#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h30 s GLY 3 N 0.00 2.43 0.68 0.46 0.00 -1.26 -4.97 107.32 104.66 3h30 s GLY 3 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 3h30 s GLY 3 CO 0.00 0.05 1.09 2.56 0.00 0.00 0.00 173.10 176.80 3h30 s PRO 4 N -1.74 2.77 0.26 2.90 0.04 -1.26 -4.87 135.00 133.10 3h30 s PRO 4 Ca 0.33 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.41 3h30 s PRO 4 Cb -0.15 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3h30 s PRO 4 CO 0.18 -1.26 0.84 0.08 0.04 0.00 0.00 177.00 176.88 3h30 s VAL 5 N -2.54 4.36 0.73 -0.36 1.01 -0.28 -4.98 120.40 118.34 3h30 s VAL 5 Ca 0.64 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 64.14 3h30 s VAL 5 Cb -0.19 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3h30 s VAL 5 CO 0.45 0.25 1.07 -2.16 0.00 0.00 0.00 175.10 174.71 3h30 s PRO 6 N -1.82 2.66 0.06 2.72 0.04 -1.26 -4.88 135.00 132.52 3h30 s PRO 6 Ca 0.45 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.30 3h30 s PRO 6 Cb -0.19 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3h30 s PRO 6 CO 0.24 -1.26 -0.07 0.45 0.04 0.00 0.00 177.00 176.40 3h30 s SER 7 N -3.88 0.89 -0.00 6.66 0.15 -1.26 -5.07 113.70 111.18 3h30 s SER 7 Ca 0.59 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3h30 s SER 7 Cb -0.14 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3h30 s SER 7 CO 0.54 -0.35 -0.07 -0.13 1.20 0.00 0.00 173.24 174.44 3h30 s ARG 8 N -2.65 0.52 0.34 5.44 0.52 -1.26 -4.44 118.95 117.42 3h30 s ARG 8 Ca -0.01 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 3h30 s ARG 8 Cb -0.03 -0.49 -0.12 0.00 0.52 0.00 0.00 34.95 34.84 3h30 s ARG 8 CO -0.03 0.13 1.42 0.00 0.02 0.00 0.00 175.30 176.85 3h30 n ALA 9 N 2.78 1.88 -0.17 2.13 0.00 -1.26 -4.92 120.51 120.96 3h30 n ALA 9 Ca -0.14 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 3h30 n ALA 9 Cb 0.58 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3h30 n ALA 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h30 h ARG 10 N 3.18 0.94 -5.57 0.00 2.43 -1.96 -3.41 114.38 109.99 3h30 h ARG 10 Ca -0.48 -0.36 -0.47 0.00 -0.81 0.00 0.00 59.98 57.86 3h30 h ARG 10 Cb 1.26 -0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.61 3h30 h ARG 10 CO 0.67 1.02 -0.72 0.14 -1.51 0.00 0.00 179.97 179.57 3h30 s VAL 11 N -4.80 1.74 -1.68 0.20 -7.23 -1.26 -4.80 120.40 102.56 3h30 s VAL 11 Ca -0.12 -2.20 -0.18 0.00 -1.81 0.00 0.00 61.98 57.67 3h30 s VAL 11 Cb 0.12 -2.16 0.15 0.00 0.56 0.00 0.00 36.38 35.05 3h30 s VAL 11 CO 0.85 -0.51 0.83 -1.22 -0.31 0.00 0.00 175.10 174.74 3h30 n TYR 12 N -0.44 -1.84 -0.18 2.82 4.01 -1.26 -4.87 117.16 115.40 3h30 n TYR 12 Ca -0.07 0.82 -0.08 0.00 -0.16 0.00 0.00 57.90 58.40 3h30 n TYR 12 Cb 0.61 -3.10 0.01 0.00 -0.31 0.00 0.00 39.34 36.55 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 -1.59 1.23 -0.07 -0.72 2.02 -1.87 -3.29 112.91 108.61 3h30 h THR 13 Ca -0.59 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3h30 h THR 13 Cb 1.38 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3h30 h THR 13 CO 0.77 0.28 -0.06 0.47 0.37 0.00 0.00 175.52 177.35 3h30 n ASP 14 N -4.49 2.61 -0.07 4.18 8.00 -1.26 -4.29 116.55 121.23 3h30 n ASP 14 Ca 0.02 -3.20 -0.01 0.00 0.71 0.00 0.00 54.79 52.31 3h30 n ASP 14 Cb 0.19 -0.48 0.27 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.54 1.20 -0.10 2.53 -1.51 -1.90 -1.17 116.25 115.84 3h30 h VAL 15 Ca 0.01 -0.67 -0.16 0.00 -1.23 0.00 0.00 66.70 64.65 3h30 h VAL 15 Cb 1.13 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3h30 h VAL 15 CO 0.07 0.25 -0.61 0.78 -1.23 0.00 0.00 177.57 176.83 3h30 h ASN 16 N 0.68 0.39 -0.70 4.19 -0.26 -1.86 -2.90 115.58 115.12 3h30 h ASN 16 Ca 0.16 -0.23 -0.07 0.00 -0.56 0.00 0.00 56.30 55.60 3h30 h ASN 16 Cb 0.22 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 3h30 h ASN 16 CO -0.01 0.91 0.16 0.74 -1.06 0.00 0.00 177.43 178.17 3h30 h THR 17 N 0.26 1.26 0.00 2.81 2.02 -1.62 -2.67 112.91 114.97 3h30 h THR 17 Ca -0.01 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3h30 h THR 17 Cb 1.13 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3h30 h THR 17 CO 0.10 0.38 0.00 0.45 0.37 0.00 0.00 175.52 176.82 3h30 h HIS 18 N 1.07 0.00 -3.78 3.16 3.86 -1.28 -3.44 115.15 114.74 3h30 h HIS 18 Ca 0.22 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.93 3h30 h HIS 18 Cb 0.39 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.88 3h30 h HIS 18 CO 0.03 0.00 0.17 1.03 0.86 0.00 0.00 177.93 180.02 3h30 s ARG 19 N -3.31 3.69 0.70 2.45 0.52 -1.01 -5.06 118.95 116.93 3h30 s ARG 19 Ca 0.06 0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 55.59 3h30 s ARG 19 Cb 0.06 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 33.22 3h30 s ARG 19 CO 0.64 -0.18 1.10 -1.25 0.02 0.00 0.00 175.30 175.63 3h30 s PRO 20 N -4.32 2.65 0.30 3.54 0.04 -1.26 -4.91 135.00 131.04 3h30 s PRO 20 Ca 0.51 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.87 3h30 s PRO 20 Cb -0.10 -1.94 0.79 0.00 0.04 0.00 0.00 34.50 33.29 3h30 s PRO 20 CO 0.39 -1.35 1.66 -0.09 0.04 0.00 0.00 177.00 177.65 3h30 h ARG 21 N -0.41 0.28 0.00 4.56 2.43 -1.93 -1.35 114.38 117.97 3h30 h ARG 21 Ca -0.45 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3h30 h ARG 21 Cb 1.24 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3h30 h ARG 21 CO 0.53 0.19 -0.04 0.93 -1.51 0.00 0.00 179.97 180.08 3h30 h GLU 22 N 0.29 0.00 -0.51 0.20 3.07 -1.90 0.40 114.58 116.12 3h30 h GLU 22 Ca 0.59 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.47 3h30 h GLU 22 Cb 1.