#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h30 n GLY 3 N 0.00 0.44 3.76 0.46 0.00 -1.26 -5.05 105.19 103.53 3h30 n GLY 3 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 3h30 n GLY 3 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h30 s PRO 4 N -4.43 2.83 0.33 1.61 0.04 -1.25 -4.82 135.00 129.31 3h30 s PRO 4 Ca 0.48 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 3h30 s PRO 4 Cb -0.03 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3h30 s PRO 4 CO 0.32 -1.28 1.11 0.08 0.04 0.00 0.00 177.00 177.28 3h30 s VAL 5 N -1.93 3.45 0.73 -0.36 1.01 0.11 -4.98 120.40 118.44 3h30 s VAL 5 Ca 0.73 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.91 3h30 s VAL 5 Cb -0.26 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3h30 s VAL 5 CO 0.37 0.23 1.15 -2.84 0.00 0.00 0.00 175.10 174.01 3h30 s PRO 6 N -1.82 2.24 0.00 2.72 0.02 -1.26 -4.95 135.00 131.95 3h30 s PRO 6 Ca 0.49 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 3h30 s PRO 6 Cb -0.30 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3h30 s PRO 6 CO 0.38 -1.71 0.02 0.45 -0.33 0.00 0.00 177.00 175.81 3h30 s SER 7 N -2.46 0.09 0.05 2.53 0.15 -1.26 -5.10 113.70 107.70 3h30 s SER 7 Ca 0.69 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.15 3h30 s SER 7 Cb -0.24 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 3h30 s SER 7 CO 0.47 -0.19 -0.08 -0.13 1.20 0.00 0.00 173.24 174.51 3h30 s ARG 8 N -0.82 0.56 0.42 5.44 0.52 -1.26 -4.37 118.95 119.44 3h30 s ARG 8 Ca -0.09 -0.81 -0.25 0.00 -0.52 0.00 0.00 55.73 54.05 3h30 s ARG 8 Cb -0.06 -0.28 -0.10 0.00 0.52 0.00 0.00 34.95 35.03 3h30 s ARG 8 CO -0.00 0.04 1.19 0.00 0.02 0.00 0.00 175.30 176.55 3h30 n ALA 9 N 1.31 0.95 0.58 2.13 0.00 -1.26 -4.90 120.51 119.32 3h30 n ALA 9 Ca -0.22 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3h30 n ALA 9 Cb 0.55 -2.21 0.42 0.00 0.00 0.00 0.00 19.45 18.21 3h30 n ALA 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3h30 n ARG 10 N 0.05 0.26 -4.06 0.00 0.63 -1.26 -4.55 116.66 107.73 3h30 n ARG 10 Ca 0.08 0.25 -0.12 0.00 -0.92 0.00 0.00 57.85 57.14 3h30 n ARG 10 Cb 0.39 -1.82 -0.11 0.00 0.45 0.00 0.00 32.46 31.37 3h30 n ARG 10 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h30 s VAL 11 N -3.14 0.47 -1.14 5.15 -7.23 -1.26 -4.84 120.40 108.42 3h30 s VAL 11 Ca 0.10 -1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3h30 s VAL 11 Cb 0.12 -0.71 0.03 0.00 0.56 0.00 0.00 36.38 36.38 3h30 s VAL 11 CO 0.57 -0.48 0.22 -1.22 -0.31 0.00 0.00 175.10 173.88 3h30 n TYR 12 N 1.26 -1.61 -0.20 2.82 4.01 -1.26 -4.80 117.16 117.38 3h30 n TYR 12 Ca -0.21 0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 3h30 n TYR 12 Cb 0.56 -2.90 0.07 0.00 -0.31 0.00 0.00 39.34 36.75 3h30 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3h30 h THR 13 N -0.46 1.01 -0.14 -0.72 2.02 -1.88 -3.10 112.91 109.63 3h30 h THR 13 Ca -0.35 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3h30 h THR 13 Cb 1.25 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3h30 h THR 13 CO 0.42 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.90 3h30 n ASP 14 N -4.80 2.61 -0.28 4.18 8.00 -1.26 -4.34 116.55 120.66 3h30 n ASP 14 Ca 0.06 -2.34 0.04 0.00 0.71 0.00 0.00 54.79 53.26 3h30 n ASP 14 Cb 0.12 -0.22 0.18 0.00 -0.02 0.00 0.00 41.12 41.18 3h30 n ASP 14 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3h30 h VAL 15 N 0.86 0.82 -0.12 2.53 -1.51 -1.90 0.38 116.25 117.30 3h30 h VAL 15 Ca 0.00 -0.23 -0.12 0.00 -1.23 0.00 0.00 66.70 65.12 3h30 h VAL 15 Cb 0.79 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 3h30 h VAL 15 CO 0.03 0.12 -0.47 0.78 -1.23 0.00 0.00 177.57 176.80 3h30 h ASN 16 N 0.66 0.32 -0.80 4.19 -0.26 -1.84 -3.10 115.58 114.75 3h30 h ASN 16 Ca 0.40 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 3h30 h ASN 16 Cb 0.47 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 3h30 h ASN 16 CO -0.30 0.74 0.46 0.74 -1.06 0.00 0.00 177.43 178.02 3h30 h THR 17 N 0.24 1.23 -0.00 2.81 2.02 -1.32 -2.39 112.91 115.50 3h30 h THR 17 Ca 0.01 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3h30 h THR 17 Cb 0.92 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3h30 h THR 17 CO 0.08 0.25 -0.02 1.41 0.37 0.00 0.00 175.52 177.61 3h30 n HIS 18 N -4.36 0.00 -3.84 3.16 8.25 -0.39 -4.84 115.22 113.21 3h30 n HIS 18 Ca 0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.34 3h30 n HIS 18 Cb 0.08 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 3h30 n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3h30 s ARG 19 N -2.14 2.93 0.59 -0.41 0.52 -0.90 -5.08 118.95 114.45 3h30 s ARG 19 Ca 0.41 -1.12 -0.20 0.00 -0.52 0.00 0.00 55.73 54.30 3h30 s ARG 19 Cb 0.21 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 3h30 s ARG 19 CO 0.39 0.20 1.29 -2.14 0.02 0.00 0.00 175.30 175.07 3h30 s PRO 20 N -3.99 2.90 0.30 3.54 0.02 -1.26 -4.88 135.00 131.63 3h30 s PRO 20 Ca 0.39 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.51 3h30 s PRO 20 Cb -0.07 -2.03 0.79 0.00 0.02 0.00 0.00 34.50 33.21 3h30 s PRO 20 CO 0.27 -1.33 1.62 -0.09 -0.33 0.00 0.00 177.00 177.15 3h30 h ARG 21 N 1.01 0.15 0.00 5.54 2.43 -1.94 -1.20 114.38 120.36 3h30 h ARG 21 Ca -0.51 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3h30 h ARG 21 Cb 1.31 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3h30 h ARG 21 CO 0.55 0.10 -0.01 1.05 -1.51 0.00 0.00 179.97 180.15 3h30 h GLU 22 N 0.15 0.00 -0.73 0.20 4.11 -1.89 0.71 114.58 117.14 3h30 h GLU 22 Ca 0.60 0.00 0.07 0.00 0.07 0.00 0.00 59.36 60.10 3h30 h GLU 22 Cb 1.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 3h30 h GLU 22 CO -0.72 0.01 0.40 -0.92 0.07 0.00 0.00 179.01 177.85 3h30 h TYR 23 N 0.00 0.74 0.00 2.06 3.20 -1.57 -3.36 116.97 118.05 3h30 h TYR 23 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3h30 h TYR 23 Cb 0.28 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3h30 h TYR 23 CO 0.00 0.33 -0.88 -2.67 -1.64 0.00 0.00 178.16 173.30 3h30 n TRP 24 N -4.77 0.00 -1.88 -3.82 4.27 -0.80 -4.80 117.44 105.64 3h30 n TRP 24 Ca 0.10 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 3h30 n TRP 24 Cb 0.21 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 3h30 n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3h30 n ASP 25 N -1.47 4.06 0.24 -0.67 -0.08 0.18 -4.72 116.55 114.10 3h30 n ASP 25 Ca -0.00 -2.86 0.12 0.00 -1.51 0.00 0.00 54.79 50.54 3h30 n ASP 25 Cb 0.07 -1.67 0.57 0.00 2.34 0.00 0.00 41.12 42.42 3h30 n ASP 25 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 3h30 h TYR 26 N 6.25 0.00 -0.00 -0.67 -0.00 -1.87 -2.41 116.97 118.27 3h30 h TYR 26 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.28 3h30 h TYR 26 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.41 3h30 h TYR 26 CO 1.45 0.17 0.05 0.93 -0.00 0.00 0.00 178.16 180.76 3h30 h GLU 27 N 0.00 0.00 -0.23 0.10 5.08 -1.90 -1.07 114.58 116.56 3h30 h GLU 27 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3h30 h GLU 27 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3h30 h GLU 27 CO 0.02 0.00 -0.02 -1.13 -1.00 0.00 0.00 179.01 176.88 3h30 n SER 28 N -3.10 3.28 -4.83 1.42 3.41 -0.91 -5.01 113.62 107.89 3h30 n SER 28 Ca -0.03 -3.21 -0.33 0.00 -0.26 0.00 0.00 58.87 55.05 3h30 n SER 28 Cb 0.12 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 3h30 n SER 28 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3h30 s HIS 29 N -2.94 3.35 -0.07 7.33 5.04 -0.41 -5.08 115.29 122.51 3h30 s HIS 29 Ca 0.41 1.54 0.03 0.00 -1.54 0.00 0.00 55.06 55.49 3h30 s HIS 29 Cb 0.35 -2.84 0.01 0.00 0.04 0.00 0.00 32.58 30.14 3h30 s HIS 29 CO 0.06 -0.31 -0.14 0.08 -2.34 0.00 0.00 174.74 172.09 3h30 s VAL 30 N -2.40 1.30 -0.04 0.89 1.01 -1.26 -5.08 120.40 114.82 3h30 s VAL 30 Ca 0.61 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3h30 s VAL 30 Cb -0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3h30 s VAL 30 CO 0.23 0.39 1.03 -0.69 0.00 0.00 0.00 175.10 176.06 3h30 s VAL 31 N 0.63 4.72 -0.62 2.92 1.01 -1.26 -5.01 120.40 122.79 3h30 s VAL 31 Ca -0.15 1.96 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 3h30 s VAL 31 Cb -0.16 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.03 3h30 s VAL 31 CO 0.04 0.08 0.89 -1.61 0.00 0.00 0.00 175.10 174.51 3h30 s GLU 32 N 1.49 3.13 0.52 2.72 2.02 -1.26 -5.04 118.70 122.27 3h30 s GLU 32 Ca 0.52 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 54.47 3h30 s GLU 32 Cb -0.21 -4.20 -0.07 0.00 0.10 0.00 0.00 34.13 29.75 3h30 s GLU 32 CO 0.24 -1.67 1.05 -1.58 0.02 0.00 0.00 175.26 173.31 3h30 s TRP 33 N 3.69 2.97 0.16 1.61 0.52 -1.26 -4.71 118.94 121.91 3h30 s TRP 33 Ca 0.21 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.91 3h30 s TRP 33 Cb -0.18 -3.07 0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3h30 s TRP 33 CO 0.11 -0.97 0.19 0.41 0.02 0.00 0.00 176.95 176.71 3h30 n GLY 34 N -0.42 2.29 3.51 0.98 0.00 0.78 -5.00 105.19 107.34 3h30 n GLY 34 Ca 0.09 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3h30 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h30 s ASN 35 N -1.98 6.30 0.34 1.61 0.01 -1.26 -4.69 114.94 115.26 3h30 s ASN 35 Ca 0.14 -0.39 0.07 0.00 -0.71 0.00 0.00 52.86 51.98 3h30 s ASN 35 Cb -0.01 -2.30 0.77 0.00 0.41 0.00 0.00 41.25 40.12 3h30 s ASN 35 CO 0.09 -0.73 1.85 0.06 -1.51 0.00 0.00 177.10 176.87 3h30 h GLN 36 N 8.83 0.73 0.00 -0.60 3.07 -1.92 -1.51 115.11 123.70 3h30 h GLN 36 Ca -0.26 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.44 3h30 h GLN 36 Cb 1.10 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.50 3h30 h GLN 36 CO 0.87 0.48 0.00 -0.44 0.09 0.00 0.00 178.83 179.83 3h30 h ASP 37 N 0.75 0.00 1.14 0.06 5.19 -1.94 -1.48 116.42 120.14 3h30 h ASP 37 Ca 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 3h30 h ASP 37 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 3h30 h ASP 37 CO -0.24 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.32 3h30 h ASP 38 N 0.00 0.00 -3.67 6.45 3.32 -1.66 -3.44 116.42 117.41 3h30 h ASP 38 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3h30 h ASP 38 Cb 0.13 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.50 3h30 h ASP 38 CO 0.00 0.00 -0.72 -0.31 -1.72 0.00 0.00 179.24 176.49 3h30 s TYR 39 N -3.35 2.83 -0.05 4.55 2.02 -0.56 -0.32 117.35 122.47 3h30 s TYR 39 Ca 0.05 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3h30 s TYR 39 Cb 0.09 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3h30 s TYR 39 CO 0.51 0.35 -0.08 -0.65 -1.57 0.00 0.00 175.55 174.11 3h30 s GLN 40 N -1.42 1.17 0.15 -0.62 -0.21 -0.29 -4.96 119.66 113.47 3h30 s GLN 40 Ca 0.17 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 3h30 s GLN 40 Cb -0.11 -1.05 -0.07 0.00 1.00 0.00 0.00 33.01 32.78 3h30 s GLN 40 CO 0.07 0.01 1.05 -0.51 -2.12 0.00 0.00 175.29 173.78 3h30 s LEU 41 N 0.64 4.49 -0.26 2.90 1.43 -1.26 -0.14 118.68 126.48 3h30 s LEU 41 Ca -0.11 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 3h30 s LEU 41 Cb -0.14 -3.60 -0.14 0.00 0.03 0.00 0.00 46.19 42.35 3h30 s LEU 41 CO 0.02 -0.16 -0.24 0.52 0.23 0.00 0.00 176.35 176.72 3h30 n VAL 42 N 2.56 1.53 -3.53 -1.59 0.31 0.13 -4.92 118.33 112.82 3h30 n VAL 42 Ca 0.03 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 3h30 n VAL 42 Cb 0.47 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 3h30 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h30 s ARG 43 N -2.49 1.38 -0.21 5.55 1.70 -1.15 -5.00 118.95 118.73 3h30 s ARG 43 Ca -0.37 -0.59 -0.21 0.00 -0.47 0.00 0.00 55.73 54.10 3h30 s ARG 43 Cb 0.13 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 35.07 3h30 s ARG 43 CO 0.52 -0.61 0.63 0.21 -1.08 0.00 0.00 175.30 174.97 3h30 s LYS 44 N -3.76 4.19 -0.14 3.89 2.20 -1.26 -0.43 119.74 124.42 3h30 s LYS 44 Ca 0.04 0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 