 -0.21 -0.06 0.00 1.00 0.00 0.00 33.01 33.82 3hr5 s GLN 27 CO 0.53 -0.06 1.33 0.45 -2.12 0.00 0.00 175.29 175.42 3hr5 s SER 28 N -3.08 5.67 -0.04 5.90 0.15 -1.26 -4.62 113.70 116.41 3hr5 s SER 28 Ca 0.16 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.67 3hr5 s SER 28 Cb 0.06 -2.63 0.54 0.00 -1.71 0.00 0.00 66.02 62.27 3hr5 s SER 28 CO -0.02 -1.29 1.46 0.18 1.20 0.00 0.00 173.24 174.76 3hr5 n LEU 29 N -0.64 3.80 -4.71 3.45 4.77 -0.78 -4.96 117.00 117.95 3hr5 n LEU 29 Ca 0.08 -2.20 -0.42 0.00 -0.03 0.00 0.00 56.01 53.44 3hr5 n LEU 29 Cb 0.45 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hr5 n LEU 29 CO 0.53 0.83 0.82 0.68 -1.33 0.00 0.00 177.39 178.92 3hr5 s VAL 30 N -1.36 4.38 0.93 4.08 -7.23 -1.26 -2.96 120.40 116.97 3hr5 s VAL 30 Ca 0.40 1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 62.13 3hr5 s VAL 30 Cb 0.23 -4.09 0.17 0.00 0.56 0.00 0.00 36.38 33.26 3hr5 s VAL 30 CO 0.23 0.11 1.29 -2.28 -0.31 0.00 0.00 175.10 174.14 3hr5 s HIS 31 N 1.22 1.88 0.19 2.82 2.46 0.85 -4.97 115.29 119.74 3hr5 s HIS 31 Ca 0.56 0.40 -0.11 0.00 0.47 0.00 0.00 55.06 56.38 3hr5 s HIS 31 Cb -0.26 -3.98 0.12 0.00 -0.13 0.00 0.00 32.58 28.33 3hr5 s HIS 31 CO 0.27 -2.46 1.79 -0.91 -2.47 0.00 0.00 174.74 170.97 3hr5 h ASN 32 N -1.51 0.87 0.00 9.88 2.35 -1.94 -2.87 115.58 122.37 3hr5 h ASN 32 Ca -0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 3hr5 h ASN 32 Cb 1.25 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3hr5 h ASN 32 CO 0.44 0.74 0.00 -0.46 -1.65 0.00 0.00 177.43 176.50 3hr5 n ASN 33 N -4.48 0.00 0.00 5.81 2.04 -1.26 -4.86 115.26 112.51 3hr5 n ASN 33 Ca 0.05 -1.22 0.00 0.00 -0.44 0.00 0.00 54.58 52.97 3hr5 n ASN 33 Cb 0.11 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 3hr5 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hr5 n ALA 34 N -0.58 0.00 -1.77 -2.53 0.00 -1.08 -5.02 120.51 109.53 3hr5 n ALA 34 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 3hr5 n ALA 34 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.02 5.76 -0.21 0.00 0.01 -1.26 -4.55 114.94 113.67 3hr5 s ASN 35 Ca 0.00 2.26 -0.04 0.00 -0.71 0.00 0.00 52.86 54.37 3hr5 s ASN 35 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3hr5 s ASN 35 CO 0.00 -1.19 -0.02 0.28 -1.51 0.00 0.00 177.10 174.65 3hr5 s THR 36 N -1.66 3.62 -1.01 1.60 -1.32 -1.26 -0.11 115.64 115.50 3hr5 s THR 36 Ca 0.71 -0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.75 3hr5 s THR 36 Cb -0.27 -2.65 0.31 0.00 -1.51 0.00 0.00 72.50 68.38 3hr5 s THR 36 CO 0.31 0.42 1.48 -1.22 -2.21 0.00 0.00 174.62 173.40 3hr5 n TYR 37 N 4.59 2.52 -4.50 9.09 4.02 -1.16 -4.23 117.16 127.49 3hr5 n TYR 37 Ca -0.18 -2.75 -0.33 0.00 -0.01 0.00 0.00 57.90 54.63 3hr5 n TYR 37 Cb 0.51 -1.15 -0.13 0.00 -0.02 0.00 0.00 39.34 38.55 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 -3.15 3.09 0.09 7.72 2.96 -1.26 -1.88 118.68 126.24 3hr5 s LEU 38 Ca 0.34 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3hr5 s LEU 38 Cb 0.10 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3hr5 s LEU 38 CO 0.04 0.16 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.14 3hr5 s HIS 39 N 0.38 0.96 -0.06 5.38 3.76 0.25 -0.04 115.29 125.92 3hr5 s HIS 39 Ca -0.06 -0.66 0.06 0.00 -0.15 0.00 0.00 55.06 54.25 3hr5 s HIS 39 Cb -0.15 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 3hr5 s HIS 39 CO 0.04 -0.04 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.07 3hr5 s TRP 40 N -2.39 2.34 0.05 1.40 0.52 0.27 -0.27 118.94 120.87 3hr5 s TRP 40 Ca 0.03 -0.72 0.07 0.00 0.02 0.00 0.00 56.10 55.50 3hr5 s TRP 40 Cb -0.03 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3hr5 s TRP 40 CO -0.01 -0.23 -0.18 0.71 0.02 0.00 0.00 176.95 177.26 3hr5 s TYR 41 N -0.08 2.54 -0.17 -1.98 2.02 0.20 -0.78 117.35 119.11 3hr5 s TYR 41 Ca -0.05 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3hr5 s TYR 41 Cb -0.14 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 3hr5 s TYR 41 CO 0.04 0.27 -0.05 -1.14 -1.57 0.00 0.00 175.55 173.10 3hr5 s GLN 42 N -1.53 3.56 -0.14 -0.62 0.74 0.22 -1.21 119.66 120.68 3hr5 s GLN 42 Ca 0.15 -0.57 0.02 0.00 0.05 0.00 0.00 55.36 55.01 3hr5 s GLN 42 Cb -0.10 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.13 3hr5 s GLN 42 CO 0.06 0.14 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.62 3hr5 s GLN 43 N 0.61 2.62 0.24 1.67 0.74 0.24 -0.60 119.66 125.18 3hr5 s GLN 43 Ca -0.03 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 3hr5 s GLN 43 Cb -0.15 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.71 3hr5 s GLN 43 CO 0.03 -0.09 0.47 0.15 -0.55 0.00 0.00 175.29 175.29 3hr5 s LYS 44 N 1.05 3.58 0.24 1.67 1.02 -1.26 -1.34 119.74 124.70 3hr5 s LYS 44 Ca -0.03 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 3hr5 s LYS 44 Cb -0.14 -2.74 -0.12 0.00 -0.52 0.00 0.00 37.83 34.30 3hr5 s LYS 44 CO -0.05 0.31 1.63 -2.30 -0.92 0.00 0.00 175.35 174.02 3hr5 n PRO 45 N -0.78 2.63 -1.80 -1.68 -0.02 -1.26 -1.56 135.00 130.53 3hr5 n PRO 45 Ca -0.03 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.22 3hr5 n PRO 45 Cb 0.54 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.02 0.92 3.17 -1.23 0.00 -1.26 -5.00 105.19 104.81 3hr5 n GLY 46 Ca 0.13 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.95 0.83 0.59 1.61 -0.14 -0.60 -5.14 119.74 112.93 3hr5 s LYS 47 Ca 0.00 -1.16 -0.18 0.00 -1.36 0.00 0.00 55.97 53.27 3hr5 s LYS 47 Cb 0.00 -0.48 -0.03 0.00 -1.68 0.00 0.00 37.83 35.64 3hr5 s LYS 47 CO 0.00 0.07 1.15 0.00 -0.76 0.00 0.00 175.35 175.81 3hr5 s ALA 48 N -2.53 2.57 0.63 5.17 0.00 -1.26 -4.49 121.76 121.84 3hr5 s ALA 48 Ca 0.05 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3hr5 s ALA 48 Cb -0.02 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3hr5 s ALA 48 CO -0.01 -1.04 0.96 -2.30 0.00 0.00 0.00 175.76 173.37 3hr5 n PRO 49 N -1.69 0.80 -4.90 0.00 -0.02 -1.26 -4.55 135.00 123.37 3hr5 n PRO 49 Ca 0.12 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 3hr5 n PRO 49 Cb 0.51 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 3hr5 n PRO 49 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hr5 s LYS 50 N -2.88 1.90 0.04 -0.52 1.02 0.23 -4.96 119.74 114.57 3hr5 s LYS 50 Ca 0.76 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 3hr5 s LYS 50 Cb -0.40 -1.64 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 3hr5 s LYS 50 CO 0.47 0.27 1.52 -1.17 -0.92 0.00 0.00 175.35 175.51 3hr5 s LEU 51 N 0.00 4.34 -0.26 3.17 2.96 -1.26 -0.61 118.68 127.02 3hr5 s LEU 51 Ca -0.04 2.30 