#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1m s SER 4 N 0.00 6.66 0.55 -3.46 0.15 -1.26 -0.99 113.70 115.34 1h1m s SER 4 Ca 0.00 0.78 0.33 0.00 0.70 0.00 0.00 55.95 57.76 1h1m s SER 4 Cb 0.00 -2.26 1.47 0.00 -1.71 0.00 0.00 66.02 63.52 1h1m s SER 4 CO 0.00 0.06 2.03 -0.07 1.20 0.00 0.00 173.24 176.46 1h1m h LEU 5 N 6.44 0.00 -9.43 3.45 3.38 -1.90 -3.46 115.31 113.78 1h1m h LEU 5 Ca -0.42 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.01 1h1m h LEU 5 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1h1m h LEU 5 CO 0.74 0.05 0.39 -0.63 0.09 0.00 0.00 178.44 179.08 1h1m s ILE 6 N -3.80 4.75 0.16 1.22 -1.09 -1.26 -0.89 121.20 120.29 1h1m s ILE 6 Ca -0.00 1.98 0.06 0.00 -2.23 0.00 0.00 60.65 60.46 1h1m s ILE 6 Cb 0.10 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1h1m s ILE 6 CO 0.54 0.16 -0.12 0.68 -1.23 0.00 0.00 174.94 174.97 1h1m s VAL 7 N 0.97 1.36 -0.14 2.92 -7.23 -0.20 -4.90 120.40 113.18 1h1m s VAL 7 Ca 0.53 -2.02 0.21 0.00 -1.81 0.00 0.00 61.98 58.88 1h1m s VAL 7 Cb -0.22 -1.83 -0.17 0.00 0.56 0.00 0.00 36.38 34.72 1h1m s VAL 7 CO 0.28 -0.63 0.72 -0.62 -0.31 0.00 0.00 175.10 174.54 1h1m n GLU 8 N -0.08 0.64 -4.05 4.82 -0.58 -1.26 -4.30 120.64 115.82 1h1m n GLU 8 Ca -0.11 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.53 1h1m n GLU 8 Cb 0.60 -1.69 -0.11 0.00 -0.57 0.00 0.00 31.44 29.67 1h1m n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1h1m s ASP 9 N -5.13 0.72 0.42 1.62 1.11 -1.26 -0.72 116.67 113.43 1h1m s ASP 9 Ca -0.04 -0.61 -0.26 0.00 0.18 0.00 0.00 52.55 51.82 1h1m s ASP 9 Cb 0.11 0.07 -0.08 0.00 1.07 0.00 0.00 42.92 44.08 1h1m s ASP 9 CO 0.84 -0.27 1.30 0.00 1.18 0.00 0.00 175.17 178.22 1h1m s ALA 10 N -1.76 3.22 0.88 5.23 0.00 -1.26 -4.95 121.76 123.13 1h1m s ALA 10 Ca -0.08 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1h1m s ALA 10 Cb -0.08 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.68 1h1m s ALA 10 CO -0.01 -0.86 1.12 -2.14 0.00 0.00 0.00 175.76 173.86 1h1m s PRO 11 N -2.31 1.32 -0.02 0.00 0.02 -1.26 -4.92 135.00 127.82 1h1m s PRO 11 Ca 0.58 1.31 0.11 0.00 0.02 0.00 0.00 61.00 63.02 1h1m s PRO 11 Cb -0.38 -1.78 0.35 0.00 0.02 0.00 0.00 34.50 32.71 1h1m s PRO 11 CO 0.48 -2.34 1.26 -0.40 -0.33 0.00 0.00 177.00 175.67 1h1m n ASP 12 N -4.02 2.29 -3.75 2.53 5.68 -1.26 -3.29 116.55 114.72 1h1m n ASP 12 Ca 0.10 -2.08 -0.08 0.00 -0.50 0.00 0.00 54.79 52.22 1h1m n ASP 12 Cb 0.53 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 1h1m n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1h1m s HIS 13 N -1.56 0.09 -0.09 2.11 -3.43 -1.24 -4.72 115.29 106.44 1h1m s HIS 13 Ca 0.26 -0.54 -0.30 0.00 -0.80 0.00 0.00 55.06 53.69 1h1m s HIS 13 Cb 0.15 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1h1m s HIS 13 CO 0.16 -1.20 1.03 0.08 -2.00 0.00 0.00 174.74 172.81 1h1m s VAL 14 N -3.70 4.71 -0.01 -5.38 1.01 -1.23 -4.39 120.40 111.41 1h1m s VAL 14 Ca 0.16 1.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.84 1h1m s VAL 14 Cb -0.04 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.17 1h1m s VAL 14 CO 0.09 0.01 0.86 0.00 0.00 0.00 0.00 175.10 176.07 1h1m s ARG 15 N 1.97 0.85 0.34 2.72 1.70 -1.26 -5.08 118.95 120.19 1h1m s ARG 15 Ca 0.50 -0.23 -0.29 0.00 -0.47 0.00 0.00 55.73 55.23 1h1m s ARG 15 Cb -0.19 0.39 -0.11 0.00 -0.57 0.00 0.00 34.95 34.46 1h1m s ARG 15 CO 0.19 -0.35 1.53 -2.30 -1.08 0.00 0.00 175.30 173.29 1h1m n PRO 16 N -0.08 2.68 -3.54 3.89 -0.02 -1.26 -4.65 135.00 132.01 1h1m n PRO 16 Ca -0.10 0.95 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1h1m n PRO 16 Cb 0.61 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1h1m n PRO 16 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1h1m s TYR 17 N -0.60 -0.35 -0.04 6.00 1.13 -1.01 -4.89 117.35 117.58 1h1m s TYR 17 Ca 0.58 0.08 0.05 0.00 -1.41 0.00 0.00 57.07 56.37 1h1m s TYR 17 Cb -0.49 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1h1m s TYR 17 CO 0.57 -0.76 -0.19 0.08 -2.51 0.00 0.00 175.55 172.73 1h1m s VAL 18 N -3.77 1.60 -0.08 -3.49 1.01 -0.06 -0.79 120.40 114.81 1h1m s VAL 18 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1h1m s VAL 18 Cb 0.01 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1h1m s VAL 18 CO -0.12 0.45 -0.13 -0.51 0.00 0.00 0.00 175.10 174.79 1h1m s ILE 19 N -0.08 1.27 0.45 2.22 2.07 -0.23 -1.04 121.20 125.86 1h1m s ILE 19 Ca -0.02 -0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 58.48 1h1m s ILE 19 Cb -0.11 -1.16 -0.10 0.00 0.13 0.00 0.00 42.46 41.21 1h1m s ILE 19 CO 0.02 0.39 0.95 -0.13 -1.91 0.00 0.00 174.94 174.26 1h1m s ARG 20 N 0.79 4.16 0.24 3.50 1.81 -1.26 -1.38 118.95 126.80 1h1m s ARG 20 Ca -0.12 1.07 -0.31 0.00 -1.72 0.00 0.00 55.73 54.65 1h1m s ARG 20 Cb -0.16 -2.18 -0.14 0.00 -0.45 0.00 0.00 34.95 32.03 1h1m s ARG 20 CO 0.02 -0.08 1.32 1.58 -0.68 0.00 0.00 175.30 177.46 1h1m n HIS 21 N -0.85 1.92 -1.50 -0.53 -0.00 -1.25 -1.67 115.22 111.34 1h1m n HIS 21 Ca 0.07 0.51 -0.16 0.00 0.46 0.00 0.00 57.72 58.60 1h1m n HIS 21 Cb 0.54 -2.40 -0.07 0.00 -0.12 0.00 0.00 29.99 27.94 1h1m n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1h1m n TYR 22 N 1.58 -0.02 -1.16 1.57 4.01 -1.26 -4.97 117.16 116.90 1h1m n TYR 22 Ca 0.12 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 1h1m n TYR 22 Cb 0.30 -2.86 0.11 0.00 -0.31 0.00 0.00 39.34 36.59 1h1m n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h1m s SER 23 N -2.81 3.96 0.20 7.72 0.01 -0.67 -4.80 113.70 117.31 1h1m s SER 23 Ca 0.00 2.09 -0.18 0.00 1.31 0.00 0.00 55.95 59.17 1h1m s SER 23 Cb 0.00 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.85 1h1m s SER 23 CO 0.00 -2.41 1.59 -0.74 0.41 0.00 0.00 173.24 172.09 1h1m h HIS 24 N -1.06 -0.76 -6.44 2.43 2.76 -1.86 -3.45 115.15 106.76 1h1m h HIS 24 Ca -0.45 0.07 -0.50 0.00 -2.20 0.00 0.00 60.37 57.30 1h1m h HIS 24 Cb 1.26 0.43 -0.08 0.00 1.55 0.00 0.00 27.41 30.57 1h1m h HIS 24 CO 0.52 -0.36 -0.80 0.00 -1.30 0.00 0.00 177.93 175.99 1h1m n ALA 25 N -3.17 -1.41 -3.38 5.26 0.00 0.11 -1.43 120.51 116.49 1h1m n ALA 25 Ca 0.06 0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 1h1m n ALA 25 Cb 0.36 -3.69 0.03 0.00 0.00 0.00 0.00 19.45 16.16 1h1m n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h1m n ARG 26 N -4.54 -5.36 -1.70 0.00 1.74 -1.26 -1.10 116.66 104.44 1h1m n ARG 26 Ca -0.01 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1h1m n ARG 26 Cb 0.54 -5.63 -0.01 0.00 -1.02 0.00 0.00 32.46 26.35 1h1m n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h1m n ALA 27 N -4.07 1.37 -2.30 7.54 0.00 -0.51 -4.76 120.51 117.79 1h1m n ALA 27 Ca -0.04 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1h1m n ALA 27 Cb 0.57 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 1h1m n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h1m s VAL 28 N -1.10 1.03 0.08 0.00 -7.23 -0.99 -1.29 120.40 110.90 1h1m s VAL 28 Ca 0.55 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1h1m s VAL 28 Cb -0.56 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1h1m s VAL 28 CO 0.62 -0.72 -0.08 0.42 -0.31 0.00 0.00 175.10 175.03 1h1m s THR 29 N -3.14 3.50 -0.32 5.32 -4.23 -0.21 -0.50 115.64 116.06 1h1m s THR 29 Ca 0.13 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1h1m s THR 29 Cb 0.02 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.34 1h1m s THR 29 CO -0.01 0.17 0.08 -0.69 -0.54 0.00 0.00 174.62 173.63 1h1m s VAL 30 N -1.18 1.36 0.00 2.29 1.01 0.02 -0.56 120.40 123.33 1h1m s VAL 30 Ca 0.21 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1h1m s VAL 30 Cb -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1h1m s VAL 30 CO 0.13 -0.62 0.00 0.47 0.00 0.00 0.00 175.10 175.08 1h1m n ASP 31 N 4.65 0.00 0.05 3.32 8.00 -1.26 -1.67 116.55 129.64 1h1m n ASP 31 Ca -0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.62 1h1m n ASP 31 Cb 0.42 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.91 1h1m n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h1m n THR 32 N 0.00 0.28 -2.71 -3.53 -2.24 -1.26 -4.86 114.28 99.96 1h1m n THR 32 Ca 0.00 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1h1m n THR 32 Cb 0.00 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1h1m n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h1m s GLN 33 N -3.07 4.72 -0.18 -0.78 -0.21 -0.67 -4.55 119.66 114.92 1h1m s GLN 33 Ca 0.11 1.48 -0.01 0.00 0.02 0.00 0.00 55.36 56.96 1h1m s GLN 33 Cb 0.15 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.81 1h1m s GLN 33 CO 0.62 0.26 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.74 1h1m s LEU 34 N -0.24 2.52 -0.11 2.90 0.20 -0.40 -0.80 118.68 122.76 1h1m s LEU 34 Ca 0.46 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.78 1h1m s LEU 34 Cb -0.24 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1h1m s LEU 34 CO 0.31 0.04 -0.01 -0.31 -0.29 0.00 0.00 176.35 176.10 1h1m s TYR 35 N 1.06 3.13 -0.06 5.38 1.51 0.34 -1.00 117.35 127.70 1h1m s TYR 35 Ca -0.01 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1h1m s TYR 35 Cb -0.15 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1h1m s TYR 35 CO -0.03 0.32 -0.15 1.03 -1.11 0.00 0.00 175.55 175.61 1h1m s ARG 36 N -0.49 1.81 -0.90 -0.62 0.52 0.24 -2.34 118.95 117.18 1h1m s ARG 36 Ca 0.08 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1h1m s ARG 36 Cb -0.12 -1.51 0.23 0.00 0.52 0.00 0.00 34.95 34.06 1h1m s ARG 36 CO 0.02 0.13 0.81 -0.06 0.02 0.00 0.00 175.30 176.22 1h1m s PHE 37 N 0.37 3.89 0.20 -0.53 0.08 -0.26 -0.76 117.98 120.97 1h1m s PHE 37 Ca -0.10 -2.71 -0.03 0.00 0.12 0.00 0.00 56.93 54.21 1h1m s PHE 37 Cb -0.14 -3.50 0.13 0.00 -0.57 0.00 0.00 43.02 38.94 1h1m s PHE 37 CO 0.03 -0.86 1.53 1.88 -0.10 0.00 0.00 175.22 177.70 1h1m h TYR 38 N 6.67 0.71 -3.56 0.36 0.05 -1.34 -3.39 116.97 116.46 1h1m h TYR 38 Ca 0.13 -0.24 -0.49 0.00 0.05 0.00 0.00 58.73 58.18 1h1m h TYR 38 Cb 0.89 -0.14 -0.33 0.00 1.01 0.00 0.00 36.73 38.17 1h1m h TYR 38 CO 0.79 0.96 -0.81 0.08 -1.05 0.00 0.00 178.16 178.13 1h1m s VAL 39 N -4.08 1.01 0.52 -2.88 1.01 -0.57 -4.59 120.40 110.82 1h1m s VAL 39 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1h1m s VAL 39 Cb 0.12 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1h1m s VAL 39 CO 0.84 0.32 0.27 0.42 0.00 0.00 0.00 175.10 176.94 1h1m s THR 40 N 0.53 1.61 0.08 3.92 -4.23 -1.26 -1.10 115.64 115.19 1h1m s THR 40 Ca -0.11 -1.65 -0.35 0.00 -1.18 0.00 0.00 61.69 58.40 1h1m s THR 40 Cb -0.14 -2.27 -0.17 0.00 1.34 0.00 0.00 72.50 71.27 1h1m s THR 40 CO 0.02 0.00 1.54 1.23 -0.54 0.00 0.00 174.62 176.88 1h1m h GLY 41 N 1.00 -1.26 0.49 3.99 0.00 -1.85 -0.98 103.07 104.46 1h1m h GLY 41 Ca -0.40 0.59 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1h1m h GLY 41 CO 0.63 -0.37 0.51 -2.55 0.00 0.00 0.00 176.54 174.76 1h1m h PRO 42 N -0.98 0.81 0.00 4.80 0.11 -1.89 0.32 132.00 135.16 1h1m h PRO 42 Ca -0.06 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 1h1m h PRO 42 Cb 0.86 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1h1m h PRO 42 CO -0.07 0.53 -0.34 0.66 -0.21 0.00 0.00 178.00 178.57 1h1m h SER 43 N 0.83 0.00 -0.46 -2.05 4.64 -1.53 -3.16 113.55 111.82 1h1m h SER 43 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1h1m h SER 43 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1h1m h SER 43 CO -0.26 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 174.50 1h1m n SER 44 N -3.44 3.23 -2.42 4.97 3.41 -0.38 -4.24 113.62 114.75 1h1m n SER 44 Ca 0.00 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.43 1h1m n SER 44 Cb 0.52 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1h1m n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h1m n GLY 45 N 0.87 -0.41 2.46 5.00 0.00 -0.16 -2.66 105.19 110.29 1h1m n GLY 45 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1h1m n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h1m n TYR 46 N -4.19 0.00 -0.01 1.61 4.01 0.96 -4.93 117.16 114.61 1h1m n TYR 46 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.46 1h1m n TYR 46 Cb 0.64 -0.69 