56.09 3h30 s LYS 44 Cb -0.02 -3.59 -0.24 0.00 -1.51 0.00 0.00 37.83 32.47 3h30 s LYS 44 CO -0.08 -0.27 0.40 -0.07 -0.36 0.00 0.00 175.35 174.97 3h30 h LEU 45 N 8.31 0.25 -7.27 5.43 3.38 -1.48 -3.48 115.31 120.46 3h30 h LEU 45 Ca -0.31 -0.77 0.36 0.00 0.09 0.00 0.00 57.88 57.25 3h30 h LEU 45 Cb 1.14 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 3h30 h LEU 45 CO 0.77 1.62 0.90 -0.83 0.09 0.00 0.00 178.44 181.00 3h30 s GLY 46 N -5.07 -0.40 -0.03 0.83 0.00 -0.92 -5.01 107.32 96.71 3h30 s GLY 46 Ca -0.23 0.69 0.03 0.00 0.00 0.00 0.00 44.72 45.20 3h30 s GLY 46 CO 0.71 1.07 -0.11 1.09 0.00 0.00 0.00 173.10 175.86 3h30 s ARG 47 N -2.22 1.16 0.00 2.90 1.70 -1.26 -0.38 118.95 120.85 3h30 s ARG 47 Ca 0.17 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.06 3h30 s ARG 47 Cb 0.05 -1.05 0.00 0.00 -0.57 0.00 0.00 34.95 33.38 3h30 s ARG 47 CO -0.04 0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 3h30 n GLY 48 N 3.31 5.10 0.06 3.88 0.00 -0.39 -5.01 105.19 112.14 3h30 n GLY 48 Ca -0.19 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 3h30 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h30 h LYS 49 N 0.00 -0.14 -0.36 1.61 1.57 -2.03 -3.39 116.57 113.84 3h30 h LYS 49 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3h30 h LYS 49 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3h30 h LYS 49 CO 0.00 -0.09 0.02 0.66 -0.57 0.00 0.00 179.45 179.47 3h30 n TYR 50 N -2.87 1.27 -3.58 -1.35 4.01 -1.26 -4.95 117.16 108.43 3h30 n TYR 50 Ca -0.02 -0.96 -0.10 0.00 -0.16 0.00 0.00 57.90 56.66 3h30 n TYR 50 Cb 0.06 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.66 3h30 n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3h30 s SER 51 N -1.75 -0.44 -0.05 7.72 1.04 -1.26 0.60 113.70 119.55 3h30 s SER 51 Ca 0.46 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.70 3h30 s SER 51 Cb 0.37 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.12 3h30 s SER 51 CO 0.09 -1.07 -0.15 -1.61 0.98 0.00 0.00 173.24 171.48 3h30 s GLU 52 N -3.81 1.69 -0.10 4.02 2.02 -0.82 -1.26 118.70 120.44 3h30 s GLU 52 Ca 0.05 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.50 3h30 s GLU 52 Cb -0.02 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 3h30 s GLU 52 CO -0.07 0.18 -0.10 0.08 0.02 0.00 0.00 175.26 175.37 3h30 s VAL 53 N 0.19 3.36 0.15 2.63 1.01 0.49 -0.90 120.40 127.34 3h30 s VAL 53 Ca -0.06 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3h30 s VAL 53 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3h30 s VAL 53 CO 0.02 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 3h30 s PHE 54 N -0.17 1.45 0.14 5.22 0.08 0.13 -1.16 117.98 123.68 3h30 s PHE 54 Ca 0.01 -0.61 -0.21 0.00 0.12 0.00 0.00 56.93 56.23 3h30 s PHE 54 Cb -0.13 -0.73 -0.08 0.00 -0.57 0.00 0.00 43.02 41.51 3h30 s PHE 54 CO 0.03 0.19 0.68 -2.00 -0.10 0.00 0.00 175.22 174.02 3h30 s GLU 55 N -3.20 4.35 0.28 0.44 2.12 0.43 -0.45 118.70 122.66 3h30 s GLU 55 Ca 0.14 0.92 -0.05 0.00 0.36 0.00 0.00 54.97 56.34 3h30 s GLU 55 Cb -0.02 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3h30 s GLU 55 CO 0.03 0.55 0.39 0.00 -0.54 0.00 0.00 175.26 175.70 3h30 s ALA 56 N -1.23 0.54 0.02 6.30 0.00 0.04 0.21 121.76 127.64 3h30 s ALA 56 Ca 0.35 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3h30 s ALA 56 Cb -0.20 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 3h30 s ALA 56 CO 0.22 -0.76 -0.09 -1.50 0.00 0.00 0.00 175.76 173.63 3h30 s ILE 57 N -3.66 0.67 -0.40 0.00 2.07 0.80 -1.06 121.20 119.63 3h30 s ILE 57 Ca 0.30 -0.66 -0.24 0.00 -1.41 0.00 0.00 60.65 58.64 3h30 s ILE 57 Cb 0.01 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 42.00 3h30 s ILE 57 CO 0.15 -0.02 0.84 0.21 -1.91 0.00 0.00 174.94 174.20 3h30 s ASN 58 N -0.75 6.55 0.00 4.50 3.84 -0.31 -1.14 114.94 127.63 3h30 s ASN 58 Ca -0.01 0.29 0.29 0.00 0.21 0.00 0.00 52.86 53.63 3h30 s ASN 58 Cb -0.06 -2.42 1.42 0.00 -0.55 0.00 0.00 41.25 39.65 3h30 s ASN 58 CO 0.00 -0.84 1.98 2.30 -2.79 0.00 0.00 177.10 177.75 3h30 n ILE 59 N 5.99 0.06 0.05 -5.21 -5.35 0.56 0.19 119.36 115.66 3h30 n ILE 59 Ca 0.04 0.02 -0.06 0.00 -0.27 0.00 0.00 62.75 62.48 3h30 n ILE 59 Cb 0.48 -0.54 0.12 0.00 -1.74 0.00 0.00 39.64 37.96 3h30 n ILE 59 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3h30 h THR 60 N 0.00 1.34 0.00 7.28 1.35 -1.93 -3.37 112.91 117.57 3h30 h THR 60 Ca 0.00 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 3h30 h THR 60 Cb 0.29 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3h30 h THR 60 CO 0.00 0.53 0.00 -0.46 -0.25 0.00 0.00 175.52 175.34 3h30 n ASN 61 N -3.96 0.21 -2.12 5.36 0.23 -1.13 -5.02 115.26 108.82 3h30 n ASN 61 Ca -0.02 -1.10 -0.18 0.00 -0.53 0.00 0.00 54.58 52.74 3h30 n ASN 61 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.23 3h30 n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3h30 n ASN 62 N -0.05 -5.17 -4.68 0.53 4.13 0.13 -4.95 115.26 105.19 3h30 n ASN 62 Ca 0.00 0.18 -0.43 0.00 1.68 0.00 0.00 54.58 56.01 3h30 n ASN 62 Cb 0.45 -4.42 -0.02 0.00 -1.54 0.00 0.00 39.78 34.25 3h30 n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3h30 s GLU 63 N -4.56 4.36 0.22 3.52 2.12 -1.13 -4.82 118.70 118.41 3h30 s GLU 63 Ca 0.00 1.43 -0.30 0.00 0.36 0.00 0.00 54.97 56.47 3h30 s GLU 63 Cb 0.00 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 3h30 s GLU 63 CO 0.00 -0.43 1.27 0.15 -0.54 0.00 0.00 175.26 175.71 3h30 s LYS 64 N 2.41 4.43 0.20 4.30 1.02 -1.26 -1.16 119.74 129.68 3h30 s LYS 64 Ca 0.49 2.01 0.01 0.00 0.02 0.00 0.00 55.97 58.50 3h30 s LYS 64 Cb -0.18 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3h30 s LYS 64 CO 0.15 -0.17 0.06 0.14 -0.92 0.00 0.00 175.35 174.61 3h30 s VAL 65 N -0.16 0.44 -0.11 3.17 -7.23 -0.22 -3.72 120.40 112.57 3h30 s VAL 65 Ca 0.54 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3h30 s VAL 65 Cb -0.36 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3h30 s VAL 65 CO 0.40 -0.26 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.14 3h30 s VAL 66 N -3.83 3.37 -0.15 1.32 1.01 -0.19 -0.78 120.40 121.15 3h30 s VAL 66 Ca 0.30 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h30 s VAL 66 Cb 0.07 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3h30 s VAL 66 CO 0.08 0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 3h30 s VAL 67 N -0.07 2.05 -0.32 2.92 1.01 0.40 -0.05 120.40 126.33 3h30 s VAL 67 Ca -0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3h30 s VAL 67 Cb -0.14 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3h30 s VAL 67 CO 0.03 0.54 0.11 -0.75 0.00 0.00 0.00 175.10 175.03 3h30 s LYS 68 N 0.99 2.93 -0.29 2.72 2.20 0.66 -0.70 119.74 128.25 3h30 s LYS 68 Ca -0.03 -0.98 -0.18 0.00 -0.36 0.00 0.00 55.97 54.43 3h30 s LYS 68 Cb -0.15 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3h30 s LYS 68 CO -0.06 -0.54 0.52 0.42 -0.36 0.00 0.00 175.35 175.33 3h30 s ILE 69 N 1.48 5.04 0.19 5.43 1.01 -0.08 -0.10 121.20 134.18 3h30 s ILE 69 Ca 0.01 0.71 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 3h30 s ILE 69 Cb -0.18 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 3h30 s ILE 69 CO 0.03 -0.02 1.06 -0.76 0.00 0.00 0.00 174.94 175.25 3h30 s LEU 70 N 2.36 4.52 0.44 2.97 1.02 -0.33 -1.95 118.68 127.70 3h30 s LEU 70 Ca 0.21 2.06 -0.12 0.00 0.02 0.00 0.00 54.13 56.29 3h30 s LEU 70 Cb -0.15 -3.61 -0.07 0.00 0.02 0.00 0.00 46.19 42.38 3h30 s LEU 70 CO 0.11 -0.14 0.83 -0.54 0.02 0.00 0.00 176.35 176.63 3h30 s LYS 71 N -0.56 3.82 -0.09 1.70 1.02 0.20 -4.60 119.74 121.24 3h30 s LYS 71 Ca 0.47 0.60 -0.37 0.00 0.02 0.00 0.00 55.97 56.70 3h30 s LYS 71 Cb -0.28 -2.31 -0.14 0.00 -0.52 0.00 0.00 37.83 34.57 3h30 s LYS 71 CO 0.35 -0.11 1.69 -2.30 -0.92 0.00 0.00 175.35 174.06 3h30 n PRO 72 N -1.41 1.64 -4.17 -1.68 -0.02 -1.26 -4.88 135.00 123.22 3h30 n PRO 72 Ca 0.04 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3h30 n PRO 72 Cb 0.54 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 3h30 n PRO 72 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h30 s VAL 73 N 2.77 0.05 -0.46 -1.45 0.11 -1.26 -5.09 120.40 115.08 3h30 s VAL 73 Ca 0.91 -1.95 -0.43 0.00 -2.93 0.00 0.00 61.98 57.58 3h30 s VAL 73 Cb -0.87 -2.26 -0.18 0.00 -1.53 0.00 0.00 36.38 31.54 3h30 s VAL 73 CO 0.54 -0.24 1.97 0.29 -3.33 0.00 0.00 175.10 174.32 3h30 n LYS 74 N -0.18 0.25 -0.04 1.54 5.02 -1.26 -4.80 118.16 118.70 3h30 n LYS 74 Ca -0.02 0.08 0.22 0.00 -2.02 0.00 0.00 58.31 56.57 3h30 n LYS 74 Cb 0.65 -1.68 0.70 0.00 -0.02 0.00 0.00 35.03 34.67 3h30 n LYS 74 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3h30 h LYS 75 N 8.24 0.00 -0.66 1.97 1.57 -2.01 0.21 116.57 125.89 3h30 h LYS 75 Ca -0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 3h30 h LYS 75 Cb 1.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 3h30 h LYS 75 CO 1.04 0.00 0.25 1.57 -0.57 0.00 0.00 179.45 181.74 3h30 h LYS 76 N 0.00 0.98 -0.12 3.15 2.10 -2.00 -2.76 116.57 117.93 3h30 h LYS 76 Ca 0.29 -0.17 -0.09 0.00 -2.00 0.00 0.00 60.65 58.68 3h30 h LYS 76 Cb 1.16 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 3h30 h LYS 76 CO -0.00 0.81 -0.31 0.87 -2.00 0.00 0.00 179.45 178.81 3h30 h LYS 77 N 0.96 0.22 0.19 0.07 1.79 -0.94 -1.41 116.57 117.45 3h30 h LYS 77 Ca 0.22 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3h30 h LYS 77 Cb 0.21 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3h30 h LYS 77 CO -0.02 0.52 -0.09 0.82 -1.08 0.00 0.00 179.45 179.60 3h30 h ILE 78 N 0.20 0.86 -0.77 1.86 1.08 -1.39 -1.33 117.51 118.02 3h30 h ILE 78 Ca 0.03 -0.23 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 3h30 h ILE 78 Cb 0.66 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 3h30 h ILE 78 CO 0.05 0.05 0.51 0.11 -0.69 0.00 0.00 178.15 178.18 3h30 h LYS 79 N -0.37 0.81 0.13 2.37 1.57 -1.32 -1.29 116.57 118.47 3h30 h LYS 79 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3h30 h LYS 79 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3h30 h LYS 79 CO 0.04 0.54 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.31 3h30 h ARG 80 N 0.84 -0.17 -0.30 3.15 2.43 -0.88 -0.55 114.38 118.89 3h30 h ARG 80 Ca 0.33 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3h30 h ARG 80 Cb 0.23 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3h30 h ARG 80 CO -0.11 0.04 0.14 1.49 -1.51 0.00 0.00 179.97 180.02 3h30 h GLU 81 N -0.36 0.44 -0.16 0.20 4.81 -1.04 -1.51 114.58 116.96 3h30 h GLU 81 Ca -0.02 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3h30 h GLU 81 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3h30 h GLU 81 CO 0.03 0.43 0.05 0.82 -0.73 0.00 0.00 179.01 179.60 3h30 h ILE 82 N 0.35 0.95 -0.67 2.32 2.04 -1.16 -0.31 117.51 121.04 3h30 h ILE 82 Ca 0.10 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3h30 h ILE 82 Cb 0.14 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3h30 h ILE 82 CO -0.01 0.02 0.28 0.50 0.00 0.00 0.00 178.15 178.94 3h30 h LYS 83 N 0.12 0.98 0.10 2.37 1.63 -1.01 -0.46 116.57 120.30 3h30 h LYS 83 Ca 0.07 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3h30 h LYS 83 Cb 0.05 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3h30 h LYS 83 CO -0.08 0.81 -0.05 0.82 -3.45 0.00 0.00 179.45 177.50 3h30 h ILE 84 N 0.93 0.91 -0.85 2.00 2.04 -0.94 -0.09 117.51 121.51 3h30 h ILE 84 Ca 0.22 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3h30 h ILE 84 Cb 0.18 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3h30 h ILE 84 CO -0.02 0.01 0.52 -0.07 0.00 0.00 0.00 178.15 178.59 3h30 h LEU 85 N -0.14 1.01 -0.54 1.44 3.38 -0.80 -0.89 115.31 118.77 3h30 h LEU 85 Ca -0.01 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3h30 h LEU 85 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3h30 h LEU 85 CO 0.02 0.77 0.02 -0.33 0.09 0.00 0.00 178.44 179.01 3h30 h GLU 