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 3hr5 s LEU 51 Cb -0.12 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 3hr5 s LEU 51 CO 0.02 -0.80 -0.33 0.18 -1.32 0.00 0.00 176.35 174.11 3hr5 n LEU 52 N 5.40 1.84 -3.74 -0.68 4.77 0.04 -4.70 117.00 119.93 3hr5 n LEU 52 Ca 0.14 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.27 3hr5 n LEU 52 Cb 0.42 -0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 3hr5 n LEU 52 CO 0.60 0.54 -0.33 -0.63 -1.33 0.00 0.00 177.39 176.25 3hr5 s ILE 53 N -2.47 -0.08 0.31 -0.08 -1.09 -1.00 -1.82 121.20 114.96 3hr5 s ILE 53 Ca -0.36 0.28 0.10 0.00 -2.23 0.00 0.00 60.65 58.44 3hr5 s ILE 53 Cb 0.14 -0.13 -0.05 0.00 -1.58 0.00 0.00 42.46 40.83 3hr5 s ILE 53 CO 0.46 0.11 -0.10 -0.72 -1.23 0.00 0.00 174.94 173.46 3hr5 s TYR 54 N 1.45 2.43 -1.26 3.97 1.13 -0.65 0.97 117.35 125.38 3hr5 s TYR 54 Ca -0.05 -0.39 -0.27 0.00 -1.41 0.00 0.00 57.07 54.96 3hr5 s TYR 54 Cb -0.13 -1.23 0.04 0.00 -1.10 0.00 0.00 41.96 39.54 3hr5 s TYR 54 CO -0.04 0.62 0.50 1.63 -2.51 0.00 0.00 175.55 175.76 3hr5 n LYS 55 N -0.77 -0.38 0.00 -3.49 5.02 -0.77 -1.66 118.16 116.11 3hr5 n LYS 55 Ca -0.05 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hr5 n LYS 55 Cb 0.61 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 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 -4.89 0.00 -0.12 -0.18 0.31 0.94 -3.88 118.33 110.52 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 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 2.42 0.47 -4.74 4.52 3.41 -1.19 -3.74 113.62 114.76 3hr5 n SER 57 Ca 0.00 -0.76 -0.40 0.00 -0.26 0.00 0.00 58.87 57.46 3hr5 n SER 57 Cb 0.00 0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.33 7.13 -0.16 4.04 0.01 -0.66 -4.48 114.94 120.49 3hr5 s ASN 58 Ca 0.00 1.36 -0.20 0.00 -0.71 0.00 0.00 52.86 53.31 3hr5 s ASN 58 Cb 0.00 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 3hr5 s ASN 58 CO 0.00 0.01 0.57 -0.13 -1.51 0.00 0.00 177.10 176.04 3hr5 s ARG 59 N 0.06 4.26 0.68 -0.60 0.52 -1.26 -1.63 118.95 120.97 3hr5 s ARG 59 Ca 0.37 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 56.00 3hr5 s ARG 59 Cb -0.20 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3hr5 s ARG 59 CO 0.21 -0.08 1.07 0.12 0.02 0.00 0.00 175.30 176.64 3hr5 s PHE 60 N 1.40 2.95 -0.05 -0.53 5.99 -0.76 -4.93 117.98 122.04 3hr5 s PHE 60 Ca 0.28 1.48 -0.39 0.00 0.00 0.00 0.00 56.93 58.30 3hr5 s PHE 60 Cb -0.16 -2.97 -0.18 0.00 0.00 0.00 0.00 43.02 39.72 3hr5 s PHE 60 CO 0.11 -1.33 1.37 0.43 -0.00 0.00 0.00 175.22 175.80 3hr5 n SER 61 N -2.82 1.35 0.00 6.13 7.64 -1.26 -2.11 113.62 122.54 3hr5 n SER 61 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3hr5 n SER 61 Cb 0.53 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 2.71 1.20 3.69 0.23 0.00 -1.26 -5.02 105.19 106.74 3hr5 n GLY 62 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.30 4.96 0.78 1.61 1.01 -0.90 -5.02 120.40 119.54 3hr5 s VAL 63 Ca 0.00 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 3hr5 s VAL 63 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.35 3hr5 s VAL 63 CO 0.00 0.13 1.21 -2.65 0.00 0.00 0.00 175.10 173.80 3hr5 n PRO 64 N 4.54 0.32 0.00 2.72 -0.02 -1.26 -4.90 135.00 136.40 3hr5 n PRO 64 Ca 0.02 0.18 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3hr5 n PRO 64 Cb 0.50 -2.45 0.76 0.00 -0.02 0.00 0.00 33.50 32.29 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 -3.06 0.00 0.18 2.55 3.41 -1.26 -2.72 113.62 112.72 3hr5 n SER 65 Ca 0.14 -0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 3hr5 n SER 65 Cb 0.50 -0.26 0.54 0.00 -0.26 0.00 0.00 64.21 64.73 3hr5 n SER 65 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3hr5 h ARG 66 N 0.00 0.00 -5.48 4.33 0.11 -1.93 -3.42 114.38 107.99 3hr5 h ARG 66 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3hr5 h ARG 66 Cb 0.25 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.23 3hr5 h ARG 66 CO 0.00 0.00 -0.27 -0.06 0.10 0.00 0.00 179.97 179.74 3hr5 s PHE 67 N -3.42 3.43 -0.01 4.08 0.08 -1.10 0.16 117.98 121.19 3hr5 s PHE 67 Ca 0.04 0.62 -0.12 0.00 0.12 0.00 0.00 56.93 57.59 3hr5 s PHE 67 Cb 0.09 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 3hr5 s PHE 67 CO 0.46 0.14 0.25 -1.54 -0.10 0.00 0.00 175.22 174.43 3hr5 s SER 68 N 0.71 -0.12 -0.00 1.36 1.04 -0.56 -4.97 113.70 111.15 3hr5 s SER 68 Ca 0.18 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.64 3hr5 s SER 68 Cb -0.14 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3hr5 s SER 68 CO 0.06 -0.41 -0.06 -0.83 0.98 0.00 0.00 173.24 172.98 3hr5 s GLY 69 N -1.29 1.76 0.26 7.32 0.00 -1.26 -1.56 107.32 112.55 3hr5 s GLY 69 Ca -0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 3hr5 s GLY 69 CO 0.03 -0.86 0.29 -1.35 0.00 0.00 0.00 173.10 171.21 3hr5 s SER 70 N -1.38 0.50 0.00 1.64 1.04 -0.38 -4.30 113.70 110.82 3hr5 s SER 70 Ca 0.17 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3hr5 s SER 70 Cb -0.11 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hr5 s SER 70 CO 0.07 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3hr5 n GLY 71 N -0.41 -0.00 3.58 7.32 0.00 -1.26 -0.80 105.19 113.61 3hr5 n GLY 71 Ca 0.02 -2.29 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.53 -0.23 0.16 1.61 1.04 -0.87 -4.97 113.70 109.91 3hr5 s SER 72 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3hr5 s SER 72 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3hr5 s SER 72 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3hr5 n GLY 73 N 0.14 1.49 0.00 7.32 0.00 -1.26 -2.88 105.19 110.00 3hr5 n GLY 73 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hr5 n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hr5 n THR 74 N 0.00 0.00 -4.18 2.61 -2.24 -1.26 -1.86 114.28 107.35 3hr5 n THR 74 Ca 0.00 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 3hr5 n THR 74 Cb 0.00 1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 3hr5 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hr5 s ASP 75 N -0.18 2.19 0.02 3.42 1.01 -1.14 0.22 116.67 122.20 3hr5 s ASP 75 Ca 0.00 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.91 3hr5 s ASP 75 Cb 0.00 -0.92 -0.02 0.00 1.01 0.00 0.00 42.92 42.99 3hr5 s ASP 75 CO 0.00 -0.05 -0.03 -0.36 0.21 0.00 0.00 175.17 174.94 3hr5 s PHE 76 N 1.30 0.29 -0.03 4.23 0.40 -0.45 -2.04 117.98 121.68 3hr5 s PHE 76 Ca -0.02 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 3hr5 s PHE 76 Cb -0.14 -0.21 0.01 0.00 0.51 0.00 0.00 43.02 43.20 3hr5 s PHE 76 CO -0.04 -0.19 -0.05 0.99 0.70 