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 1h1m n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h1m h ALA 47 N 0.00 0.12 -2.57 -0.72 0.00 -1.76 0.14 119.26 114.48 1h1m h ALA 47 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1h1m h ALA 47 Cb 0.32 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 1h1m h ALA 47 CO 0.00 -0.35 0.37 -0.59 0.00 0.00 0.00 179.25 178.68 1h1m s PHE 48 N -5.91 -0.44 -0.10 0.00 -0.12 -1.26 -3.00 117.98 107.16 1h1m s PHE 48 Ca -0.13 0.29 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1h1m s PHE 48 Cb 0.07 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1h1m s PHE 48 CO 0.68 -0.67 -0.16 0.99 -0.05 0.00 0.00 175.22 176.01 1h1m s THR 49 N -3.31 2.85 -0.22 -4.49 2.01 -0.17 -4.32 115.64 107.99 1h1m s THR 49 Ca 0.03 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1h1m s THR 49 Cb -0.01 -2.15 0.05 0.00 0.01 0.00 0.00 72.50 70.40 1h1m s THR 49 CO -0.10 0.55 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.05 1h1m s LEU 50 N -0.03 2.60 0.13 4.42 0.20 -0.26 -0.93 118.68 124.80 1h1m s LEU 50 Ca -0.04 -1.02 0.08 0.00 0.69 0.00 0.00 54.13 53.84 1h1m s LEU 50 Cb -0.14 -1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 1h1m s LEU 50 CO 0.04 -0.14 -0.19 0.00 -0.29 0.00 0.00 176.35 175.77 1h1m s MET 51 N 1.30 1.15 -0.10 1.98 0.23 -0.38 -0.98 119.30 122.49 1h1m s MET 51 Ca -0.03 -1.25 -0.03 0.00 -1.03 0.00 0.00 55.69 53.35 1h1m s MET 51 Cb -0.17 -1.27 -0.03 0.00 -1.53 0.00 0.00 34.83 31.83 1h1m s MET 51 CO -0.08 0.27 0.01 0.20 -2.03 0.00 0.00 175.02 173.40 1h1m s GLY 52 N -2.26 1.87 -0.14 3.16 0.00 0.06 -0.42 107.32 109.59 1h1m s GLY 52 Ca 0.10 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1h1m s GLY 52 CO 0.05 -0.47 -0.15 -1.59 0.00 0.00 0.00 173.10 170.94 1h1m s THR 53 N -0.71 1.61 -0.05 0.90 2.01 0.21 -0.59 115.64 119.02 1h1m s THR 53 Ca 0.11 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1h1m s THR 53 Cb -0.12 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1h1m s THR 53 CO 0.02 0.47 -0.04 0.20 -0.69 0.00 0.00 174.62 174.58 1h1m s ASN 54 N 1.38 4.90 -0.05 3.53 -0.87 -0.17 -1.04 114.94 122.62 1h1m s ASN 54 Ca 0.03 0.02 -0.29 0.00 -1.57 0.00 0.00 52.86 51.05 1h1m s ASN 54 Cb -0.13 -1.28 0.10 0.00 -0.02 0.00 0.00 41.25 39.92 1h1m s ASN 54 CO -0.09 0.35 0.84 0.00 -2.57 0.00 0.00 177.10 175.62 1h1m s ALA 55 N -0.90 -1.82 0.83 0.60 0.00 -0.95 -1.27 121.76 118.25 1h1m s ALA 55 Ca 0.14 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.23 1h1m s ALA 55 Cb -0.11 -0.00 0.15 0.00 0.00 0.00 0.00 23.12 23.15 1h1m s ALA 55 CO 0.04 -0.49 1.16 -1.25 0.00 0.00 0.00 175.76 175.21 1h1m s PRO 56 N -2.05 1.32 0.38 0.00 0.04 -1.26 -3.07 135.00 130.36 1h1m s PRO 56 Ca -0.02 -0.58 -0.27 0.00 0.04 0.00 0.00 61.00 60.18 1h1m s PRO 56 Cb -0.01 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1h1m s PRO 56 CO -0.01 -1.85 1.37 1.58 0.04 0.00 0.00 177.00 178.13 1h1m n HIS 57 N -3.29 2.55 -4.23 0.56 -0.00 -1.24 -4.74 115.22 104.83 1h1m n HIS 57 Ca 0.13 0.49 -0.17 0.00 -0.00 0.00 0.00 57.72 58.18 1h1m n HIS 57 Cb 0.60 -2.45 -0.13 0.00 -0.00 0.00 0.00 29.99 28.01 1h1m n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1h1m s SER 58 N -0.31 1.20 0.00 0.26 0.15 -0.66 -5.01 113.70 109.33 1h1m s SER 58 Ca 0.56 -0.41 0.20 0.00 0.70 0.00 0.00 55.95 57.01 1h1m s SER 58 Cb -0.51 -0.06 1.02 0.00 -1.71 0.00 0.00 66.02 64.77 1h1m s SER 58 CO 0.61 -0.03 1.68 0.47 1.20 0.00 0.00 173.24 177.17 1h1m n ASP 59 N 1.99 0.60 -4.26 5.45 8.00 -1.26 -4.61 116.55 122.46 1h1m n ASP 59 Ca -0.18 -1.50 -0.18 0.00 0.71 0.00 0.00 54.79 53.63 1h1m n ASP 59 Cb 0.55 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 1h1m n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h1m s ALA 60 N -1.93 1.59 0.65 2.24 0.00 -1.26 -5.09 121.76 117.96 1h1m s ALA 60 Ca 0.31 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1h1m s ALA 60 Cb 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1h1m s ALA 60 CO 0.24 0.10 0.50 1.28 0.00 0.00 0.00 175.76 177.88 1h1m n LEU 61 N 0.38 0.67 -0.10 0.00 4.77 -1.26 -4.61 117.00 116.85 1h1m n LEU 61 Ca -0.14 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1h1m n LEU 61 Cb 0.58 -1.18 0.37 0.00 -2.33 0.00 0.00 43.42 40.85 1h1m n LEU 61 CO 0.28 -3.14 0.62 0.61 -1.33 0.00 0.00 177.39 174.43 1h1m n GLY 62 N 1.75 -1.02 3.58 -0.72 0.00 0.11 -1.47 105.19 107.42 1h1m n GLY 62 Ca 0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1h1m n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h1m s VAL 63 N -2.76 0.00 0.43 1.61 0.11 -1.25 -4.43 120.40 114.11 1h1m s VAL 63 Ca 0.18 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 1h1m s VAL 63 Cb 0.19 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.94 1h1m s VAL 63 CO 0.59 0.00 1.00 -0.76 -3.33 0.00 0.00 175.10 172.60 1h1m s LEU 64 N -1.66 4.01 0.31 2.54 1.43 -1.26 -4.56 118.68 119.49 1h1m s LEU 64 Ca 0.04 1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 1h1m s LEU 64 Cb -0.01 -4.40 -0.12 0.00 0.03 0.00 0.00 46.19 41.69 1h1m s LEU 64 CO -0.04 -0.47 1.43 -2.65 0.23 0.00 0.00 176.35 174.85 1h1m n PRO 65 N -0.45 2.32 -3.94 1.29 -0.02 -1.26 -4.86 135.00 128.09 1h1m n PRO 65 Ca 0.07 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1h1m n PRO 65 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1h1m n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1h1m s HIS 66 N -0.54 0.24 0.07 6.00 -3.43 -0.86 -1.37 115.29 115.41 1h1m s HIS 66 Ca 0.61 -0.67 0.05 0.00 -0.80 0.00 0.00 55.06 54.25 1h1m s HIS 66 Cb -0.56 0.41 -0.03 0.00 -1.43 0.00 0.00 32.58 30.97 1h1m s HIS 66 CO 0.56 -1.17 -0.13 0.42 -2.00 0.00 0.00 174.74 172.41 1h1m s ILE 67 N -3.62 1.06 -0.11 -5.38 1.01 -0.42 -1.16 121.20 112.58 1h1m s ILE 67 Ca 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1h1m s ILE 67 Cb -0.03 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1h1m s ILE 67 CO 0.10 -0.28 -0.10 -1.00 0.00 0.00 0.00 174.94 173.66 1h1m s HIS 68 N -1.43 2.86 -0.25 3.97 3.76 -1.26 -1.05 115.29 121.89 1h1m s HIS 68 Ca -0.01 -0.35 0.22 0.00 -0.15 0.00 0.00 55.06 54.77 1h1m s HIS 68 Cb -0.09 -1.80 0.03 0.00 1.11 0.00 0.00 32.58 31.82 1h1m s HIS 68 CO 0.02 0.01 1.09 1.96 -0.85 0.00 0.00 174.74 176.97 1h1m h GLN 69 N 6.16 0.00 0.00 1.40 4.20 -1.95 0.31 115.11 125.22 1h1m h GLN 69 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1h1m h GLN 69 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1h1m h GLN 69 CO 0.55 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.35 1h1m n LYS 70 N -2.72 -0.36 -4.88 1.46 5.02 -1.26 -4.68 118.16 110.73 1h1m n LYS 70 Ca 0.00 -0.39 -0.27 0.00 -2.02 0.00 0.00 58.31 55.63 1h1m n LYS 70 Cb 0.55 -0.81 -0.15 0.00 -0.02 0.00 0.00 35.03 34.60 1h1m n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1h1m s HIS 71 N -0.06 1.92 -0.22 2.13 3.76 -1.26 -4.37 115.29 117.18 1h1m s HIS 71 Ca 0.00 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 1h1m s HIS 71 Cb 0.00 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 1h1m s HIS 71 CO 0.00 0.03 0.14 -0.47 -0.85 0.00 0.00 174.74 173.60 1h1m s TYR 72 N -0.65 3.35 -0.12 1.40 6.14 0.99 -3.89 117.35 124.57 1h1m s TYR 72 Ca 0.08 0.26 -0.04 0.00 0.64 0.00 0.00 57.07 58.02 1h1m s TYR 72 Cb -0.09 -2.22 -0.03 0.00 0.42 0.00 0.00 41.96 40.04 1h1m s TYR 72 CO 0.00 0.16 0.02 -2.00 0.64 0.00 0.00 175.55 174.38 1h1m s GLU 73 N 0.74 3.39 -0.10 4.97 2.12 -0.11 -1.50 118.70 128.21 1h1m s GLU 73 Ca 0.08 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1h1m s GLU 73 Cb -0.12 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.33 1h1m s GLU 73 CO 0.02 0.53 -0.17 -0.80 -0.54 0.00 0.00 175.26 174.29 1h1m s ASN 74 N -0.38 2.49 -0.23 -1.70 0.01 -0.25 -0.79 114.94 114.10 1h1m s ASN 74 Ca 0.08 -0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 51.73 1h1m s ASN 74 Cb -0.12 -1.13 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 1h1m s ASN 74 CO 0.02 0.05 0.02 -0.36 -1.51 0.00 0.00 177.10 175.32 1h1m s PHE 75 N 0.80 3.03 -0.08 2.20 0.40 0.45 -1.64 117.98 123.14 1h1m s PHE 75 Ca -0.10 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1h1m s PHE 75 Cb -0.16 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.21 1h1m s PHE 75 CO 0.01 -0.42 -0.18 -0.47 0.70 0.00 0.00 175.22 174.86 1h1m s TYR 76 N 1.50 1.98 -0.45 0.36 5.04 -0.08 -0.20 117.35 125.49 1h1m s TYR 76 Ca 0.06 -0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 53.70 1h1m s TYR 76 Cb -0.15 -1.37 0.03 0.00 0.35 0.00 0.00 41.96 40.82 1h1m s TYR 76 CO 0.01 -0.35 0.65 0.00 -1.34 0.00 0.00 175.55 174.52 1h1m h ASN 78 N 8.90 0.62 -5.01 0.00 -1.24 -1.32 0.30 115.58 117.83 1h1m h ASN 78 Ca -0.26 -0.59 0.05 0.00 0.71 0.00 0.00 56.30 56.21 1h1m h ASN 78 Cb 1.09 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.90 1h1m h ASN 78 CO 0.90 1.10 0.20 -1.59 -1.29 0.00 0.00 177.43 176.76 1h1m s LYS 79 N -3.89 1.68 4.61 6.67 -2.85 -1.15 -4.41 119.74 120.39 1h1m s LYS 79 Ca -0.13 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1h1m s LYS 79 Cb 0.06 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1h1m s LYS 79 CO 0.82 -0.76 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1h1m n GLY 80 N -0.44 1.33 3.54 0.59 0.00 -1.19 -1.08 105.19 107.94 1h1m n GLY 80 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1h1m n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h1m s SER 81 N -4.00 -0.44 -0.05 1.61 1.04 -1.26 -3.50 113.70 107.10 1h1m s SER 81 Ca 0.00 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 1h1m s SER 81 Cb 0.00 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1h1m s SER 81 CO 0.00 -0.50 0.42 0.72 0.98 0.00 0.00 173.24 174.86 1h1m s PHE 82 N -1.80 -0.35 0.03 5.02 -0.12 -0.63 -0.79 117.98 119.34 1h1m s PHE 82 Ca -0.02 0.64 -0.21 0.00 -0.05 0.00 0.00 56.93 57.30 1h1m s PHE 82 Cb -0.01 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.50 1h1m s PHE 82 CO -0.00 -0.40 0.62 -1.14 -0.05 0.00 0.00 175.22 174.25 1h1m s GLN 83 N -0.97 4.33 -0.07 1.99 0.74 0.75 0.09 119.66 126.52 1h1m s GLN 83 Ca -0.10 0.81 0.05 0.00 0.05 0.00 0.00 55.36 56.17 1h1m s GLN 83 Cb -0.04 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1h1m s GLN 83 CO 0.05 0.44 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.81 1h1m s LEU 84 N -0.46 2.10 0.05 3.68 2.96 0.31 -0.79 118.68 126.53 1h1m s LEU 84 Ca 0.32 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1h1m s LEU 84 Cb -0.19 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1h1m s LEU 84 CO 0.19 0.23 -0.12 0.26 -1.32 0.00 0.00 176.35 175.59 1h1m s TRP 85 N -0.05 2.72 -0.21 5.38 0.51 -0.50 -1.51 118.94 125.29 1h1m s TRP 85 Ca -0.07 -0.15 -0.16 0.00 -2.12 0.00 0.00 56.10 53.59 1h1m s TRP 85 Cb -0.15 -1.50 0.06 0.00 -0.81 0.00 0.00 33.47 31.07 1h1m s TRP 85 CO 0.05 0.34 0.54 0.00 -0.51 0.00 0.00 176.95 177.37 1h1m s ALA 86 N -1.03 -1.37 -0.05 0.98 0.00 -0.02 -2.46 121.76 117.80 1h1m s ALA 86 Ca 0.17 1.