86 N 1.17 0.94 -0.19 1.13 5.08 -0.84 -2.05 114.58 119.81 3h30 h GLU 86 Ca 0.31 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3h30 h GLU 86 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3h30 h GLU 86 CO -0.06 0.95 0.05 -0.91 -1.00 0.00 0.00 179.01 178.04 3h30 h ASN 87 N 0.82 0.24 0.45 1.42 2.35 -0.24 -3.04 115.58 117.58 3h30 h ASN 87 Ca 0.15 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3h30 h ASN 87 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3h30 h ASN 87 CO 0.02 0.24 -0.73 0.18 -1.65 0.00 0.00 177.43 175.50 3h30 n LEU 88 N -4.43 0.62 -4.63 1.61 4.77 -0.41 -4.95 117.00 109.58 3h30 n LEU 88 Ca -0.00 -0.05 -0.49 0.00 -0.03 0.00 0.00 56.01 55.44 3h30 n LEU 88 Cb 0.14 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 3h30 n LEU 88 CO 0.36 0.10 1.03 -1.14 -1.33 0.00 0.00 177.39 176.41 3h30 n ARG 89 N -1.69 1.65 -0.18 3.23 0.63 -0.80 -0.34 116.66 119.16 3h30 n ARG 89 Ca 0.04 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 3h30 n ARG 89 Cb 0.37 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.00 3h30 n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h30 n GLY 90 N 2.88 1.13 3.76 5.14 0.00 -1.26 -5.06 105.19 111.78 3h30 n GLY 90 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3h30 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h30 s GLY 91 N -1.79 2.58 0.11 -0.02 0.00 0.54 -4.97 107.32 103.78 3h30 s GLY 91 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 44.72 45.25 3h30 s GLY 91 CO 0.00 1.21 1.55 2.56 0.00 0.00 0.00 173.10 178.42 3h30 s PRO 92 N -3.45 4.23 -1.75 2.90 0.04 -1.26 -3.21 135.00 132.50 3h30 s PRO 92 Ca 0.73 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3h30 s PRO 92 Cb -0.26 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3h30 s PRO 92 CO 0.32 -0.61 0.00 0.09 0.04 0.00 0.00 177.00 176.83 3h30 n ASN 93 N 4.60 -5.18 -4.48 6.66 3.02 -1.26 -3.68 115.26 114.94 3h30 n ASN 93 Ca 0.14 0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.62 3h30 n ASN 93 Cb 0.40 -4.26 -0.13 0.00 -0.61 0.00 0.00 39.78 35.19 3h30 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h30 s ILE 94 N -2.76 3.47 0.37 2.41 1.01 -1.20 -0.14 121.20 124.37 3h30 s ILE 94 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 3h30 s ILE 94 Cb 0.00 -2.45 -0.11 0.00 0.01 0.00 0.00 42.46 39.91 3h30 s ILE 94 CO 0.00 0.55 1.35 0.00 0.00 0.00 0.00 174.94 176.84 3h30 n ILE 95 N 2.95 2.12 -3.55 2.92 0.13 -1.13 -4.80 119.36 118.01 3h30 n ILE 95 Ca -0.18 -0.50 -0.40 0.00 -1.10 0.00 0.00 62.75 60.57 3h30 n ILE 95 Cb 0.53 -1.71 -0.11 0.00 -0.84 0.00 0.00 39.64 37.51 3h30 n ILE 95 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 3h30 s THR 96 N -1.12 5.21 -0.54 9.51 2.01 -1.26 -4.82 115.64 124.63 3h30 s THR 96 Ca 0.56 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 3h30 s THR 96 Cb -0.52 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.36 3h30 s THR 96 CO 0.62 0.03 1.21 -0.22 -0.69 0.00 0.00 174.62 175.57 3h30 s LEU 97 N 1.71 3.50 0.08 4.42 2.96 -1.26 -1.79 118.68 128.30 3h30 s LEU 97 Ca 0.06 0.27 0.16 0.00 -0.22 0.00 0.00 54.13 54.40 3h30 s LEU 97 Cb -0.17 -3.29 -0.12 0.00 0.50 0.00 0.00 46.19 43.11 3h30 s LEU 97 CO 0.10 -1.44 0.88 0.00 -1.32 0.00 0.00 176.35 174.58 3h30 h ALA 98 N 9.68 0.66 -2.63 5.97 0.00 -1.01 -3.48 119.26 128.44 3h30 h ALA 98 Ca -0.25 -0.85 0.12 0.00 0.00 0.00 0.00 54.91 53.94 3h30 h ALA 98 Cb 1.06 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 3h30 h ALA 98 CO 1.16 0.93 0.43 0.34 0.00 0.00 0.00 179.25 182.11 3h30 s ASP 99 N -5.88 -0.11 -0.04 0.00 3.68 -0.96 -5.02 116.67 108.34 3h30 s ASP 99 Ca -0.02 -0.65 -0.02 0.00 2.13 0.00 0.00 52.55 53.99 3h30 s ASP 99 Cb 0.09 0.60 0.03 0.00 -1.45 0.00 0.00 42.92 42.19 3h30 s ASP 99 CO 0.81 -1.15 0.07 -0.51 0.13 0.00 0.00 175.17 174.51 3h30 s ILE 100 N -2.93 -0.11 0.36 4.11 2.07 -1.26 -1.63 121.20 121.81 3h30 s ILE 100 Ca 0.15 0.35 0.05 0.00 -1.41 0.00 0.00 60.65 59.79 3h30 s ILE 100 Cb -0.03 -0.16 -0.07 0.00 0.13 0.00 0.00 42.46 42.33 3h30 s ILE 100 CO 0.06 0.14 0.04 0.68 -1.91 0.00 0.00 174.94 173.95 3h30 s VAL 101 N 1.83 1.47 -0.02 4.00 -7.23 -0.02 -0.16 120.40 120.27 3h30 s VAL 101 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3h30 s VAL 101 Cb -0.12 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 3h30 s VAL 101 CO -0.04 0.00 0.21 -0.54 -0.31 0.00 0.00 175.10 174.42 3h30 s LYS 102 N -3.83 3.48 -0.02 4.82 1.02 -1.26 0.50 119.74 124.45 3h30 s LYS 102 Ca 0.36 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 3h30 s LYS 102 Cb 0.09 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 3h30 s LYS 102 CO 0.16 0.68 1.38 0.34 -0.92 0.00 0.00 175.35 176.99 3h30 s ASP 103 N -1.77 6.87 0.30 2.83 2.15 0.11 -4.77 116.67 122.39 3h30 s ASP 103 Ca 0.26 2.05 0.05 0.00 0.43 0.00 0.00 52.55 55.34 3h30 s ASP 103 Cb -0.13 -2.56 0.75 0.00 -0.30 0.00 0.00 42.92 40.69 3h30 s ASP 103 CO 0.16 -0.72 1.74 -0.65 -0.17 0.00 0.00 175.17 175.53 3h30 h PRO 104 N 7.93 0.58 0.00 4.34 0.11 -1.97 -0.02 132.00 142.97 3h30 h PRO 104 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3h30 h PRO 104 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3h30 h PRO 104 CO 0.91 0.39 0.00 0.28 -0.21 0.00 0.00 178.00 179.37 3h30 n VAL 105 N -4.88 0.00 0.87 3.15 0.31 -1.26 -4.45 118.33 112.07 3h30 n VAL 105 Ca 0.23 0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.96 3h30 n VAL 105 Cb 0.62 -0.58 0.54 0.00 -0.91 0.00 0.00 33.84 33.51 3h30 n VAL 105 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3h30 n SER 106 N -0.64 0.02 -1.58 4.52 7.64 -1.24 -4.89 113.62 117.45 3h30 n SER 106 Ca 0.00 0.50 -0.19 0.00 1.01 0.00 0.00 58.87 60.19 3h30 n SER 106 Cb 0.00 -0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 62.62 3h30 n SER 106 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3h30 n ARG 107 N -1.52 -1.36 -1.82 1.43 1.85 -0.02 -4.97 116.66 110.25 3h30 n ARG 107 Ca 0.06 1.14 -0.31 0.00 -1.00 0.00 0.00 57.85 57.74 3h30 n ARG 107 Cb 0.30 -5.49 0.02 0.00 -1.05 0.00 0.00 32.46 26.24 3h30 n ARG 107 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3h30 s THR 108 N -2.75 4.35 0.34 8.89 -4.23 -1.26 -4.51 115.64 116.48 3h30 s THR 108 Ca 0.00 0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 61.06 3h30 s THR 108 Cb 0.00 -3.63 -0.09 0.00 1.34 0.00 0.00 72.50 70.11 3h30 s THR 108 CO 0.00 -0.94 1.19 -2.84 -0.54 0.00 0.00 174.62 171.49 3h30 s PRO 109 N -4.93 4.34 -0.20 3.99 0.02 -1.26 0.06 135.00 137.03 3h30 s PRO 109 Ca 0.57 1.96 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3h30 s PRO 109 Cb -0.12 -2.97 0.04 0.00 0.02 0.00 0.00 34.50 31.46 3h30 s PRO 109 CO 0.51 -0.10 -0.15 0.00 -0.33 0.00 0.00 177.00 176.93 3h30 s ALA 110 N -1.24 2.22 -0.17 -1.55 0.00 0.18 -1.19 121.76 120.02 3h30 s ALA 110 Ca 0.50 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 3h30 s ALA 110 Cb -0.34 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 3h30 s ALA 110 CO 0.44 -0.67 0.69 -0.51 0.00 0.00 0.00 175.76 175.71 3h30 s LEU 111 N 1.31 4.18 -0.24 0.00 1.43 0.85 -0.84 118.68 125.37 3h30 s LEU 111 Ca 0.00 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 53.98 3h30 s LEU 111 Cb -0.15 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 3h30 s LEU 111 CO -0.10 -0.27 0.15 -0.69 0.23 0.00 0.00 176.35 175.67 3h30 s VAL 112 N 1.77 5.20 0.13 -1.59 1.01 -0.64 -0.24 120.40 126.04 3h30 s VAL 112 Ca 0.32 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.51 3h30 s VAL 112 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3h30 s VAL 112 CO 0.12 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 175.07 3h30 s PHE 113 N 1.16 2.63 0.48 5.22 0.08 0.93 -0.35 117.98 128.14 3h30 s PHE 113 Ca 0.07 -0.22 -0.19 0.00 0.12 0.00 0.00 56.93 56.71 3h30 s PHE 113 Cb -0.14 -1.35 -0.14 0.00 -0.57 0.00 0.00 43.02 40.82 3h30 s PHE 113 CO 0.05 0.44 0.09 -0.85 -0.10 0.00 0.00 175.22 174.85 3h30 n GLU 114 N 0.51 0.13 -2.39 0.44 0.28 -0.74 -1.02 120.64 117.85 3h30 n GLU 114 Ca -0.13 0.05 -0.41 0.00 -0.16 0.00 0.00 57.16 56.51 3h30 n GLU 114 Cb 0.53 -1.16 -0.04 0.00 1.43 0.00 0.00 31.44 32.21 3h30 n GLU 114 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3h30 s HIS 115 N -1.84 3.45 0.00 -1.84 5.65 -1.24 -4.00 115.29 115.48 3h30 s HIS 115 Ca 0.60 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.50 3h30 s HIS 115 Cb -0.53 -3.39 -0.00 0.00 -1.18 0.00 0.00 32.58 27.48 3h30 s HIS 115 CO 0.63 -0.93 -0.02 0.08 -0.65 0.00 0.00 174.74 173.85 3h30 s VAL 116 N -0.88 0.09 0.40 0.89 1.01 -1.26 -4.97 120.40 115.69 3h30 s VAL 116 Ca 0.47 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 3h30 s VAL 116 Cb -0.33 -0.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.82 3h30 s VAL 116 CO 0.42 -0.09 1.29 -3.20 0.00 0.00 0.00 175.10 173.52 3h30 n ASN 117 N 2.74 2.69 -1.85 3.32 5.15 -1.26 -4.90 115.26 121.15 3h30 n ASN 117 Ca -0.15 1.14 -0.12 0.00 -0.60 0.00 0.00 54.58 54.86 3h30 n ASN 117 Cb 0.59 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 3h30 n ASN 117 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3h30 n ASN 118 N 0.34 5.90 -4.08 1.20 5.15 -1.26 -4.62 115.26 117.89 3h30 n ASN 118 Ca 0.06 -2.77 -0.31 0.00 -0.60 0.00 0.00 54.58 50.95 3h30 n ASN 118 Cb 0.39 -1.16 -0.16 0.00 -0.53 0.00 0.00 39.78 38.31 3h30 n ASN 118 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3h30 s THR 119 N -1.01 1.80 0.29 -0.44 -4.23 -1.26 -5.08 115.64 105.72 3h30 s THR 119 Ca 0.30 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 60.00 3h30 s THR 119 Cb 0.19 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 3h30 s THR 119 CO -0.03 0.50 0.52 1.51 -0.54 0.00 0.00 174.62 176.57 3h30 s ASP 120 N 1.26 6.37 0.35 3.99 1.47 -1.26 -0.49 116.67 128.37 3h30 s ASP 120 Ca 0.02 0.55 0.10 0.00 1.18 0.00 0.00 52.55 54.40 3h30 s ASP 120 Cb -0.13 -2.07 0.86 0.00 -0.34 0.00 0.00 42.92 41.23 3h30 s ASP 120 CO -0.09 -0.20 1.83 0.15 0.68 0.00 0.00 175.17 177.54 3h30 h PHE 121 N 1.40 0.84 -0.07 2.11 3.57 0.00 -1.37 116.94 123.42 3h30 h PHE 121 Ca -0.48 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.06 3h30 h PHE 121 Cb 1.20 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 3h30 h PHE 121 CO 0.55 0.24 0.05 -0.22 -2.23 0.00 0.00 178.31 176.70 3h30 h LYS 122 N 0.65 0.00 0.00 1.11 3.64 -1.82 0.19 116.57 120.34 3h30 h LYS 122 Ca 0.50 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.84 3h30 h LYS 122 Cb 0.91 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3h30 h LYS 122 CO -0.26 0.00 -0.20 1.96 -2.27 0.00 0.00 179.45 178.68 3h30 h GLN 123 N 0.00 0.00 0.00 1.90 4.20 -1.60 -3.34 115.11 116.27 3h30 h GLN 123 Ca 0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3h30 h GLN 123 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3h30 h GLN 123 CO -0.00 0.20 -1.62 1.28 -0.67 0.00 0.00 178.83 178.01 3h30 n LEU 124 N -3.32 0.00 0.14 1.46 4.77 -0.55 -4.84 117.00 114.65 3h30 n LEU 124 Ca 0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3h30 n LEU 124 Cb 0.44 0.17 0.45 0.00 -2.33 0.00 0.00 43.42 42.16 3h30 n LEU 124 CO 0.33 0.17 0.88 0.10 -1.33 0.00 0.00 177.39 177.54 3h30 h TYR 125 N 0.00 0.00 -0.00 -1.77 -0.00 -0.80 -1.67 116.97 112.73 3h30 h TYR 125 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.54 3h30 h TYR 125 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3h30 h TYR 125 CO 0.00 0.00 -0.10 1.04 -0.00 0.00 0.00 178.16 179.10 3h30 n GLN 126 N -2.38 0.46 -0.96 0.10 1.13 -1.26 -4.09 117.38 110.38 3h30 n GLN 126 Ca 0.03 -0.12 0.05 0.00 -1.94 0.00 0.00 57.00 55.03 3h30 n GLN 126 Cb 0.34 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 29.31 3h30 n GLN 126 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3h30 n THR 127 N -1.17 1.25 -2.44 5.09 -2.24 -0.63 -4.97 114.28 109.17 3h30 n THR 127 Ca 0.12 -2.24 -0.29 0.00 -2.27 0.00 0.00 