0.00 0.00 175.22 176.62 3hr5 s THR 77 N -1.54 0.53 -0.21 0.64 2.01 0.02 -0.45 115.64 116.64 3hr5 s THR 77 Ca -0.15 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 3hr5 s THR 77 Cb -0.09 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 3hr5 s THR 77 CO -0.01 0.19 0.02 -0.22 -0.69 0.00 0.00 174.62 173.91 3hr5 s LEU 78 N 0.44 3.34 -0.17 4.42 2.96 0.47 -1.25 118.68 128.89 3hr5 s LEU 78 Ca -0.06 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3hr5 s LEU 78 Cb -0.09 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3hr5 s LEU 78 CO 0.00 0.06 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.12 3hr5 s THR 79 N 1.02 3.27 -0.46 3.68 2.01 -0.60 0.21 115.64 124.77 3hr5 s THR 79 Ca 0.02 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 3hr5 s THR 79 Cb -0.14 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 69.98 3hr5 s THR 79 CO 0.02 0.48 0.42 -0.63 -0.69 0.00 0.00 174.62 174.21 3hr5 s ILE 80 N 0.88 5.16 0.33 1.82 1.01 0.81 -1.50 121.20 129.70 3hr5 s ILE 80 Ca -0.02 -0.78 0.16 0.00 0.00 0.00 0.00 60.65 60.01 3hr5 s ILE 80 Cb -0.15 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.34 3hr5 s ILE 80 CO 0.01 -0.53 1.82 0.77 0.00 0.00 0.00 174.94 177.01 3hr5 h SER 81 N 8.76 0.00 -1.81 3.58 4.64 -0.56 0.11 113.55 128.27 3hr5 h SER 81 Ca -0.28 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.71 3hr5 h SER 81 Cb 1.11 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.91 3hr5 h SER 81 CO 0.85 0.36 -0.67 -0.55 -0.87 0.00 0.00 176.83 175.94 3hr5 s SER 82 N -6.71 0.70 0.27 4.97 0.15 -1.24 -3.95 113.70 107.89 3hr5 s SER 82 Ca -0.02 -1.64 -0.30 0.00 0.70 0.00 0.00 55.95 54.69 3hr5 s SER 82 Cb 0.13 0.73 -0.13 0.00 -1.71 0.00 0.00 66.02 65.05 3hr5 s SER 82 CO 0.70 -0.22 1.46 -0.11 1.20 0.00 0.00 173.24 176.27 3hr5 n LEU 83 N 4.04 3.63 -4.33 3.45 7.94 0.42 -4.55 117.00 127.60 3hr5 n LEU 83 Ca 0.13 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.97 3hr5 n LEU 83 Cb 0.47 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.82 3hr5 n LEU 83 CO 0.07 -0.25 -0.48 -1.10 -1.11 0.00 0.00 177.39 174.52 3hr5 s GLN 84 N -0.62 1.28 0.32 1.96 -1.52 -1.26 -0.37 119.66 119.44 3hr5 s GLN 84 Ca 0.65 -1.41 0.05 0.00 -1.95 0.00 0.00 55.36 52.70 3hr5 s GLN 84 Cb -0.58 -1.33 0.69 0.00 -0.22 0.00 0.00 33.01 31.57 3hr5 s GLN 84 CO 0.51 0.27 1.85 -1.35 -0.25 0.00 0.00 175.29 176.31 3hr5 h PRO 85 N 3.23 0.81 0.00 2.91 0.11 -1.90 -0.11 132.00 137.05 3hr5 h PRO 85 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hr5 h PRO 85 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hr5 h PRO 85 CO 0.51 0.54 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 3hr5 n GLU 86 N -4.60 0.23 0.00 1.05 0.00 -1.08 -2.83 120.64 113.42 3hr5 n GLU 86 Ca 0.18 0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.60 3hr5 n GLU 86 Cb 0.42 -1.50 0.52 0.00 0.00 0.00 0.00 31.44 30.88 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 -1.19 0.73 -4.62 -1.84 8.00 -0.05 -4.83 116.55 112.74 3hr5 n ASP 87 Ca 0.07 -0.75 -0.46 0.00 0.71 0.00 0.00 54.79 54.35 3hr5 n ASP 87 Cb 0.07 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3hr5 n ASP 87 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hr5 n PHE 88 N -0.77 2.18 -3.94 1.24 -0.00 -1.13 -4.85 117.46 110.19 3hr5 n PHE 88 Ca 0.14 -0.09 0.02 0.00 -0.00 0.00 0.00 57.45 57.52 3hr5 n PHE 88 Cb 0.31 -2.70 0.01 0.00 -0.00 0.00 0.00 39.48 37.10 3hr5 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hr5 s ALA 89 N 5.74 -2.33 -0.17 3.13 0.00 -1.18 -4.82 121.76 122.12 3hr5 s ALA 89 Ca 0.96 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 3hr5 s ALA 89 Cb -0.56 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3hr5 s ALA 89 CO 0.45 -1.13 0.01 0.99 0.00 0.00 0.00 175.76 176.08 3hr5 s THR 90 N -2.08 4.23 -0.12 0.00 2.01 -0.45 -0.58 115.64 118.65 3hr5 s THR 90 Ca 0.27 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 3hr5 s THR 90 Cb -0.00 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3hr5 s THR 90 CO -0.00 0.47 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.02 3hr5 s TYR 91 N 0.49 2.95 -0.05 4.92 1.51 -0.29 -0.59 117.35 126.29 3hr5 s TYR 91 Ca -0.01 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 3hr5 s TYR 91 Cb -0.14 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3hr5 s TYR 91 CO 0.02 0.07 -0.17 0.71 -1.11 0.00 0.00 175.55 175.07 3hr5 s TYR 92 N -0.10 1.75 0.48 2.71 1.51 -0.35 -0.70 117.35 122.65 3hr5 s TYR 92 Ca 0.01 -0.55 -0.10 0.00 -1.01 0.00 0.00 57.07 55.41 3hr5 s TYR 92 Cb -0.13 -1.20 -0.06 0.00 -0.11 0.00 0.00 41.96 40.47 3hr5 s TYR 92 CO 0.03 -0.21 0.85 0.00 -1.11 0.00 0.00 175.55 175.11 3hr5 s SER 94 N -3.54 -0.28 -0.04 0.00 0.15 0.63 -1.25 113.70 109.38 3hr5 s SER 94 Ca 0.52 0.29 0.03 0.00 0.70 0.00 0.00 55.95 57.49 3hr5 s SER 94 Cb -0.10 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3hr5 s SER 94 CO 0.38 -0.39 -0.11 0.00 1.20 0.00 0.00 173.24 174.32 3hr5 s GLN 95 N -0.98 1.22 -0.00 5.44 1.03 -0.32 -0.58 119.66 125.46 3hr5 s GLN 95 Ca -0.10 -0.37 0.00 0.00 0.04 0.00 0.00 55.36 54.93 3hr5 s GLN 95 Cb -0.04 -1.10 0.01 0.00 0.03 0.00 0.00 33.01 31.91 3hr5 s GLN 95 CO 0.04 0.12 0.95 0.09 -2.54 0.00 0.00 175.29 173.95 3hr5 n ASN 96 N 3.37 1.80 0.08 12.60 5.03 -0.79 -2.29 115.26 135.06 3hr5 n ASN 96 Ca -0.19 -1.92 -0.07 0.00 0.87 0.00 0.00 54.58 53.27 3hr5 n ASN 96 Cb 0.53 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.25 3hr5 n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hr5 h THR 97 N 0.33 1.60 -3.20 3.41 1.03 -1.88 -3.46 112.91 110.74 3hr5 h THR 97 Ca 0.00 -2.96 -0.45 0.00 -0.01 0.00 0.00 66.41 62.99 3hr5 h THR 97 Cb 0.57 2.63 -0.16 0.00 -1.07 0.00 0.00 68.15 70.11 3hr5 h THR 97 CO 0.00 0.85 -0.75 -0.76 -0.01 0.00 0.00 175.52 174.85 3hr5 s LEU 98 N -7.07 2.49 -0.19 0.00 1.43 -1.26 -4.93 118.68 109.15 3hr5 s LEU 98 Ca -0.01 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 3hr5 s LEU 98 Cb 0.10 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3hr5 s LEU 98 CO 0.81 -0.14 0.12 -0.69 0.23 0.00 0.00 176.35 176.68 3hr5 s VAL 99 N -2.57 5.29 0.42 -1.59 1.01 -1.26 -3.04 120.40 118.67 3hr5 s VAL 99 Ca 0.17 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 3hr5 s VAL 99 Cb -0.03 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 3hr5 s VAL 99 CO 0.05 0.46 1.15 -2.16 0.00 0.00 0.00 175.10 174.60 3hr5 s PRO 100 N 0.26 3.97 0.20 2.72 0.04 -1.26 -4.89 135.00 136.03 3hr5 s PRO 100 Ca 0.08 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 3hr5 s PRO 100 Cb -0.11 