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 1h1m s ALA 86 Cb -0.11 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1h1m s ALA 86 CO 0.08 -0.28 0.10 -1.14 0.00 0.00 0.00 175.76 174.52 1h1m s GLN 87 N 0.74 0.04 -0.30 0.00 0.74 0.23 -1.22 119.66 119.89 1h1m s GLN 87 Ca -0.04 0.29 -0.11 0.00 0.05 0.00 0.00 55.36 55.55 1h1m s GLN 87 Cb -0.05 -0.20 -0.03 0.00 1.10 0.00 0.00 33.01 33.83 1h1m s GLN 87 CO -0.05 -0.16 0.20 0.45 -0.55 0.00 0.00 175.29 175.17 1h1m s SER 88 N 1.10 5.95 1.58 6.67 0.15 -1.26 -0.91 113.70 126.97 1h1m s SER 88 Ca -0.09 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1h1m s SER 88 Cb -0.12 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1h1m s SER 88 CO -0.05 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1h1m n GLY 89 N 5.06 3.76 1.14 9.45 0.00 -1.26 -1.25 105.19 122.09 1h1m n GLY 89 Ca -0.14 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1h1m n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h1m n ASN 90 N 6.42 3.91 -4.79 1.61 0.23 -1.26 -4.98 115.26 116.40 1h1m n ASN 90 Ca 0.00 -2.31 -0.31 0.00 -0.53 0.00 0.00 54.58 51.44 1h1m n ASN 90 Cb 0.00 -0.45 0.08 0.00 -2.08 0.00 0.00 39.78 37.33 1h1m n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1h1m s GLU 91 N -1.56 2.49 0.26 -3.83 2.02 -0.38 -4.91 118.70 112.79 1h1m s GLU 91 Ca 0.41 1.04 -0.31 0.00 0.02 0.00 0.00 54.97 56.12 1h1m s GLU 91 Cb 0.25 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 32.43 1h1m s GLU 91 CO 0.21 -1.44 1.58 2.41 0.02 0.00 0.00 175.26 178.04 1h1m n THR 92 N -3.37 0.81 -2.15 3.63 -1.04 -1.26 -4.63 114.28 106.27 1h1m n THR 92 Ca 0.08 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 1h1m n THR 92 Cb 0.53 -1.86 -0.02 0.00 -1.82 0.00 0.00 70.33 67.16 1h1m n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1h1m s GLN 93 N -0.17 4.37 0.03 -2.82 0.74 -1.26 -4.80 119.66 115.75 1h1m s GLN 93 Ca 0.67 2.17 0.08 0.00 0.05 0.00 0.00 55.36 58.33 1h1m s GLN 93 Cb -0.53 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1h1m s GLN 93 CO 0.46 -0.19 -0.21 -0.65 -0.55 0.00 0.00 175.29 174.15 1h1m s GLN 94 N -1.41 2.01 0.00 1.67 -1.52 -0.35 -4.28 119.66 115.78 1h1m s GLN 94 Ca 0.51 -1.00 -0.02 0.00 -1.95 0.00 0.00 55.36 52.90 1h1m s GLN 94 Cb -0.39 -2.12 -0.01 0.00 -0.22 0.00 0.00 33.01 30.27 1h1m s GLN 94 CO 0.49 0.54 0.02 -0.08 -0.25 0.00 0.00 175.29 176.01 1h1m s THR 95 N -0.85 0.06 0.03 -0.19 -1.32 -0.39 -0.84 115.64 112.14 1h1m s THR 95 Ca 0.13 -0.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1h1m s THR 95 Cb -0.10 -0.21 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 1h1m s THR 95 CO 0.03 -0.28 -0.05 -0.13 -2.21 0.00 0.00 174.62 171.98 1h1m s ARG 96 N -0.86 0.42 -0.32 7.08 1.81 -0.57 -2.19 118.95 124.32 1h1m s ARG 96 Ca -0.09 -0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 53.08 1h1m s ARG 96 Cb -0.06 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.37 1h1m s ARG 96 CO -0.00 -0.02 0.24 0.08 -0.68 0.00 0.00 175.30 174.92 1h1m s VAL 97 N -1.61 5.28 -0.10 3.52 1.01 0.01 -0.53 120.40 127.98 1h1m s VAL 97 Ca -0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1h1m s VAL 97 Cb -0.09 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1h1m s VAL 97 CO -0.01 0.07 0.42 -0.76 0.00 0.00 0.00 175.10 174.82 1h1m s LEU 98 N 1.77 4.31 0.00 3.92 1.02 0.11 -4.91 118.68 124.91 1h1m s LEU 98 Ca 0.07 0.78 0.01 0.00 0.02 0.00 0.00 54.13 55.00 1h1m s LEU 98 Cb -0.17 -2.60 0.01 0.00 0.02 0.00 0.00 46.19 43.45 1h1m s LEU 98 CO 0.11 0.09 0.06 -1.54 0.02 0.00 0.00 176.35 175.09 1h1m n SER 99 N 3.25 2.27 -4.65 2.29 3.41 -1.26 -1.61 113.62 117.32 1h1m n SER 99 Ca -0.10 -1.86 -0.52 0.00 -0.26 0.00 0.00 58.87 56.14 1h1m n SER 99 Cb 0.52 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1h1m n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1h1m n SER 100 N -1.41 2.38 0.00 4.04 7.64 -1.23 -1.12 113.62 123.92 1h1m n SER 100 Ca -0.06 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1h1m n SER 100 Cb 0.26 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1h1m n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h1m n GLY 101 N 3.38 1.34 3.88 0.23 0.00 0.11 -4.74 105.19 109.39 1h1m n GLY 101 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1h1m n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h1m s ASP 102 N -3.03 6.34 -0.01 1.61 1.01 -0.27 -3.82 116.67 118.49 1h1m s ASP 102 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.44 1h1m s ASP 102 Cb 0.00 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.59 1h1m s ASP 102 CO 0.00 -0.63 -0.00 -0.47 0.21 0.00 0.00 175.17 174.28 1h1m s TYR 103 N -2.78 0.16 -0.09 4.23 5.04 0.15 -1.88 117.35 122.18 1h1m s TYR 103 Ca 0.52 0.01 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 1h1m s TYR 103 Cb -0.10 -0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.01 1h1m s TYR 103 CO 0.43 -0.05 -0.19 0.20 -1.34 0.00 0.00 175.55 174.61 1h1m s GLY 104 N 0.43 1.11 -0.17 8.97 0.00 0.72 -0.85 107.32 117.53 1h1m s GLY 104 Ca -0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 1h1m s GLY 104 CO -0.01 -0.06 0.04 -0.45 0.00 0.00 0.00 173.10 172.62 1h1m s SER 105 N 0.59 5.47 -0.50 1.64 0.15 0.42 -0.41 113.70 121.07 1h1m s SER 105 Ca -0.15 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1h1m s SER 105 Cb -0.17 -1.91 0.15 0.00 -1.71 0.00 0.00 66.02 62.38 1h1m s SER 105 CO 0.05 0.19 0.32 -0.69 1.20 0.00 0.00 173.24 174.30 1h1m s VAL 106 N 0.29 1.58 1.10 4.45 1.01 0.03 -2.74 120.40 126.12 1h1m s VAL 106 Ca 0.02 -2.99 -0.15 0.00 0.00 0.00 0.00 61.98 58.86 1h1m s VAL 106 Cb -0.13 -2.08 0.18 0.00 0.00 0.00 0.00 36.38 34.35 1h1m s VAL 106 CO 0.01 -0.98 0.57 -2.65 0.00 0.00 0.00 175.10 172.05 1h1m n PRO 107 N 3.03 -1.69 -1.62 2.72 -0.02 -1.26 -0.93 135.00 135.22 1h1m n PRO 107 Ca 0.15 -0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 60.77 1h1m n PRO 107 Cb 0.37 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1h1m n PRO 107 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h1m n ARG 108 N -3.41 1.27 -2.77 -0.52 1.74 -1.25 -3.07 116.66 108.65 1h1m n ARG 108 Ca 0.03 0.46 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1h1m n ARG 108 Cb 0.57 -2.13 0.02 0.00 -1.02 0.00 0.00 32.46 29.90 1h1m n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1h1m n ASN 109 N 0.03 -4.68 -4.13 0.55 3.02 0.11 -4.86 115.26 105.29 1h1m n ASN 109 Ca 0.10 -0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 1h1m n ASN 109 Cb 0.42 -3.55 -0.16 0.00 -0.61 0.00 0.00 39.78 35.88 1h1m n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h1m s VAL 110 N -2.97 2.04 0.27 2.41 1.01 -1.17 -4.53 120.40 117.45 1h1m s VAL 110 Ca 0.20 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1h1m s VAL 110 Cb -0.09 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1h1m s VAL 110 CO 0.25 0.54 1.26 -0.89 0.00 0.00 0.00 175.10 176.26 1h1m s THR 111 N 1.13 3.08 0.14 3.92 2.01 -0.09 -4.52 115.64 121.32 1h1m s THR 111 Ca 0.01 1.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.82 1h1m s THR 111 Cb -0.14 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1h1m s THR 111 CO -0.09 0.20 0.47 -1.38 -0.69 0.00 0.00 174.62 173.13 1h1m s HIS 112 N -0.63 -0.31 0.28 4.92 -3.43 -0.31 -0.60 115.29 115.20 1h1m s HIS 112 Ca 0.51 0.02 -0.19 0.00 -0.80 0.00 0.00 55.06 54.60 1h1m s HIS 112 Cb -0.37 0.36 0.02 0.00 -1.43 0.00 0.00 32.58 31.16 1h1m s HIS 112 CO 0.44 -0.76 0.67 -0.08 -2.00 0.00 0.00 174.74 173.01 1h1m s THR 113 N -3.79 0.00 0.17 -5.38 -1.32 -1.03 -2.02 115.64 102.27 1h1m s THR 113 Ca 0.03 -1.09 -0.03 0.00 -1.21 0.00 0.00 61.69 59.39 1h1m s THR 113 Cb 0.01 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 1h1m s THR 113 CO -0.12 0.00 0.15 0.72 -2.21 0.00 0.00 174.62 173.16 1h1m s PHE 114 N -3.90 0.89 -0.07 9.09 -0.12 -1.26 -1.41 117.98 121.20 1h1m s PHE 114 Ca 0.14 -1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 55.78 1h1m s PHE 114 Cb -0.05 -0.41 0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1h1m s PHE 114 CO 0.08 -0.63 0.16 -1.14 -0.05 0.00 0.00 175.22 173.63 1h1m s GLN 115 N -4.08 0.14 -0.12 1.99 0.74 0.03 0.04 119.66 118.40 1h1m s GLN 115 Ca 0.29 0.33 -0.26 0.00 0.05 0.00 0.00 55.36 55.78 1h1m s GLN 115 Cb 0.06 -0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 1h1m s GLN 115 CO 0.06 -0.11 0.83 0.42 -0.55 0.00 0.00 175.29 175.95 1h1m s ILE 116 N 0.76 4.91 -0.21 -2.34 -1.09 -1.26 -0.18 121.20 121.79 1h1m s ILE 116 Ca -0.06 1.67 -0.16 0.00 -2.23 0.00 0.00 60.65 59.87 1h1m s ILE 116 Cb -0.07 -4.15 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 1h1m s ILE 116 CO -0.04 0.09 -0.33 1.67 -1.23 0.00 0.00 174.94 175.11 1h1m n GLN 117 N 4.71 0.54 -3.76 2.79 7.27 0.03 -1.66 117.38 127.31 1h1m n GLN 117 Ca 0.04 0.26 -0.25 0.00 0.07 0.00 0.00 57.00 57.11 1h1m n GLN 117 Cb 0.50 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.65 1h1m n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h1m s ASP 118 N -6.36 6.34 0.38 1.69 1.01 -1.13 -4.37 116.67 114.23 1h1m s ASP 118 Ca -0.31 0.28 0.08 0.00 0.71 0.00 0.00 52.55 53.31 1h1m s ASP 118 Cb 0.07 -1.96 0.81 0.00 1.01 0.00 0.00 42.92 42.86 1h1m s ASP 118 CO 0.44 -0.08 1.97 -0.65 0.21 0.00 0.00 175.17 177.06 1h1m h PRO 119 N 1.57 0.65 -2.32 8.23 0.11 -1.90 -3.17 132.00 135.17 1h1m h PRO 119 Ca -0.49 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 64.91 1h1m h PRO 119 Cb 1.21 -0.15 -0.37 0.00 0.11 0.00 0.00 31.00 31.80 1h1m h PRO 119 CO 0.65 0.43 -0.06 -3.47 -0.21 0.00 0.00 178.00 175.33 1h1m n ASP 120 N -4.48 5.30 -4.82 -2.05 2.03 -1.26 -4.13 116.55 107.14 1h1m n ASP 120 Ca 0.10 -3.62 -0.38 0.00 0.52 0.00 0.00 54.79 51.41 1h1m n ASP 120 Cb 0.25 -0.80 -0.06 0.00 -0.72 0.00 0.00 41.12 39.78 1h1m n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1h1m s THR 121 N -3.95 5.14 -0.05 5.18 2.01 -1.18 -3.20 115.64 119.60 1h1m s THR 121 Ca 0.43 0.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.17 1h1m s THR 121 Cb 0.21 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1h1m s THR 121 CO -0.09 0.53 0.00 -0.70 -0.69 0.00 0.00 174.62 173.67 1h1m s GLU 122 N -0.70 0.45 -0.15 4.92 2.12 -0.24 -2.24 118.70 122.86 1h1m s GLU 122 Ca 0.22 0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.59 1h1m s GLU 122 Cb -0.15 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.47 1h1m s GLU 122 CO 0.11 -0.22 0.07 -1.64 -0.54 0.00 0.00 175.26 173.04 1h1m s MET 123 N 1.52 3.67 -0.23 4.30 -1.94 -0.20 -0.84 119.30 125.57 1h1m s MET 123 Ca -0.02 -0.31 -0.07 0.00 -1.71 0.00 0.00 55.69 53.58 1h1m s MET 123 Cb -0.13 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1h1m s MET 123 CO -0.03 0.47 0.06 0.99 -0.01 0.00 0.00 175.02 176.50 1h1m s THR 124 N -0.19 4.28 -0.16 2.05 2.01 0.11 -0.62 115.64 123.13 1h1m s THR 124 Ca 0.08 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 1h1m s THR 124 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1h1m s THR 124 CO 0.01 0.37 0.05 -0.83 -0.69 0.00 0.00 174.62 173.53 1h1m s GLY 125 N 1.40 1.90 -0.19 4.40 0.00 0.44 -0.90 107.32 114.37 1h1m s GLY 125 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1h1m s GLY 125 CO 0.03 -0.09 -0.18 0.14 0.00 0.00 0.00 173.10 173.01 1h1m s VAL 126 N 0.06 2.04 -0.07 1.40 1.01 -0.65 -1.25 120.40 122.93 1h1m s VAL 126 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1h1m s VAL 126 Cb -0.12 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1h1m s VAL 126 CO 0.01 0.42 -0.21 -0.63 0.00 0.00 0.00 175.10 174.69 1h1m s ILE 127 N 1.27 1.75 -0.07 2.22 1.01 -0.11 -1.09 121.20 126.19 1h1m s ILE 127 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1h1m s ILE 127 Cb -0.14 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1h1m s ILE 127 CO -0.11 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.48 1h1m s VAL 128 N 0.23 1.32 1.08 2.92 1.01 -0.56 -1.00 120.40 125.40 1h1m s VAL 128 Ca -0.12 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1h1m s VAL 128 Cb -0.15 -1.18 0.26 0.00 0.00 0.00 0.00 36.38 35.31 1h1m s VAL 128 CO 0.05 0.39 1.23 -0.81 0.00 0.00 0.00 175.10 175.97 1h1m n PRO 129 N 3.65 -2.04 -2.02 2.72 -0.04 -1.26 -0.01 135.00 136.00 1h1m n PRO 129 Ca -0.21 -1.92 -0.28 0.00 -0.04 0.00 0.00 63.50 61.04 1h1m n PRO 129 Cb 0.52 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1h1m n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1h1m s GLY 130 N -5.31 1.62 0.00 0.55 0.00 0.48 -4.34 107.32 100.33 1h1m s GLY 130 Ca 0.73 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1h1m s GLY 130 CO 0.53 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1h1m n GLY 131 N -3.12 0.46 0.35 0.20 0.00 -1.26 -4.73 105.19 97.08 1h1m n GLY 131 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.27 1h1m n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1h1m h PHE 132 N 0.00 0.00 0.00 1.61 3.57 -1.93 -2.68 116.94 117.51 1h1m h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h1m h PHE 132 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1h1m h PHE 132 CO 0.00 0.00 0.07 1.05 -2.23 0.00 0.00 178.31 177.20 1h1m h GLU 133 N 0.00 0.00 -0.69 1.11 9.09 -1.95 -2.08 114.58 120.07 1h1m h GLU 133 Ca 0.15 