64.05 59.37 3h30 n THR 127 Cb 0.28 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 3h30 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h30 s LEU 128 N -1.84 3.56 0.79 3.22 1.43 -1.24 -5.09 118.68 119.52 3h30 s LEU 128 Ca 0.35 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 3h30 s LEU 128 Cb 0.37 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.52 3h30 s LEU 128 CO -0.11 -0.62 1.09 0.42 0.23 0.00 0.00 176.35 177.35 3h30 s THR 129 N -2.78 3.23 0.22 5.49 -4.23 -1.26 -4.87 115.64 111.44 3h30 s THR 129 Ca 0.51 0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 61.32 3h30 s THR 129 Cb -0.10 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.89 3h30 s THR 129 CO 0.43 -0.52 1.67 -0.78 -0.54 0.00 0.00 174.62 174.88 3h30 h ASP 130 N -1.11 -0.23 -0.07 3.99 3.58 -1.93 -1.25 116.42 119.40 3h30 h ASP 130 Ca -0.46 0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.15 3h30 h ASP 130 Cb 1.25 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 3h30 h ASP 130 CO 0.56 -0.10 0.01 0.22 -2.88 0.00 0.00 179.24 177.05 3h30 h TYR 131 N 0.14 0.02 -0.21 0.28 3.20 -1.94 -2.42 116.97 116.04 3h30 h TYR 131 Ca 0.33 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 3h30 h TYR 131 Cb 0.54 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3h30 h TYR 131 CO -0.35 0.01 -0.17 -0.44 -1.64 0.00 0.00 178.16 175.56 3h30 h ASP 132 N 0.04 0.34 -0.24 -2.11 3.32 -1.83 -0.26 116.42 115.67 3h30 h ASP 132 Ca 0.03 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3h30 h ASP 132 Cb 0.03 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3h30 h ASP 132 CO -0.04 0.54 0.12 0.40 -1.72 0.00 0.00 179.24 178.53 3h30 h ILE 133 N 0.32 0.99 -0.62 0.35 2.04 -0.93 0.04 117.51 119.71 3h30 h ILE 133 Ca 0.06 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3h30 h ILE 133 Cb 0.50 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3h30 h ILE 133 CO 0.03 0.05 0.38 0.03 0.00 0.00 0.00 178.15 178.64 3h30 h ARG 134 N 0.25 0.72 0.18 2.37 3.08 -0.96 0.16 114.38 120.18 3h30 h ARG 134 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3h30 h ARG 134 Cb 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3h30 h ARG 134 CO -0.07 0.48 -0.08 0.35 -1.07 0.00 0.00 179.97 179.57 3h30 h PHE 135 N 0.74 -0.22 -0.01 3.04 3.57 -0.63 -1.55 116.94 121.89 3h30 h PHE 135 Ca 0.25 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.58 3h30 h PHE 135 Cb 0.03 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3h30 h PHE 135 CO -0.05 -0.08 -0.77 1.88 -2.23 0.00 0.00 178.31 177.06 3h30 h TYR 136 N -0.30 0.13 -0.62 0.41 0.05 -0.86 -1.86 116.97 113.91 3h30 h TYR 136 Ca -0.02 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.74 3h30 h TYR 136 Cb 0.24 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 3h30 h TYR 136 CO -0.05 0.82 0.36 0.52 -1.05 0.00 0.00 178.16 178.76 3h30 h MET 137 N 0.05 0.66 -0.79 4.88 2.86 -0.63 -0.87 114.93 121.10 3h30 h MET 137 Ca -0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3h30 h MET 137 Cb 1.35 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 3h30 h MET 137 CO 0.11 0.44 0.31 -0.92 1.06 0.00 0.00 176.91 177.90 3h30 h TYR 138 N 0.68 1.22 -0.66 -0.22 3.20 -0.72 -0.98 116.97 119.49 3h30 h TYR 138 Ca 0.27 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3h30 h TYR 138 Cb 0.11 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3h30 h TYR 138 CO -0.07 0.93 0.16 0.93 -1.64 0.00 0.00 178.16 178.47 3h30 h GLU 139 N 1.16 1.04 -0.53 1.82 4.39 -0.90 -1.28 114.58 120.27 3h30 h GLU 139 Ca 0.26 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3h30 h GLU 139 Cb 0.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3h30 h GLU 139 CO -0.02 0.92 0.14 0.82 -1.16 0.00 0.00 179.01 179.71 3h30 h ILE 140 N 0.99 1.24 -0.80 3.13 2.04 -0.76 -2.65 117.51 120.70 3h30 h ILE 140 Ca 0.21 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3h30 h ILE 140 Cb 0.35 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3h30 h ILE 140 CO 0.00 0.31 0.53 -0.07 0.00 0.00 0.00 178.15 178.92 3h30 h LEU 141 N 0.75 0.83 -0.66 1.44 3.38 -0.72 -1.33 115.31 118.99 3h30 h LEU 141 Ca 0.17 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3h30 h LEU 141 Cb 0.32 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3h30 h LEU 141 CO 0.00 0.56 0.37 0.11 0.09 0.00 0.00 178.44 179.57 3h30 h LYS 142 N 0.96 0.67 -0.41 1.13 1.57 -0.89 0.57 116.57 120.17 3h30 h LYS 142 Ca 0.32 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3h30 h LYS 142 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3h30 h LYS 142 CO -0.10 0.44 0.09 0.00 -0.57 0.00 0.00 179.45 179.32 3h30 h ALA 143 N 1.34 0.54 -0.22 3.86 0.00 -1.12 -2.05 119.26 121.60 3h30 h ALA 143 Ca 0.29 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3h30 h ALA 143 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h30 h ALA 143 CO -0.17 0.22 -0.25 -0.07 0.00 0.00 0.00 179.25 178.98 3h30 h LEU 144 N 0.52 0.61 -0.83 0.00 3.38 -0.99 -0.72 115.31 117.28 3h30 h LEU 144 Ca 0.13 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3h30 h LEU 144 Cb 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3h30 h LEU 144 CO 0.00 0.97 0.53 -0.78 0.09 0.00 0.00 178.44 179.25 3h30 h ASP 145 N 0.25 0.98 0.47 -0.43 3.58 -0.92 0.06 116.42 120.42 3h30 h ASP 145 Ca 0.03 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3h30 h ASP 145 Cb 0.81 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3h30 h ASP 145 CO 0.06 0.73 -0.23 0.22 -2.88 0.00 0.00 179.24 177.15 3h30 h TYR 146 N 1.13 -0.59 -0.47 0.28 3.20 -1.16 0.56 116.97 119.93 3h30 h TYR 146 Ca 0.30 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 3h30 h TYR 146 Cb -0.09 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3h30 h TYR 146 CO -0.01 -0.33 0.00 0.00 -1.64 0.00 0.00 178.16 176.18 3h30 h HIS 148 N 0.72 0.83 0.00 0.00 3.86 -0.89 0.41 115.15 120.07 3h30 h HIS 148 Ca 0.14 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3h30 h HIS 148 Cb 0.44 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 3h30 h HIS 148 CO 0.02 0.62 -0.06 0.66 0.86 0.00 0.00 177.93 180.04 3h30 h SER 149 N 0.79 0.00 -0.63 2.45 4.64 0.17 -0.03 113.55 120.94 3h30 h SER 149 Ca 0.20 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3h30 h SER 149 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3h30 h SER 149 CO -0.03 0.06 0.10 0.23 -0.87 0.00 0.00 176.83 176.33 3h30 n MET 150 N -3.51 4.43 -1.69 4.77 2.81 -0.48 -4.94 117.12 118.50 3h30 n MET 150 Ca -0.02 -3.14 -0.07 0.00 -1.81 0.00 0.00 57.70 52.66 3h30 n MET 150 Cb 0.18 -2.25 -0.02 0.00 -0.71 0.00 0.00 33.22 30.43 3h30 n MET 150 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h30 n GLY 151 N 0.29 0.47 3.16 3.03 0.00 -0.02 -4.91 105.19 107.21 3h30 n GLY 151 Ca 0.33 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3h30 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h30 s ILE 152 N -2.30 1.87 -0.10 -0.61 1.01 0.08 -1.00 121.20 120.15 3h30 s ILE 152 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 3h30 s ILE 152 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3h30 s ILE 152 CO 0.00 0.52 0.48 -0.04 0.00 0.00 0.00 174.94 175.90 3h30 s MET 153 N 0.59 4.31 -0.04 2.79 -1.94 0.49 -3.01 119.30 122.48 3h30 s MET 153 Ca -0.14 0.47 -0.22 0.00 -1.71 0.00 0.00 55.69 54.09 3h30 s MET 153 Cb -0.17 -3.41 -0.16 0.00 2.01 0.00 0.00 34.83 33.10 3h30 s MET 153 CO 0.04 0.21 0.96 1.25 -0.01 0.00 0.00 175.02 177.47 3h30 h HIS 154 N 6.48 -0.20 -0.10 -0.03 2.76 -1.92 -0.96 115.15 121.17 3h30 h HIS 154 Ca -0.42 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 3h30 h HIS 154 Cb 1.18 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.19 3h30 h HIS 154 CO 0.63 0.23 -0.04 0.54 -1.30 0.00 0.00 177.93 177.99 3h30 n ARG 155 N -4.94 -0.86 -2.76 5.26 1.74 -1.26 -2.47 116.66 111.37 3h30 n ARG 155 Ca -0.08 0.36 -0.01 0.00 -0.77 0.00 0.00 57.85 57.35 3h30 n ARG 155 Cb 0.27 -4.10 0.09 0.00 -1.02 0.00 0.00 32.46 27.70 3h30 n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3h30 n ASP 156 N -0.25 0.14 -4.64 0.55 2.03 -1.26 -1.13 116.55 112.00 3h30 n ASP 156 Ca -0.02 -2.14 -0.43 0.00 0.52 0.00 0.00 54.79 52.72 3h30 n ASP 156 Cb 0.25 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 3h30 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3h30 s VAL 157 N -1.96 3.67 0.19 5.18 1.01 -1.26 -4.77 120.40 122.46 3h30 s VAL 157 Ca 0.19 0.77 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 3h30 s VAL 157 Cb 0.38 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 33.19 3h30 s VAL 157 CO -0.08 -0.22 0.64 -1.59 0.00 0.00 0.00 175.10 173.86 3h30 s LYS 158 N 4.51 1.41 0.23 2.72 -2.85 -1.26 -4.77 119.74 119.73 3h30 s LYS 158 Ca 0.72 -0.61 -0.06 0.00 -1.00 0.00 0.00 55.97 55.02 3h30 s LYS 158 Cb -0.27 0.59 0.39 0.00 -2.06 0.00 0.00 37.83 36.48 3h30 s LYS 158 CO 0.29 -0.63 1.75 -1.35 0.10 0.00 0.00 175.35 175.51 3h30 h PRO 159 N 2.00 0.49 0.00 1.78 0.11 -1.94 -0.70 132.00 133.74 3h30 h PRO 159 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3h30 h PRO 159 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h30 h PRO 159 CO 0.34 0.32 0.00 0.45 -0.21 0.00 0.00 178.00 178.90 3h30 h HIS 160 N 0.50 0.00 -0.60 0.65 3.86 -1.95 -2.35 115.15 115.27 3h30 h HIS 160 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3h30 h HIS 160 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3h30 h HIS 160 CO -0.14 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.74 3h30 n ASN 161 N -2.88 5.44 -4.02 2.45 5.03 -0.27 -4.79 115.26 116.21 3h30 n ASN 161 Ca -0.02 -2.78 -0.31 0.00 0.87 0.00 0.00 54.58 52.34 3h30 n ASN 161 Cb 0.13 -0.66 -0.16 0.00 -1.02 0.00 0.00 39.78 38.07 3h30 n ASN 161 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h30 s VAL 162 N -2.48 1.76 0.11 2.41 1.01 -0.89 -1.52 120.40 120.80 3h30 s VAL 162 Ca 0.53 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 3h30 s VAL 162 Cb 0.39 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 3h30 s VAL 162 CO 0.19 0.18 0.48 -0.04 0.00 0.00 0.00 175.10 175.91 3h30 s MET 163 N 1.34 3.90 0.00 2.72 -1.94 0.05 0.45 119.30 125.84 3h30 s MET 163 Ca -0.02 0.38 0.03 0.00 -1.71 0.00 0.00 55.69 54.37 3h30 s MET 163 Cb -0.16 -2.99 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 3h30 s MET 163 CO -0.08 0.53 -0.09 0.42 -0.01 0.00 0.00 175.02 175.79 3h30 s ILE 164 N -1.39 0.73 -0.57 2.53 -1.09 0.35 -0.78 121.20 120.99 3h30 s ILE 164 Ca 0.34 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 3h30 s ILE 164 Cb -0.15 -0.63 0.14 0.00 -1.58 0.00 0.00 42.46 40.24 3h30 s ILE 164 CO 0.18 0.14 0.34 -0.62 -1.23 0.00 0.00 174.94 173.75 3h30 s ASP 165 N -0.40 4.69 0.40 3.58 -1.08 0.97 -4.24 116.67 120.59 3h30 s ASP 165 Ca 0.02 -2.99 0.14 0.00 -0.52 0.00 0.00 52.55 49.20 3h30 s ASP 165 Cb -0.04 -1.72 0.84 0.00 -1.46 0.00 0.00 42.92 40.53 3h30 s ASP 165 CO -0.00 -0.28 1.89 -0.74 0.52 0.00 0.00 175.17 176.57 3h30 h HIS 166 N 6.66 0.00 -0.52 -5.34 -0.00 -1.95 -0.28 115.15 113.71 3h30 h HIS 166 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 3h30 h HIS 166 Cb 0.91 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 3h30 h HIS 166 CO 0.60 0.29 0.21 1.49 -0.00 0.00 0.00 177.93 180.53 3h30 h GLU 167 N 0.00 0.78 -0.72 5.26 4.81 -1.94 -2.85 114.58 119.92 3h30 h GLU 167 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3h30 h GLU 167 Cb 0.52 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3h30 h GLU 167 CO 0.04 0.68 0.00 0.72 -0.73 0.00 0.00 179.01 179.72 3h30 n HIS 168 N -4.54 1.05 -3.52 0.92 8.25 -0.98 -4.77 115.22 111.63 3h30 n HIS 168 Ca 0.02 -0.52 -0.26 0.00 -0.26 0.00 0.00 57.72 56.71 3h30 n HIS 168 Cb 0.15 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3h30 n HIS 168 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3h30 n ARG 169 N 1.56 -3.94 -4.81 -0.41 5.12 -0.19 -4.95 116.66 109.05 3h30 n ARG 169 Ca 0.25 0.53 -0.33 0.00 -1.93 0.00 0.00 57.85 56.37 3h30 n ARG 169 Cb 0.66 -5.30 -0.13 0.00 -1.16 0.00 0.00 32.46 26.54 3h30 n ARG 169 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3h30 s LYS 170 N -6.19 2.63 -0.01 5.56 1.02 -0.76 -4.99 119.74 117.01 3h30 s LYS 170 Ca 0.48 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.82 3h30 s LYS 170 Cb -0.25 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3h30 s LYS 170 CO 0.59 0.60 -0.03 -1.17 -0.92 0.00 0.00 175.35 174.43 3h30 s LEU 171 N -0.67 1.83 -0.05 3.17 0.20 -1.26 -0.02 118.68 121.88 3h30 s LEU 171 Ca 0.10 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.90 3h30 s LEU 171 Cb -0.11 -0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.47 3h30 s LEU 171 CO 0.01 0.01 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.82 3h30 s ARG 172 N 0.16 1.51 -0.14 1.98 1.81 0.04 -4.52 118.95 119.79 3h30 s ARG 172 Ca -0.01 -0.44 -0.27 0.00 -1.72 0.00 0.00 55.73 53.28 3h30 s ARG 172 Cb -0.04 -1.31 -0.01 0.00 -0.45 0.00 0.00 34.95 33.14 3h30 s ARG 172 CO -0.00 0.12 0.92 -1.17 -0.68 0.00 0.00 175.30 174.48 3h30 s LEU 173 N 0.34 4.21 0.00 2.53 2.96 0.79 -0.77 118.68 128.75 3h30 s LEU 173 Ca -0.08 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 3h30 s LEU 173 Cb -0.12 -3.39 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 3h30 s LEU 173 CO 0.02 -0.42 0.02 2.30 -1.32 0.00 0.00 176.35 176.96 3h30 n ILE 174 N 4.63 0.00 -2.59 6.68 -5.35 -0.58 -2.82 119.36 119.33 3h30 n ILE 174 Ca 0.06 -2.09 -0.08 0.00 -0.27 0.00 0.00 62.75 60.38 3h30 n ILE 174 Cb 0.49 0.48 0.04 0.00 -1.74 0.00 0.00 39.64 38.91 3h30 n ILE 174 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h30 n ASP 175 N -1.33 -5.11 -1.10 7.28 2.03 -1.26 -4.85 116.55 112.21 3h30 n ASP 175 Ca -0.16 -0.37 0.04 0.00 0.52 0.00 0.00 54.79 54.81 3h30 n ASP 175 Cb 0.56 -3.55 0.19 0.00 -0.72 0.00 0.00 41.12 37.59 3h30 n ASP 175 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 3h30 n TRP 176 N -2.39 0.93 0.24 -0.67 7.02 -1.26 -4.41 117.44 116.89 3h30 n TRP 176 Ca -0.04 -0.33 0.11 0.00 -1.02 0.00 0.00 57.50 56.22 3h30 n TRP 176 Cb 0.56 -0.26 0.54 0.00 -2.42 0.00 0.00 31.31 29.74 3h30 n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3h30 h GLY 177 N 4.63 0.00 -1.03 6.99 0.00 -1.92 -2.89 103.07 108.85 3h30 h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h30 h GLY 177 CO 0.21 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 177.42 3h30 n LEU 178 N -3.44 2.09 -4.69 3.11 4.77 -1.26 -4.83 117.00 112.76 3h30 n LEU 178 Ca -0.00 -0.75 -0.36 0.00 -0.03 0.00 0.00 56.01 54.87 3h30 n LEU 178 Cb 0.37 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3h30 n LEU 178 CO 0.32 0.38 0.77 0.00 -1.33 0.00 0.00 177.39 177.53 3h30 n ALA 179 N 0.16 0.49 -3.10 -1.18 0.00 -1.03 -4.72 120.51 111.12 3h30 n ALA 179 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3h30 n ALA 179 Cb 0.48 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 3h30 n ALA 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h30 s GLU 180 N -3.53 0.61 0.13 0.00 2.56 -0.37 -4.87 118.70 113.24 3h30 s GLU 180 Ca 0.78 -0.37 -0.30 0.00 0.00 0.00 0.00 54.97 55.07 3h30 s GLU 180 Cb -0.35 0.26 -0.07 0.00 2.00 0.00 0.00 34.13 35.98 3h30 s GLU 180 CO 0.45 -0.17 1.10 -0.06 -0.56 0.00 0.00 175.26 176.03 3h30 s PHE 181 N -1.67 3.59 0.05 5.30 0.08 -1.26 -0.38 117.98 123.69 3h30 s PHE 181 Ca -0.12 1.56 -0.25 0.00 0.12 0.00 0.00 56.93 58.24 3h30 s PHE 181 Cb -0.05 -3.27 -0.06 0.00 -0.57 0.00 0.00 43.02 39.07 3h30 s PHE 181 CO 0.01 -0.63 0.77 -0.47 -0.10 0.00 0.00 175.22 174.81 3h30 s TYR 182 N 0.20 3.74 -0.04 0.36 5.04 -0.17 -4.91 117.35 121.57 3h30 s TYR 182 Ca 0.51 1.48 -0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3h30 s TYR 182 Cb -0.28 -2.82 0.03 0.00 0.35 0.00 0.00 41.96 39.24 3h30 s TYR 182 CO 0.32 0.28 0.06 -1.01 -1.34 0.00 0.00 175.55 173.87 3h30 s HIS 183 N -0.08 0.02 0.26 4.97 3.76 -1.26 -4.59 115.29 118.37 3h30 s HIS 183 Ca 0.39 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 55.26 3h30 s HIS 183 Cb -0.21 -0.37 -0.11 0.00 1.11 0.00 0.00 32.58 33.01 3h30 s HIS 183 CO 0.23 -0.17 1.53 -1.25 -0.85 0.00 0.00 174.74 174.24 3h30 s PRO 184 N 1.79 4.19 0.00 8.40 0.04 -1.26 -1.77 135.00 146.39 3h30 s PRO 184 Ca -0.00 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3h30 s PRO 184 Cb -0.12 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3h30 s PRO 184 CO -0.03 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3h30 n GLY 185 N 2.37 2.84 3.75 0.56 0.00 -1.26 -5.04 105.19 108.40 3h30 n GLY 185 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3h30 n GLY 185 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h30 s GLN 186 N -0.75 4.60 -0.14 1.61 0.74 -0.73 -5.02 119.66 119.97 3h30 s GLN 186 Ca 0.00 1.78 -0.12 0.00 0.05 0.00 0.00 55.36 57.07 3h30 s GLN 186 Cb 0.00 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 3h30 s GLN 186 CO 0.00 0.11 0.24 -1.21 -0.55 0.00 0.00 175.29 173.88 3h30 s GLU 187 N -0.80 4.03 0.13 1.67 2.02 -1.26 -4.54 118.70 119.94 3h30 s GLU 187 Ca 0.48 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.56 3h30 s GLU 187 Cb -0.31 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 3h30 s GLU 187 CO 0.38 0.42 -0.10 0.71 0.02 0.00 0.00 175.26 176.69 3h30 s TYR 188 N -0.05 2.69 0.16 1.61 2.02 0.07 -4.99 117.35 118.86 3h30 s TYR 188 Ca 0.15 -0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 3h30 s TYR 188 Cb -0.13 -1.38 -0.11 0.00 -0.40 0.00 0.00 41.96 39.94 3h30 s TYR 188 CO 0.04 0.45 1.78 1.21 -1.57 0.00 0.00 175.55 177.45 3h30 s ASN 189 N -2.42 6.41 0.00 2.29 2.47 -1.26 -4.66 114.94 117.77 3h30 s ASN 189 Ca 0.22 2.80 0.29 0.00 0.42 0.00 0.00 52.86 56.59 3h30 s ASN 189 Cb -0.10 -2.58 1.33 0.00 -1.45 0.00 0.00 41.25 38.44 3h30 s ASN 189 CO 0.14 -0.99 1.93 1.33 -3.72 0.00 0.00 177.10 175.80 3h30 n VAL 190 N 4.41 0.00 -1.29 -5.21 0.24 -1.26 -4.34 118.33 110.88 3h30 n VAL 190 Ca 0.17 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 62.07 3h30 n VAL 190 Cb 0.37 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 3h30 n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3h30 n ARG 191 N -1.20 3.54 -4.34 7.34 1.74 -1.26 -4.81 116.66 117.67 3h30 n ARG 191 Ca 0.13 -2.17 -0.17 0.00 -0.77 0.00 0.00 57.85 54.87 3h30 n ARG 191 Cb 0.27 -2.80 -0.10 0.00 -1.02 0.00 0.00 32.46 28.81 3h30 n ARG 191 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h30 s VAL 192 N 2.33 1.11 0.43 1.55 -7.23 -1.26 -5.09 120.40 112.23 3h30 s VAL 192 Ca 0.66 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3h30 s VAL 192 Cb 0.17 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3h30 s VAL 192 CO -0.06 -0.35 0.00 0.00 -0.31 0.00 0.00 175.10 174.38 3h30 n ALA 193 N -0.42 -1.69 -1.79 1.32 0.00 -0.28 -4.89 120.51 112.75 3h30 n ALA 193 Ca -0.05 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 3h30 n ALA 193 Cb 0.64 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 3h30 n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h30 s SER 194 N -4.09 7.03 0.24 0.00 0.01 -1.26 -4.78 113.70 110.85 3h30 s SER 194 Ca 0.00 1.85 -0.13 0.00 1.31 0.00 0.00 55.95 58.98 3h30 s SER 194 Cb 0.00 -2.57 0.31 0.00 0.21 0.00 0.00 66.02 63.98 3h30 s SER 194 CO 0.00 -0.29 1.58 -0.09 0.41 0.00 0.00 173.24 174.85 3h30 h ARG 195 N 2.57 -0.02 0.00 12.44 2.43 -1.98 0.31 114.38 130.12 3h30 h ARG 195 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3h30 h ARG 195 Cb 1.20 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3h30 h ARG 195 CO 0.63 -0.02 0.00 1.88 -1.51 0.00 0.00 179.97 180.95 3h30 h TYR 196 N -0.03 0.00 -0.01 2.20 0.05 -1.92 -2.48 116.97 114.78 3h30 h TYR 196 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 3h30 h TYR 196 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3h30 h TYR 196 CO -0.71 0.00 -0.09 1.19 -1.05 0.00 0.00 178.16 177.49 3h30 n PHE 197 N -2.59 0.00 -2.22 4.88 3.72 0.10 -4.71 117.46 116.65 3h30 n PHE 197 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3h30 n PHE 197 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3h30 n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3h30 s LYS 198 N -1.32 4.39 0.56 -1.08 1.02 -0.94 -4.00 119.74 118.37 3h30 s LYS 198 Ca 0.14 2.06 -0.16 0.00 0.02 0.00 0.00 55.97 58.03 3h30 s LYS 198 Cb 0.11 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3h30 s LYS 198 CO 0.23 -0.24 1.02 0.20 -0.92 0.00 0.00 175.35 175.64 3h30 s GLY 199 N 0.29 2.06 0.47 -3.33 0.00 -1.26 -4.91 107.32 100.63 3h30 s GLY 199 Ca 0.56 0.26 0.26 0.00 0.00 0.00 0.00 44.72 45.80 3h30 s GLY 199 CO 0.39 0.56 1.81 -2.55 0.00 0.00 0.00 173.10 173.30 3h30 h PRO 200 N 0.58 0.20 -0.82 2.90 0.11 -1.93 0.02 132.00 133.07 3h30 h PRO 200 Ca -0.47 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 3h30 h PRO 200 Cb 1.20 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3h30 h PRO 200 CO 0.59 0.13 0.49 1.05 -0.21 0.00 0.00 178.00 180.05 3h30 h GLU 201 N 0.21 0.84 -0.41 1.05 9.09 -1.89 -0.68 114.58 122.78 3h30 h GLU 201 Ca 0.54 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.78 3h30 h GLU 201 Cb 1.73 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 28.63 3h30 h GLU 201 CO -0.15 0.55 -0.21 -0.07 0.05 0.00 0.00 179.01 179.19 3h30 h LEU 202 N 0.86 0.83 -0.48 3.06 3.38 -1.21 0.17 115.31 121.91 3h30 h LEU 202 Ca 0.37 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3h30 h LEU 202 Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h30 h LEU 202 CO -0.20 1.01 -0.03 -0.07 0.09 0.00 0.00 178.44 179.25 3h30 h LEU 203 N 0.71 0.00 -3.15 1.67 3.38 -1.07 -2.68 115.31 114.18 3h30 h LEU 203 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h30 h LEU 203 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h30 h LEU 203 CO 0.06 0.03 0.00 1.33 0.09 0.00 0.00 178.44 179.94 3h30 n VAL 204 N -3.11 1.86 -2.96 1.22 0.24 -0.34 -4.95 118.33 110.28 3h30 n VAL 204 Ca 0.03 -1.40 -0.22 0.00 -2.04 0.00 0.00 64.34 60.71 3h30 n VAL 204 Cb 0.47 0.06 0.02 0.00 -1.47 0.00 0.00 33.84 32.92 3h30 n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3h30 n ASP 205 N 0.38 -5.64 -4.53 -1.34 8.00 -1.01 -4.78 116.55 107.64 3h30 n ASP 205 Ca 0.21 -0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.04 3h30 n ASP 205 Cb 0.80 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.25 3h30 n ASP 205 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3h30 s TYR 206 N -3.10 2.99 -0.50 1.24 5.04 0.56 -4.94 117.35 118.65 3h30 s TYR 206 Ca 0.26 0.08 0.23 0.00 -2.44 0.00 0.00 57.07 55.21 3h30 s TYR 206 Cb -0.12 -3.65 0.18 0.00 0.35 0.00 0.00 41.96 38.72 3h30 s TYR 206 CO 0.33 -1.00 1.18 1.96 -1.34 0.00 0.00 175.55 176.68 3h30 h GLN 207 N 9.00 0.00 -2.31 4.97 4.20 -1.83 -3.40 115.11 125.74 3h30 h GLN 207 Ca -0.25 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.78 3h30 h GLN 207 Cb 1.09 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.69 3h30 h GLN 207 CO 0.96 0.00 1.45 -0.12 -0.67 0.00 0.00 178.83 180.45 3h30 n MET 208 N -2.29 3.85 -2.35 1.46 1.56 -1.26 -0.75 117.12 117.34 3h30 n MET 208 Ca 0.02 -3.28 -0.17 0.00 -0.27 0.00 0.00 57.70 54.00 3h30 n MET 208 Cb 0.48 -2.42 0.08 0.00 2.15 0.00 0.00 33.22 33.51 3h30 n MET 208 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 3h30 n TYR 209 N 1.00 -2.76 -1.97 1.12 0.18 -1.26 -4.58 117.16 108.87 3h30 n TYR 209 Ca 0.55 -1.53 0.00 0.00 1.88 0.00 0.00 57.90 58.80 3h30 n TYR 209 Cb 0.35 -0.52 0.00 0.00 -0.38 0.00 0.00 39.34 38.79 3h30 n TYR 209 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3h30 n ASP 210 N -2.72 0.00 0.30 9.48 5.68 -1.26 -4.92 116.55 123.10 3h30 n ASP 210 Ca 0.13 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.57 3h30 n ASP 210 Cb 0.47 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.37 3h30 n