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 3hr5 s PRO 100 CO -0.01 -0.38 1.46 -1.58 0.04 0.00 0.00 177.00 176.53 3hr5 s TRP 101 N -1.49 3.09 0.26 0.56 0.51 -1.17 -4.72 118.94 115.98 3hr5 s TRP 101 Ca 0.59 0.91 0.04 0.00 -2.12 0.00 0.00 56.10 55.53 3hr5 s TRP 101 Cb -0.29 -3.81 -0.05 0.00 -0.81 0.00 0.00 33.47 28.51 3hr5 s TRP 101 CO 0.36 -2.77 0.00 0.95 -0.51 0.00 0.00 176.95 174.97 3hr5 s THR 102 N 0.52 1.16 0.02 2.01 -4.23 -0.97 -4.99 115.64 109.16 3hr5 s THR 102 Ca 0.63 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3hr5 s THR 102 Cb -0.41 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 3hr5 s THR 102 CO 0.37 -0.25 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.81 3hr5 s PHE 103 N -3.33 0.23 1.24 3.99 0.08 -1.26 -1.17 117.98 117.76 3hr5 s PHE 103 Ca 0.30 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 3hr5 s PHE 103 Cb 0.06 -0.16 0.30 0.00 -0.57 0.00 0.00 43.02 42.65 3hr5 s PHE 103 CO 0.11 -0.14 1.08 0.20 -0.10 0.00 0.00 175.22 176.37 3hr5 s GLY 104 N -1.13 1.56 0.50 4.36 0.00 -0.38 -4.57 107.32 107.65 3hr5 s GLY 104 Ca -0.12 -0.92 0.29 0.00 0.00 0.00 0.00 44.72 43.97 3hr5 s GLY 104 CO -0.01 -0.02 1.85 0.06 0.00 0.00 0.00 173.10 174.99 3hr5 h GLN 105 N -2.73 0.00 0.00 2.90 3.07 -1.91 -3.45 115.11 112.99 3hr5 h GLN 105 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 3hr5 h GLN 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 3hr5 h GLN 105 CO 0.33 0.04 0.00 0.41 0.09 0.00 0.00 178.83 179.70 3hr5 n GLY 106 N 0.36 1.57 3.10 0.06 0.00 -1.26 -5.04 105.19 103.99 3hr5 n GLY 106 Ca 0.01 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.58 1.98 -0.25 2.61 2.01 0.12 -4.68 115.64 115.85 3hr5 s THR 107 Ca 0.00 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 3hr5 s THR 107 Cb 0.00 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 3hr5 s THR 107 CO 0.00 0.52 0.84 -0.75 -0.69 0.00 0.00 174.62 174.54 3hr5 s LYS 108 N 1.32 4.15 -0.29 4.92 2.20 0.02 -1.14 119.74 130.93 3hr5 s LYS 108 Ca 0.05 0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 56.49 3hr5 s LYS 108 Cb -0.13 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3hr5 s LYS 108 CO -0.13 -0.56 0.11 0.08 -0.36 0.00 0.00 175.35 174.50 3hr5 s VAL 109 N 2.91 4.40 -0.10 4.02 1.01 0.25 -1.14 120.40 131.75 3hr5 s VAL 109 Ca 0.35 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 3hr5 s VAL 109 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3hr5 s VAL 109 CO 0.08 0.16 0.09 -0.70 0.00 0.00 0.00 175.10 174.73 3hr5 s GLU 110 N 1.59 3.26 -0.28 2.72 -6.30 0.25 -3.08 118.70 116.86 3hr5 s GLU 110 Ca 0.05 -0.25 -0.11 0.00 -2.50 0.00 0.00 54.97 52.16 3hr5 s GLU 110 Cb -0.16 -3.03 -0.05 0.00 0.00 0.00 0.00 34.13 30.88 3hr5 s GLU 110 CO 0.05 0.74 0.18 0.96 0.02 0.00 0.00 175.26 177.21 3hr5 s ILE 111 N -1.00 5.26 0.47 -3.70 -4.36 -1.26 -2.18 121.20 114.42 3hr5 s ILE 111 Ca 0.15 0.15 -0.20 0.00 -0.26 0.00 0.00 60.65 60.49 3hr5 s ILE 111 Cb -0.12 -3.50 -0.09 0.00 1.25 0.00 0.00 42.46 40.00 3hr5 s ILE 111 CO 0.04 0.26 1.01 -0.75 0.24 0.00 0.00 174.94 175.74 3hr5 s LYS 112 N 1.71 3.95 0.24 0.37 2.20 0.26 -4.90 119.74 123.57 3hr5 s LYS 112 Ca 0.07 1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 56.75 3hr5 s LYS 112 Cb -0.16 -2.12 0.03 0.00 -1.51 0.00 0.00 37.83 34.06 3hr5 s LYS 112 CO 0.10 -0.29 0.62 0.50 -0.36 0.00 0.00 175.35 175.92 3hr5 s ARG 113 N -3.24 1.57 0.47 4.03 3.52 -1.26 -4.00 118.95 120.04 3hr5 s ARG 113 Ca 0.65 -0.91 -0.23 0.00 -0.13 0.00 0.00 55.73 55.11 3hr5 s ARG 113 Cb -0.14 0.56 -0.07 0.00 -1.56 0.00 0.00 34.95 33.75 3hr5 s ARG 113 CO 0.18 -0.70 1.16 0.95 -0.81 0.00 0.00 175.30 176.08 3hr5 s THR 114 N -3.89 3.11 -0.15 4.11 -4.23 -1.26 -4.92 115.64 108.40 3hr5 s THR 114 Ca 0.10 0.82 -0.34 0.00 -1.18 0.00 0.00 61.69 61.09 3hr5 s THR 114 Cb -0.03 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.29 3hr5 s THR 114 CO 0.02 -0.02 1.96 0.52 -0.54 0.00 0.00 174.62 176.55 3hr5 n VAL 115 N -0.56 0.49 -4.60 2.29 0.31 -1.26 -4.72 118.33 110.28 3hr5 n VAL 115 Ca 0.08 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 3hr5 n VAL 115 Cb 0.48 -1.88 -0.16 0.00 -0.91 0.00 0.00 33.84 31.37 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 4.97 2.35 0.29 3.52 0.00 0.75 -4.90 121.76 128.74 3hr5 s ALA 116 Ca 0.96 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 3hr5 s ALA 116 Cb -0.70 -1.10 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 3hr5 s ALA 116 CO 0.50 -0.04 1.00 0.00 0.00 0.00 0.00 175.76 177.22 3hr5 s ALA 117 N 0.83 3.30 0.49 0.00 0.00 -1.26 0.01 121.76 125.13 3hr5 s ALA 117 Ca -0.06 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 3hr5 s ALA 117 Cb -0.15 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3hr5 s ALA 117 CO -0.01 0.05 1.08 -1.25 0.00 0.00 0.00 175.76 175.63 3hr5 s PRO 118 N -1.59 3.71 -0.19 0.00 0.04 -1.26 -4.57 135.00 131.15 3hr5 s PRO 118 Ca 0.46 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 3hr5 s PRO 118 Cb -0.26 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 3hr5 s PRO 118 CO 0.32 -0.53 0.44 -1.12 0.04 0.00 0.00 177.00 176.15 3hr5 s SER 119 N -1.77 6.51 -0.12 6.66 0.01 -0.54 -4.83 113.70 119.61 3hr5 s SER 119 Ca 0.67 0.60 -0.06 0.00 1.31 0.00 0.00 55.95 58.47 3hr5 s SER 119 Cb -0.21 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3hr5 s SER 119 CO 0.25 -0.09 0.12 -0.69 0.41 0.00 0.00 173.24 173.23 3hr5 s VAL 120 N 1.30 5.30 -0.01 3.43 1.01 -1.26 -0.15 120.40 130.03 3hr5 s VAL 120 Ca 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3hr5 s VAL 120 Cb -0.15 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3hr5 s VAL 120 CO 0.09 0.61 0.02 -0.36 0.00 0.00 0.00 175.10 175.46 3hr5 s PHE 121 N -0.93 -0.00 0.02 5.22 0.08 0.26 -4.98 117.98 117.65 3hr5 s PHE 121 Ca 0.14 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.30 3hr5 s PHE 121 Cb -0.12 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 3hr5 s PHE 121 CO 0.03 -0.04 0.01 -1.50 -0.10 0.00 0.00 175.22 173.62 3hr5 s ILE 122 N 0.41 4.17 -0.10 0.64 2.07 -1.26 0.61 121.20 127.73 3hr5 s ILE 122 Ca -0.03 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.53 3hr5 s ILE 122 Cb -0.05 -2.89 0.02 0.00 0.13 0.00 0.00 42.46 39.67 3hr5 s ILE 122 CO -0.01 0.32 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.90 3hr5 s PHE 123 N -1.15 1.38 0.59 3.50 0.08 0.21 -4.99 117.98 117.61 3hr5 s PHE 123 Ca 0.21 -0.64 -0.17 0.00 0.12 0.00 0.00 56.93 56.45 3hr5 s PHE 123 Cb -0.12 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 3hr5 