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.73 1h1m h GLU 133 Cb 0.68 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.74 1h1m h GLU 133 CO -0.00 0.00 0.47 -0.44 0.05 0.00 0.00 179.01 179.09 1h1m h ASP 134 N 0.00 0.22 -0.52 3.06 3.32 -1.91 -0.34 116.42 120.25 1h1m h ASP 134 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.15 1h1m h ASP 134 Cb 0.13 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 1h1m h ASP 134 CO 0.00 0.11 0.15 0.25 -1.72 0.00 0.00 179.24 178.03 1h1m h LEU 135 N 0.23 0.09 -0.33 1.55 5.85 -1.65 -2.64 115.31 118.41 1h1m h LEU 135 Ca 0.34 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 59.00 1h1m h LEU 135 Cb 0.99 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1h1m h LEU 135 CO -0.07 0.08 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.18 1h1m h PHE 136 N 0.30 0.00 -0.73 1.25 0.04 -1.29 -0.08 116.94 116.42 1h1m h PHE 136 Ca 0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1h1m h PHE 136 Cb 0.32 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1h1m h PHE 136 CO -0.20 0.66 0.41 1.88 -0.60 0.00 0.00 178.31 180.47 1h1m h TYR 137 N 0.00 0.98 0.40 -0.55 0.05 -1.19 0.41 116.97 117.08 1h1m h TYR 137 Ca -0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1h1m h TYR 137 Cb 1.36 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1h1m h TYR 137 CO 0.00 0.68 -0.19 -0.92 -1.05 0.00 0.00 178.16 176.67 1h1m h TYR 138 N 1.02 -0.50 -0.16 4.88 3.20 -1.10 -3.35 116.97 120.95 1h1m h TYR 138 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1h1m h TYR 138 Cb 0.01 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1h1m h TYR 138 CO 0.01 -0.21 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.03 1h1m h LEU 139 N -1.05 0.28-10.35 2.82 3.38 -0.94 -3.46 115.31 105.99 1h1m h LEU 139 Ca -0.06 -0.08 -0.46 0.00 0.09 0.00 0.00 57.88 57.37 1h1m h LEU 139 Cb 0.52 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.22 1h1m h LEU 139 CO 0.09 0.52 -0.09 -0.83 0.09 0.00 0.00 178.44 178.22 1h1m s GLY 140 N -4.08 1.55 -0.18 0.83 0.00 0.14 -4.84 107.32 100.74 1h1m s GLY 140 Ca -0.05 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 1h1m s GLY 140 CO 0.75 -0.86 -0.02 -1.59 0.00 0.00 0.00 173.10 171.38 1h1m s THR 141 N -2.55 3.87 0.36 0.90 2.01 0.27 -4.84 115.64 115.67 1h1m s THR 141 Ca 0.48 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 1h1m s THR 141 Cb -0.10 -2.73 -0.12 0.00 0.01 0.00 0.00 72.50 69.56 1h1m s THR 141 CO 0.38 0.45 1.03 0.59 -0.69 0.00 0.00 174.62 176.39 1h1m n ASN 142 N 4.02 1.42 -4.12 3.53 3.02 -1.26 -1.04 115.26 120.83 1h1m n ASN 142 Ca -0.17 1.11 -0.31 0.00 -0.03 0.00 0.00 54.58 55.17 1h1m n ASN 142 Cb 0.52 -1.34 -0.16 0.00 -0.61 0.00 0.00 39.78 38.18 1h1m n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h1m s ALA 143 N -1.18 2.05 0.11 5.41 0.00 -0.42 -4.79 121.76 122.95 1h1m s ALA 143 Ca 0.60 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1h1m s ALA 143 Cb -0.61 -0.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 1h1m s ALA 143 CO 0.59 -0.11 1.45 1.15 0.00 0.00 0.00 175.76 178.83 1h1m h THR 144 N 5.90 1.29 -6.35 0.00 2.02 -1.93 -3.42 112.91 110.43 1h1m h THR 144 Ca -0.34 -1.43 -0.37 0.00 0.77 0.00 0.00 66.41 65.04 1h1m h THR 144 Cb 1.18 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1h1m h THR 144 CO 0.54 0.46 -0.83 -0.67 0.37 0.00 0.00 175.52 175.39 1h1m n ASP 145 N -4.24 -3.55 -0.35 4.18 2.03 -1.26 -4.81 116.55 108.55 1h1m n ASP 145 Ca -0.03 -0.74 0.10 0.00 0.52 0.00 0.00 54.79 54.64 1h1m n ASP 145 Cb 0.47 -1.18 0.28 0.00 -0.72 0.00 0.00 41.12 39.96 1h1m n ASP 145 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1h1m h THR 146 N -0.00 0.78 -0.00 5.18 2.02 -1.99 -1.79 112.91 117.12 1h1m h THR 146 Ca -0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1h1m h THR 146 Cb 1.05 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1h1m h THR 146 CO 0.28 0.15 -0.24 0.35 0.37 0.00 0.00 175.52 176.43 1h1m n THR 147 N -4.73 0.00 -2.02 3.16 -2.24 -1.26 -4.92 114.28 102.27 1h1m n THR 147 Ca 0.21 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1h1m n THR 147 Cb 0.48 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1h1m n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1h1m n HIS 148 N -1.19 -0.47 -1.74 4.78 -0.00 -0.67 -4.96 115.22 110.96 1h1m n HIS 148 Ca 0.10 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 1h1m n HIS 148 Cb 0.32 -2.85 0.03 0.00 -0.00 0.00 0.00 29.99 27.49 1h1m n HIS 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1h1m n THR 149 N -3.61 3.21 -0.22 1.59 5.66 -1.26 -4.88 114.28 114.77 1h1m n THR 149 Ca -0.16 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.35 1h1m n THR 149 Cb 0.58 -1.69 0.12 0.00 -1.55 0.00 0.00 70.33 67.79 1h1m n THR 149 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1h1m h PRO 150 N 1.83 0.47 -3.98 1.09 0.11 -1.95 -3.43 132.00 126.14 1h1m h PRO 150 Ca -0.50 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1h1m h PRO 150 Cb 1.29 -0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1h1m h PRO 150 CO 0.59 0.31 -0.38 1.52 -0.21 0.00 0.00 178.00 179.83 1h1m s TYR 151 N -6.08 0.48 -0.22 0.65 -0.85 -1.26 -4.64 117.35 105.44 1h1m s TYR 151 Ca -0.13 -0.85 -0.29 0.00 -0.52 0.00 0.00 57.07 55.29 1h1m s TYR 151 Cb 0.17 -0.13 -0.00 0.00 0.38 0.00 0.00 41.96 42.38 1h1m s TYR 151 CO 0.75 -0.69 1.17 0.42 -1.52 0.00 0.00 175.55 175.68 1h1m s ILE 152 N -3.98 4.43 0.29 -3.49 -1.09 -1.26 -4.98 121.20 111.12 1h1m s ILE 152 Ca 0.19 1.71 -0.30 0.00 -2.23 0.00 0.00 60.65 60.02 1h1m s ILE 152 Cb 0.04 -4.16 -0.11 0.00 -1.58 0.00 0.00 42.46 36.65 1h1m s ILE 152 CO 0.00 -0.21 1.50 -2.16 -1.23 0.00 0.00 174.94 172.84 1h1m s PRO 153 N 3.47 4.19 0.00 2.79 0.04 -1.26 -5.03 135.00 139.21 1h1m s PRO 153 Ca 0.50 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1h1m s PRO 153 Cb -0.18 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1h1m s PRO 153 CO 0.12 -0.50 0.00 0.43 0.04 0.00 0.00 177.00 177.09 1h1m n SER 154 N 1.89 0.00 -2.86 6.66 7.64 -1.26 -5.22 113.62 120.47 1h1m n SER 154 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 1h1m n SER 154 Cb 0.39 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.63 1h1m n SER 154 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1h1m n SER 159 N 0.00 -0.21 -4.81 6.43 7.64 -1.26 -5.18 113.62 116.23 1h1m n SER 159 Ca 0.00 -2.99 -0.33 0.00 1.01 0.00 0.00 58.87 56.55 1h1m n SER 159 Cb 0.00 0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1h1m n SER 159 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1h1m s SER 160 N -2.13 6.44 0.22 6.43 0.01 -1.26 -4.77 113.70 118.64 1h1m s SER 160 Ca 0.29 1.83 -0.30 0.00 1.31 0.00 0.00 55.95 59.08 1h1m s SER 160 Cb 0.37 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.90 1h1m s SER 160 CO -0.04 -0.71 0.91 0.41 0.41 0.00 0.00 173.24 174.21 1h1m n THR 161 N -1.07 1.63 -2.36 1.44 -1.04 -1.26 -4.85 114.28 106.77 1h1m n THR 161 Ca 0.08 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.33 1h1m n THR 161 Cb 0.53 -0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 68.40 1h1m n THR 161 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1h1m s THR 162 N -0.78 3.37 0.00 12.58 2.01 -0.54 -4.84 115.64 127.44 1h1m s THR 162 Ca 0.65 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.54 1h1m s THR 162 Cb -0.83 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1h1m s THR 162 CO 0.57 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1h1m n GLY 163 N 0.10 -1.31 3.76 4.40 0.00 -1.26 -3.83 105.19 107.04 1h1m n GLY 163 Ca 0.10 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1h1m n GLY 163 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h1m s PRO 164 N 0.00 3.45 1.13 1.61 0.04 -1.26 -5.03 135.00 134.94 1h1m s PRO 164 Ca 0.00 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1h1m s PRO 164 Cb 0.00 -2.38 0.26 0.00 0.04 0.00 0.00 34.50 32.41 1h1m s PRO 164 CO 0.00 -0.90 1.17 0.16 0.04 0.00 0.00 177.00 177.47 1h1m s ASP 165 N -1.01 1.60 0.21 6.66 1.47 -1.26 -4.65 116.67 119.69 1h1m s ASP 165 Ca 0.67 0.54 -0.07 0.00 1.18 0.00 0.00 52.55 54.87 1h1m s ASP 165 Cb -0.37 -0.74 0.16 0.00 -0.34 0.00 0.00 42.92 41.63 1h1m s ASP 165 CO 0.45 -3.69 1.72 0.77 0.68 0.00 0.00 175.17 175.09 1h1m h SER 166 N -2.29 1.01 -0.27 2.11 4.64 -1.99 -0.64 113.55 116.12 1h1m h SER 166 Ca -0.45 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 60.69 1h1m h SER 166 Cb 1.28 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 1h1m h SER 166 CO 0.36 1.00 -0.08 0.28 -0.87 0.00 0.00 176.83 177.53 1h1m h SER 167 N 1.00 -0.28 -0.08 4.97 0.02 -1.99 -2.93 113.55 114.26 1h1m h SER 167 Ca 0.20 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 1h1m h SER 167 Cb 0.42 0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1h1m h SER 167 CO 0.01 -0.10 -0.39 0.74 -1.14 0.00 0.00 176.83 175.95 1h1m h THR 168 N -0.01 1.41 0.00 -2.27 2.02 -1.75 -2.89 112.91 109.42 1h1m h THR 168 Ca 0.13 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1h1m h THR 168 Cb 0.22 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1h1m h THR 168 CO -0.29 0.52 0.00 -0.29 0.37 0.00 0.00 175.52 175.83 1h1m h ILE 169 N -0.07 0.00 -0.05 3.11 2.10 -1.19 0.18 117.51 121.60 1h1m h ILE 169 Ca -0.03 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1h1m h ILE 169 Cb 1.04 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1h1m h ILE 169 CO 0.08 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 175.95 1h1m n SER 170 N -2.52 0.58 -0.58 2.19 7.64 -1.09 -4.03 113.62 115.80 1h1m n SER 170 Ca -0.00 -1.46 0.05 0.00 1.01 0.00 0.00 58.87 58.47 1h1m n SER 170 Cb 0.13 -0.03 0.15 0.00 -1.01 0.00 0.00 64.21 63.45 1h1m n SER 170 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1h1m n THR 171 N -0.43 1.18 -0.30 0.44 -1.04 0.63 -4.70 114.28 110.07 1h1m n THR 171 Ca 0.16 -1.14 0.04 0.00 -2.04 0.00 0.00 64.05 61.08 1h1m n THR 171 Cb 0.17 0.39 0.11 0.00 -1.82 0.00 0.00 70.33 69.18 1h1m n THR 171 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h1m n LEU 172 N 0.22 2.68 0.25 -4.42 4.77 -1.26 -4.62 117.00 114.63 1h1m n LEU 172 Ca 0.11 -2.22 0.08 0.00 -0.03 0.00 0.00 56.01 53.95 1h1m n LEU 172 Cb 0.47 -0.21 0.61 0.00 -2.33 0.00 0.00 43.42 41.96 1h1m n LEU 172 CO 0.08 0.64 1.01 1.56 -1.33 0.00 0.00 177.39 179.35 1h1m h GLN 173 N 1.13 0.00 0.00 3.23 4.20 -1.78 -0.87 115.11 121.02 1h1m h GLN 173 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1h1m h GLN 173 Cb 0.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1h1m h GLN 173 CO 0.03 0.07 -0.07 0.77 -0.67 0.00 0.00 178.83 178.95 1h1m h SER 174 N 0.00 0.00 -0.46 1.46 0.02 -1.86 -0.37 113.55 112.34 1h1m h SER 174 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h1m h SER 174 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1h1m h SER 174 CO 0.01 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.26 1h1m n PHE 175 N -3.49 0.61 -2.84 3.45 3.72 -0.37 -4.91 117.46 113.63 1h1m n PHE 175 Ca -0.02 -0.30 -0.13 0.00 -0.05 0.00 0.00 57.45 56.95 1h1m n PHE 175 Cb 0.20 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1h1m n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1h1m n ASP 176 N 0.94 -4.28 -4.08 4.37 2.03 -0.15 -4.94 116.55 110.44 1h1m n ASP 176 Ca 0.17 -0.21 -0.32 0.00 0.52 0.00 0.00 54.79 54.94 1h1m n ASP 176 Cb 0.43 -3.05 -0.16 0.00 -0.72 0.00 0.00 41.12 37.61 1h1m n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1h1m s VAL 177 N -3.00 1.96 -0.24 5.18 1.01 -1.00 -4.22 120.40 120.10 1h1m s VAL 177 Ca 0.23 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1h1m s VAL 177 Cb -0.10 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1h1m s VAL 177 CO 0.28 0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 175.37 1h1m s TYR 178 N 1.30 3.04 0.50 5.22 1.51 -0.21 -2.63 117.35 126.08 1h1m s TYR 178 Ca 0.02 -1.64 -0.23 0.00 -1.01 0.00 0.00 57.07 54.21 1h1m s TYR 178 Cb -0.15 -2.02 -0.06 0.00 -0.11 0.00 0.00 41.96 39.62 1h1m s TYR 178 CO -0.11 -0.75 1.29 0.00 -1.11 0.00 0.00 175.55 174.87 1h1m s ALA 179 N 1.30 2.92 -0.51 3.71 0.00 -1.26 -1.31 121.76 126.61 1h1m s ALA 179 Ca -0.00 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.23 1h1m s ALA 179 Cb -0.16 -3.50 0.23 0.00 0.00 0.00 0.00 23.12 19.68 1h1m s ALA 179 CO -0.06 -1.09 0.57 0.39 0.00 0.00 0.00 175.76 175.56 1h1m n GLU 180 N -0.74 1.34 0.26 0.00 -0.58 -0.47 -4.85 120.64 115.60 1h1m n GLU 180 Ca 0.09 -3.82 0.15 0.00 -0.42 0.00 0.00 57.16 53.16 1h1m n GLU 180 Cb 0.46 -1.73 0.58 0.00 -0.57 0.00 0.00 31.44 30.18 1h1m n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1h1m h LEU 181 N 4.44 0.00 -0.08 -4.62 3.38 -1.94 -2.54 115.31 113.95 1h1m h LEU 181 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1h1m h LEU 181 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1h1m h LEU 181 CO 0.60 0.04 -0.03 -1.54 0.09 0.00 0.00 178.44 177.60 1h1m n SER 182 N -3.15 0.15 -4.71 -0.43 3.41 -1.26 -4.86 113.62 102.77 1h1m n SER 182 Ca 0.01 -0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 57.80 1h1m n SER 182 Cb 0.36 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1h1m n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1h1m s PHE 183 N -2.46 3.29 -0.33 7.33 5.36 -0.96 -5.00 117.98 125.21 1h1m s PHE 183 Ca 0.31 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1h1m s PHE 183 Cb 0.20 -3.60 0.08 0.00 -0.34 0.00 0.00 43.02 39.36 1h1m s PHE 183 CO 0.45 -2.06 0.04 0.99 -1.46 0.00 0.00 175.22 173.19 1h1m s THR 184 N 1.14 2.73 0.29 0.12 2.01 -1.26 -4.95 115.64 115.71 1h1m s THR 184 Ca 0.63 -1.