ASP 210 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3h30 h TYR 211 N 0.00 0.00 0.00 2.11 0.05 -1.94 -2.89 116.97 114.30 3h30 h TYR 211 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h30 h TYR 211 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3h30 h TYR 211 CO 0.00 0.01 -0.00 0.66 -1.05 0.00 0.00 178.16 177.78 3h30 h SER 212 N 0.00 0.00 -0.96 3.88 4.64 -1.95 -0.68 113.55 118.48 3h30 h SER 212 Ca -0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3h30 h SER 212 Cb 0.02 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.02 3h30 h SER 212 CO 0.00 0.00 0.58 0.25 -0.87 0.00 0.00 176.83 176.79 3h30 h LEU 213 N 0.00 0.80 -1.19 5.97 5.85 -1.87 -1.36 115.31 123.50 3h30 h LEU 213 Ca -0.00 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3h30 h LEU 213 Cb 0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3h30 h LEU 213 CO 0.00 0.38 -0.19 0.44 -0.34 0.00 0.00 178.44 178.73 3h30 h ASP 214 N 0.86 0.31 -0.23 1.25 3.32 -1.36 -2.04 116.42 118.53 3h30 h ASP 214 Ca 0.50 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 3h30 h ASP 214 Cb 0.60 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3h30 h ASP 214 CO -0.31 0.53 -0.25 0.24 -1.72 0.00 0.00 179.24 177.73 3h30 h MET 215 N 0.30 0.71 0.13 3.56 2.86 -1.35 0.12 114.93 121.25 3h30 h MET 215 Ca 0.05 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3h30 h MET 215 Cb 0.52 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3h30 h MET 215 CO 0.03 0.89 -0.06 2.35 1.06 0.00 0.00 176.91 181.18 3h30 h TRP 216 N 0.62 -0.16 -0.63 -0.22 2.91 -1.07 0.13 115.95 117.52 3h30 h TRP 216 Ca 0.08 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.17 3h30 h TRP 216 Cb 0.75 0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.39 3h30 h TRP 216 CO 0.04 -0.09 0.32 0.77 -1.03 0.00 0.00 178.44 178.45 3h30 h SER 217 N -0.19 0.43 -0.51 2.65 0.02 -1.15 -1.05 113.55 113.76 3h30 h SER 217 Ca -0.02 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3h30 h SER 217 Cb 0.15 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 3h30 h SER 217 CO 0.03 0.27 0.22 0.25 -1.14 0.00 0.00 176.83 176.47 3h30 h LEU 218 N 0.58 0.28 -0.98 5.07 5.85 -0.58 -1.81 115.31 123.73 3h30 h LEU 218 Ca 0.29 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.10 3h30 h LEU 218 Cb 0.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3h30 h LEU 218 CO -0.22 0.19 0.63 1.23 -0.34 0.00 0.00 178.44 179.94 3h30 h GLY 219 N 0.43 1.44 1.03 3.75 0.00 0.10 -1.33 103.07 108.49 3h30 h GLY 219 Ca 0.24 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3h30 h GLY 219 CO -0.20 0.39 0.55 0.00 0.00 0.00 0.00 176.54 177.28 3h30 h MET 221 N 1.03 0.73 -0.40 0.00 -1.53 -0.52 -2.54 114.93 111.70 3h30 h MET 221 Ca 0.34 -0.33 -0.04 0.00 -3.44 0.00 0.00 59.70 56.24 3h30 h MET 221 Cb 0.06 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.08 3h30 h MET 221 CO -0.11 0.94 0.11 1.25 0.14 0.00 0.00 176.91 179.24 3h30 h LEU 222 N 0.51 0.59 -0.48 3.39 5.85 -0.93 -2.23 115.31 122.01 3h30 h LEU 222 Ca 0.07 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.60 3h30 h LEU 222 Cb 0.73 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3h30 h LEU 222 CO 0.05 0.66 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 3h30 h ALA 223 N 0.96 0.61 -0.77 1.25 0.00 -1.13 -0.89 119.26 119.28 3h30 h ALA 223 Ca 0.13 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3h30 h ALA 223 Cb 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3h30 h ALA 223 CO -0.00 -0.05 0.43 1.03 0.00 0.00 0.00 179.25 180.66 3h30 h SER 224 N 0.54 0.62 -0.00 0.00 0.87 -1.28 -1.84 113.55 112.45 3h30 h SER 224 Ca 0.20 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3h30 h SER 224 Cb 0.05 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3h30 h SER 224 CO -0.10 0.37 -0.01 0.24 -0.53 0.00 0.00 176.83 176.79 3h30 h MET 225 N 0.74 0.02 0.00 2.24 2.07 -0.82 -1.47 114.93 117.70 3h30 h MET 225 Ca 0.37 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.89 3h30 h MET 225 Cb 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 3h30 h MET 225 CO -0.23 0.60 -0.44 -0.84 1.07 0.00 0.00 176.91 177.07 3h30 h ILE 226 N -0.57 0.93 -0.02 -1.22 3.07 -1.14 -3.10 117.51 115.47 3h30 h ILE 226 Ca -0.00 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.62 3h30 h ILE 226 Cb 0.60 2.09 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 3h30 h ILE 226 CO 0.00 0.43 -0.45 0.49 -1.05 0.00 0.00 178.15 177.57 3h30 n PHE 227 N -3.46 0.00 -3.71 0.16 3.72 -0.70 -4.51 117.46 108.96 3h30 n PHE 227 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 3h30 n PHE 227 Cb 0.58 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.15 3h30 n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h30 n ARG 228 N 0.06 -3.75 -4.04 -1.08 1.74 -0.61 -4.85 116.66 104.13 3h30 n ARG 228 Ca 0.09 0.57 -0.25 0.00 -0.77 0.00 0.00 57.85 57.49 3h30 n ARG 228 Cb 0.48 -4.90 -0.17 0.00 -1.02 0.00 0.00 32.46 26.84 3h30 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3h30 s LYS 229 N -5.98 1.39 -0.23 5.56 2.20 -0.87 -5.06 119.74 116.76 3h30 s LYS 229 Ca 0.12 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 3h30 s LYS 229 Cb -0.04 -1.42 0.05 0.00 -1.51 0.00 0.00 37.83 34.92 3h30 s LYS 229 CO 0.83 -0.20 -0.08 -2.00 -0.36 0.00 0.00 175.35 173.54 3h30 s GLU 230 N 1.48 1.92 0.74 4.03 2.12 -1.26 -3.16 118.70 124.57 3h30 s GLU 230 Ca -0.00 -1.04 -0.11 0.00 0.36 0.00 0.00 54.97 54.18 3h30 s GLU 230 Cb -0.13 -2.62 0.05 0.00 0.26 0.00 0.00 34.13 31.68 3h30 s GLU 230 CO -0.05 -0.54 1.11 -1.25 -0.54 0.00 0.00 175.26 173.99 3h30 s PRO 231 N 1.32 2.37 0.03 4.30 0.04 -1.26 -5.05 135.00 136.75 3h30 s PRO 231 Ca -0.05 0.18 -0.25 0.00 0.04 0.00 0.00 61.00 60.92 3h30 s PRO 231 Cb -0.18 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 3h30 s PRO 231 CO -0.07 -1.29 1.47 0.35 0.04 0.00 0.00 177.00 177.50 3h30 h PHE 232 N -0.80 -0.06 -3.31 0.56 3.57 -1.80 -3.37 116.94 111.73 3h30 h PHE 232 Ca -0.45 -0.00 -0.74 0.00 3.53 0.00 0.00 57.97 60.30 3h30 h PHE 232 Cb 1.30 0.02 -0.28 0.00 2.79 0.00 0.00 35.95 39.78 3h30 h PHE 232 CO 0.39 0.21 -0.28 -0.06 -2.23 0.00 0.00 178.31 176.34 3h30 s PHE 233 N -5.13 3.41 -1.15 0.41 0.08 -1.26 -5.01 117.98 109.33 3h30 s PHE 233 Ca -0.15 -1.76 -0.09 0.00 0.12 0.00 0.00 56.93 55.06 3h30 s PHE 233 Cb 0.04 -3.61 0.25 0.00 -0.57 0.00 0.00 43.02 39.12 3h30 s PHE 233 CO 0.65 -0.99 1.35 1.58 -0.10 0.00 0.00 175.22 177.71 3h30 n HIS 234 N 4.82 4.30 -2.64 0.36 -0.00 -1.26 -4.69 115.22 116.12 3h30 n HIS 234 Ca -0.06 -3.38 -0.36 0.00 0.46 0.00 0.00 57.72 54.38 3h30 n HIS 234 Cb 0.41 -1.74 -0.05 0.00 -0.12 0.00 0.00 29.99 28.49 3h30 n HIS 234 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3h30 s GLY 235 N 0.89 2.65 0.01 1.57 0.00 -1.26 -4.94 107.32 106.24 3h30 s GLY 235 Ca 0.34 0.60 0.22 0.00 0.00 0.00 0.00 44.72 45.88 3h30 s GLY 235 CO -0.01 0.98 0.59 1.42 0.00 0.00 0.00 173.10 176.08 3h30 n HIS 236 N -0.19 0.25 -4.07 1.90 8.25 -1.26 -4.82 115.22 115.29 3h30 n HIS 236 Ca 0.05 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 3h30 n HIS 236 Cb 0.51 -0.66 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 3h30 n HIS 236 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3h30 s ASP 237 N -4.83 0.74 0.21 0.41 1.47 -1.26 -5.01 116.67 108.41 3h30 s ASP 237 Ca -0.06 -1.41 -0.09 0.00 1.18 0.00 0.00 52.55 52.17 3h30 s ASP 237 Cb 0.12 0.66 0.23 0.00 -0.34 0.00 0.00 42.92 43.59 3h30 s ASP 237 CO 0.87 -1.29 1.84 0.78 0.68 0.00 0.00 175.17 178.05 3h30 h ASN 238 N 2.13 0.71 -0.40 2.11 -0.26 -1.99 0.59 115.58 118.47 3h30 h ASN 238 Ca -0.28 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 3h30 h ASN 238 Cb 1.24 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.34 3h30 h ASN 238 CO 0.39 0.48 0.15 1.88 -1.06 0.00 0.00 177.43 179.27 3h30 h TYR 239 N 0.85 0.61 0.00 1.19 0.05 -1.97 -2.90 116.97 114.80 3h30 h TYR 239 Ca 0.30 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.97 3h30 h TYR 239 Cb 0.08 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3h30 h TYR 239 CO -0.05 0.55 -0.28 0.22 -1.05 0.00 0.00 178.16 177.55 3h30 h ASP 240 N 0.49 0.00 -0.52 3.88 3.58 -1.79 -1.87 116.42 120.19 3h30 h ASP 240 Ca 0.13 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.61 3h30 h ASP 240 Cb 0.20 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 3h30 h ASP 240 CO -0.01 0.28 0.30 -0.61 -2.88 0.00 0.00 179.24 176.32 3h30 h GLN 241 N 0.00 0.57 -0.28 0.28 5.75 -0.70 0.20 115.11 120.93 3h30 h GLN 241 Ca -0.00 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.33 3h30 h GLN 241 Cb 0.67 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 3h30 h GLN 241 CO 0.04 0.37 -0.38 1.25 -2.65 0.00 0.00 178.83 177.46 3h30 h LEU 242 N 0.58 0.69 -0.32 -2.39 5.85 -1.35 -2.39 115.31 115.98 3h30 h LEU 242 Ca 0.22 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3h30 h LEU 242 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3h30 h LEU 242 CO -0.12 1.00 0.21 0.58 -0.34 0.00 0.00 178.44 179.76 3h30 h VAL 243 N 0.54 1.07 -0.77 1.05 2.07 -0.91 -0.14 116.25 119.17 3h30 h VAL 243 Ca 0.05 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3h30 h VAL 243 Cb 0.90 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3h30 h VAL 243 CO 0.08 0.08 0.46 0.03 0.02 0.00 0.00 177.57 178.24 3h30 h ARG 244 N 0.43 0.83 -0.49 1.57 2.47 -0.45 -0.56 114.38 118.17 3h30 h ARG 244 Ca 0.12 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 3h30 h ARG 244 Cb -0.04 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 3h30 h ARG 244 CO -0.03 0.55 0.14 0.82 0.56 0.00 0.00 179.97 182.00 3h30 h ILE 245 N 0.86 1.23 0.00 2.04 2.04 -1.09 -3.00 117.51 119.59 3h30 h ILE 245 Ca 0.34 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3h30 h ILE 245 Cb 0.16 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3h30 h ILE 245 CO -0.17 0.29 -0.23 0.00 0.00 0.00 0.00 178.15 178.04 3h30 h ALA 246 N 1.00 1.54 0.00 1.87 0.00 -0.29 -0.79 119.26 122.60 3h30 h ALA 246 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h30 h ALA 246 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h30 h ALA 246 CO -0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3h30 n LYS 247 N -4.16 0.02 -0.09 0.00 5.02 -0.29 -1.08 118.16 117.59 3h30 n LYS 247 Ca -0.02 0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 3h30 n LYS 247 Cb 0.29 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3h30 n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h30 n VAL 248 N -1.49 0.98 0.55 -0.18 0.31 -0.85 -4.55 118.33 113.10 3h30 n VAL 248 Ca 0.06 -0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.29 3h30 n VAL 248 Cb 0.27 -1.75 0.28 0.00 -0.91 0.00 0.00 33.84 31.73 3h30 n VAL 248 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h30 h LEU 249 N -0.63 0.00 0.00 7.52 4.07 -1.29 0.52 115.31 125.50 3h30 h LEU 249 Ca -0.43 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.45 3h30 h LEU 249 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3h30 h LEU 249 CO -0.26 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 177.75 3h30 n GLY 250 N 1.30 -0.79 0.17 0.83 0.00 -0.25 -4.35 105.19 102.09 3h30 n GLY 250 Ca 0.04 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3h30 n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h30 h THR 251 N 0.00 0.34 -0.27 2.61 1.35 -1.23 -3.35 112.91 112.36 3h30 h THR 251 Ca 0.00 -1.50 0.06 0.00 -0.55 0.00 0.00 66.41 64.42 3h30 h THR 251 Cb 0.00 2.08 -0.06 0.00 -1.73 0.00 0.00 68.15 68.44 3h30 h THR 251 CO 0.00 0.19 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.26 3h30 h GLU 252 N 0.00 -0.08 0.00 4.72 4.81 -1.88 -0.54 114.58 121.62 3h30 h GLU 252 Ca -0.01 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3h30 h GLU 252 Cb 1.18 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3h30 h GLU 