s PHE 123 CO 0.12 -0.45 1.10 -1.25 -0.10 0.00 0.00 175.22 174.64 3hr5 s PRO 124 N 1.53 3.17 0.69 0.24 0.04 -1.26 -1.48 135.00 137.93 3hr5 s PRO 124 Ca 0.01 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 3hr5 s PRO 124 Cb -0.13 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3hr5 s PRO 124 CO -0.06 -0.96 1.18 -0.35 0.04 0.00 0.00 177.00 176.84 3hr5 n PRO 125 N -1.87 0.76 -2.06 0.56 -0.04 -1.20 -4.88 135.00 126.28 3hr5 n PRO 125 Ca 0.10 0.32 -0.32 0.00 -0.04 0.00 0.00 63.50 63.56 3hr5 n PRO 125 Cb 0.52 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 3hr5 n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hr5 s SER 126 N -1.58 5.93 0.25 3.54 1.04 -1.26 -4.94 113.70 116.68 3hr5 s SER 126 Ca 0.78 1.73 -0.03 0.00 0.48 0.00 0.00 55.95 58.91 3hr5 s SER 126 Cb -0.36 -2.52 0.45 0.00 0.10 0.00 0.00 66.02 63.70 3hr5 s SER 126 CO 0.45 -1.06 1.77 0.44 0.98 0.00 0.00 173.24 175.82 3hr5 h ASP 127 N 0.40 0.50 -0.12 7.02 3.32 -1.98 -1.86 116.42 123.70 3hr5 h ASP 127 Ca -0.46 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 3hr5 h ASP 127 Cb 1.21 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3hr5 h ASP 127 CO 0.58 0.24 -0.38 1.05 -1.72 0.00 0.00 179.24 179.02 3hr5 h GLU 128 N 0.62 0.64 -0.03 3.56 9.09 -1.99 0.06 114.58 126.53 3hr5 h GLU 128 Ca 0.42 -0.31 -0.13 0.00 0.05 0.00 0.00 59.36 59.39 3hr5 h GLU 128 Cb 0.54 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 3hr5 h GLU 128 CO -0.33 0.91 -0.58 0.37 0.05 0.00 0.00 179.01 179.43 3hr5 h GLN 129 N 0.53 0.09 0.00 1.06 4.15 -1.87 -3.07 115.11 116.00 3hr5 h GLN 129 Ca 0.05 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3hr5 h GLN 129 Cb 0.89 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3hr5 h GLN 129 CO 0.08 0.64 -0.48 1.25 -1.93 0.00 0.00 178.83 178.39 3hr5 h LEU 130 N 0.07 0.00 -0.76 -2.39 5.85 -0.77 -1.98 115.31 115.33 3hr5 h LEU 130 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hr5 h LEU 130 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3hr5 h LEU 130 CO 0.08 0.48 0.00 0.29 -0.34 0.00 0.00 178.44 178.95 3hr5 n LYS 131 N -3.87 0.16 -0.26 1.25 5.02 -0.04 -2.93 118.16 117.49 3hr5 n LYS 131 Ca -0.01 0.45 0.08 0.00 -2.02 0.00 0.00 58.31 56.81 3hr5 n LYS 131 Cb 0.51 -1.84 0.22 0.00 -0.02 0.00 0.00 35.03 33.90 3hr5 n LYS 131 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hr5 n SER 132 N -2.15 3.35 0.00 4.39 3.41 -0.75 -4.99 113.62 116.89 3hr5 n SER 132 Ca 0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3hr5 n SER 132 Cb 0.18 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.95 1.32 3.62 5.00 0.00 -1.15 -5.04 105.19 109.90 3hr5 n GLY 133 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.89 3.37 -0.29 2.61 2.01 -1.22 -1.34 115.64 117.88 3hr5 s THR 134 Ca 0.00 -1.81 -0.03 0.00 0.31 0.00 0.00 61.69 60.16 3hr5 s THR 134 Cb 0.00 -2.75 0.11 0.00 0.01 0.00 0.00 72.50 69.87 3hr5 s THR 134 CO 0.00 -0.28 0.18 0.00 -0.69 0.00 0.00 174.62 173.84 3hr5 s ALA 135 N -2.10 0.26 -0.25 7.40 0.00 -0.02 -3.68 121.76 123.37 3hr5 s ALA 135 Ca 0.29 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 3hr5 s ALA 135 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 3hr5 s ALA 135 CO 0.18 -1.66 0.31 -1.12 0.00 0.00 0.00 175.76 173.47 3hr5 s SER 136 N 2.19 6.23 -0.18 0.00 0.01 -1.26 -1.67 113.70 119.02 3hr5 s SER 136 Ca 0.09 0.26 -0.07 0.00 1.31 0.00 0.00 55.95 57.54 3hr5 s SER 136 Cb -0.15 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3hr5 s SER 136 CO -0.35 -0.08 0.06 -0.69 0.41 0.00 0.00 173.24 172.59 3hr5 s VAL 137 N 1.62 4.77 -0.08 3.43 1.01 -0.10 -3.21 120.40 127.84 3hr5 s VAL 137 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3hr5 s VAL 137 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3hr5 s VAL 137 CO 0.08 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 3hr5 s VAL 138 N 0.38 2.81 -0.18 2.92 1.01 -0.55 -0.49 120.40 126.31 3hr5 s VAL 138 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3hr5 s VAL 138 Cb -0.12 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3hr5 s VAL 138 CO 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 3hr5 s LEU 140 N 1.19 4.03 -0.27 0.00 0.20 0.20 -1.00 118.68 123.03 3hr5 s LEU 140 Ca 0.02 0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.89 3hr5 s LEU 140 Cb -0.14 -2.07 0.01 0.00 -0.43 0.00 0.00 46.19 43.57 3hr5 s LEU 140 CO -0.08 0.09 0.03 -0.76 -0.29 0.00 0.00 176.35 175.33 3hr5 s LEU 141 N 0.91 3.57 -0.16 -0.68 1.02 0.56 -0.57 118.68 123.33 3hr5 s LEU 141 Ca 0.07 -0.73 -0.04 0.00 0.02 0.00 0.00 54.13 53.44 3hr5 s LEU 141 Cb -0.13 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 3hr5 s LEU 141 CO 0.03 -0.16 -0.02 0.21 0.02 0.00 0.00 176.35 176.44 3hr5 s ASN 142 N 1.44 4.95 -0.74 2.29 2.47 0.79 -1.12 114.94 125.02 3hr5 s ASN 142 Ca 0.02 -0.10 -0.03 0.00 0.42 0.00 0.00 52.86 53.17 3hr5 s ASN 142 Cb -0.17 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 3hr5 s ASN 142 CO -0.00 0.16 0.65 0.59 -3.72 0.00 0.00 177.10 174.78 3hr5 n ASN 143 N 3.58 -6.42 -4.38 -4.21 3.02 -0.92 -1.47 115.26 104.46 3hr5 n ASN 143 Ca -0.17 -0.42 -0.20 0.00 -0.03 0.00 0.00 54.58 53.75 3hr5 n ASN 143 Cb 0.52 -3.55 -0.10 0.00 -0.61 0.00 0.00 39.78 36.04 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 -2.88 1.88 -0.10 3.10 -0.71 -0.47 -4.48 117.98 114.32 3hr5 s PHE 144 Ca 0.04 -0.50 -0.08 0.00 -1.04 0.00 0.00 56.93 55.35 3hr5 s PHE 144 Cb -0.01 -0.86 0.03 0.00 -1.21 0.00 0.00 43.02 40.98 3hr5 s PHE 144 CO 0.82 0.46 0.26 -0.47 -1.34 0.00 0.00 175.22 174.95 3hr5 s TYR 145 N -2.77 -0.31 0.73 3.49 6.14 0.10 -1.09 117.35 123.64 3hr5 s TYR 145 Ca 0.24 0.74 -0.10 0.00 0.64 0.00 0.00 57.07 58.59 3hr5 s TYR 145 Cb -0.02 0.09 0.16 0.00 0.42 0.00 0.00 41.96 42.61 3hr5 s TYR 145 CO 0.09 -0.17 1.00 -0.35 0.64 0.00 0.00 175.55 176.76 3hr5 n PRO 146 N 3.33 -0.80 -0.05 4.97 -0.05 -1.26 -0.18 135.00 140.96 3hr5 n PRO 146 Ca -0.16 -1.75 0.00 0.00 -0.05 0.00 0.00 63.50 61.54 3hr5 n PRO 146 Cb 0.57 -0.96 0.30 0.00 -0.05 0.00 0.00 33.50 33.35 3hr5 n PRO 146 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3hr5 h ARG 147 N 0.00 0.64 -6.30 0.54 2.43 -1.97 -3.43 114.38 106.28 3hr5 h ARG 147 Ca -0.32 -0.10 -0.54 0.00 -0.81 0.00 0.00 59.98 58.21 3hr5 h ARG 147 Cb 0.95 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hr5 h ARG 147 CO 0.25 0.55 1.13 -1.21 -1.51 0.00 0.00 179.97 179.19 3hr5 s GLU 148 N -5.24 4.17 0.02 0.20 8.01 -1.26 -4.99 118.70 119.61 3hr5 s GLU 148 Ca -0.09 2.34 -0.10 0.00 0.01 0.00 0.00 54.97 57.14 3hr5 s GLU 