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 3h30 h GLU 22 CO -0.61 0.04 0.31 -0.92 -1.40 0.00 0.00 179.01 176.43 3h30 h TYR 23 N 0.00 0.58 0.00 4.33 3.20 -1.60 -3.34 116.97 120.14 3h30 h TYR 23 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h30 h TYR 23 Cb 0.24 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3h30 h TYR 23 CO 0.00 0.34 -0.22 -2.67 -1.64 0.00 0.00 178.16 173.96 3h30 n TRP 24 N -4.79 0.00 -2.56 -3.82 4.27 -0.85 -4.80 117.44 104.89 3h30 n TRP 24 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 3h30 n TRP 24 Cb 0.07 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.02 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 -1.11 4.96 0.24 -0.67 2.03 0.08 -4.78 116.55 117.29 3h30 n ASP 25 Ca 0.01 -2.98 0.10 0.00 0.52 0.00 0.00 54.79 52.44 3h30 n ASP 25 Cb 0.07 -1.59 0.58 0.00 -0.72 0.00 0.00 41.12 39.46 3h30 n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3h30 h TYR 26 N 6.71 0.00 -0.04 -0.67 -0.00 -1.87 -2.41 116.97 118.68 3h30 h TYR 26 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.08 3h30 h TYR 26 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.50 3h30 h TYR 26 CO 1.25 0.19 -0.19 0.93 -0.00 0.00 0.00 178.16 180.35 3h30 h GLU 27 N 0.00 0.07 0.00 0.10 5.08 -1.89 -2.27 114.58 115.67 3h30 h GLU 27 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3h30 h GLU 27 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3h30 h GLU 27 CO 0.03 0.26 0.00 0.66 -1.00 0.00 0.00 179.01 178.96 3h30 h SER 28 N 0.07 0.00 -2.65 1.42 4.64 -1.84 -3.46 113.55 111.72 3h30 h SER 28 Ca 0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 3h30 h SER 28 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h30 h SER 28 CO 0.03 0.00 1.04 -2.28 -0.87 0.00 0.00 176.83 174.75 3h30 s HIS 29 N -3.17 2.15 -0.29 4.77 5.04 -0.85 -4.98 115.29 117.95 3h30 s HIS 29 Ca 0.08 0.27 -0.22 0.00 -1.54 0.00 0.00 55.06 53.66 3h30 s HIS 29 Cb 0.08 -3.90 -0.01 0.00 0.04 0.00 0.00 32.58 28.79 3h30 s HIS 29 CO 0.63 -3.73 0.70 0.08 -2.34 0.00 0.00 174.74 170.08 3h30 s VAL 30 N 3.59 4.88 0.21 0.89 1.01 -1.26 -5.03 120.40 124.70 3h30 s VAL 30 Ca 0.73 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3h30 s VAL 30 Cb -0.34 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 3h30 s VAL 30 CO 0.30 -0.15 1.14 -0.69 0.00 0.00 0.00 175.10 175.70 3h30 s VAL 31 N 2.74 3.61 -0.26 2.92 1.01 -1.26 -5.03 120.40 124.13 3h30 s VAL 31 Ca 0.29 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 3h30 s VAL 31 Cb -0.15 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3h30 s VAL 31 CO 0.11 0.27 -0.06 -1.61 0.00 0.00 0.00 175.10 173.81 3h30 s GLU 32 N -0.67 2.69 -0.06 2.72 2.02 -1.26 -5.10 118.70 119.04 3h30 s GLU 32 Ca 0.49 -1.07 -0.18 0.00 0.02 0.00 0.00 54.97 54.24 3h30 s GLU 32 Cb -0.32 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 3h30 s GLU 32 CO 0.38 -0.45 0.48 -1.58 0.02 0.00 0.00 175.26 174.11 3h30 s TRP 33 N 1.28 3.61 0.75 1.61 0.52 -1.26 -4.70 118.94 120.74 3h30 s TRP 33 Ca -0.02 0.98 -0.13 0.00 0.02 0.00 0.00 56.10 56.95 3h30 s TRP 33 Cb -0.17 -2.49 0.18 0.00 -1.15 0.00 0.00 33.47 29.83 3h30 s TRP 33 CO -0.04 0.33 0.93 0.41 0.02 0.00 0.00 176.95 178.60 3h30 n GLY 34 N 2.71 -1.68 3.43 0.98 0.00 -0.30 -4.99 105.19 105.34 3h30 n GLY 34 Ca -0.09 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 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 -4.33 6.38 0.61 1.61 0.01 -1.26 -4.77 114.94 113.19 3h30 s ASN 35 Ca 0.54 -1.60 0.29 0.00 -0.71 0.00 0.00 52.86 51.39 3h30 s ASN 35 Cb -0.02 -2.37 1.58 0.00 0.41 0.00 0.00 41.25 40.84 3h30 s ASN 35 CO 0.39 -1.17 1.96 0.06 -1.51 0.00 0.00 177.10 176.82 3h30 h GLN 36 N 9.10 0.00 0.00 -0.60 -0.00 -1.94 -0.14 115.11 121.54 3h30 h GLN 36 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 3h30 h GLN 36 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.53 3h30 h GLN 36 CO 1.11 0.00 -0.01 -0.44 -0.00 0.00 0.00 178.83 179.49 3h30 h ASP 37 N 0.00 0.00 -0.28 0.06 3.32 -1.98 -2.05 116.42 115.50 3h30 h ASP 37 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h30 h ASP 37 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3h30 h ASP 37 CO -0.00 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 178.00 3h30 n ASP 38 N -3.15 2.11 -4.02 6.45 8.00 -0.06 -4.84 116.55 121.03 3h30 n ASP 38 Ca -0.02 -1.85 -0.28 0.00 0.71 0.00 0.00 54.79 53.35 3h30 n ASP 38 Cb 0.14 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.89 3h30 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h30 s TYR 39 N -1.63 1.94 -0.15 1.24 2.02 -0.77 -1.26 117.35 118.74 3h30 s TYR 39 Ca 0.32 -0.96 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 3h30 s TYR 39 Cb 0.17 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 3h30 s TYR 39 CO 0.25 -0.53 -0.20 -0.65 -1.57 0.00 0.00 175.55 172.85 3h30 s GLN 40 N 1.21 2.86 0.15 -0.62 -0.21 -0.82 -4.97 119.66 117.26 3h30 s GLN 40 Ca -0.02 -0.79 -0.31 0.00 0.02 0.00 0.00 55.36 54.26 3h30 s GLN 40 Cb -0.14 -2.38 -0.08 0.00 1.00 0.00 0.00 33.01 31.41 3h30 s GLN 40 CO -0.05 -0.09 1.35 -0.51 -2.12 0.00 0.00 175.29 173.88 3h30 s LEU 41 N 1.02 4.39 -0.25 2.90 1.43 -1.26 -1.98 118.68 124.92 3h30 s LEU 41 Ca -0.03 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 3h30 s LEU 41 Cb -0.15 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 42.33 3h30 s LEU 41 CO -0.06 -0.60 -0.16 0.52 0.23 0.00 0.00 176.35 176.29 3h30 n VAL 42 N 3.41 1.54 -3.55 -1.59 0.31 0.23 -4.96 118.33 113.73 3h30 n VAL 42 Ca 0.09 -0.34 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 3h30 n VAL 42 Cb 0.43 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.48 0.88 0.13 5.55 1.70 -1.15 -5.01 118.95 118.57 3h30 s ARG 43 Ca -0.35 -0.36 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 3h30 s ARG 43 Cb 0.11 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 3h30 s ARG 43 CO 0.55 -0.39 0.73 0.21 -1.08 0.00 0.00 175.30 175.32 3h30 s LYS 44 N -3.14 4.49 -0.07 3.89 2.20 -1.26 -1.01 119.74 124.84 3h30 s LYS 44 Ca 0.06 1.06 0.17 0.00 -0.36 0.00 0.00 55.97 56.90 3h30 s LYS 44 Cb -0.01 -3.28 -0.25 0.00 -1.51 0.00 0.00 