252 CO 0.03 -0.05 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.30 3h30 h ASP 253 N -0.08 0.00 0.05 1.04 3.32 -1.86 -2.53 116.42 116.36 3h30 h ASP 253 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3h30 h ASP 253 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3h30 h ASP 253 CO -0.32 0.51 -0.03 0.25 -1.72 0.00 0.00 179.24 177.93 3h30 h LEU 254 N 0.00 -0.06 -1.29 1.55 5.85 -1.41 -0.75 115.31 119.20 3h30 h LEU 254 Ca -0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3h30 h LEU 254 Cb 1.08 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3h30 h LEU 254 CO 0.07 0.09 0.00 1.88 -0.34 0.00 0.00 178.44 180.13 3h30 h TYR 255 N -0.21 0.00 -0.06 1.25 0.99 -1.12 0.03 116.97 117.85 3h30 h TYR 255 Ca -0.01 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.58 3h30 h TYR 255 Cb 0.18 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.92 3h30 h TYR 255 CO -0.03 0.00 -0.52 -0.44 -0.00 0.00 0.00 178.16 177.17 3h30 h ASP 256 N 0.00 0.56 -0.21 3.88 3.32 -1.16 -2.12 116.42 120.69 3h30 h ASP 256 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 57.03 56.40 3h30 h ASP 256 Cb 0.50 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3h30 h ASP 256 CO 0.00 1.16 0.02 0.22 -1.72 0.00 0.00 179.24 178.92 3h30 h TYR 257 N 0.01 0.03 -0.51 4.55 3.20 -0.71 0.70 116.97 124.25 3h30 h TYR 257 Ca -0.05 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3h30 h TYR 257 Cb 1.19 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 3h30 h TYR 257 CO 0.13 -0.00 0.26 0.82 -1.64 0.00 0.00 178.16 177.73 3h30 h ILE 258 N 0.10 0.97 -0.02 1.81 2.04 -1.05 -2.33 117.51 119.02 3h30 h ILE 258 Ca 0.10 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 3h30 h ILE 258 Cb 0.10 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3h30 h ILE 258 CO -0.14 0.09 -0.48 0.44 0.00 0.00 0.00 178.15 178.06 3h30 h ASP 259 N 0.51 0.05 0.02 1.72 3.32 -1.16 -1.09 116.42 119.79 3h30 h ASP 259 Ca 0.22 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3h30 h ASP 259 Cb 0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3h30 h ASP 259 CO -0.15 0.53 -0.01 0.50 -1.72 0.00 0.00 179.24 178.39 3h30 h LYS 260 N 0.04 -0.02 -0.52 3.56 3.64 -0.34 -3.12 116.57 119.82 3h30 h LYS 260 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h30 h LYS 260 Cb 0.87 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3h30 h LYS 260 CO 0.07 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.07 3h30 n TYR 261 N -5.01 0.72 -3.96 1.91 4.02 -0.99 -4.82 117.16 109.03 3h30 n TYR 261 Ca -0.08 -0.34 -0.28 0.00 -0.01 0.00 0.00 57.90 57.19 3h30 n TYR 261 Cb 0.12 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 3h30 n TYR 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3h30 n ASN 262 N 0.92 -0.97 -4.79 7.72 4.13 -0.76 0.06 115.26 121.58 3h30 n ASN 262 Ca 0.17 -1.05 -0.37 0.00 1.68 0.00 0.00 54.58 55.01 3h30 n ASN 262 Cb 0.45 -2.89 -0.06 0.00 -1.54 0.00 0.00 39.78 35.74 3h30 n ASN 262 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3h30 s ILE 263 N -3.92 4.24 -0.98 2.41 1.01 -0.49 -3.77 121.20 119.70 3h30 s ILE 263 Ca 0.08 1.78 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 3h30 s ILE 263 Cb -0.03 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.50 3h30 s ILE 263 CO 0.90 0.10 1.51 -1.83 0.00 0.00 0.00 174.94 175.62 3h30 s GLU 264 N -2.16 3.40 -0.19 2.79 -1.05 -1.26 -4.94 118.70 115.30 3h30 s GLU 264 Ca 0.51 -0.91 -0.07 0.00 -0.15 0.00 0.00 54.97 54.35 3h30 s GLU 264 Cb -0.18 -5.21 -0.04 0.00 -0.44 0.00 0.00 34.13 28.26 3h30 s GLU 264 CO 0.23 -2.38 0.05 -1.17 0.95 0.00 0.00 175.26 172.93 3h30 s LEU 265 N 5.82 3.69 0.04 1.83 2.96 -1.26 -4.98 118.68 126.78 3h30 s LEU 265 Ca 0.49 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 3h30 s LEU 265 Cb -0.02 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 3h30 s LEU 265 CO -0.06 0.15 1.56 -0.62 -1.32 0.00 0.00 176.35 176.05 3h30 s ASP 266 N 0.52 6.70 0.56 3.68 -1.08 -1.26 -4.88 116.67 120.90 3h30 s ASP 266 Ca 0.02 2.33 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 3h30 s ASP 266 Cb -0.13 -2.56 1.49 0.00 -1.46 0.00 0.00 42.92 40.25 3h30 s ASP 266 CO 0.01 -0.83 2.02 1.55 0.52 0.00 0.00 175.17 178.45 3h30 h PRO 267 N 8.20 0.00 0.00 4.34 0.13 -1.99 0.18 132.00 142.86 3h30 h PRO 267 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3h30 h PRO 267 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3h30 h PRO 267 CO 0.92 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.50 3h30 h ARG 268 N 0.00 0.00 0.23 0.86 3.08 -2.00 -0.18 114.38 116.38 3h30 h ARG 268 Ca 0.18 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.89 3h30 h ARG 268 Cb 0.82 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.90 3h30 h ARG 268 CO -0.00 0.19 -1.50 0.35 -1.07 0.00 0.00 179.97 177.93 3h30 h PHE 269 N 0.00 0.89 -0.70 3.04 3.57 -1.08 -3.24 116.94 119.42 3h30 h PHE 269 Ca -0.00 -0.65 0.02 0.00 3.53 0.00 0.00 57.97 60.87 3h30 h PHE 269 Cb 0.78 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3h30 h PHE 269 CO 0.00 1.55 0.46 -0.97 -2.23 0.00 0.00 178.31 177.12 3h30 h ASN 270 N 0.13 0.76 -0.82 0.41 -0.73 -0.78 0.23 115.58 114.79 3h30 h ASN 270 Ca -0.26 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 57.87 3h30 h ASN 270 Cb 2.14 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 40.51 3h30 h ASN 270 CO 0.25 0.54 0.38 0.44 -0.37 0.00 0.00 177.43 178.68 3h30 h ASP 271 N 0.89 1.08 -0.05 1.15 3.32 -1.12 0.34 116.42 122.03 3h30 h ASP 271 Ca 0.27 -0.14 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3h30 h ASP 271 Cb -0.02 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.27 3h30 h ASP 271 CO -0.07 0.92 -0.70 0.40 -1.72 0.00 0.00 179.24 178.07 3h30 h ILE 272 N 1.17 1.35 -0.53 0.35 2.04 -1.46 -3.25 117.51 117.18 3h30 h ILE 272 Ca 0.28 -2.03 0.07 0.00 1.00 0.00 0.00 64.86 64.18 3h30 h ILE 272 Cb 0.13 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 3h30 h ILE 272 CO -0.03 0.61 0.22 -0.07 0.00 0.00 0.00 178.15 178.88 3h30 h LEU 273 N 0.18 0.26 0.00 1.44 3.38 -0.31 -3.47 115.31 116.78 3h30 h LEU 273 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h30 h LEU 273 Cb 1.37 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3h30 h LEU 273 CO 0.14 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.46 3h30 n GLY 274 N -1.27 2.70 3.05 0.83 0.00 0.12 -4.57 105.19 106.05 3h30 n GLY 274 Ca 0.06 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3h30 n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h30 s ARG 275 N 0.00 1.80 -0.02 1.61 3.52 -1.26 -4.93 118.95 119.67 3h30 s ARG 275 Ca 0.00 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3h30 s ARG 275 Cb 0.00 -1.48 -0.00 0.00 -1.56 0.00 0.00 34.95 31.91 3h30 s ARG 275 CO 0.00 0.06 -0.10 -1.01 -0.81 0.00 0.00 175.30 173.44 3h30 s HIS 276 N 0.58 0.97 0.45 5.12 3.76 -1.26 -4.98 115.29 119.92 3h30 s HIS 276 Ca -0.14 -0.21 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 3h30 s HIS 276 Cb -0.16 -0.66 -0.09 0.00 1.11 0.00 0.00 32.58 32.79 3h30 s HIS 276 CO 0.04 -0.06 1.03 -1.54 -0.85 0.00 0.00 174.74 173.37 3h30 s SER 277 N -0.05 6.55 0.38 1.40 1.04 -1.26 -1.29 113.70 120.47 3h30 s SER 277 Ca 0.01 1.94 -0.28 0.00 0.48 0.00 0.00 55.95 58.10 3h30 s SER 277 Cb -0.06 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.38 3h30 s SER 277 CO 0.00 -0.64 1.49 -0.60 0.98 0.00 0.00 173.24 174.47 3h30 s ARG 278 N -2.97 4.10 -0.82 4.02 3.52 -1.26 -4.05 118.95 121.49 3h30 s ARG 278 Ca 0.63 2.57 -0.01 0.00 -0.13 0.00 0.00 55.73 58.79 3h30 s ARG 278 Cb -0.18 -2.96 0.20 0.00 -1.56 0.00 0.00 34.95 30.46 3h30 s ARG 278 CO 0.22 -0.54 0.68 0.21 -0.81 0.00 0.00 175.30 175.06 3h30 s LYS 279 N -2.11 3.06 0.01 5.12 2.20 0.18 -4.89 119.74 123.31 3h30 s LYS 279 Ca 0.53 -3.15 -0.11 0.00 -0.36 0.00 0.00 55.97 52.89 3h30 s LYS 279 Cb -0.46 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 3h30 s LYS 279 CO 0.63 -1.25 0.27 0.54 -0.36 0.00 0.00 175.35 175.18 3h30 n ARG 280 N 2.51 0.00 -0.37 4.03 1.74 -1.26 -4.64 116.66 118.68 3h30 n ARG 280 Ca 0.19 0.00 0.31 0.00 -0.77 0.00 0.00 57.85 57.57 3h30 n ARG 280 Cb 0.37 -0.39 0.62 0.00 -1.02 0.00 0.00 32.46 32.04 3h30 n ARG 280 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3h30 h TRP 281 N 0.75 0.41 0.00 -1.55 4.06 -1.97 0.53 115.95 118.19 3h30 h TRP 281 Ca -0.13 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.83 3h30 h TRP 281 Cb 0.39 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3h30 h TRP 281 CO 0.15 -0.02 0.00 0.93 -3.56 0.00 0.00 178.44 175.94 3h30 h GLU 282 N 0.20 0.00 0.00 0.49 3.07 -2.00 -2.97 114.58 113.37 3h30 h GLU 282 Ca 0.65 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.50 3h30 h GLU 282 Cb 2.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.96 3h30 h GLU 282 CO -0.23 0.00 -0.03 -0.09 -1.40 0.00 0.00 179.01 177.26 3h30 h ARG 283 N 0.00 0.00 -0.24 2.33 2.43 -0.19 -2.78 114.38 115.93 3h30 h ARG 283 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h30 h ARG 283 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3h30 h ARG 283 CO 0.00 0.03 0.00 1.19 -1.51 0.00 0.00 179.97 179.68 3h30 n PHE 284 N -3.20 0.30 -2.66 2.20 3.01 -1.12 -4.88 117.46 111.12 3h30 n PHE 284 Ca -0.01 -0.15 -0.41 0.00 1.01 0.00 0.00 57.45 57.89 3h30 n PHE 284 Cb 0.24 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 3h30 n PHE 284 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3h30 s VAL 285 N -1.70 4.40 0.23 -4.37 1.01 -1.05 -4.90 120.40 114.02 3h30 s VAL 285 Ca 0.35 1.93 0.01 0.00 0.00 0.00 0.00 61.98 64.27 3h30 s VAL 285 Cb 0.20 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3h30 s VAL 285 CO 0.29 0.27 0.07 -1.00 0.00 0.00 0.00 175.10 174.74 3h30 s HIS 286 N 0.20 1.41 0.47 5.22 3.76 -1.26 -5.04 115.29 120.05 3h30 s HIS 286 Ca 0.49 -1.16 0.22 0.00 -0.15 0.00 0.00 55.06 54.46 3h30 s HIS 286 Cb -0.25 -0.81 1.24 0.00 1.11 0.00 0.00 32.58 33.88 3h30 s HIS 286 CO 0.30 -0.34 1.92 0.66 -0.85 0.00 0.00 174.74 176.44 3h30 h SER 287 N 2.49 0.21 -0.83 1.40 4.64 -2.01 -0.07 113.55 119.38 3h30 h SER 287 Ca -0.38 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3h30 h SER 287 Cb 1.24 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 3h30 h SER 287 CO 0.61 0.10 0.54 1.05 -0.87 0.00 0.00 176.83 178.26 3h30 h GLU 288 N 0.22 0.85 0.00 4.77 4.11 -1.98 -3.31 114.58 119.24 3h30 h GLU 288 Ca 0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3h30 h GLU 288 Cb 1.