148 Cb 0.16 -4.03 0.01 0.00 -4.31 0.00 0.00 34.13 25.96 3hr5 s GLU 148 CO 0.77 -0.88 0.20 0.00 0.01 0.00 0.00 175.26 175.35 3hr5 s ALA 149 N 4.11 -0.43 -0.21 5.21 0.00 -1.26 -4.67 121.76 124.51 3hr5 s ALA 149 Ca 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3hr5 s ALA 149 Cb -0.37 0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3hr5 s ALA 149 CO 0.34 -0.29 -0.12 0.15 0.00 0.00 0.00 175.76 175.84 3hr5 s LYS 150 N -1.97 2.97 -0.35 0.00 1.02 -0.50 -5.00 119.74 115.92 3hr5 s LYS 150 Ca -0.10 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 3hr5 s LYS 150 Cb -0.04 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3hr5 s LYS 150 CO -0.01 -0.29 0.17 0.08 -0.92 0.00 0.00 175.35 174.38 3hr5 s VAL 151 N 1.33 4.34 -0.18 3.17 1.01 -1.26 -1.42 120.40 127.39 3hr5 s VAL 151 Ca 0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3hr5 s VAL 151 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3hr5 s VAL 151 CO -0.08 -0.17 0.07 -1.10 0.00 0.00 0.00 175.10 173.83 3hr5 s GLN 152 N 1.52 3.98 -0.00 2.72 -0.21 -0.48 -4.96 119.66 122.23 3hr5 s GLN 152 Ca 0.01 -0.32 -0.14 0.00 0.02 0.00 0.00 55.36 54.94 3hr5 s GLN 152 Cb -0.19 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.53 3hr5 s GLN 152 CO 0.05 0.30 0.40 -1.58 -2.12 0.00 0.00 175.29 172.34 3hr5 s TRP 153 N 0.29 3.72 -0.12 0.91 0.52 -1.26 -0.55 118.94 122.45 3hr5 s TRP 153 Ca 0.04 0.97 -0.00 0.00 0.02 0.00 0.00 56.10 57.12 3hr5 s TRP 153 Cb -0.12 -2.27 0.03 0.00 -1.15 0.00 0.00 33.47 29.96 3hr5 s TRP 153 CO -0.00 0.64 -0.07 0.15 0.02 0.00 0.00 176.95 177.69 3hr5 s LYS 154 N -1.12 1.49 -0.24 4.98 1.02 0.42 -0.64 119.74 125.65 3hr5 s LYS 154 Ca 0.24 -0.29 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 3hr5 s LYS 154 Cb -0.16 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 3hr5 s LYS 154 CO 0.13 -0.30 -0.05 0.08 -0.92 0.00 0.00 175.35 174.30 3hr5 s VAL 155 N 1.70 3.17 -1.47 3.17 1.01 -0.39 -1.17 120.40 126.42 3hr5 s VAL 155 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3hr5 s VAL 155 Cb -0.13 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3hr5 s VAL 155 CO -0.08 0.31 0.16 0.47 0.00 0.00 0.00 175.10 175.96 3hr5 n ASP 156 N 4.75 -0.20 0.00 3.32 8.00 -0.16 -0.53 116.55 131.73 3hr5 n ASP 156 Ca -0.17 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.05 3hr5 n ASP 156 Cb 0.49 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 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 -2.72 0.00 -4.60 -2.24 3.02 -1.26 -4.97 115.26 102.48 3hr5 n ASN 157 Ca -0.28 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.84 3hr5 n ASN 157 Cb 0.67 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.62 3.14 0.12 5.41 0.00 0.31 -4.98 121.76 124.14 3hr5 s ALA 158 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 3hr5 s ALA 158 Cb 0.00 -3.91 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 3hr5 s ALA 158 CO 0.00 -2.29 1.85 -1.17 0.00 0.00 0.00 175.76 174.15 3hr5 s LEU 159 N 4.54 4.40 0.34 0.00 2.96 -1.26 -1.26 118.68 128.41 3hr5 s LEU 159 Ca 0.48 2.77 -0.08 0.00 -0.22 0.00 0.00 54.13 57.08 3hr5 s LEU 159 Cb -0.07 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 3hr5 s LEU 159 CO 0.32 -1.02 0.66 -1.10 -1.32 0.00 0.00 176.35 173.89 3hr5 s GLN 160 N 2.85 3.73 -0.15 1.98 -1.52 0.19 -4.97 119.66 121.77 3hr5 s GLN 160 Ca 0.82 0.27 -0.19 0.00 -1.95 0.00 0.00 55.36 54.30 3hr5 s GLN 160 Cb -0.46 -2.52 0.05 0.00 -0.22 0.00 0.00 33.01 29.86 3hr5 s GLN 160 CO 0.37 0.10 0.51 0.45 -0.25 0.00 0.00 175.29 176.47 3hr5 s SER 161 N -3.07 -0.51 0.00 5.90 0.15 -1.26 -4.65 113.70 110.26 3hr5 s SER 161 Ca 0.48 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.00 3hr5 s SER 161 Cb -0.11 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3hr5 s SER 161 CO 0.29 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3hr5 n GLY 162 N 2.32 1.80 1.37 9.45 0.00 -1.26 -4.82 105.19 114.05 3hr5 n GLY 162 Ca -0.15 0.00 -0.10 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 3.45 -4.16 1.61 6.94 -1.26 -5.03 115.26 116.81 3hr5 n ASN 163 Ca 0.00 -3.82 -0.18 0.00 -0.02 0.00 0.00 54.58 50.56 3hr5 n ASN 163 Cb 0.00 -0.52 -0.12 0.00 -2.36 0.00 0.00 39.78 36.78 3hr5 n ASN 163 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3hr5 s SER 164 N -3.12 1.60 -0.05 0.53 0.15 -1.26 -2.42 113.70 109.13 3hr5 s SER 164 Ca 0.46 -0.60 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 3hr5 s SER 164 Cb 0.40 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 3hr5 s SER 164 CO -0.01 -0.08 0.09 -1.10 1.20 0.00 0.00 173.24 173.34 3hr5 s GLN 165 N -1.68 -0.04 -0.01 5.44 -0.21 0.01 -4.95 119.66 118.22 3hr5 s GLN 165 Ca -0.03 0.41 -0.19 0.00 0.02 0.00 0.00 55.36 55.58 3hr5 s GLN 165 Cb -0.10 -0.41 -0.05 0.00 1.00 0.00 0.00 33.01 33.45 3hr5 s GLN 165 CO 0.02 -0.30 0.55 -1.21 -2.12 0.00 0.00 175.29 172.22 3hr5 s GLU 166 N 2.08 4.25 -0.06 2.91 2.02 -1.26 -1.43 118.70 127.21 3hr5 s GLU 166 Ca 0.03 0.65 0.06 0.00 0.02 0.00 0.00 54.97 55.72 3hr5 s GLU 166 Cb -0.12 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 3hr5 s GLU 166 CO -0.04 0.43 -0.23 0.45 0.02 0.00 0.00 175.26 175.89 3hr5 s SER 167 N -0.34 2.85 -0.04 -0.19 0.15 -0.05 -5.00 113.70 111.08 3hr5 s SER 167 Ca 0.29 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3hr5 s SER 167 Cb -0.18 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 3hr5 s SER 167 CO 0.16 0.22 -0.17 -0.69 1.20 0.00 0.00 173.24 173.96 3hr5 s VAL 168 N -0.09 2.86 0.55 4.45 1.01 -1.26 -0.82 120.40 127.10 3hr5 s VAL 168 Ca -0.04 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 3hr5 s VAL 168 Cb -0.13 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3hr5 s VAL 168 CO 0.04 0.59 1.08 -0.89 0.00 0.00 0.00 175.10 175.92 3hr5 s THR 169 N -0.69 3.52 0.67 3.92 2.01 0.11 -5.00 115.64 120.17 3hr5 s THR 169 Ca 0.11 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 62.80 3hr5 s THR 169 Cb -0.11 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3hr5 s THR 169 CO 0.00 -0.29 1.23 -0.70 -0.69 0.00 0.00 174.62 174.17 3hr5 s GLU 170 N -3.55 2.51 0.28 4.92 2.56 -1.26 -4.53 118.70 119.63 3hr5 s GLU 170 Ca 0.68 1.84 -0.30 0.00 0.00 0.00 0.00 54.97 57.19 3hr5 s GLU 170 Cb -0.19 -1.87 -0.12 0.00 2.00 0.00 0.00 34.13 33.95 3hr5 s GLU 170 CO 0.29 -1.57 1.53 0.94 -0.56 0.00 0.00 175.26 175.89 3hr5 n GLN 171 N -2.17 2.49 -2.10 4.30 7.27 -1.26 -4.77 117.38 121.13 3hr5 n GLN 171 Ca 0.14 0.88 -0.42 0.00 0.07 0.00 0.00 57.00 57.68 3hr5 n GLN 171 Cb 0.50 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.49 