37.83 32.78 3h30 s LYS 44 CO -0.07 0.53 0.28 1.28 -0.36 0.00 0.00 175.35 177.01 3h30 n LEU 45 N 1.84 0.00 0.00 5.43 4.77 0.98 -4.85 117.00 125.17 3h30 n LEU 45 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3h30 n LEU 45 Cb 0.49 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3h30 n LEU 45 CO 0.45 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3h30 n GLY 46 N 1.66 -2.43 2.87 -0.72 0.00 -1.16 -5.01 105.19 100.39 3h30 n GLY 46 Ca -0.11 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 3h30 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h30 s ARG 47 N -1.92 0.18 0.61 1.61 1.70 -1.26 -0.51 118.95 119.36 3h30 s ARG 47 Ca 0.00 0.47 0.05 0.00 -0.47 0.00 0.00 55.73 55.78 3h30 s ARG 47 Cb 0.00 -0.63 0.09 0.00 -0.57 0.00 0.00 34.95 33.84 3h30 s ARG 47 CO 0.00 -0.50 0.83 0.20 -1.08 0.00 0.00 175.30 174.76 3h30 s GLY 48 N 2.39 1.77 0.52 3.88 0.00 0.14 -5.00 107.32 111.02 3h30 s GLY 48 Ca 0.05 -1.89 0.27 0.00 0.00 0.00 0.00 44.72 43.15 3h30 s GLY 48 CO -0.11 -1.44 2.08 0.50 0.00 0.00 0.00 173.10 174.13 3h30 h LYS 49 N -0.02 0.00 -0.01 2.90 1.57 -2.02 -3.14 116.57 115.86 3h30 h LYS 49 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3h30 h LYS 49 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3h30 h LYS 49 CO 0.42 0.11 -0.02 0.66 -0.57 0.00 0.00 179.45 180.05 3h30 n TYR 50 N -3.70 0.00 -3.58 -1.35 4.01 -1.26 -4.85 117.16 106.44 3h30 n TYR 50 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 3h30 n TYR 50 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.72 -0.29 0.03 7.72 1.04 -1.19 -1.23 113.70 119.07 3h30 s SER 51 Ca 0.09 -0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.49 3h30 s SER 51 Cb 0.07 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3h30 s SER 51 CO 0.11 -0.65 -0.25 -1.61 0.98 0.00 0.00 173.24 171.81 3h30 s GLU 52 N -3.08 1.83 -0.05 4.02 2.02 0.50 -0.68 118.70 123.25 3h30 s GLU 52 Ca 0.08 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.09 3h30 s GLU 52 Cb -0.01 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 3h30 s GLU 52 CO -0.06 0.51 -0.21 0.08 0.02 0.00 0.00 175.26 175.60 3h30 s VAL 53 N -0.74 1.77 0.00 2.63 1.01 0.33 0.48 120.40 125.89 3h30 s VAL 53 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3h30 s VAL 53 Cb -0.10 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 3h30 s VAL 53 CO 0.01 0.50 -0.02 -0.36 0.00 0.00 0.00 175.10 175.23 3h30 s PHE 54 N -0.08 0.21 0.27 5.22 0.08 0.56 -0.01 117.98 124.21 3h30 s PHE 54 Ca -0.03 -0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 3h30 s PHE 54 Cb -0.13 -0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 3h30 s PHE 54 CO 0.03 -0.02 1.09 -2.00 -0.10 0.00 0.00 175.22 174.22 3h30 s GLU 55 N -0.20 4.66 0.22 0.44 2.12 -0.18 -0.46 118.70 125.29 3h30 s GLU 55 Ca -0.01 1.77 -0.07 0.00 0.36 0.00 0.00 54.97 57.02 3h30 s GLU 55 Cb -0.02 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3h30 s GLU 55 CO -0.00 0.23 0.31 0.00 -0.54 0.00 0.00 175.26 175.25 3h30 s ALA 56 N -1.08 0.38 -0.00 6.30 0.00 -0.15 -0.60 121.76 126.61 3h30 s ALA 56 Ca 0.45 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 51.25 3h30 s ALA 56 Cb -0.31 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 3h30 s ALA 56 CO 0.40 -0.72 -0.20 -1.50 0.00 0.00 0.00 175.76 173.74 3h30 s ILE 57 N -4.07 1.60 -0.41 0.00 2.07 -0.84 -1.17 121.20 118.38 3h30 s ILE 57 Ca 0.29 -0.94 -0.22 0.00 -1.41 0.00 0.00 60.65 58.37 3h30 s ILE 57 Cb 0.03 -1.34 0.02 0.00 0.13 0.00 0.00 42.46 41.29 3h30 s ILE 57 CO 0.09 0.39 0.71 0.21 -1.91 0.00 0.00 174.94 174.42 3h30 s ASN 58 N -0.64 6.41 0.49 4.50 3.84 0.57 -1.95 114.94 128.15 3h30 s ASN 58 Ca 0.08 -0.05 0.28 0.00 0.21 0.00 0.00 52.86 53.38 3h30 s ASN 58 Cb -0.08 -2.35 0.98 0.00 -0.55 0.00 0.00 41.25 39.25 3h30 s ASN 58 CO -0.00 -0.77 1.84 0.16 -2.79 0.00 0.00 177.10 175.54 3h30 h ILE 59 N 5.84 0.16 0.00 -5.21 3.07 -1.50 0.34 117.51 120.21 3h30 h ILE 59 Ca -0.25 -0.83 -0.08 0.00 1.55 0.00 0.00 64.86 65.25 3h30 h ILE 59 Cb 1.10 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 39.35 3h30 h ILE 59 CO 0.90 0.07 -0.39 0.71 -1.05 0.00 0.00 178.15 178.39 3h30 h THR 60 N 0.00 0.94 0.00 0.16 1.35 -1.93 -3.37 112.91 110.05 3h30 h THR 60 Ca -0.00 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3h30 h THR 60 Cb 0.71 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3h30 h THR 60 CO 0.01 0.38 0.00 -0.46 -0.25 0.00 0.00 175.52 175.20 3h30 n ASN 61 N -3.58 0.16 -2.28 5.36 0.23 -1.14 -5.03 115.26 108.98 3h30 n ASN 61 Ca -0.00 -1.03 -0.20 0.00 -0.53 0.00 0.00 54.58 52.81 3h30 n ASN 61 Cb 0.51 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.02 -5.79 -4.75 0.53 5.03 0.12 -4.99 115.26 105.38 3h30 n ASN 62 Ca 0.00 0.02 -0.40 0.00 0.87 0.00 0.00 54.58 55.07 3h30 n ASN 62 Cb 0.29 -4.83 -0.06 0.00 -1.02 0.00 0.00 39.78 34.16 3h30 n ASN 62 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3h30 s GLU 63 N -4.93 4.83 -0.05 3.52 2.12 -1.14 -4.82 118.70 118.24 3h30 s GLU 63 Ca 0.00 1.47 -0.22 0.00 0.36 0.00 0.00 54.97 56.59 3h30 s GLU 63 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 3h30 s GLU 63 CO 0.00 0.50 0.63 0.15 -0.54 0.00 0.00 175.26 176.00 3h30 s LYS 64 N -1.25 4.38 0.27 4.30 1.02 -1.26 -0.32 119.74 126.88 3h30 s LYS 64 Ca 0.42 0.76 0.02 0.00 0.02 0.00 0.00 55.97 57.19 3h30 s LYS 64 Cb -0.25 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 3h30 s LYS 64 CO 0.31 0.20 0.12 0.14 -0.92 0.00 0.00 175.35 175.21 3h30 s VAL 65 N 0.37 0.43 -0.12 3.17 -7.23 -0.32 -3.09 120.40 113.61 3h30 s VAL 65 Ca 0.33 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3h30 s VAL 65 Cb -0.18 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.19 3h30 s VAL 65 CO 0.17 0.00 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.06 3h30 s VAL 66 N -3.72 2.26 -0.19 1.32 1.01 -0.36 -0.97 120.40 119.75 3h30 s VAL 66 Ca 0.37 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3h30 s VAL 66 Cb 0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3h30 s VAL 66 CO 0.15 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.11 3h30 s VAL 67 N 0.56 4.08 -0.40 2.92 1.01 0.39 0.04 120.40 129.01 3h30 s VAL 67 Ca -0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3h30 s VAL 67 Cb -0.17 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3h30 s VAL 67 CO 0.04 0.44 0.20 -0.75 0.00 0.00 0.00 175.10 175.02 3h30 s LYS 68 N 0.84 2.29 -0.52 2.72 2.20 0.01 -0.33 119.74 126.95 3h30 s LYS 68 Ca 0.01 -1.61 -0.28 0.00 -0.36 0.00 0.00 55.97 53.72 3h30 s LYS 68 Cb -0.14 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.61 3h30 s LYS 68 CO 0.02 -0.97 1.15 0.42 -0.36 0.00 0.00 175.35 175.61 3h30 s ILE 69 N 1.26 4.14 0.12 5.43 1.01 0.18 -1.25 121.20 132.08 3h30 s ILE 69 Ca 0.04 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 3h30 s ILE 69 Cb -0.23 -4.65 -0.06 0.00 0.01 0.00 0.00 42.46 37.53 3h30 s ILE 69 CO -0.01 -1.15 1.05 -0.76 0.00 0.00 0.00 174.94 174.07 3h30 s LEU 70 N 4.64 4.46 0.73 2.97 1.02 -0.47 -0.37 118.68 131.66 3h30 s LEU 70 Ca 0.45 1.93 -0.11 0.00 0.02 0.00 0.00 54.13 56.42 3h30 s LEU 70 Cb -0.07 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.57 3h30 s LEU 70 CO 0.29 -0.21 1.08 -0.54 0.02 0.00 0.00 176.35 176.99 3h30 s LYS 71 N 0.11 2.69 0.00 1.70 1.02 -0.36 -4.32 119.74 120.58 3h30 s LYS 71 Ca 0.50 0.64 -0.40 0.00 0.02 0.00 0.00 55.97 56.74 3h30 s LYS 71 Cb -0.26 -1.99 -0.20 0.00 -0.52 0.00 0.00 37.83 34.86 3h30 s LYS 71 CO 0.32 -1.19 1.09 -2.30 -0.92 0.00 0.00 175.35 172.34 3h30 n PRO 72 N -3.15 0.07 -3.57 -1.68 -0.02 -1.26 -4.94 135.00 120.46 3h30 n PRO 72 Ca 0.07 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3h30 n PRO 72 Cb 0.56 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.04 0.00 0.58 -1.45 0.11 -1.26 -5.11 120.40 113.31 3h30 s VAL 73 Ca 0.91 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.76 3h30 s VAL 73 Cb -1.25 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.56 3h30 s VAL 73 CO 0.56 0.00 1.17 0.29 -3.33 0.00 0.00 175.10 173.79 3h30 n LYS 74 N 0.55 1.23 -0.01 1.54 5.02 -1.26 -4.91 118.16 120.31 3h30 n LYS 74 Ca -0.09 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.56 3h30 n LYS 74 Cb 0.58 -2.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.18 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 0.87 0.07 0.00 1.97 1.57 -2.01 -2.73 116.57 116.30 3h30 h LYS 75 Ca -0.49 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 3h30 h LYS 75 Cb 1.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3h30 h LYS 75 CO 0.54 0.04 -0.18 1.57 -0.57 0.00 0.00 179.45 180.85 3h30 h LYS 76 N 0.07 0.00 -0.54 3.15 2.10 -1.96 -0.39 116.57 118.99 3h30 h LYS 76 Ca 0.06 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.60 3h30 h LYS 76 Cb 0.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 3h30 h LYS 76 CO -0.09 0.18 -0.09 0.87 -2.00 0.00 0.00 179.45 178.33 3h30 h LYS 77 N 0.00 1.00 0.09 0.07 1.79 -1.86 -1.68 116.57 115.97 3h30 h LYS 77 Ca -0.00 -0.35 -0.29 0.00 -2.18 0.00 0.00 60.65 57.82 3h30 h LYS 77 Cb 0.48 -0.07 0.03 0.00 -1.58 0.00 0.00 32.23 31.09 3h30 h LYS 77 CO 0.02 1.03 -1.19 0.82 -1.08 0.00 0.00 179.45 179.06 3h30 h ILE 78 N 0.90 1.29 -0.55 1.86 1.08 -1.28 -2.55 117.51 118.25 3h30 h ILE 78 Ca 0.14 -2.42 0.10 0.00 -0.39 0.00 0.00 64.86 62.29 3h30 h ILE 78 Cb 0.64 2.61 -0.08 0.00 -3.07 0.00 0.00 36.82 36.93 3h30 h ILE 78 CO 0.04 0.74 0.12 0.11 -0.69 0.00 0.00 178.15 178.47 3h30 h LYS 79 N 0.30 0.25 0.13 2.37 1.57 -1.07 0.51 116.57 120.62 3h30 h LYS 79 Ca -0.17 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3h30 h LYS 79 Cb 1.86 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.09 3h30 h LYS 79 CO 0.23 0.16 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.02 3h30 h ARG 80 N 0.25 -0.32 -0.74 3.15 2.43 -1.32 0.48 114.38 118.32 3h30 h ARG 80 Ca 0.28 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3h30 h ARG 80 Cb 0.40 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3h30 h ARG 80 CO -0.36 -0.21 0.49 1.49 -1.51 0.00 0.00 179.97 179.86 3h30 h GLU 81 N -0.33 0.97 -0.17 0.20 4.81 -0.98 0.17 114.58 119.25 3h30 h GLU 81 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3h30 h GLU 81 Cb 0.33 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3h30 h GLU 81 CO -0.06 0.65 0.07 0.82 -0.73 0.00 0.00 179.01 179.75 3h30 h ILE 82 N 1.00 1.16 -0.68 2.32 2.04 -0.77 0.09 117.51 122.66 3h30 h ILE 82 Ca 0.27 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3h30 h ILE 82 Cb -0.11 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3h30 h ILE 82 CO -0.06 0.15 0.33 0.50 0.00 0.00 0.00 178.15 179.07 3h30 h LYS 83 N 0.12 0.98 -0.45 2.37 1.63 -0.56 0.06 116.57 120.72 3h30 h LYS 83 Ca 0.06 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3h30 h LYS 83 Cb 0.17 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3h30 h LYS 83 CO -0.00 0.77 0.22 0.82 -3.45 0.00 0.00 179.45 177.81 3h30 h ILE 84 N 0.95 1.18 -0.68 2.00 2.04 -0.45 -0.45 117.51 122.09 3h30 h ILE 84 Ca 0.24 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 3h30 h ILE 84 Cb 0.11 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3h30 h ILE 84 CO -0.03 0.19 0.16 -0.07 0.00 0.00 0.00 178.15 178.40 3h30 h LEU 85 N 0.58 1.03 -0.61 1.44 3.38 -0.64 -1.69 115.31 118.81 3h30 h LEU 85 Ca 0.15 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3h30 h LEU 85 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3h30 h LEU 85 CO -0.02 1.00 -0.10 -0.33 0.09 0.00 0.00 178.44 179.08 3h30 h GLU 86 N 1.03 1.00 -0.26 1.13 5.08 -0.79 -1.70 114.58 120.08 3h30 h GLU 86 Ca 0.21 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3h30 h GLU 86 Cb 0.37 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3h30 h GLU 86 CO 0.00 1.04 -0.10 -0.91 -1.00 0.00 0.00 179.01 178.04 3h30 h ASN 87 N 0.90 0.40 -0.29 1.42 2.35 -0.80 -2.87 115.58 116.69 3h30 h ASN 87 Ca 0.14 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h30 h ASN 87 Cb 0.