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3h30 h GLU 288 CO -0.08 0.56 0.00 0.27 0.07 0.00 0.00 179.01 179.83 3h30 n ASN 289 N -4.50 1.95 -0.14 3.06 0.23 -0.07 -4.76 115.26 111.04 3h30 n ASN 289 Ca 0.13 -1.98 -0.01 0.00 -0.53 0.00 0.00 54.58 52.19 3h30 n ASN 289 Cb 0.25 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.18 3h30 n ASN 289 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3h30 h GLN 290 N 0.00 0.84 0.00 -3.83 4.20 -1.56 -1.97 115.11 112.79 3h30 h GLN 290 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3h30 h GLN 290 Cb 0.51 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3h30 h GLN 290 CO 0.00 0.67 0.00 -2.39 -0.67 0.00 0.00 178.83 176.44 3h30 n HIS 291 N -4.34 0.00 0.48 2.96 1.44 -1.26 -2.31 115.22 112.18 3h30 n HIS 291 Ca 0.05 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.84 3h30 n HIS 291 Cb 0.15 -0.29 -0.10 0.00 0.12 0.00 0.00 29.99 29.87 3h30 n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3h30 n LEU 292 N -1.29 0.48 -4.19 2.39 4.77 -0.74 -4.62 117.00 113.80 3h30 n LEU 292 Ca 0.06 -0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.32 3h30 n LEU 292 Cb 0.10 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 3h30 n LEU 292 CO 0.10 0.12 -0.09 -0.69 -1.33 0.00 0.00 177.39 175.50 3h30 s VAL 293 N -2.67 3.87 0.31 4.08 1.01 -0.98 -4.85 120.40 121.18 3h30 s VAL 293 Ca 0.02 -1.82 0.08 0.00 0.00 0.00 0.00 61.98 60.26 3h30 s VAL 293 Cb 0.11 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3h30 s VAL 293 CO 0.64 -0.70 0.23 -0.94 0.00 0.00 0.00 175.10 174.33 3h30 s SER 294 N 2.28 5.21 0.38 3.32 1.04 -1.26 -4.99 113.70 119.68 3h30 s SER 294 Ca 0.06 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.07 3h30 s SER 294 Cb -0.24 -1.03 0.77 0.00 0.10 0.00 0.00 66.02 65.61 3h30 s SER 294 CO -0.02 -0.25 1.98 -0.65 0.98 0.00 0.00 173.24 175.28 3h30 h PRO 295 N 1.39 0.48 -0.36 4.02 0.11 -1.99 -1.39 132.00 134.26 3h30 h PRO 295 Ca -0.45 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 3h30 h PRO 295 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h30 h PRO 295 CO 0.60 0.42 -0.22 1.05 -0.21 0.00 0.00 178.00 179.64 3h30 h GLU 296 N 0.48 0.70 -0.27 1.05 9.09 -1.96 -0.97 114.58 122.71 3h30 h GLU 296 Ca 0.12 -0.28 -0.00 0.00 0.05 0.00 0.00 59.36 59.25 3h30 h GLU 296 Cb 0.14 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 3h30 h GLU 296 CO -0.01 0.87 0.16 0.00 0.05 0.00 0.00 179.01 180.07 3h30 h ALA 297 N 1.13 0.34 -0.41 1.06 0.00 -1.68 -1.07 119.26 118.64 3h30 h ALA 297 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3h30 h ALA 297 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h30 h ALA 297 CO 0.05 -0.15 -0.22 -0.07 0.00 0.00 0.00 179.25 178.87 3h30 h LEU 298 N 0.33 0.90 -0.64 0.00 3.38 -1.17 0.51 115.31 118.62 3h30 h LEU 298 Ca 0.10 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.71 3h30 h LEU 298 Cb 0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3h30 h LEU 298 CO -0.02 1.12 0.34 -0.78 0.09 0.00 0.00 178.44 179.19 3h30 h ASP 299 N 0.69 0.50 0.09 -0.43 3.58 -1.15 0.70 116.42 120.40 3h30 h ASP 299 Ca 0.09 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 3h30 h ASP 299 Cb 0.79 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3h30 h ASP 299 CO 0.06 0.33 -0.04 0.15 -2.88 0.00 0.00 179.24 176.86 3h30 h PHE 300 N 0.64 -0.11 -0.68 0.28 3.57 -0.81 -2.34 116.94 117.49 3h30 h PHE 300 Ca 0.29 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.84 3h30 h PHE 300 Cb 0.19 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3h30 h PHE 300 CO -0.09 0.14 0.38 1.25 -2.23 0.00 0.00 178.31 177.76 3h30 h LEU 301 N -0.35 0.57 -1.63 0.59 5.85 -0.68 -1.13 115.31 118.53 3h30 h LEU 301 Ca -0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3h30 h LEU 301 Cb 0.29 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3h30 h LEU 301 CO 0.02 0.37 0.21 -0.78 -0.34 0.00 0.00 178.44 177.92 3h30 h ASP 302 N 0.71 0.40 1.13 1.25 3.58 -0.76 0.15 116.42 122.88 3h30 h ASP 302 Ca 0.30 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3h30 h ASP 302 Cb 0.18 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3h30 h ASP 302 CO -0.18 0.30 -0.36 0.29 -2.88 0.00 0.00 179.24 176.41 3h30 n LYS 303 N -4.47 0.29 -0.06 0.28 5.02 -0.51 -3.76 118.16 114.95 3h30 n LYS 303 Ca 0.02 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.24 3h30 n LYS 303 Cb 0.08 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.22 3h30 n LYS 303 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3h30 h LEU 304 N 0.00 0.18 -6.73 -0.35 3.38 -0.63 -1.94 115.31 109.22 3h30 h LEU 304 Ca 0.00 -0.69 -0.74 0.00 0.09 0.00 0.00 57.88 56.53 3h30 h LEU 304 Cb 0.75 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 3h30 h LEU 304 CO 0.00 1.65 2.02 0.18 0.09 0.00 0.00 178.44 182.37 3h30 n LEU 305 N -4.04 6.29 -4.34 1.67 4.77 0.45 -4.42 117.00 117.37 3h30 n LEU 305 Ca -0.32 -4.52 -0.32 0.00 -0.03 0.00 0.00 56.01 50.82 3h30 n LEU 305 Cb 0.84 -1.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.23 3h30 n LEU 305 CO 0.29 1.15 -0.51 -0.13 -1.33 0.00 0.00 177.39 176.86 3h30 s ARG 306 N 1.13 2.73 0.17 3.23 1.81 -1.26 -4.85 118.95 121.91 3h30 s ARG 306 Ca 0.42 -0.81 -0.16 0.00 -1.72 0.00 0.00 55.73 53.46 3h30 s ARG 306 Cb 0.07 -2.32 0.12 0.00 -0.45 0.00 0.00 34.95 32.38 3h30 s ARG 306 CO -0.00 0.40 1.67 1.88 -0.68 0.00 0.00 175.30 178.56 3h30 h TYR 307 N 6.04 -0.20 -2.93 -0.53 0.05 -1.92 -3.38 116.97 114.10 3h30 h TYR 307 Ca -0.34 0.04 -0.57 0.00 0.05 0.00 0.00 58.73 57.91 3h30 h TYR 307 Cb 1.18 0.15 -0.04 0.00 1.01 0.00 0.00 36.73 39.03 3h30 h TYR 307 CO 0.46 -0.17 1.17 0.34 -1.05 0.00 0.00 178.16 178.91 3h30 s ASP 308 N -5.22 6.08 0.48 3.88 -1.08 -1.26 -4.67 116.67 114.88 3h30 s ASP 308 Ca -0.14 0.97 0.16 0.00 -0.52 0.00 0.00 52.55 53.02 3h30 s ASP 308 Cb 0.15 -2.53 1.16 0.00 -1.46 0.00 0.00 42.92 40.24 3h30 s ASP 308 CO 0.71 -1.61 2.05 1.12 0.52 0.00 0.00 175.17 177.96 3h30 h HIS 309 N 11.85 0.21 0.00 -5.34 2.07 -1.97 -1.33 115.15 120.63 3h30 h HIS 309 Ca -0.30 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 3h30 h HIS 309 Cb 1.13 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.05 3h30 h HIS 309 CO 0.97 0.11 0.00 1.04 -3.07 0.00 0.00 177.93 176.98 3h30 n GLN 310 N -4.47 0.23 0.10 5.12 6.02 -1.26 -2.88 117.38 120.23 3h30 n GLN 310 Ca 0.04 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 3h30 n GLN 310 Cb 0.27 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.70 3h30 n GLN 310 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3h30 h SER 311 N 0.00 0.00 -4.00 1.08 0.02 -1.62 -3.48 113.55 105.55 3h30 h SER 311 Ca 0.00 -0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 3h30 h SER 311 Cb 0.54 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.20 3h30 h SER 311 CO 0.00 0.00 0.65 -0.13 -1.14 0.00 0.00 176.83 176.21 3h30 s ARG 312 N -3.36 3.55 0.29 3.45 0.52 -1.14 -4.92 118.95 117.33 3h30 s ARG 312 Ca -0.00 2.29 -0.29 0.00 -0.52 0.00 0.00 55.73 57.22 3h30 s ARG 312 Cb 0.10 -2.53 -0.14 0.00 0.52 0.00 0.00 34.95 32.90 3h30 s ARG 312 CO 0.79 -0.88 1.12 1.28 0.02 0.00 0.00 175.30 177.62 3h30 n LEU 313 N -0.44 2.30 -4.74 2.53 4.77 -0.73 -5.00 117.00 115.69 3h30 n LEU 313 Ca 0.07 1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 3h30 n LEU 313 Cb 0.43 -1.34 0.14 0.00 -2.33 0.00 0.00 43.42 40.33 3h30 n LEU 313 CO 0.56 -1.10 0.68 0.42 -1.33 0.00 0.00 177.39 176.62 3h30 s THR 314 N -0.93 2.31 0.20 -5.08 -4.23 -1.26 -4.83 115.64 101.82 3h30 s THR 314 Ca 0.60 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 3h30 s THR 314 Cb -0.68 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 70.59 3h30 s THR 314 CO 0.59 -0.13 1.81 0.00 -0.54 0.00 0.00 174.62 176.35 3h30 h ALA 315 N -1.58 0.97 -0.26 3.99 0.00 -1.94 0.11 119.26 120.55 3h30 h ALA 315 Ca -0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3h30 h ALA 315 Cb 1.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h30 h ALA 315 CO 0.59 0.51 0.08 -0.09 0.00 0.00 0.00 179.25 180.33 3h30 h ARG 316 N 1.05 0.41 -0.91 0.00 9.65 -1.93 -0.48 114.38 122.16 3h30 h ARG 316 Ca 0.26 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 3h30 h ARG 316 Cb 0.07 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 3h30 h ARG 316 CO -0.04 0.48 0.58 0.93 2.80 0.00 0.00 179.97 184.72 3h30 h GLU 317 N 0.25 1.06 -0.44 0.20 5.08 -1.85 -2.05 114.58 116.84 3h30 h GLU 317 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3h30 h GLU 317 Cb 0.25 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3h30 h GLU 317 CO -0.00 0.70 0.25 0.00 -1.00 0.00 0.00 179.01 178.96 3h30 h ALA 318 N 1.40 0.56 0.00 3.43 0.00 -0.49 -2.53 119.26 121.63 3h30 h ALA 318 Ca 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3h30 h ALA 318 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h30 h ALA 318 CO -0.15 0.08 -0.06 0.52 0.00 0.00 0.00 179.25 179.64 3h30 h MET 319 N 0.58 0.00 -0.01 0.00 2.86 -0.43 -1.11 114.93 116.82 3h30 h MET 319 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3h30 h MET 319 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3h30 h MET 319 CO -0.03 0.06 -0.15 0.39 1.06 0.00 0.00 176.91 178.24 3h30 n GLU 320 N -4.01 1.00 -2.11 1.72 -0.58 -0.85 -4.85 120.64 110.96 3h30 n GLU 320 Ca -0.03 -0.52 -0.38 0.00 -0.42 0.00 0.00 57.16 55.81 3h30 n GLU 320 Cb 0.15 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3h30 n GLU 320 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3h30 s HIS 321 N -2.36 2.73 0.64 -0.32 2.46 -0.42 -4.90 115.29 113.12 3h30 s HIS 321 Ca 0.29 1.47 0.30 0.00 0.47 0.00 0.00 55.06 57.60 3h30 s HIS 321 Cb 0.20 -3.54 1.65 0.00 -0.13 0.00 0.00 32.58 30.77 3h30 s HIS 321 CO 0.46 -1.94 1.97 -1.35 -2.47 0.00 0.00 174.74 171.41 3h30 h PRO 322 N 2.06 0.00 -0.38 2.88 0.11 -1.92 -2.04 132.00 132.71 3h30 h PRO 322 Ca -0.50 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.72 3h30 h PRO 322 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3h30 h PRO 322 CO 0.60 0.00 0.28 -0.92 -0.21 0.00 0.00 178.00 177.75 3h30 h TYR 323 N 0.00 0.00 -0.18 0.65 3.20 -1.91 -0.91 116.97 117.82 3h30 h TYR 323 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3h30 h TYR 323 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3h30 h TYR 323 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3h30 n PHE 324 N -4.39 0.22 -0.21 -3.82 3.72 -0.77 -4.73 117.46 107.48 3h30 n PHE 324 Ca 0.06 -0.12 0.01 0.00 -0.05 0.00 0.00 57.45 57.35 3h30 n PHE 324 Cb 0.46 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 3h30 n PHE 324 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3h30 h TYR 325 N 4.16 -0.17 0.12 1.38 3.20 -1.25 -2.42 116.97 121.99 3h30 h TYR 325 Ca 0.00 0.05 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 3h30 h TYR 325 Cb 0.91 0.18 0.01 0.00 1.54 0.00 0.00 36.73 39.36 3h30 h TYR 325 CO 0.11 -0.22 -1.13 1.15 -1.64 0.00 0.00 178.16 176.42 3h30 h THR 326 N 0.06 1.25 -0.04 1.81 2.02 -1.85 -3.38 112.91 112.79 3h30 h THR 326 Ca 0.33 -2.46 0.01 0.00 0.77 0.00 0.00 66.41 65.06 3h30 h THR 326 Cb 0.53 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3h30 h THR 326 CO -0.60 0.70 0.03 1.62 0.37 0.00 0.00 175.52 177.64 3h30 h VAL 327 N -0.36 0.67 -0.10 3.16 3.04 -1.76 0.38 116.25 121.28 3h30 h VAL 327 Ca -0.23 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.49 3h30 h VAL 327 Cb 1.69 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3h30 h VAL 327 CO 0.09 0.00 0.13 -0.37 -1.01 0.00 0.00 177.57 176.42 3h30 h VAL 328 N 0.00 0.41 -0.07 1.51 -1.51 -1.62 -0.38 116.25 114.59 3h30 h VAL 328 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 3h30 h VAL 328 Cb 0.09 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 3h30 h VAL 328 CO -0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 3h30 n LYS 329 N -3.69 1.16 -1.56 5.19 5.02 0.13 -4.95 118.16 119.47 3h30 n LYS 329 Ca -0.00 -0.25 -0.46 0.00 -2.02 0.00 0.00 58.31 55.58 3h30 n LYS 329 Cb 0.24 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 3h30 n LYS 329 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3h30 n ASP 330 N -0.31 0.90 -1.49 4.39 2.03 -0.16 -4.88 116.55 117.03 3h30 n ASP 330 Ca 0.03 1.16 0.08 0.00 0.52 0.00 0.00 54.79 56.59 3h30 n ASP 330 Cb 0.06 -1.22 0.34 0.00 -0.72 0.00 0.00 41.12 39.58 3h30 n ASP 330 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h30 n GLN 331 N 0.97 3.93 -3.55 -0.67 1.13 -1.26 -4.97 117.38 112.96 3h30 n GLN 331 Ca 0.12 -2.92 -0.25 0.00 -1.94 0.00 0.00 57.00 52.00 3h30 n GLN 331 Cb 0.29 -1.97 0.05 0.00 0.11 0.00 0.00 30.24 28.72 3h30 n GLN 331 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h30 n ALA 332 N 0.58 -1.21 -2.05 -1.58 0.00 -1.26 -4.95 120.51 110.04 3h30 n ALA 332 Ca 0.25 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 3h30 n ALA 332 Cb 0.97 -4.74 -0.03 0.00 0.00 0.00 0.00 19.45 15.64 3h30 n ALA 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3h30 s ARG 333 N -6.25 4.33 0.00 0.00 3.52 -1.26 -5.15 118.95 114.14 3h30 s ARG 333 Ca 0.54 2.11 0.26 0.00 -0.13 0.00 0.00 55.73 58.52 3h30 s ARG 333 Cb -0.25 -3.20 0.68 0.00 -1.56 0.00 0.00 34.95 30.62 3h30 s ARG 333 CO 0.67 -0.37 1.54 -1.33 -0.81 0.00 0.00 175.30 174.99