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 1h1m s THR 184 Cb -0.34 -2.77 -0.12 0.00 0.01 0.00 0.00 72.50 69.28 1h1m s THR 184 CO 0.30 -0.37 1.55 -2.65 -0.69 0.00 0.00 174.62 172.76 1h1m n PRO 185 N 4.48 2.58 -2.12 4.92 -0.02 -1.26 -4.91 135.00 138.68 1h1m n PRO 185 Ca -0.06 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 61.97 1h1m n PRO 185 Cb 0.42 -2.67 0.01 0.00 -0.02 0.00 0.00 33.50 31.25 1h1m n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1h1m s ARG 186 N -0.67 3.34 -0.20 -0.52 1.70 -1.26 -4.96 118.95 116.39 1h1m s ARG 186 Ca 0.63 1.82 0.13 0.00 -0.47 0.00 0.00 55.73 57.84 1h1m s ARG 186 Cb -0.52 -2.15 0.43 0.00 -0.57 0.00 0.00 34.95 32.14 1h1m s ARG 186 CO 0.50 -0.91 1.21 0.25 -1.08 0.00 0.00 175.30 175.27 1h1m n THR 187 N -1.08 1.95 -1.49 4.99 -2.24 -1.26 -4.65 114.28 110.50 1h1m n THR 187 Ca 0.11 -3.09 0.01 0.00 -2.27 0.00 0.00 64.05 58.80 1h1m n THR 187 Cb 0.49 -0.17 0.20 0.00 -2.10 0.00 0.00 70.33 68.75 1h1m n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1h1m n ASP 188 N -0.85 2.19 -4.75 3.42 5.75 -1.26 -5.05 116.55 116.01 1h1m n ASP 188 Ca 0.21 -3.78 -0.42 0.00 -0.01 0.00 0.00 54.79 50.79 1h1m n ASP 188 Cb 0.79 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 1h1m n ASP 188 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1h1m n THR 189 N -1.12 1.19 -3.79 2.12 -1.04 -1.26 -4.75 114.28 105.63 1h1m n THR 189 Ca 0.26 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 61.84 1h1m n THR 189 Cb 0.87 -1.94 -0.14 0.00 -1.82 0.00 0.00 70.33 67.30 1h1m n THR 189 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h1m s VAL 190 N -0.20 -0.02 -1.34 12.58 1.01 -0.61 -4.86 120.40 126.96 1h1m s VAL 190 Ca 0.62 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1h1m s VAL 190 Cb -0.50 -0.20 0.10 0.00 0.00 0.00 0.00 36.38 35.78 1h1m s VAL 190 CO 0.51 0.04 0.53 0.59 0.00 0.00 0.00 175.10 176.77 1h1m n ASN 191 N 3.60 -3.25 -0.34 3.32 3.02 -1.26 -1.65 115.26 118.70 1h1m n ASN 191 Ca -0.19 -0.54 -0.04 0.00 -0.03 0.00 0.00 54.58 53.77 1h1m n ASN 191 Cb 0.55 -2.70 -0.02 0.00 -0.61 0.00 0.00 39.78 37.00 1h1m n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h1m n GLY 192 N -1.16 0.72 3.18 7.41 0.00 -1.26 -4.96 105.19 109.11 1h1m n GLY 192 Ca 0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1h1m n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1h1m s THR 193 N -2.07 0.13 -0.03 2.61 -1.32 -0.66 -0.81 115.64 113.48 1h1m s THR 193 Ca 0.00 -1.04 -0.28 0.00 -1.21 0.00 0.00 61.69 59.16 1h1m s THR 193 Cb 0.00 -1.07 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1h1m s THR 193 CO 0.00 -0.58 0.62 0.00 -2.21 0.00 0.00 174.62 172.45 1h1m s ALA 194 N -3.03 -1.61 1.04 11.08 0.00 -0.93 -1.57 121.76 126.73 1h1m s ALA 194 Ca -0.01 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.00 1h1m s ALA 194 Cb 0.01 0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.29 1h1m s ALA 194 CO -0.06 -0.38 0.42 -0.35 0.00 0.00 0.00 175.76 175.38 1h1m n PRO 195 N 0.88 -1.00 -0.03 0.00 -0.04 -1.26 -1.26 135.00 132.29 1h1m n PRO 195 Ca -0.19 -0.65 -0.01 0.00 -0.04 0.00 0.00 63.50 62.60 1h1m n PRO 195 Cb 0.57 -0.50 0.25 0.00 -0.04 0.00 0.00 33.50 33.78 1h1m n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h1m h ALA 196 N -2.07 1.28 -0.08 0.55 0.00 -1.92 -3.24 119.26 113.79 1h1m h ALA 196 Ca -0.14 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 1h1m h ALA 196 Cb 0.41 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1h1m h ALA 196 CO 0.10 0.48 -0.25 0.27 0.00 0.00 0.00 179.25 179.85 1h1m n ASN 197 N -4.25 5.43 -4.31 0.00 6.94 -1.26 -4.85 115.26 112.97 1h1m n ASN 197 Ca 0.02 -2.59 -0.17 0.00 -0.02 0.00 0.00 54.58 51.82 1h1m n ASN 197 Cb 0.27 -1.38 -0.10 0.00 -2.36 0.00 0.00 39.78 36.21 1h1m n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1h1m s THR 198 N 0.45 1.44 -0.24 5.53 -4.23 -1.22 -5.13 115.64 112.23 1h1m s THR 198 Ca 0.62 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1h1m s THR 198 Cb 0.31 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 72.17 1h1m s THR 198 CO -0.03 -0.62 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.66 1h1m s VAL 199 N -3.16 2.75 -0.27 2.29 1.01 -1.26 -5.06 120.40 116.70 1h1m s VAL 199 Ca 0.21 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1h1m s VAL 199 Cb 0.01 -2.40 0.12 0.00 0.00 0.00 0.00 36.38 34.11 1h1m s VAL 199 CO 0.05 0.20 0.23 0.86 0.00 0.00 0.00 175.10 176.44 1h1m s TRP 200 N 1.30 -0.18 -1.60 5.22 -0.00 -1.26 -4.81 118.94 117.62 1h1m s TRP 200 Ca -0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1h1m s TRP 200 Cb -0.17 -0.59 0.00 0.00 -0.00 0.00 0.00 33.47 32.71 1h1m s TRP 200 CO -0.05 -0.84 0.00 0.72 -0.00 0.00 0.00 176.95 176.78 1h1m n HIS 201 N 5.29 -0.04 -0.45 5.86 8.25 -1.26 -4.84 115.22 128.03 1h1m n HIS 201 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1h1m n HIS 201 Cb 0.45 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 28.87 1h1m n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1h1m n THR 202 N -2.64 0.35 0.00 1.59 -2.24 -1.26 -5.11 114.28 104.96 1h1m n THR 202 Ca -0.15 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1h1m n THR 202 Cb 0.51 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1h1m n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1m n GLY 203 N -0.17 -0.46 3.77 3.38 0.00 -1.26 -5.11 105.19 105.34 1h1m n GLY 203 Ca 0.00 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1h1m n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1m s ALA 204 N -2.00 3.31 -0.16 4.61 0.00 -1.26 -4.78 121.76 121.48 1h1m s ALA 204 Ca 0.00 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1h1m s ALA 204 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1h1m s ALA 204 CO 0.00 -0.77 -0.08 -0.80 0.00 0.00 0.00 175.76 174.10 1h1m s ASN 205 N -0.69 4.28 0.22 0.00 0.02 -0.18 -4.97 114.94 113.62 1h1m s ASN 205 Ca 0.55 -0.30 -0.09 0.00 -1.02 0.00 0.00 52.86 52.00 1h1m s ASN 205 Cb -0.38 -1.69 -0.07 0.00 0.02 0.00 0.00 41.25 39.13 1h1m s ASN 205 CO 0.49 0.11 0.54 0.00 0.02 0.00 0.00 177.10 178.26 1h1m s ALA 206 N 0.67 3.58 0.44 0.60 0.00 -1.26 -3.97 121.76 121.81 1h1m s ALA 206 Ca -0.05 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1h1m s ALA 206 Cb -0.15 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 1h1m s ALA 206 CO 0.02 0.52 1.39 -0.51 0.00 0.00 0.00 175.76 177.18 1h1m s LEU 207 N -2.78 4.14 0.26 0.00 1.02 -1.26 -4.78 118.68 115.28 1h1m s LEU 207 Ca 0.47 2.84 -0.31 0.00 0.02 0.00 0.00 54.13 57.15 1h1m s LEU 207 Cb -0.11 -3.92 -0.11 0.00 0.02 0.00 0.00 46.19 42.06 1h1m s LEU 207 CO 0.21 -1.08 1.60 0.00 0.02 0.00 0.00 176.35 177.11 1h1m s ALA 208 N -1.22 3.78 -1.01 4.21 0.00 -1.26 -4.88 121.76 121.37 1h1m s ALA 208 Ca 0.60 1.53 0.25 0.00 0.00 0.00 0.00 51.96 54.34 1h1m s ALA 208 Cb -0.42 -3.65 0.55 0.00 0.00 0.00 0.00 23.12 19.61 1h1m s ALA 208 CO 0.54 -0.92 1.45 -1.13 0.00 0.00 0.00 175.76 175.70 1h1m n SER 209 N 2.78 0.48 -4.70 0.00 3.41 -1.26 -4.73 113.62 109.60 1h1m n SER 209 Ca 0.10 -0.22 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 1h1m n SER 209 Cb 0.37 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 1h1m n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1h1m s THR 210 N -2.99 5.36 0.41 6.66 2.01 -1.26 -4.98 115.64 120.85 1h1m s THR 210 Ca 0.11 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 1h1m s THR 210 Cb 0.18 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1h1m s THR 210 CO 0.69 0.39 1.12 0.00 -0.69 0.00 0.00 174.62 176.12 1h1m s ALA 211 N 0.67 3.08 0.00 7.40 0.00 -1.26 -2.96 121.76 128.68 1h1m s ALA 211 Ca 0.10 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1h1m s ALA 211 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1h1m s ALA 211 CO 0.02 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1h1m n GLY 212 N 0.47 1.59 3.80 0.00 0.00 -1.26 -5.05 105.19 104.74 1h1m n GLY 212 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1h1m n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h1m s ASP 213 N -2.34 6.88 0.64 1.61 1.11 -1.16 -4.75 116.67 118.67 1h1m s ASP 213 Ca 0.00 1.05 -0.15 0.00 0.18 0.00 0.00 52.55 53.63 1h1m s ASP 213 Cb 0.00 -2.30 -0.01 0.00 1.07 0.00 0.00 42.92 41.67 1h1m s ASP 213 CO 0.00 0.22 1.09 -2.16 1.18 0.00 0.00 175.17 175.51 1h1m s PRO 214 N -0.66 2.97 0.15 8.23 0.04 -1.26 -4.69 135.00 139.78 1h1m s PRO 214 Ca 0.26 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1h1m s PRO 214 Cb -0.17 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1h1m s PRO 214 CO 0.15 -1.11 0.51 1.52 0.04 0.00 0.00 177.00 178.12 1h1m s TYR 215 N -2.38 -0.34 -0.03 0.56 1.13 -1.11 -4.91 117.35 110.28 1h1m s TYR 215 Ca 0.66 0.06 0.02 0.00 -1.41 0.00 0.00 57.07 56.40 1h1m s TYR 215 Cb -0.19 0.42 0.01 0.00 -1.10 0.00 0.00 41.96 41.10 1h1m s TYR 215 CO 0.40 -0.81 -0.07 -0.06 -2.51 0.00 0.00 175.55 172.50 1h1m s PHE 216 N -3.79 0.78 -0.21 -3.49 0.40 -1.26 -0.43 117.98 109.97 1h1m s PHE 216 Ca 0.03 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1h1m s PHE 216 Cb -0.00 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.95 1h1m s PHE 216 CO -0.11 -0.12 -0.13 0.42 0.70 0.00 0.00 175.22 175.98 1h1m s ILE 217 N 0.41 2.49 0.37 0.64 1.01 -0.03 -4.82 121.20 121.28 1h1m s ILE 217 Ca -0.06 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 1h1m s ILE 217 Cb -0.10 -2.15 -0.10 0.00 0.01 0.00 0.00 42.46 40.13 1h1m s ILE 217 CO 0.00 0.40 0.97 0.00 0.00 0.00 0.00 174.94 176.31 1h1m s ALA 218 N 1.32 3.13 -0.30 9.38 0.00 -1.26 -0.67 121.76 133.35 1h1m s ALA 218 Ca 0.03 0.52 -0.37 0.00 0.00 0.00 0.00 51.96 52.14 1h1m s ALA 218 Cb -0.15 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1h1m s ALA 218 CO -0.09 0.08 2.00 -1.71 0.00 0.00 0.00 175.76 176.05 1h1m n ASN 219 N 0.08 2.30 0.00 0.00 5.15 -1.25 -1.03 115.26 120.50 1h1m n ASN 219 Ca 0.04 0.72 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 1h1m n ASN 219 Cb 0.51 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 1h1m n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h1m n GLY 220 N 5.56 0.61 0.53 8.20 0.00 -1.26 -4.92 105.19 113.92 1h1m n GLY 220 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.47 1h1m n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1h1m n TRP 221 N -2.00 0.00 -2.27 1.61 7.02 -0.20 -4.85 117.44 116.76 1h1m n TRP 221 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 1h1m n TRP 221 Cb 0.00 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.03 1h1m n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1h1m