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3h30 h ASN 87 CO 0.05 0.55 0.00 0.18 -1.65 0.00 0.00 177.43 176.55 3h30 n LEU 88 N -4.24 2.73 -4.72 1.61 4.77 -0.66 -4.95 117.00 111.54 3h30 n LEU 88 Ca 0.00 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 3h30 n LEU 88 Cb 0.29 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h30 n LEU 88 CO 0.39 0.58 1.35 -0.60 -1.33 0.00 0.00 177.39 177.77 3h30 s ARG 89 N -1.64 4.14 0.00 3.23 3.52 -0.65 -1.90 118.95 125.65 3h30 s ARG 89 Ca 0.36 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 3h30 s ARG 89 Cb 0.20 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 3h30 s ARG 89 CO 0.29 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 3h30 n GLY 90 N 3.91 2.13 3.74 8.12 0.00 -1.26 -5.05 105.19 116.76 3h30 n GLY 90 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.95 1.93 0.12 -0.02 0.00 -0.80 -4.93 107.32 101.67 3h30 s GLY 91 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 44.72 44.94 3h30 s GLY 91 CO 0.00 0.91 1.50 2.56 0.00 0.00 0.00 173.10 178.07 3h30 s PRO 92 N -4.45 4.26 -1.59 2.90 0.04 -1.26 -3.33 135.00 131.56 3h30 s PRO 92 Ca 0.67 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.91 3h30 s PRO 92 Cb -0.22 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3h30 s PRO 92 CO 0.51 -0.56 0.15 0.09 0.04 0.00 0.00 177.00 177.23 3h30 n ASN 93 N 4.34 -5.62 -4.33 6.66 3.02 -1.26 -3.79 115.26 114.27 3h30 n ASN 93 Ca 0.13 -0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 3h30 n ASN 93 Cb 0.41 -4.60 -0.15 0.00 -0.61 0.00 0.00 39.78 34.82 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 -3.01 2.47 0.28 2.41 1.01 -1.21 -0.60 121.20 122.55 3h30 s ILE 94 Ca 0.08 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3h30 s ILE 94 Cb -0.03 -1.94 -0.14 0.00 0.01 0.00 0.00 42.46 40.35 3h30 s ILE 94 CO 0.09 0.57 1.03 0.00 0.00 0.00 0.00 174.94 176.63 3h30 n ILE 95 N 2.92 1.89 -3.79 2.92 3.06 -1.08 -4.81 119.36 120.47 3h30 n ILE 95 Ca -0.17 -0.47 -0.37 0.00 -2.50 0.00 0.00 62.75 59.23 3h30 n ILE 95 Cb 0.52 -1.00 -0.13 0.00 0.54 0.00 0.00 39.64 39.58 3h30 n ILE 95 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 3h30 s THR 96 N -0.97 3.70 0.24 9.51 2.01 -1.26 -4.84 115.64 124.02 3h30 s THR 96 Ca 0.60 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3h30 s THR 96 Cb -0.71 -2.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 3h30 s THR 96 CO 0.59 -0.02 1.24 -0.22 -0.69 0.00 0.00 174.62 175.52 3h30 s LEU 97 N 1.42 4.46 -0.10 4.42 2.96 -1.26 -0.97 118.68 129.60 3h30 s LEU 97 Ca 0.00 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 56.35 3h30 s LEU 97 Cb -0.18 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 3h30 s LEU 97 CO 0.02 -0.41 -0.03 0.00 -1.32 0.00 0.00 176.35 174.61 3h30 n ALA 98 N 1.92 1.76 -3.53 5.97 0.00 0.28 -4.84 120.51 122.07 3h30 n ALA 98 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 3h30 n ALA 98 Cb 0.43 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 3h30 n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h30 s ASP 99 N -4.60 -0.39 -0.08 0.00 -0.00 -1.10 -5.01 116.67 105.49 3h30 s ASP 99 Ca -0.10 0.20 0.03 0.00 -0.00 0.00 0.00 52.55 52.68 3h30 s ASP 99 Cb 0.03 0.37 0.01 0.00 -0.00 0.00 0.00 42.92 43.33 3h30 s ASP 99 CO 0.33 -0.52 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.18 3h30 s ILE 100 N -2.25 1.49 0.20 0.77 1.09 -1.26 -1.13 121.20 120.11 3h30 s ILE 100 Ca 0.01 -0.68 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 3h30 s ILE 100 Cb -0.01 -1.33 -0.05 0.00 -1.06 0.00 0.00 42.46 40.01 3h30 s ILE 100 CO -0.04 0.43 0.00 0.68 -0.10 0.00 0.00 174.94 175.92 3h30 s VAL 101 N 0.62 0.84 -0.01 2.92 -7.23 -0.64 -1.15 120.40 115.76 3h30 s VAL 101 Ca -0.15 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.02 3h30 s VAL 101 Cb -0.16 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3h30 s VAL 101 CO 0.04 -0.38 0.02 -0.54 -0.31 0.00 0.00 175.10 173.93 3h30 s LYS 102 N -3.89 2.87 0.32 4.82 1.02 -1.26 -0.27 119.74 123.34 3h30 s LYS 102 Ca 0.27 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 3h30 s LYS 102 Cb 0.06 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3h30 s LYS 102 CO 0.07 0.63 1.41 -0.51 -0.92 0.00 0.00 175.35 176.03 3h30 s ASP 103 N -1.57 6.59 0.30 2.83 1.11 -0.40 -4.90 116.67 120.63 3h30 s ASP 103 Ca 0.20 2.80 0.00 0.00 0.18 0.00 0.00 52.55 55.73 3h30 s ASP 103 Cb -0.12 -2.65 0.48 0.00 1.07 0.00 0.00 42.92 41.71 3h30 s ASP 103 CO 0.11 -0.70 1.88 -0.65 1.18 0.00 0.00 175.17 176.99 3h30 h PRO 104 N 3.83 0.80 0.00 8.23 0.11 -1.98 -3.03 132.00 139.95 3h30 h PRO 104 Ca -0.49 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 65.44 3h30 h PRO 104 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h30 h PRO 104 CO 0.69 0.68 -1.08 0.28 -0.21 0.00 0.00 178.00 178.36 3h30 n VAL 105 N -4.32 1.46 0.23 3.15 0.31 -1.26 -4.69 118.33 113.21 3h30 n VAL 105 Ca 0.04 0.11 0.11 0.00 -0.01 0.00 0.00 64.34 64.59 3h30 n VAL 105 Cb 0.18 -2.22 0.47 0.00 -0.91 0.00 0.00 33.84 31.36 3h30 n VAL 105 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3h30 h SER 106 N -0.90 0.00 -6.19 4.52 4.64 -1.99 -3.47 113.55 110.17 3h30 h SER 106 Ca -0.08 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.80 3h30 h SER 106 Cb 0.98 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.09 3h30 h SER 106 CO -0.05 0.18 -0.84 0.54 -0.87 0.00 0.00 176.83 175.80 3h30 n ARG 107 N -3.31 -4.62 -4.35 4.77 5.12 -1.15 -4.98 116.66 108.15 3h30 n ARG 107 Ca 0.01 0.57 -0.24 0.00 -1.93 0.00 0.00 57.85 56.26 