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 0.39 6.75 0.00 1.69 -1.08 -0.02 -4.91 116.67 119.50 3hr5 s ASP 172 Ca 0.65 2.44 0.27 0.00 -0.52 0.00 0.00 52.55 55.38 3hr5 s ASP 172 Cb -0.54 -2.59 1.55 0.00 -1.46 0.00 0.00 42.92 39.87 3hr5 s ASP 172 CO 0.50 -0.69 1.94 -1.54 0.52 0.00 0.00 175.17 175.89 3hr5 n SER 173 N 3.65 0.00 -0.02 -0.34 3.41 -1.26 -1.37 113.62 117.69 3hr5 n SER 173 Ca 0.11 -0.71 -0.06 0.00 -0.26 0.00 0.00 58.87 57.95 3hr5 n SER 173 Cb 0.41 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3hr5 n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hr5 n LYS 174 N -1.05 0.24 0.00 4.33 5.02 -1.26 -2.62 118.16 122.82 3hr5 n LYS 174 Ca 0.19 0.10 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 3hr5 n LYS 174 Cb 0.11 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 3hr5 n LYS 174 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hr5 n ASP 175 N -3.81 1.61 -0.40 4.39 5.68 -1.26 -4.89 116.55 117.87 3hr5 n ASP 175 Ca -0.11 -1.31 -0.05 0.00 -0.50 0.00 0.00 54.79 52.82 3hr5 n ASP 175 Cb 0.35 0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.51 -4.30 -4.88 -1.12 7.64 -0.47 -4.99 113.62 104.99 3hr5 n SER 176 Ca 0.07 0.13 -0.25 0.00 1.01 0.00 0.00 58.87 59.83 3hr5 n SER 176 Cb 0.40 -2.26 0.07 0.00 -1.01 0.00 0.00 64.21 61.41 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 -1.97 2.31 0.17 0.44 -4.23 -1.26 -4.58 115.64 106.52 3hr5 s THR 177 Ca 0.00 -0.34 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 3hr5 s THR 177 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 3hr5 s THR 177 CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 3hr5 s TYR 178 N -3.19 1.89 0.15 3.99 1.51 -0.25 -0.84 117.35 120.61 3hr5 s TYR 178 Ca 0.61 -0.45 0.09 0.00 -1.01 0.00 0.00 57.07 56.30 3hr5 s TYR 178 Cb -0.10 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3hr5 s TYR 178 CO 0.44 0.35 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.92 3hr5 s SER 179 N -2.65 2.68 -0.07 2.29 0.01 -1.26 -1.37 113.70 113.34 3hr5 s SER 179 Ca 0.16 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 3hr5 s SER 179 Cb -0.06 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.05 3hr5 s SER 179 CO 0.07 -0.00 0.16 -0.22 0.41 0.00 0.00 173.24 173.66 3hr5 s LEU 180 N -2.46 0.68 -0.04 2.44 2.96 -0.27 0.04 118.68 122.03 3hr5 s LEU 180 Ca 0.13 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3hr5 s LEU 180 Cb -0.07 0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.99 3hr5 s LEU 180 CO 0.06 -0.15 0.00 -0.94 -1.32 0.00 0.00 176.35 174.00 3hr5 s SER 181 N 1.19 5.16 -0.11 3.68 1.04 -0.00 -0.32 113.70 124.33 3hr5 s SER 181 Ca -0.09 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.41 3hr5 s SER 181 Cb -0.11 -1.39 0.02 0.00 0.10 0.00 0.00 66.02 64.63 3hr5 s SER 181 CO -0.06 0.32 -0.14 -0.55 0.98 0.00 0.00 173.24 173.79 3hr5 s SER 182 N -1.27 2.35 -0.20 7.02 0.15 -0.17 -0.87 113.70 120.72 3hr5 s SER 182 Ca 0.17 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 3hr5 s SER 182 Cb -0.11 -1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 3hr5 s SER 182 CO 0.07 -0.00 -0.08 -0.89 1.20 0.00 0.00 173.24 173.54 3hr5 s THR 183 N 1.07 3.19 -0.35 6.45 2.01 -0.51 -0.49 115.64 127.00 3hr5 s THR 183 Ca -0.05 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 3hr5 s THR 183 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 3hr5 s THR 183 CO -0.02 0.46 0.23 -0.22 -0.69 0.00 0.00 174.62 174.37 3hr5 s LEU 184 N 1.21 4.57 -0.24 4.42 2.96 0.36 -0.81 118.68 131.16 3hr5 s LEU 184 Ca 0.02 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3hr5 s LEU 184 Cb -0.14 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3hr5 s LEU 184 CO -0.03 -0.29 0.00 -0.89 -1.32 0.00 0.00 176.35 173.83 3hr5 s THR 185 N 1.67 3.64 0.05 3.68 2.01 -1.02 -0.92 115.64 124.76 3hr5 s THR 185 Ca 0.05 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 3hr5 s THR 185 Cb -0.18 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 3hr5 s THR 185 CO 0.09 0.33 -0.00 -1.48 -0.69 0.00 0.00 174.62 172.86 3hr5 s LEU 186 N 1.50 2.33 0.61 4.42 0.05 -0.67 -4.92 118.68 122.00 3hr5 s LEU 186 Ca 0.05 -0.87 -0.18 0.00 0.05 0.00 0.00 54.13 53.17 3hr5 s LEU 186 Cb -0.15 0.28 -0.05 0.00 -2.05 0.00 0.00 46.19 44.22 3hr5 s LEU 186 CO -0.01 -0.56 0.96 -0.24 -0.55 0.00 0.00 176.35 175.95 3hr5 n SER 187 N 0.35 0.74 -0.27 1.48 2.88 -1.26 -0.84 113.62 116.69 3hr5 n SER 187 Ca -0.16 0.80 0.03 0.00 -1.33 0.00 0.00 58.87 58.21 3hr5 n SER 187 Cb 0.60 -1.39 0.25 0.00 -0.75 0.00 0.00 64.21 62.92 3hr5 n SER 187 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hr5 h LYS 188 N 0.45 0.99 0.02 -1.46 3.64 -1.47 0.47 116.57 119.21 3hr5 h LYS 188 Ca -0.48 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3hr5 h LYS 188 Cb 1.36 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3hr5 h LYS 188 CO 0.51 0.65 -0.01 0.00 -2.27 0.00 0.00 179.45 178.33 3hr5 h ALA 189 N 1.52 -0.03 0.00 5.00 0.00 -1.91 -0.66 119.26 123.17 3hr5 h ALA 189 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hr5 h ALA 189 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hr5 h ALA 189 CO -0.11 -0.47 -0.23 -0.44 0.00 0.00 0.00 179.25 177.99 3hr5 h ASP 190 N -0.12 0.00 -0.01 0.00 3.32 -1.84 -3.09 116.42 114.67 3hr5 h ASP 190 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hr5 h ASP 190 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hr5 h ASP 190 CO 0.01 0.23 -0.04 0.22 -1.72 0.00 0.00 179.24 177.94 3hr5 h TYR 191 N 0.00 0.06 0.00 4.55 3.20 -0.76 -3.31 116.97 120.70 3hr5 h TYR 191 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hr5 h TYR 191 Cb 0.41 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3hr5 h TYR 191 CO 0.00 0.68 0.00 0.39 -1.64 0.00 0.00 178.16 177.59 3hr5 n GLU 192 N -4.74 0.14 0.00 1.82 1.02 -0.27 -2.41 120.64 116.21 3hr5 n GLU 192 Ca -0.09 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 3hr5 n GLU 192 Cb 0.34 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.37 0.05 -4.33 3.49 2.85 -1.19 -4.95 118.16 112.72 3hr5 n LYS 193 Ca 0.06 -0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.07 3hr5 n LYS 193 Cb 0.14 -1.52 -0.09 0.00 -0.65 0.00 0.00 35.03 32.92 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 -3.04 2.55 0.06 5.58 3.76 -1.01 -5.10 115.29 118.09 3hr5 s HIS 194 Ca 0.08 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 3hr5 s HIS 194 Cb 0.16 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 3hr5 s HIS 194 CO 0.78 0.43 -0.02 1.63 -0.85 0.00 0.00 174.74 176.72 3hr5 n LYS 195 N -0.99 0.03 -2.70 1.40 5.02 -1.26 -4.77 118.16 114.88 3hr5 n LYS 195 Ca -0.04 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 3hr5 n LYS 195 Cb 0.63 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 35.07 3hr5 n LYS 195 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hr5 s VAL 196 N -2.04 4.40 -0.22 -0.18 1.01 -1.26 -1.98 120.40 120.14 3hr5 s VAL 196 Ca -0.01 1.23 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3hr5 s VAL 196 Cb 0.00 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3hr5 s VAL 196 CO 0.02 -0.76 -0.10 -0.31 0.00 0.00 0.00 175.10 173.95 3hr5 s TYR 197 N 3.94 2.94 -0.01 5.22 1.51 -0.96 -0.99 117.35 129.00 3hr5 s TYR 197 Ca 0.43 -1.