n GLY 222 N 1.32 -0.26 3.76 6.99 0.00 -1.26 -1.01 105.19 114.73 1h1m n GLY 222 Ca 0.09 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 1h1m n GLY 222 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h1m s PRO 223 N -5.24 3.66 0.04 1.61 0.04 -1.26 -4.88 135.00 128.98 1h1m s PRO 223 Ca 0.65 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.81 1h1m s PRO 223 Cb -0.03 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1h1m s PRO 223 CO 0.44 -0.73 -0.06 0.15 0.04 0.00 0.00 177.00 176.85 1h1m s LYS 224 N -2.55 0.50 -0.04 4.56 1.02 -1.26 -3.81 119.74 118.16 1h1m s LYS 224 Ca 0.63 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.82 1h1m s LYS 224 Cb -0.37 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1h1m s LYS 224 CO 0.46 -0.00 -0.06 0.71 -0.92 0.00 0.00 175.35 175.53 1h1m s TYR 225 N -1.86 0.86 -0.22 3.18 1.51 -0.38 -0.99 117.35 119.44 1h1m s TYR 225 Ca -0.08 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 1h1m s TYR 225 Cb -0.07 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1h1m s TYR 225 CO -0.01 -0.17 0.39 -1.17 -1.11 0.00 0.00 175.55 173.48 1h1m s LEU 226 N 0.66 4.12 -0.14 -1.29 2.96 -0.05 -1.01 118.68 123.92 1h1m s LEU 226 Ca -0.10 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1h1m s LEU 226 Cb -0.13 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1h1m s LEU 226 CO 0.01 -0.11 -0.05 0.21 -1.32 0.00 0.00 176.35 175.08 1h1m s ASN 227 N 1.22 4.69 -0.10 3.68 3.84 0.68 -1.94 114.94 127.02 1h1m s ASN 227 Ca 0.18 -0.13 0.13 0.00 0.21 0.00 0.00 52.86 53.25 1h1m s ASN 227 Cb -0.15 -1.67 0.28 0.00 -0.55 0.00 0.00 41.25 39.15 1h1m s ASN 227 CO 0.08 0.20 1.18 -1.20 -2.79 0.00 0.00 177.10 174.58 1h1m n SER 228 N 3.31 2.66 0.10 -4.21 7.64 -1.26 -0.97 113.62 120.89 1h1m n SER 228 Ca -0.18 -2.71 -0.05 0.00 1.01 0.00 0.00 58.87 56.95 1h1m n SER 228 Cb 0.53 -0.33 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1h1m n SER 228 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1h1m h GLN 229 N 0.60 0.05 -2.03 1.43 4.20 -1.94 -3.37 115.11 114.05 1h1m h GLN 229 Ca 0.00 -0.05 -0.54 0.00 0.06 0.00 0.00 58.65 58.11 1h1m h GLN 229 Cb 0.95 0.01 -0.40 0.00 0.30 0.00 0.00 27.48 28.35 1h1m h GLN 229 CO 0.05 0.82 -1.06 0.66 -0.67 0.00 0.00 178.83 178.62 1h1m n TYR 230 N -3.63 0.33 -4.30 2.96 4.01 -1.26 -5.06 117.16 110.21 1h1m n TYR 230 Ca -0.01 -3.70 0.00 0.00 -0.16 0.00 0.00 57.90 54.03 1h1m n TYR 230 Cb 0.76 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1h1m n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h1m n GLY 231 N 1.00 -1.40 3.69 2.72 0.00 -1.26 -4.83 105.19 105.12 1h1m n GLY 231 Ca 0.23 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1h1m n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h1m s TYR 232 N 0.00 3.31 -0.02 1.61 2.02 -1.26 -4.08 117.35 118.94 1h1m s TYR 232 Ca 0.00 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 1h1m s TYR 232 Cb 0.00 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1h1m s TYR 232 CO 0.00 0.32 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.62 1h1m s GLN 233 N -0.07 0.42 -0.24 -0.62 -0.21 -0.14 -0.93 119.66 117.87 1h1m s GLN 233 Ca 0.07 -0.05 -0.00 0.00 0.02 0.00 0.00 55.36 55.39 1h1m s GLN 233 Cb -0.12 -0.49 0.03 0.00 1.00 0.00 0.00 33.01 33.43 1h1m s GLN 233 CO 0.01 -0.03 -0.09 0.42 -2.12 0.00 0.00 175.29 173.47 1h1m s ILE 234 N 0.55 2.63 -0.17 1.08 1.01 0.11 -0.23 121.20 126.18 1h1m s ILE 234 Ca -0.06 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 1h1m s ILE 234 Cb -0.09 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1h1m s ILE 234 CO -0.01 0.23 0.53 -0.69 0.00 0.00 0.00 174.94 175.01 1h1m s VAL 235 N 1.29 5.12 -0.48 2.92 1.01 -0.18 -0.52 120.40 129.55 1h1m s VAL 235 Ca -0.00 1.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 1h1m s VAL 235 Cb -0.16 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.48 1h1m s VAL 235 CO -0.06 0.22 0.33 0.00 0.00 0.00 0.00 175.10 175.58 1h1m s ALA 236 N 1.30 3.36 0.35 5.51 0.00 -0.02 -1.25 121.76 131.01 1h1m s ALA 236 Ca 0.26 -2.66 -0.29 0.00 0.00 0.00 0.00 51.96 49.28 1h1m s ALA 236 Cb -0.16 -2.69 -0.11 0.00 0.00 0.00 0.00 23.12 20.16 1h1m s ALA 236 CO 0.10 -1.91 1.47 -2.14 0.00 0.00 0.00 175.76 173.28 1h1m s PRO 237 N 1.06 4.16 -0.09 0.00 0.02 -1.25 -1.77 135.00 137.14 1h1m s PRO 237 Ca 0.08 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1h1m s PRO 237 Cb -0.24 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1h1m s PRO 237 CO -0.03 -0.48 -0.09 1.19 -0.33 0.00 0.00 177.00 177.26 1h1m n PHE 238 N 0.91 0.00 -4.55 6.54 3.72 0.45 -4.74 117.46 119.79 1h1m n PHE 238 Ca 0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.19 1h1m n PHE 238 Cb 0.39 -0.34 -0.16 0.00 -0.94 0.00 0.00 39.48 38.43 1h1m n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1h1m s VAL 239 N -2.18 1.05 0.44 -4.37 1.01 -0.08 -4.95 120.40 111.33 1h1m s VAL 239 Ca -0.13 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1h1m s VAL 239 Cb 0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1h1m s VAL 239 CO 0.19 0.33 0.06 0.42 0.00 0.00 0.00 175.10 176.10 1h1m s THR 240 N 0.47 1.01 0.36 3.92 -4.23 -1.26 -2.04 115.64 113.86 1h1m s THR 240 Ca -0.10 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1h1m s THR 240 Cb -0.13 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.66 1h1m s THR 240 CO 0.02 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.92 1h1m h ALA 241 N 1.65 1.92 -0.71 3.99 0.00 -1.91 -0.24 119.26 123.96 1h1m h ALA 241 Ca -0.40 0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.70 1h1m h ALA 241 Cb 1.28 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1h1m h ALA 241 CO 0.67 -0.25 0.22 1.15 0.00 0.00 0.00 179.25 181.05 1h1m h THR 242 N 0.61 0.60 0.12 0.00 2.02 -1.96 -1.56 112.91 112.75 1h1m h THR 242 Ca 0.52 -0.12 -0.35 0.00 0.77 0.00 0.00 66.41 67.24 1h1m h THR 242 Cb 1.01 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1h1m h THR 242 CO -0.28 0.06 -1.90 1.56 0.37 0.00 0.00 175.52 175.34 1h1m h GLN 243 N 0.34 0.26 -0.08 6.66 7.50 -1.49 -3.38 115.11 124.92 1h1m h GLN 243 Ca 0.39 -0.44 -0.13 0.00 0.50 0.00 0.00 58.65 58.96 1h1m h GLN 243 Cb 0.62 0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.30 1h1m h GLN 243 CO -0.44 1.15 -0.55 0.00 -1.50 0.00 0.00 178.83 177.49 1h1m h ALA 244 N 0.21 0.92 -0.20 3.87 0.00 -0.99 -3.44 119.26 119.63 1h1m h ALA 244 Ca -0.38 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1h1m h ALA 244 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1h1m h ALA 244 CO 0.11 0.69 0.00 1.04 0.00 0.00 0.00 179.25 181.09 1h1m n GLN 245 N -3.91 0.00 0.31 0.00 6.02 -0.60 -1.23 117.38 117.97 1h1m n GLN 245 Ca -0.02 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.17 1h1m n GLN 245 Cb 0.58 0.00 0.95 0.00 1.02 0.00 0.00 30.24 32.79 1h1m n GLN 245 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1h1m h ASP 246 N 0.00 0.00 0.23 1.08 2.03 -1.92 -2.15 116.42 115.69 1h1m h ASP 246 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1h1m h ASP 246 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1h1m h ASP 246 CO 0.00 0.01 0.00 0.71 -1.03 0.00 0.00 179.24 178.93 1h1m h THR 247 N 0.00 0.00 -5.49 1.15 1.35 -1.55 -3.47 112.91 104.91 1h1m h THR 247 Ca -0.00 -0.10 -0.27 0.00 -0.55 0.00 0.00 66.41 65.49 1h1m h THR 247 Cb 0.24 0.95 0.19 0.00 -1.73 0.00 0.00 68.15 67.80 1h1m h THR 247 CO 0.00 0.00 -0.84 -3.20 -0.25 0.00 0.00 175.52 171.23 1h1m n ASN 248 N -2.80 -5.81 -3.93 5.36 5.15 -0.81 -4.87 115.26 107.55 1h1m n ASN 248 Ca -0.02 -0.69 -0.09 0.00 -0.60 0.00 0.00 54.58 53.18 1h1m n ASN 248 Cb 0.11 -5.20 -0.05 0.00 -0.53 0.00 0.00 39.78 34.12 1h1m n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1h1m s TYR 249 N -3.38 0.19 0.14 1.20 1.13 -1.24 -0.44 117.35 114.95 1h1m s TYR 249 Ca 0.38 -0.57 0.06 0.00 -1.41 0.00 0.00 57.07 55.53 1h1m s TYR 249 Cb -0.05 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1h1m s TYR 249 CO 0.74 -1.00 -0.13 0.95 -2.51 0.00 0.00 175.55 173.60 1h1m s THR 250 N -3.97 1.34 -0.07 -3.49 -4.23 -0.10 -4.51 115.64 100.61 1h1m s THR 250 Ca 0.18 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.75 1h1m s THR 250 Cb -0.01 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1h1m s THR 250 CO 0.06 -0.53 0.19 -0.22 -0.54 0.00 0.00 174.62 173.58 1h1m s LEU 251 N -2.76 1.16 0.21 4.79 2.96 -0.87 -1.42 118.68 122.75 1h1m s LEU 251 Ca 0.13 0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 54.19 1h1m s LEU 251 Cb -0.02 0.62 0.05 0.00 0.50 0.00 0.00 46.19 47.34 1h1m s LEU 251 CO 0.03 -0.08 0.88 -0.94 -1.32 0.00 0.00 176.35 174.92 1h1m s SER 252 N 0.30 -0.17 0.11 3.68 1.04 -0.58 -0.41 113.70 117.68 1h1m s SER 252 Ca -0.02 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1h1m s SER 252 Cb -0.03 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1h1m s SER 252 CO -0.01 -1.10 0.21 0.42 0.98 0.00 0.00 173.24 173.74 1h1m s THR 253 N -3.29 5.13 -0.14 2.02 -4.23 -0.73 -0.49 115.64 113.92 1h1m s THR 253 Ca 0.13 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1h1m s THR 253 Cb -0.03 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1h1m s THR 253 CO 0.05 0.01 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.36 1h1m s ILE 254 N -1.63 1.54 -0.02 2.99 1.01 -0.38 -0.84 121.20 123.87 1h1m s ILE 254 Ca 0.34 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1h1m s ILE 254 Cb -0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1h1m s ILE 254 CO 0.27 0.45 0.17 -0.44 0.00 0.00 0.00 174.94 175.39 1h1m s SER 255 N 1.35 6.29 -0.01 3.58 0.01 0.32 -0.79 113.70 124.44 1h1m s SER 255 Ca 0.02 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.63 1h1m s SER 255 Cb -0.13 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.13 1h1m s SER 255 CO -0.08 0.28 -0.07 -0.04 0.41 0.00 0.00 173.24 173.74 1h1m s MET 256 N -1.83 0.62 0.78 12.44 1.00 0.12 -0.71 119.30 131.72 1h1m s MET 256 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 55.69 55.67 1h1m s MET 256 Cb -0.12 -0.61 0.14 0.00 0.00 0.00 0.00 34.83 34.24 1h1m s MET 256 CO 0.17 0.12 1.07 -1.54 0.00 0.00 0.00 175.02 174.84 1h1m s SER 257 N 0.01 4.07 1.01 3.03 1.04 -0.11 -1.73 113.70 121.03 1h1m s SER 257 Ca 0.00 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 1h1m s SER 257 Cb -0.05 -0.15 0.20 0.00 0.10 0.00 0.00 66.02 66.12 1h1m s SER 257 CO -0.00 -2.06 1.09 0.42 0.98 0.00 0.00 173.24 173.66 1h1m s THR 258 N -3.33 2.09 -0.27 2.02 -4.23 -1.25 -4.29 115.64 106.38 1h1m s THR 258 Ca 0.68 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.06 1h1m s THR 258 Cb -0.05 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1h1m s THR 258 CO 0.46 -0.04 0.39 -0.89 -0.54 0.00 0.00 174.62 174.01 1h1m s THR 259 N -2.91 5.16 0.79 3.99 2.01 -1.26 -4.45 115.64 118.96 1h1m s THR 259 Ca 0.66 0.62 -0.08 0.00 0.31 0.00 0.00 61.69 63.20 1h1m s THR 259 Cb -0.19 -3.72 0.12 0.00 0.01 0.00 0.00 72.50 68.72 1h1m s THR 259 CO 0.58 0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 173.60 1h1m s PRO 260 N 2.09 1.59 0.17 4.92 0.04 -1.26 -4.94 135.00 137.61 1h1m s PRO 260 Ca 0.16 -0.54 -0.33 0.00 0.04 0.00 0.00 61.00 60.32 1h1m s PRO 260 Cb -0.16 -2.12 -0.16 0.00 0.04 0.00 0.00 34.50 32.11 1h1m s PRO 260 CO 0.10 -1.65 1.22 0.45 0.04 0.00 0.00 177.00 177.16 1h1m n SER 261 N -3.15 1.55 0.00 6.66 2.88 -1.26 -1.46 113.62 118.85 1h1m n SER 261 Ca 0.12 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1h1m n SER 261 Cb 0.60 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1h1m n SER 261 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1h1m n THR 262 N 1.70 0.00 -3.23 2.46 -2.24 -1.26 -5.02 114.28 106.69 1h1m n THR 262 Ca 0.15 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.55 1h1m n THR 262 Cb 0.25 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1h1m n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h1m s VAL 263 N -1.44 5.13 -0.11 2.28 1.01 -0.53 -5.07 120.40 121.67 1h1m s VAL 263 Ca 0.00 1.12 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 