3h30 n ARG 107 Cb 0.42 -5.07 -0.08 0.00 -1.16 0.00 0.00 32.46 26.57 3h30 n ARG 107 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3h30 s THR 108 N -3.70 3.12 0.51 0.55 -4.23 -1.26 -4.86 115.64 105.77 3h30 s THR 108 Ca 0.05 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.34 3h30 s THR 108 Cb -0.02 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 3h30 s THR 108 CO 0.83 -0.33 1.14 -2.16 -0.54 0.00 0.00 174.62 173.55 3h30 s PRO 109 N -3.47 3.50 -0.04 3.99 0.04 -1.26 -1.28 135.00 136.47 3h30 s PRO 109 Ca 0.30 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.00 3h30 s PRO 109 Cb -0.06 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.36 3h30 s PRO 109 CO 0.18 -0.74 -0.06 0.00 0.04 0.00 0.00 177.00 176.42 3h30 s ALA 110 N -1.71 0.75 -0.16 8.56 0.00 0.63 -1.37 121.76 128.46 3h30 s ALA 110 Ca 0.70 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 3h30 s ALA 110 Cb -0.25 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3h30 s ALA 110 CO 0.29 0.02 0.31 -0.51 0.00 0.00 0.00 175.76 175.87 3h30 s LEU 111 N 0.81 4.24 -0.45 0.00 1.43 -0.38 -1.62 118.68 122.70 3h30 s LEU 111 Ca -0.12 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 3h30 s LEU 111 Cb -0.14 -2.40 0.08 0.00 0.03 0.00 0.00 46.19 43.75 3h30 s LEU 111 CO 0.01 0.08 0.35 -0.69 0.23 0.00 0.00 176.35 176.33 3h30 s VAL 112 N 0.54 4.87 0.41 -1.59 1.01 -0.28 -0.81 120.40 124.54 3h30 s VAL 112 Ca 0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3h30 s VAL 112 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3h30 s VAL 112 CO 0.04 -0.56 0.66 -0.36 0.00 0.00 0.00 175.10 174.89 3h30 s PHE 113 N 1.56 3.53 0.67 5.22 0.08 0.11 0.98 117.98 130.13 3h30 s PHE 113 Ca 0.04 0.61 -0.14 0.00 0.12 0.00 0.00 56.93 57.56 3h30 s PHE 113 Cb -0.24 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 3h30 s PHE 113 CO 0.05 -0.06 1.09 -1.21 -0.10 0.00 0.00 175.22 174.98 3h30 s GLU 114 N -4.43 2.84 0.25 0.44 2.02 -0.14 -1.22 118.70 118.46 3h30 s GLU 114 Ca 0.44 1.26 -0.29 0.00 0.02 0.00 0.00 54.97 56.39 3h30 s GLU 114 Cb -0.10 -1.97 -0.14 0.00 0.10 0.00 0.00 34.13 32.02 3h30 s GLU 114 CO 0.39 -1.20 1.06 1.58 0.02 0.00 0.00 175.26 177.12 3h30 n HIS 115 N -2.60 1.30 -4.25 1.61 -0.00 -1.18 -4.41 115.22 105.69 3h30 n HIS 115 Ca 0.09 0.69 -0.17 0.00 -0.00 0.00 0.00 57.72 58.33 3h30 n HIS 115 Cb 0.53 -2.26 -0.14 0.00 -0.00 0.00 0.00 29.99 28.11 3h30 n HIS 115 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3h30 s VAL 116 N -0.77 0.55 0.26 3.57 1.01 -1.26 -4.99 120.40 118.77 3h30 s VAL 116 Ca 0.63 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3h30 s VAL 116 Cb -0.74 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 3h30 s VAL 116 CO 0.57 0.13 1.36 0.21 0.00 0.00 0.00 175.10 177.38 3h30 s ASN 117 N -0.23 6.76 -1.31 3.32 2.47 -1.26 -4.92 114.94 119.77 3h30 s ASN 117 Ca 0.02 2.60 -0.06 0.00 0.42 0.00 0.00 52.86 55.85 3h30 s ASN 117 Cb -0.03 -2.63 0.13 0.00 -1.45 0.00 0.00 41.25 37.27 3h30 s ASN 117 CO -0.00 -0.60 2.31 -3.20 -3.72 0.00 0.00 177.10 171.90 3h30 n ASN 118 N 1.92 7.75 -3.93 -4.21 5.15 -1.26 -4.62 115.26 116.06 3h30 n ASN 118 Ca 0.04 -3.16 -0.30 0.00 -0.60 0.00 0.00 54.58 50.57 3h30 n ASN 118 Cb 0.41 -1.36 -0.16 0.00 -0.53 0.00 0.00 39.78 38.14 3h30 n ASN 118 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3h30 s THR 119 N -1.13 1.38 0.28 -0.44 2.01 -1.26 -5.10 115.64 111.38 3h30 s THR 119 Ca 0.52 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 3h30 s THR 119 Cb 0.18 -1.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.05 3h30 s THR 119 CO -0.09 0.06 0.63 1.51 -0.69 0.00 0.00 174.62 176.05 3h30 s ASP 120 N 1.50 6.64 0.54 3.53 1.47 -1.26 -1.30 116.67 127.78 3h30 s ASP 120 Ca -0.02 1.03 0.28 0.00 1.18 0.00 0.00 52.55 55.02 3h30 s ASP 120 Cb -0.17 -2.27 1.57 0.00 -0.34 0.00 0.00 42.92 41.71 3h30 s ASP 120 CO -0.07 -0.16 2.14 0.15 0.68 0.00 0.00 175.17 177.90 3h30 h PHE 121 N 2.23 0.00 0.00 2.11 3.57 -1.03 -1.00 116.94 122.82 3h30 h PHE 121 Ca -0.47 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 3h30 h PHE 121 Cb 1.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3h30 h PHE 121 CO 0.61 0.08 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.42 3h30 h LYS 122 N 0.00 0.00 0.00 1.11 3.64 -1.82 0.66 116.57 120.15 3h30 h LYS 122 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3h30 h LYS 122 Cb 0.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h30 h LYS 122 CO 0.01 0.13 -0.28 1.96 -2.27 0.00 0.00 179.45 179.00 3h30 h GLN 123 N 0.00 0.00 0.00 1.90 4.20 -1.54 -3.38 115.11 116.29 3h30 h GLN 123 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h30 h GLN 123 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3h30 h GLN 123 CO 0.02 0.28 -1.43 1.28 -0.67 0.00 0.00 178.83 178.31 3h30 n LEU 124 N -3.81 1.48 0.34 1.46 4.77 -0.81 -4.80 117.00 115.63 3h30 n LEU 124 Ca -0.01 -0.02 0.22 0.00 -0.03 0.00 0.00 56.01 56.17 3h30 n LEU 124 Cb 0.37 -0.06 1.20 0.00 -2.33 0.00 0.00 43.42 42.61 3h30 n LEU 124 CO 0.35 0.39 1.18 0.10 -1.33 0.00 0.00 177.39 178.08 3h30 h TYR 125 N 0.00 0.00 -0.20 -1.77 -0.00 -1.07 0.88 116.97 114.81 3h30 h TYR 125 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.56 3h30 h TYR 125 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 3h30 h TYR 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 3h30 n GLN 126 N -3.06 1.82 0.00 0.10 1.13 -1.26 -3.85 117.38 112.26 3h30 n GLN 126 Ca -0.03 -1.23 0.04 0.00 -1.94 0.00 0.00 57.00 53.84 3h30 n GLN 126 Cb 0.08 -1.40 0.02 0.00 0.11 0.00 0.00 30.24 29.05 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 0.46 0.00 -2.48 5.09 -2.24 0.30 -5.03 114.28 110.38 3h30 n THR 127 Ca 0.16 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 3h30 n THR 127 Cb 0.36 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.07 4.54 0.77 