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3hr5 s TYR 197 Cb -0.10 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3hr5 s TYR 197 CO 0.24 -0.69 -0.02 0.00 -1.11 0.00 0.00 175.55 173.98 3hr5 s ALA 198 N 1.37 0.28 -0.16 3.71 0.00 -0.32 -1.93 121.76 124.71 3hr5 s ALA 198 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 3hr5 s ALA 198 Cb -0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3hr5 s ALA 198 CO -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 175.76 175.67 3hr5 s GLU 200 N 0.56 2.80 -0.18 0.00 2.12 0.29 -0.67 118.70 123.60 3hr5 s GLU 200 Ca -0.03 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.50 3hr5 s GLU 200 Cb -0.14 -2.24 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 3hr5 s GLU 200 CO 0.03 0.02 -0.11 0.08 -0.54 0.00 0.00 175.26 174.74 3hr5 s VAL 201 N 0.74 2.94 -0.20 3.70 1.01 0.20 -1.38 120.40 127.41 3hr5 s VAL 201 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3hr5 s VAL 201 Cb -0.16 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3hr5 s VAL 201 CO 0.01 0.48 0.00 -0.89 0.00 0.00 0.00 175.10 174.70 3hr5 s THR 202 N 1.12 3.98 0.06 3.92 2.01 -0.51 -2.17 115.64 124.04 3hr5 s THR 202 Ca 0.01 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 3hr5 s THR 202 Cb -0.14 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3hr5 s THR 202 CO -0.03 0.43 0.27 -2.28 -0.69 0.00 0.00 174.62 172.32 3hr5 s HIS 203 N 0.99 -0.04 0.15 4.92 2.46 -1.26 -1.40 115.29 121.11 3hr5 s HIS 203 Ca 0.02 -0.17 -0.14 0.00 0.47 0.00 0.00 55.06 55.23 3hr5 s HIS 203 Cb -0.14 0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.39 3hr5 s HIS 203 CO 0.02 -0.51 1.70 0.37 -2.47 0.00 0.00 174.74 173.85 3hr5 h GLN 204 N 3.14 0.72 0.00 2.88 4.15 -1.91 -2.15 115.11 121.94 3hr5 h GLN 204 Ca -0.32 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 58.96 3hr5 h GLN 204 Cb 1.20 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3hr5 h GLN 204 CO 0.48 0.65 0.00 0.41 -1.93 0.00 0.00 178.83 178.44 3hr5 n GLY 205 N -0.78 -0.93 3.40 2.39 0.00 -1.26 -4.53 105.19 103.48 3hr5 n GLY 205 Ca 0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3hr5 n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hr5 s LEU 206 N -2.75 5.30 0.38 0.99 2.96 -0.81 -4.59 118.68 120.16 3hr5 s LEU 206 Ca 0.12 -1.16 0.15 0.00 -0.22 0.00 0.00 54.13 53.02 3hr5 s LEU 206 Cb 0.11 -2.14 1.00 0.00 0.50 0.00 0.00 46.19 45.66 3hr5 s LEU 206 CO 0.27 -0.54 1.81 -1.28 -1.32 0.00 0.00 176.35 175.29 3hr5 h SER 207 N 8.64 0.52 -4.48 3.68 0.87 -1.81 -3.42 113.55 117.55 3hr5 h SER 207 Ca -0.27 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 3hr5 h SER 207 Cb 1.11 -0.02 -0.22 0.00 -0.44 0.00 0.00 62.40 62.83 3hr5 h SER 207 CO 0.79 0.17 -0.16 -0.55 -0.53 0.00 0.00 176.83 176.56 3hr5 s SER 208 N -5.48 -0.40 0.22 6.23 0.15 -1.26 -5.13 113.70 108.03 3hr5 s SER 208 Ca -0.09 0.58 -0.32 0.00 0.70 0.00 0.00 55.95 56.82 3hr5 s SER 208 Cb 0.24 0.64 -0.14 0.00 -1.71 0.00 0.00 66.02 65.05 3hr5 s SER 208 CO 0.79 -0.34 1.39 -0.81 1.20 0.00 0.00 173.24 175.48 3hr5 n PRO 209 N 1.94 1.90 -3.20 5.44 -0.04 -1.26 -4.96 135.00 134.82 3hr5 n PRO 209 Ca -0.17 0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 63.57 3hr5 n PRO 209 Cb 0.57 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 3hr5 n PRO 209 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hr5 s VAL 210 N 0.06 5.10 -0.20 0.52 1.01 -0.92 -4.87 120.40 121.08 3hr5 s VAL 210 Ca 0.71 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 3hr5 s VAL 210 Cb -0.69 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3hr5 s VAL 210 CO 0.48 0.21 -0.01 -0.89 0.00 0.00 0.00 175.10 174.90 3hr5 s THR 211 N 1.33 3.89 -0.10 3.92 2.01 -1.26 -0.63 115.64 124.80 3hr5 s THR 211 Ca 0.28 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3hr5 s THR 211 Cb -0.16 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 3hr5 s THR 211 CO 0.11 0.43 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.79 3hr5 s LYS 212 N 1.03 3.07 0.15 4.92 -0.14 0.15 -4.98 119.74 123.94 3hr5 s LYS 212 Ca 0.02 -0.70 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 3hr5 s LYS 212 Cb -0.14 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.46 3hr5 s LYS 212 CO 0.01 0.35 0.23 -1.54 -0.76 0.00 0.00 175.35 173.64 3hr5 s SER 213 N -0.01 0.10 0.12 2.83 1.04 -1.26 -0.65 113.70 115.87 3hr5 s SER 213 Ca -0.04 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 3hr5 s SER 213 Cb -0.14 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3hr5 s SER 213 CO 0.04 -0.84 0.10 0.72 0.98 0.00 0.00 173.24 174.24 3hr5 s PHE 214 N -3.97 0.63 -0.19 5.02 -0.12 -0.81 -5.02 117.98 113.51 3hr5 s PHE 214 Ca 0.17 -1.04 -0.05 0.00 -0.05 0.00 0.00 56.93 55.96 3hr5 s PHE 214 Cb 0.04 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 3hr5 s PHE 214 CO -0.01 -0.54 0.00 -0.80 -0.05 0.00 0.00 175.22 173.83 3hr5 s ASN 215 N -2.99 4.90 0.89 1.98 0.02 -1.26 -2.26 114.94 116.23 3hr5 s ASN 215 Ca 0.18 -0.16 -0.12 0.00 -1.02 0.00 0.00 52.86 51.73 3hr5 s ASN 215 Cb 0.06 -1.83 0.07 0.00 0.02 0.00 0.00 41.25 39.57 3hr5 s ASN 215 CO -0.02 0.09 0.75 -1.14 0.02 0.00 0.00 177.10 176.80 3hr5 n ARG 216 N 4.07 -0.20 0.00 -0.60 0.63 -0.84 -4.95 116.66 114.77 3hr5 n ARG 216 Ca -0.17 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 3hr5 n ARG 216 Cb 0.52 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.34 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 1.02 2.65 0.00 5.14 0.00 -1.26 -4.76 105.19 107.98 3hr5 n GLY 217 Ca 0.10 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 0.89 0.99 0.00 1.61 0.28 -1.26 -5.17 120.64 117.98 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 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.59 3hr5 n GLU 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97