1h1m s VAL 263 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1h1m s VAL 263 CO 0.00 0.31 0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1h1m s THR 264 N 0.63 5.50 0.11 3.92 2.01 -1.26 -4.68 115.64 121.87 1h1m s THR 264 Ca 0.30 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 1h1m s THR 264 Cb -0.16 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 1h1m s THR 264 CO 0.13 0.61 1.78 -0.69 -0.69 0.00 0.00 174.62 175.76 1h1m s VAL 265 N -1.04 2.65 0.77 3.82 1.01 -1.26 -4.94 120.40 121.41 1h1m s VAL 265 Ca 0.16 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1h1m s VAL 265 Cb -0.12 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1h1m s VAL 265 CO 0.05 -0.00 1.09 -2.16 0.00 0.00 0.00 175.10 174.08 1h1m s PRO 266 N 2.69 2.28 -0.13 2.72 0.04 -1.26 -5.03 135.00 136.31 1h1m s PRO 266 Ca 0.79 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 1h1m s PRO 266 Cb -0.45 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1h1m s PRO 266 CO 0.35 -1.48 0.01 0.99 0.04 0.00 0.00 177.00 176.91 1h1m s THR 267 N -3.18 4.31 0.12 1.26 2.01 -1.26 -4.47 115.64 114.43 1h1m s THR 267 Ca 0.60 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1h1m s THR 267 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1h1m s THR 267 CO 0.54 0.53 -0.12 0.26 -0.69 0.00 0.00 174.62 175.15 1h1m s TRP 268 N -0.16 2.67 -0.15 4.92 0.52 0.94 -4.93 118.94 122.75 1h1m s TRP 268 Ca 0.05 -0.19 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 1h1m s TRP 268 Cb -0.13 -1.38 0.05 0.00 -1.15 0.00 0.00 33.47 30.86 1h1m s TRP 268 CO 0.02 0.43 0.37 0.45 0.02 0.00 0.00 176.95 178.25 1h1m s SER 269 N -2.32 -0.42 0.05 2.95 0.15 -1.26 -1.25 113.70 111.59 1h1m s SER 269 Ca 0.21 0.78 0.02 0.00 0.70 0.00 0.00 55.95 57.67 1h1m s SER 269 Cb -0.11 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1h1m s SER 269 CO 0.13 -0.16 -0.08 -0.36 1.20 0.00 0.00 173.24 173.97 1h1m s PHE 270 N 0.81 0.71 0.30 3.44 0.08 -1.26 -4.98 117.98 117.07 1h1m s PHE 270 Ca -0.05 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.55 1h1m s PHE 270 Cb -0.06 -0.42 0.48 0.00 -0.57 0.00 0.00 43.02 42.45 1h1m s PHE 270 CO -0.06 -0.08 1.73 -1.00 -0.10 0.00 0.00 175.22 175.71 1h1m h PRO 271 N 4.43 0.29 -6.41 0.24 0.13 -1.93 0.41 132.00 129.16 1h1m h PRO 271 Ca -0.36 -0.12 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1h1m h PRO 271 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1h1m h PRO 271 CO 0.41 0.61 -0.17 0.20 -0.23 0.00 0.00 178.00 178.82 1h1m s GLY 272 N -4.15 2.04 0.89 1.56 0.00 -1.25 -3.91 107.32 102.50 1h1m s GLY 272 Ca -0.05 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 1h1m s GLY 272 CO 0.77 -0.38 0.79 0.00 0.00 0.00 0.00 173.10 174.29 1h1m n ALA 273 N -0.52 -1.46 -2.92 3.20 0.00 -1.26 -3.95 120.51 113.60 1h1m n ALA 273 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 1h1m n ALA 273 Cb 0.53 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1h1m n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h1m s ALA 275 N -3.97 -1.29 0.02 0.00 0.00 -0.06 -0.52 121.76 115.94 1h1m s ALA 275 Ca 0.17 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1h1m s ALA 275 Cb 0.02 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1h1m s ALA 275 CO 0.02 -0.67 0.15 -0.59 0.00 0.00 0.00 175.76 174.66 1h1m s PHE 276 N -3.54 0.07 -0.18 0.00 -0.12 -0.43 -0.76 117.98 113.02 1h1m s PHE 276 Ca 0.01 -0.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1h1m s PHE 276 Cb 0.00 -0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1h1m s PHE 276 CO -0.11 -0.34 -0.18 -1.14 -0.05 0.00 0.00 175.22 173.41 1h1m s GLN 277 N -1.92 3.06 0.19 1.99 0.74 0.09 -0.58 119.66 123.21 1h1m s GLN 277 Ca -0.10 -0.80 -0.32 0.00 0.05 0.00 0.00 55.36 54.19 1h1m s GLN 277 Cb -0.05 -2.63 -0.12 0.00 1.10 0.00 0.00 33.01 31.31 1h1m s GLN 277 CO -0.01 -0.19 1.74 0.28 -0.55 0.00 0.00 175.29 176.56 1h1m n VAL 278 N 4.61 0.07 -0.13 1.34 0.31 -0.56 -0.19 118.33 123.79 1h1m n VAL 278 Ca -0.20 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 1h1m n VAL 278 Cb 0.50 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 1h1m n VAL 278 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h1m n GLN 279 N 4.29 0.59 -3.90 5.55 1.13 0.60 0.29 117.38 125.93 1h1m n GLN 279 Ca 0.16 0.19 -0.11 0.00 -1.94 0.00 0.00 57.00 55.30 1h1m n GLN 279 Cb 0.35 -1.47 -0.13 0.00 0.11 0.00 0.00 30.24 29.10 1h1m n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1h1m s GLU 280 N -2.49 0.10 0.00 -1.09 2.12 -0.58 -4.65 118.70 112.11 1h1m s GLU 280 Ca -0.35 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1h1m s GLU 280 Cb 0.11 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1h1m s GLU 280 CO 0.52 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1h1m n GLY 281 N 2.67 -1.89 2.83 -1.50 0.00 -1.26 -1.42 105.19 104.63 1h1m n GLY 281 Ca -0.15 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 1h1m n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h1m s ARG 282 N 0.00 0.17 -0.09 1.61 0.52 -1.26 -4.33 118.95 115.56 1h1m s ARG 282 Ca 0.00 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 1h1m s ARG 282 Cb 0.00 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.73 1h1m s ARG 282 CO 0.00 -0.52 -0.13 0.08 0.02 0.00 0.00 175.30 174.75 1h1m s VAL 283 N 2.36 1.29 -0.17 3.52 1.01 -0.74 -0.94 120.40 126.73 1h1m s VAL 283 Ca 0.05 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1h1m s VAL 283 Cb -0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1h1m s VAL 283 CO -0.11 0.40 0.39 -0.69 0.00 0.00 0.00 175.10 175.09 1h1m s VAL 284 N 0.93 5.22 0.04 2.92 1.01 0.02 -0.06 120.40 130.49 1h1m s VAL 284 Ca -0.09 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.71 1h1m s VAL 284 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1h1m s VAL 284 CO 0.00 0.31 -0.24 0.54 0.00 0.00 0.00 175.10 175.71 1h1m s VAL 285 N 0.92 2.33 -0.13 2.92 0.11 -0.70 -1.35 120.40 124.50 1h1m s VAL 285 Ca 0.20 -1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 57.93 1h1m s VAL 285 Cb -0.14 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1h1m s VAL 285 CO 0.07 0.38 0.01 -1.58 -3.33 0.00 0.00 175.10 170.65 1h1m s GLN 286 N -1.25 0.68 -0.14 1.54 0.74 0.06 -1.72 119.66 119.57 1h1m s GLN 286 Ca 0.12 -0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.40 1h1m s GLN 286 Cb -0.10 -1.52 0.01 0.00 1.10 0.00 0.00 33.01 32.50 1h1m s GLN 286 CO 0.03 -0.45 -0.20 0.42 -0.55 0.00 0.00 175.29 174.53 1h1m s ILE 287 N 1.91 1.96 0.00 -2.34 1.01 -1.26 -1.20 121.20 121.28 1h1m s ILE 287 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1h1m s ILE 287 Cb -0.14 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1h1m s ILE 287 CO -0.07 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1h1m n GLY 288 N 4.21 3.28 0.79 6.18 0.00 -0.34 -1.61 105.19 117.70 1h1m n GLY 288 Ca -0.20 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1h1m n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h1m n ASP 289 N 3.24 2.31 -4.87 1.61 8.00 -1.26 -4.97 116.55 120.61 1h1m n ASP 289 Ca 0.00 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 1h1m n ASP 289 Cb 0.00 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1h1m n ASP 289 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1h1m s TYR 290 N -1.48 3.59 0.35 1.24 1.51 -0.63 -4.75 117.35 117.17 1h1m s TYR 290 Ca 0.31 1.23 -0.28 0.00 -1.01 0.00 0.00 57.07 57.32 1h1m s TYR 290 Cb 0.16 -2.65 -0.10 0.00 -0.11 0.00 0.00 41.96 39.26 1h1m s TYR 290 CO 0.22 -0.55 1.25 0.00 -1.11 0.00 0.00 175.55 175.35 1h1m s ALA 291 N -3.00 3.37 0.63 3.71 0.00 -0.16 -4.45 121.76 121.86 1h1m s ALA 291 Ca 0.54 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 1h1m s ALA 291 Cb -0.11 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1h1m s ALA 291 CO 0.48 -0.58 1.30 0.00 0.00 0.00 0.00 175.76 176.97 1h1m n ALA 292 N 0.59 1.24 -3.39 0.00 0.00 -1.26 -4.61 120.51 113.07 1h1m n ALA 292 Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1h1m n ALA 292 Cb 0.43 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1h1m n ALA 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1h1m s THR 293 N -1.36 -0.02 -0.15 0.00 2.01 -0.70 -5.00 115.64 110.42 1h1m s THR 293 Ca 0.80 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.73 1h1m s THR 293 Cb -0.39 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1h1m s THR 293 CO 0.42 0.06 0.53 -0.70 -0.69 0.00 0.00 174.62 174.24 1h1m s GLU 294 N 0.62 4.29 -0.00 4.92 2.12 -1.26 -1.73 118.70 127.66 1h1m s GLU 294 Ca -0.05 0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 1h1m s GLU 294 Cb -0.08 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1h1m s GLU 294 CO -0.02 -0.00 0.09 -0.51 -0.54 0.00 0.00 175.26 174.28 1h1m s LEU 295 N 1.13 3.94 0.00 2.70 1.02 0.92 -4.92 118.68 123.47 1h1m s LEU 295 Ca 0.27 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.58 1h1m s LEU 295 Cb -0.16 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1h1m s LEU 295 CO 0.11 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.36 1h1m n GLY 296 N 1.15 6.25 3.70 -3.19 0.00 -1.26 -1.78 105.19 110.06 1h1m n GLY 296 Ca -0.13 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1h1m n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h1m n SER 297 N -0.48 3.38 0.00 1.61 3.41 -1.26 -1.60 113.62 118.68 1h1m n SER 297 Ca 0.00 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1h1m n SER 297 Cb 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1h1m n SER 297 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h1m n GLY 298 N 2.91 2.62 3.78 5.00 0.00 0.15 -4.59 105.19 115.06 1h1m n GLY 298 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1h1m n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h1m s ASP 299 N -3.77 6.24 -0.08 1.61 1.01 -0.63 -3.77 116.67 117.27 1h1m s ASP 299 Ca 0.00 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.49 1h1m s ASP 299 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1h1m s ASP 299 CO 0.00 -0.86 -0.19 -0.69 0.21 0.00 0.00 175.17 173.64 1h1m s VAL 300 N -1.64 1.66 -0.10 -1.27 1.01 -0.48 -1.50 120.40 118.09 1h1m s VAL 300 Ca 0.64 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1h1m s VAL 300 Cb -0.25 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1h1m s VAL 300 CO 0.31 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.80 1h1m s ALA 301 N 0.45 2.90 -0.09 5.51 0.00 0.25 -1.07 121.76 129.71 1h1m s ALA 301 Ca -0.16 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1h1m s ALA 301 Cb -0.17 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 1h1m s ALA 301 CO 0.07 0.44 -0.23 0.12 0.00 0.00 0.00 175.76 176.15 1h1m s PHE 302 N -0.35 2.42 -0.24 0.00 5.36 0.03 -1.31 117.98 123.89 1h1m s PHE 302 Ca 0.05 -0.93 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 1h1m s PHE 302 Cb -0.12 -1.62 0.06 0.00 -0.34 0.00 0.00 43.02 41.00 1h1m s PHE 302 CO 0.02 -0.36 -0.07 0.42 -1.46 0.00 0.00 175.22 173.77 1h1m s ILE 303 N 0.27 1.69 0.55 3.12 1.09 0.32 -2.41 121.20 125.83 1h1m s ILE 303 Ca -0.15 -1.33 -0.21 0.00 -1.10 0.00 0.00 60.65 57.86 1h1m s ILE 303 Cb -0.17 -1.92 -0.06 0.00 -1.06 0.00 0.00 42.46 39.26 1h1m s ILE 303 CO 0.07 -0.09 1.12 -2.65 -0.10 0.00 0.00 174.94 173.29 1h1m n PRO 304 N 4.61 1.25 -1.62 2.79 -0.02 -1.26 -1.19 135.00 139.57 1h1m n PRO 304 Ca -0.12 0.47 -0.49 0.00 -2.02 0.00 0.00 63.50 61.34 1h1m n PRO 304 Cb 0.43 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1h1m n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h1m n GLY 305 N 1.08 0.59 2.18 -1.23 0.00 -1.25 -2.20 105.19 104.36 1h1m n GLY 305 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1h1m n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1m n GLY 306 N 2.60 0.77 3.81 -0.02 0.00 0.14 -4.88 105.19 107.62 1h1m n GLY 306 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1h1m n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h1m s VAL 307 N -2.94 5.06 0.42 1.61 1.01 -0.93 -4.93 120.40 119.70 1h1m s VAL 307 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1h1m s VAL 307 Cb 0.00 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1h1m s VAL 307 CO 0.00 0.58 0.91 -1.61 0.00 0.00 0.00 175.10 174.98 1h1m s GLU 308 N -1.08 4.14 0.06 2.72 2.02 -1.26 -4.58 118.70 120.72 1h1m s GLU 308 Ca 0.16 1.00 -0.22 0.00 0.02 0.00 0.00 54.97 55.93 1h1m s GLU 308 Cb -0.12 -2.23 0.05 0.00 0.10 0.00 0.00 34.13 31.94 1h1m s GLU 308 CO 0.05 -0.03 0.51 -0.59 0.02 0.00 0.00 175.26 175.22 1h1m s PHE 309 N -2.21 -0.40 0.02 1.61 -0.71 -0.38 -1.20 117.98 114.70 1h1m s PHE 309 Ca 0.60 0.40 0.04 0.00 -1.04 0.00 0.00 56.93 56.92 1h1m s PHE 309 Cb -0.09 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1h1m s PHE 309 CO 0.17 -0.66 -0.11 0.15 -1.34 0.00 0.00 175.22 173.43 1h1m s LYS 310 N -2.65 0.79 0.07 1.99 1.02 -0.34 -0.04 119.74 120.58 1h1m s LYS 310 Ca -0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1h1m s LYS 310 Cb -0.00 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1h1m s LYS 310 CO -0.03 0.19 -0.05 1.52 -0.92 0.00 0.00 175.35 176.06 1h1m s TYR 311 N -0.62 0.68 0.11 3.18 1.13 -1.26 -0.76 117.35 119.81 1h1m s TYR 311 Ca 0.01 -0.89 -0.24 0.00 -1.41 0.00 0.00 57.07 54.54 1h1m s TYR 311 Cb -0.06 -0.43 0.07 0.00 -1.10 0.00 0.00 41.96 40.43 1h1m s TYR 311 CO 0.00 -0.22 0.60 1.52 -2.51 0.00 0.00 175.55 174.94 1h1m s TYR 312 N -3.27 -0.54 -0.21 -3.49 -0.85 -0.46 -4.82 117.35 103.72 1h1m s TYR 312 Ca 0.05 0.47 -0.21 0.00 -0.52 0.00 0.00 57.07 56.86 1h1m s TYR 312 Cb 0.03 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1h1m s TYR 312 CO -0.06 -0.78 0.66 0.45 -1.52 0.00 0.00 175.55 174.30 1h1m s SER 313 N -2.39 6.70 0.16 -0.18 0.15 -1.26 -0.80 113.70 116.08 1h1m s SER 313 Ca -0.02 0.85 -0.03 0.00 0.70 0.00 0.00 55.95 57.45 1h1m s SER 313 Cb -0.01 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 1h1m s SER 313 CO -0.08 -0.32 1.41 -0.33 1.20 0.00 0.00 173.24 175.13 1h1m h GLU 314 N 7.55 0.48 -7.25 5.44 4.39 -1.41 -3.41 114.58 120.38 1h1m h GLU 314 Ca -0.30 -0.39 -0.50 0.00 0.34 0.00 0.00 59.36 58.51 1h1m h GLU 314 Cb 1.14 0.08 0.08 0.00 -0.10 0.00 0.00 28.75 29.94 1h1m h GLU 314 CO 0.78 1.02 0.37 0.00 -1.16 0.00 0.00 179.01 180.03 1h1m s ALA 315 N -3.65 2.71 0.41 3.43 0.00 -1.09 -4.93 121.76 118.64 1h1m s ALA 315 Ca -0.07 0.28 0.29 0.00 0.00 0.00 0.00 51.96 52.46 1h1m s ALA 315 Cb 0.10 -3.21 1.53 0.00 0.00 0.00 0.00 23.12 21.54 1h1m s ALA 315 CO 0.85 -0.97 2.09 1.88 0.00 0.00 0.00 175.76 179.61 1h1m h TYR 316 N -0.01 0.00 -2.72 0.00 0.05 -1.91 -3.39 116.97 109.00 1h1m h TYR 316 Ca -0.46 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.20 1h1m h TYR 316 Cb 1.22 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.69 1h1m h TYR 316 CO 0.60 0.10 -0.31 0.12 -1.05 0.00 0.00 178.16 177.62 1h1m s PHE 317 N -4.16 -0.53 0.08 4.88 2.19 -1.26 -3.96 117.98 115.22 1h1m s PHE 317 Ca -0.03 1.18 0.04 0.00 0.33 0.00 0.00 56.93 58.44 1h1m s PHE 317 Cb 0.13 0.21 -0.03 0.00 -1.31 0.00 0.00 43.02 42.02 1h1m s PHE 317 CO 0.57 -0.30 -0.10 -1.12 1.83 0.00 0.00 175.22 176.10 1h1m s SER 318 N 1.07 1.40 -0.04 6.13 0.01 -0.70 -4.40 113.70 117.17 1h1m s SER 318 Ca -0.07 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.45 1h1m s SER 318 Cb -0.07 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1h1m s SER 318 CO -0.09 -0.22 -0.02 -0.75 0.41 0.00 0.00 173.24 172.57 1h1m s LYS 319 N -2.45 0.54 0.13 12.44 2.20 -0.51 0.12 119.74 132.22 1h1m s LYS 319 Ca 0.02 -0.00 0.10 0.00 -0.36 0.00 0.00 55.97 55.72 1h1m s LYS 319 Cb -0.05 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 1h1m s LYS 319 CO 0.00 -0.12 -0.23 0.14 -0.36 0.00 0.00 175.35 174.78 1h1m s VAL 320 N 1.00 2.02 -0.11 4.02 -7.23 0.03 -0.29 120.40 119.84 1h1m s VAL 320 Ca -0.10 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 1h1m s VAL 320 Cb -0.14 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1h1m s VAL 320 CO -0.01 -0.03 0.61 -0.22 -0.31 0.00 0.00 175.10 175.14 1h1m s LEU 321 N -2.13 4.27 -0.04 1.32 2.96 0.74 -1.24 118.68 124.55 1h1m s LEU 321 Ca 0.12 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1h1m s LEU 321 Cb -0.09 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1h1m s LEU 321 CO 0.06 -0.11 -0.12 0.12 -1.32 0.00 0.00 176.35 174.97 1h1m s PHE 322 N 0.98 1.32 -0.00 5.38 5.36 0.36 -0.73 117.98 130.64 1h1m s PHE 322 Ca 0.32 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1h1m s PHE 322 Cb -0.16 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.58 1h1m s PHE 322 CO 0.14 -0.17 -0.10 0.54 -1.46 0.00 0.00 175.22 174.17 1h1m s VAL 323 N 0.28 0.79 -0.02 3.12 0.11 0.06 -1.52 120.40 123.22 1h1m s VAL 323 Ca -0.06 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1h1m s VAL 323 Cb -0.11 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1h1m s VAL 323 CO 0.02 0.19 0.05 -0.55 -3.33 0.00 0.00 175.10 171.49 1h1m s SER 324 N -0.32 -0.02 0.14 3.54 0.15 -0.51 -0.88 113.70 115.80 1h1m s SER 324 Ca 0.03 0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.51 1h1m s SER 324 Cb -0.04 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.26 1h1m s SER 324 CO -0.00 -0.06 0.86 -0.55 1.20 0.00 0.00 173.24 174.68 1h1m s SER 325 N 0.47 7.44 0.00 5.45 0.15 -0.16 -0.92 113.70 126.12 1h1m s SER 325 Ca -0.04 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1h1m s SER 325 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1h1m s SER 325 CO -0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1h1m n GLY 326 N 1.92 1.77 0.57 9.45 0.00 0.42 -3.89 105.19 115.42 1h1m n GLY 326 Ca -0.02 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.12 1h1m n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h1m n SER 327 N 0.00 2.02 -2.68 1.61 3.41 -1.26 -3.60 113.62 113.13 1h1m n SER 327 Ca 0.00 -1.52 -0.07 0.00 -0.26 0.00 0.00 58.87 57.02 1h1m n SER 327 Cb 0.00 0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1h1m n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1h1m n ASP 328 N 0.26 2.11 -2.07 4.04 8.00 -1.26 -4.88 116.55 122.75 1h1m n ASP 328 Ca 0.13 -2.50 -0.01 0.00 0.71 0.00 0.00 54.79 53.12 1h1m n ASP 328 Cb 0.46 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1h1m n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h1m n GLY 329 N -0.47 -1.00 0.27 0.44 0.00 -1.26 -4.58 105.19 98.59 1h1m n GLY 329 Ca 0.14 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.51 1h1m n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1h1m h LEU 330 N 0.00 -0.33 0.10 0.99 5.85 -1.97 -0.49 115.31 119.47 1h1m h LEU 330 Ca -0.01 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1h1m h LEU 330 Cb 0.04 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1h1m h LEU 330 CO 0.01 -0.17 -0.05 -2.24 -0.34 0.00 0.00 178.44 175.66 1h1m h ASP 331 N 0.11 -0.12 -0.54 1.25 2.03 -1.98 -1.00 116.42 116.17 1h1m h ASP 331 Ca 0.40 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1h1m h ASP 331 Cb 0.70 0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 39.20 1h1m h ASP 331 CO -0.64 -0.03 0.36 -0.61 -1.03 0.00 0.00 179.24 177.28 1h1m h GLN 332 N -0.19 0.71 -0.13 4.15 5.75 -1.82 0.24 115.11 123.82 1h1m h GLN 332 Ca -0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1h1m h GLN 332 Cb 0.16 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1h1m h GLN 332 CO 0.02 0.47 0.05 -0.97 -2.65 0.00 0.00 178.83 175.76 1h1m h ASN 333 N 0.73 0.18 -0.60 -0.69 -0.73 -0.51 0.32 115.58 114.28 1h1m h ASN 333 Ca 0.20 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 58.16 1h1m h ASN 333 Cb -0.08 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1h1m h ASN 333 CO -0.04 0.28 0.15 -0.07 -0.37 0.00 0.00 177.43 177.38 1h1m h LEU 334 N 0.06 0.91 -0.07 0.34 3.38 -0.84 -1.25 115.31 117.84 1h1m h LEU 334 Ca 0.04 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1h1m h LEU 334 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1h1m h LEU 334 CO -0.00 0.90 -0.03 0.58 0.09 0.00 0.00 178.44 179.98 1h1m h VAL 335 N 0.87 0.91 -0.12 1.22 2.07 -0.77 -1.03 116.25 119.40 1h1m h VAL 335 Ca 0.19 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 1h1m h VAL 335 Cb 0.35 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1h1m h VAL 335 CO 0.00 0.00 -0.05 0.78 0.02 0.00 0.00 177.57 178.32 1h1m h ASN 336 N -0.01 0.16 -0.20 0.57 2.35 -0.69 -1.21 115.58 116.55 1h1m h ASN 336 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1h1m h ASN 336 Cb 0.07 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1h1m h ASN 336 CO -0.08 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 1h1m n GLY 337 N -1.16 0.47 0.00 2.83 0.00 -0.49 -4.92 105.19 101.91 1h1m n GLY 337 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1h1m n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1m n GLY 338 N 1.17 7.20 3.03 -0.02 0.00 -0.43 -4.68 105.19 111.47 1h1m n GLY 338 Ca 0.16 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1h1m n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h1m s GLU 339 N 1.20 0.42 0.39 1.61 0.41 -0.82 -4.96 118.70 116.97 1h1m s GLU 339 Ca 0.00 -0.70 -0.26 0.00 -0.41 0.00 0.00 54.97 53.60 1h1m s GLU 339 Cb 0.00 0.16 -0.11 0.00 -1.78 0.00 0.00 34.13 32.40 1h1m s GLU 339 CO 0.00 -0.08 1.20 0.39 -0.49 0.00 0.00 175.26 176.28 1h1m n GLU 340 N 1.21 1.81 -3.84 1.61 1.02 -1.26 -0.87 120.64 120.33 1h1m n GLU 340 Ca -0.21 0.64 -0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1h1m n GLU 340 Cb 0.57 -2.26 -0.13 0.00 -0.02 0.00 0.00 31.44 29.59 1h1m n GLU 340 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1h1m s TRP 341 N -1.18 -0.10 -1.50 -0.32 -0.00 -0.16 -4.70 118.94 110.97 1h1m s TRP 341 Ca 0.60 0.25 0.20 0.00 -0.00 0.00 0.00 56.10 57.15 1h1m s TRP 341 Cb -0.54 0.02 0.66 0.00 -0.00 0.00 0.00 33.47 33.61 1h1m s TRP 341 CO 0.59 -0.05 1.56 -1.13 -0.00 0.00 0.00 176.95 177.92 1h1m n SER 342 N 3.09 4.25 -4.09 5.86 3.41 -1.26 -3.99 113.62 120.89 1h1m n SER 342 Ca -0.13 -2.21 -0.13 0.00 -0.26 0.00 0.00 58.87 56.14 1h1m n SER 342 Cb 0.59 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 1h1m n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1h1m s SER 343 N -0.98 0.97 0.08 4.04 0.15 -1.26 -5.00 113.70 111.69 1h1m s SER 343 Ca 0.48 -0.66 0.26 0.00 0.70 0.00 0.00 55.95 56.74 1h1m s SER 343 Cb 0.28 0.04 1.04 0.00 -1.71 0.00 0.00 66.02 65.67 1h1m s SER 343 CO 0.28 -0.26 1.83 1.33 1.20 0.00 0.00 173.24 177.62 1h1m n VAL 344 N 1.11 0.32 -4.04 4.45 0.24 -1.26 -4.81 118.33 114.34 1h1m n VAL 344 Ca -0.20 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1h1m n VAL 344 Cb 0.56 -0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 1h1m n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1h1m s SER 345 N -3.52 5.60 0.48 -1.34 0.01 -1.26 -5.03 113.70 108.64 1h1m s SER 345 Ca 0.12 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1h1m s SER 345 Cb 0.16 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.87 1h1m s SER 345 CO 0.52 0.18 0.68 0.72 0.41 0.00 0.00 173.24 175.75 1h1m s PHE 346 N -1.38 3.02 0.62 2.43 -0.12 -1.26 -5.02 117.98 116.26 1h1m s PHE 346 Ca 0.29 0.02 -0.18 0.00 -0.05 0.00 0.00 56.93 57.01 1h1m s PHE 346 Cb -0.12 -2.47 -0.03 0.00 -0.63 0.00 0.00 43.02 39.77 1h1m s PHE 346 CO 0.22 -0.55 1.15 -2.30 -0.05 0.00 0.00 175.22 173.69 1h1m n PRO 347 N -2.12 1.05 0.12 1.99 -0.02 -1.26 -4.91 135.00 129.85 1h1m n PRO 347 Ca 0.05 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1h1m n PRO 347 Cb 0.59 -2.37 0.45 0.00 -0.02 0.00 0.00 33.50 32.14 1h1m n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h1m n ALA 348 N -1.79 1.97 -2.39 3.55 0.00 -1.26 -4.77 120.51 115.82 1h1m n ALA 348 Ca 0.15 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1h1m n ALA 348 Cb 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1h1m n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h1m s ASP 349 N -4.44 3.23 0.00 0.00 1.01 -1.26 -5.29 116.67 109.92 1h1m s ASP 349 Ca 0.07 -0.71 0.20 0.00 0.71 0.00 0.00 52.55 52.82 1h1m s ASP 349 Cb 0.11 -0.23 1.19 0.00 1.01 0.00 0.00 42.92 45.00 1h1m s ASP 349 CO 0.50 0.19 1.58 0.79 0.21 0.00 0.00 175.17 178.44