3.22 1.43 -1.22 -5.05 118.68 121.30 3h30 s LEU 128 Ca 0.08 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 3h30 s LEU 128 Cb 0.06 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.69 3h30 s LEU 128 CO 0.15 -0.15 1.09 0.42 0.23 0.00 0.00 176.35 178.08 3h30 s THR 129 N -1.18 3.40 0.18 5.49 -4.23 -1.26 -4.79 115.64 113.25 3h30 s THR 129 Ca 0.45 0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 61.26 3h30 s THR 129 Cb -0.32 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 70.67 3h30 s THR 129 CO 0.40 -0.59 1.66 -0.78 -0.54 0.00 0.00 174.62 174.77 3h30 h ASP 130 N -1.09 -0.40 -0.64 3.99 3.58 -1.92 -0.13 116.42 119.81 3h30 h ASP 130 Ca -0.44 0.14 0.09 0.00 0.42 0.00 0.00 57.03 57.24 3h30 h ASP 130 Cb 1.23 0.28 -0.07 0.00 1.72 0.00 0.00 39.33 42.50 3h30 h ASP 130 CO 0.53 -0.14 0.28 0.22 -2.88 0.00 0.00 179.24 177.25 3h30 h TYR 131 N 0.02 0.51 -0.04 0.28 3.20 -1.96 -1.55 116.97 117.43 3h30 h TYR 131 Ca 0.24 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.98 3h30 h TYR 131 Cb 0.36 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3h30 h TYR 131 CO -0.39 0.17 -0.68 -0.44 -1.64 0.00 0.00 178.16 175.18 3h30 h ASP 132 N 0.50 0.22 -0.34 -2.11 5.19 -1.62 0.50 116.42 118.76 3h30 h ASP 132 Ca 0.31 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3h30 h ASP 132 Cb 0.34 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3h30 h ASP 132 CO -0.27 0.83 0.18 0.40 -3.12 0.00 0.00 179.24 177.26 3h30 h ILE 133 N 0.13 1.15 -0.32 0.35 2.04 -0.61 -1.24 117.51 119.01 3h30 h ILE 133 Ca -0.01 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3h30 h ILE 133 Cb 1.21 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3h30 h ILE 133 CO 0.10 0.15 0.19 0.03 0.00 0.00 0.00 178.15 178.62 3h30 h ARG 134 N 0.41 0.44 0.11 2.37 3.08 -1.08 -1.35 114.38 118.35 3h30 h ARG 134 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3h30 h ARG 134 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3h30 h ARG 134 CO -0.02 0.34 -0.10 0.35 -1.07 0.00 0.00 179.97 179.48 3h30 h PHE 135 N 0.41 -0.25 -0.03 3.04 3.57 -0.75 -1.27 116.94 121.65 3h30 h PHE 135 Ca 0.11 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 3h30 h PHE 135 Cb 0.02 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3h30 h PHE 135 CO -0.04 -0.15 -0.75 1.88 -2.23 0.00 0.00 178.31 177.02 3h30 h TYR 136 N -0.22 0.33 -0.97 0.41 0.05 -1.22 -2.14 116.97 113.21 3h30 h TYR 136 Ca 0.00 -0.15 0.07 0.00 0.05 0.00 0.00 58.73 58.70 3h30 h TYR 136 Cb 0.21 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 3h30 h TYR 136 CO -0.11 0.90 0.62 0.52 -1.05 0.00 0.00 178.16 179.04 3h30 h MET 137 N 0.15 1.08 -0.47 4.88 2.86 -1.11 -0.82 114.93 121.49 3h30 h MET 137 Ca -0.03 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 3h30 h MET 137 Cb 1.32 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3h30 h MET 137 CO 0.12 0.71 -0.21 -0.92 1.06 0.00 0.00 176.91 177.67 3h30 h TYR 138 N 1.11 1.13 -0.55 -0.22 3.20 -0.86 -0.96 116.97 119.82 3h30 h TYR 138 Ca 0.43 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3h30 h TYR 138 Cb 0.21 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3h30 h TYR 138 CO -0.01 1.10 0.32 0.93 -1.64 0.00 0.00 178.16 178.86 3h30 h GLU 139 N 0.83 0.62 -0.78 1.82 4.39 -0.98 -1.47 114.58 119.02 3h30 h GLU 139 Ca 0.11 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3h30 h GLU 139 Cb 0.79 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3h30 h GLU 139 CO 0.07 0.41 0.51 0.82 -1.16 0.00 0.00 179.01 179.65 3h30 h ILE 140 N 0.64 1.20 -0.54 3.13 2.04 -0.95 -2.75 117.51 120.28 3h30 h ILE 140 Ca 0.22 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3h30 h ILE 140 Cb 0.04 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3h30 h ILE 140 CO -0.10 0.20 0.23 -0.07 0.00 0.00 0.00 178.15 178.40 3h30 h LEU 141 N 1.05 0.70 -0.76 1.44 3.38 -0.59 -0.81 115.31 119.73 3h30 h LEU 141 Ca 0.28 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3h30 h LEU 141 Cb -0.11 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3h30 h LEU 141 CO -0.06 0.62 0.50 0.11 0.09 0.00 0.00 178.44 179.70 3h30 h LYS 142 N 0.77 0.99 -0.37 1.13 1.57 -0.99 0.18 116.57 119.84 3h30 h LYS 142 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3h30 h LYS 142 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3h30 h LYS 142 CO -0.02 0.65 0.12 0.00 -0.57 0.00 0.00 179.45 179.63 3h30 h ALA 143 N 1.28 0.49 -0.27 3.86 0.00 -1.08 -1.70 119.26 121.84 3h30 h ALA 143 Ca 0.28 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3h30 h ALA 143 Cb -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3h30 h ALA 143 CO -0.07 0.13 -0.40 -0.07 0.00 0.00 0.00 179.25 178.84 3h30 h LEU 144 N 0.45 0.82 -0.54 0.00 3.38 -0.90 -0.29 115.31 118.22 3h30 h LEU 144 Ca 0.12 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3h30 h LEU 144 Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3h30 h LEU 144 CO -0.00 1.17 0.31 -0.78 0.09 0.00 0.00 178.44 179.23 3h30 h ASP 145 N 0.49 0.49 -0.03 -0.43 3.58 -0.66 -0.94 116.42 118.92 3h30 h ASP 145 Ca 0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3h30 h ASP 145 Cb 1.00 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 3h30 h ASP 145 CO 0.09 0.34 0.01 0.22 -2.88 0.00 0.00 179.24 177.02 3h30 h TYR 146 N 0.62 0.05 -0.71 0.28 3.20 -1.07 -0.62 116.97 118.71 3h30 h TYR 146 Ca 0.23 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3h30 h TYR 146 Cb 0.06 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3h30 h TYR 146 CO -0.07 0.24 0.27 0.00 -1.64 0.00 0.00 178.16 176.96 3h30 h HIS 148 N 1.02 1.23 0.00 0.00 3.86 -1.08 -1.21 115.15 118.98 3h30 h HIS 148 Ca 0.24 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3h30 h HIS 148 Cb 0.23 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 3h30 h HIS 148 CO 0.02 0.89 -0.14 0.66 0.86 0.00 0.00 177.93 180.22 3h30 h SER 149 N 1.22 0.00 -0.37 2.45 4.64 -0.68 -1.66 113.55 119.15 3h30 h SER 149 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3h30 h SER 149 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3h30 h SER 149 CO -0.04 0.14 0.00 0.23 -0.87 0.00 0.00 176.83 176.29 3h30 n MET 150 N -4.05 2.13 -0.57 4.77 2.81 -0.56 -4.92 117.12 116.74 3h30 n MET 150 Ca -0.02 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.42 3h30 n MET 150 Cb 0.22 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.95 0.68 3.15 3.03 0.00 -0.62 -4.91 105.19 107.47 3h30 n GLY 151 Ca 0.13 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 1.62 -0.17 -0.61 1.01 -0.61 -0.19 121.20 120.25 3h30 s ILE 152 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3h30 s ILE 152 Cb 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 3h30 s ILE 152 CO 0.00 0.46 0.19 -0.04 0.00 0.00 0.00 174.94 175.55 3h30 s MET 153 N 0.25 4.06 -0.00 2.79 -1.94 -0.21 -3.04 119.30 121.21 3h30 s MET 153 Ca -0.11 -0.09 -0.22 0.00 -1.71 0.00 0.00 55.69 53.57 3h30 s MET 153 Cb -0.15 -3.37 -0.20 0.00 2.01 0.00 0.00 34.83 33.12 3h30 s MET 153 CO 0.05 0.39 1.17 1.25 -0.01 0.00 0.00 175.02 177.87 3h30 h HIS 154 N 6.27 0.42 0.00 -0.03 2.76 -1.91 -2.01 115.15 120.65 3h30 h HIS 154 Ca -0.44 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 3h30 h HIS 154 Cb 1.17 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3h30 h HIS 154 CO 0.62 0.92 0.00 0.54 -1.30 0.00 0.00 177.93 178.71 3h30 n ARG 155 N -4.45 -0.58 -2.72 5.26 1.74 -1.26 -2.71 116.66 111.94 3h30 n ARG 155 Ca -0.08 0.15 -0.05 0.00 -0.77 0.00 0.00 57.85 57.09 3h30 n ARG 155 Cb 0.49 -3.74 0.07 0.00 -1.02 0.00 0.00 32.46 28.26 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 -0.29 0.38 -4.70 0.55 2.03 -1.26 -1.19 116.55 112.06 3h30 n ASP 156 Ca 0.00 -2.39 -0.42 0.00 0.52 0.00 0.00 54.79 52.50 3h30 n ASP 156 Cb 0.15 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.17 4.32 0.01 5.18 1.01 -1.26 -4.81 120.40 122.66 3h30 s VAL 157 Ca 0.23 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 3h30 s VAL 157 Cb 0.41 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.83 3h30 s VAL 157 CO -0.03 0.07 1.10 -1.59 0.00 0.00 0.00 175.10 174.65 3h30 s LYS 158 N 1.55 0.70 0.37 2.72 -2.85 -1.26 -4.77 119.74 116.20 3h30 s LYS 158 Ca 0.56 -0.35 0.06 0.00 -1.00 0.00 0.00 55.97 55.24 3h30 s LYS 158 Cb -0.25 0.27 0.72 0.00 -2.06 0.00 0.00 37.83 36.50 3h30 s LYS 158 CO 0.25 -0.32 1.94 -1.35 0.10 0.00 0.00 175.35 175.98 3h30 h PRO 159 N 2.00 0.49 0.00 1.78 0.11 -1.94 -1.69 132.00 132.74 3h30 h PRO 159 Ca -0.23 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3h30 h PRO 159 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h30 h PRO 159 CO 0.27 0.46 -0.03 0.45 -0.21 0.00 0.00 178.00 178.94 3h30 h HIS 160 N 0.48 0.00 -0.59 0.65 3.86 -1.95 -2.51 115.15 115.10 3h30 h HIS 160 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3h30 h HIS 160 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3h30 h HIS 160 CO 0.01 0.03 0.00 0.09 0.86 0.00 0.00 177.93 178.91 3h30 n ASN 161 N -3.31 4.94 -4.18 2.45 5.03 -0.64 -4.74 115.26 114.81 3h30 n ASN 161 Ca -0.02 -2.62 -0.30 0.00 0.87 0.00 0.00 54.58 52.52 3h30 n ASN 161 Cb 0.15 -0.61 -0.17 0.00 -1.02 0.00 0.00 39.78 38.13 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 -2.19 1.81 -0.11 2.41 1.01 -0.95 -0.71 120.40 121.68 3h30 s VAL 162 Ca 0.50 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3h30 s VAL 162 Cb 0.35 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3h30 s VAL 162 CO 0.20 0.51 -0.06 -0.04 0.00 0.00 0.00 175.10 175.70 3h30 s MET 163 N 0.25 3.15 -0.08 2.72 -1.94 -0.04 -0.94 119.30 122.43 3h30 s MET 163 Ca -0.13 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 3h30 s MET 163 Cb -0.16 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 33.98 3h30 s MET 163 CO 0.06 0.47 -0.12 0.42 -0.01 0.00 0.00 175.02 175.84 3h30 s ILE 164 N -0.29 1.19 -0.68 2.53 -1.09 -0.42 -0.46 121.20 121.98 3h30 s ILE 164 Ca 0.04 -0.49 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 3h30 s ILE 164 Cb -0.13 -1.10 0.13 0.00 -1.58 0.00 0.00 42.46 39.79 3h30 s ILE 164 CO 0.02 0.37 0.75 -0.62 -1.23 0.00 0.00 174.94 174.24 3h30 s ASP 165 N 0.81 6.37 0.23 3.58 -1.08 -0.43 -4.37 116.67 121.78 3h30 s ASP 165 Ca -0.12 -1.82 -0.08 0.00 -0.52 0.00 0.00 52.55 50.01 3h30 s ASP 165 Cb -0.15 -2.29 0.23 0.00 -1.46 0.00 0.00 42.92 39.25 3h30 s ASP 165 CO 0.02 -0.97 1.88 -0.74 0.52 0.00 0.00 175.17 175.89 3h30 h HIS 166 N 8.81 1.03 -0.26 -5.34 -0.00 -1.96 0.96 115.15 118.40 3h30 h HIS 166 Ca -0.15 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 3h30 h HIS 166 Cb 1.07 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 3h30 h HIS 166 CO 0.91 0.62 0.00 1.49 -0.00 0.00 0.00 177.93 180.95 3h30 h GLU 167 N 1.09 0.38 -0.26 5.26 4.81 -1.96 -2.91 114.58 120.98 3h30 h GLU 167 Ca 0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3h30 h GLU 167 Cb -0.05 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3h30 h GLU 167 CO -0.10 0.41 0.00 0.72 -0.73 0.00 0.00 179.01 179.31 3h30 n HIS 168 N -4.33 0.34 -3.68 0.92 8.25 -0.90 -4.81 115.22 111.00 3h30 n HIS 168 Ca 0.01 -0.27 -0.27 0.00 -0.26 0.00 0.00 57.72 56.93 3h30 n HIS 168 Cb 0.21 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.35 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 0.84 -6.41 -4.25 -0.41 5.12 0.28 -4.98 116.66 106.86 3h30 n ARG 169 Ca 0.12 0.72 -0.30 0.00 -1.93 0.00 0.00 57.85 56.46 3h30 n ARG 169 Cb 0.43 -5.67 -0.10 0.00 -1.16 0.00 0.00 32.46 25.96 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 -6.39 2.14 -0.00 5.56 1.02 -0.91 -4.99 119.74 116.17 3h30 s LYS 170 Ca 0.59 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3h30 s LYS 170 Cb -0.28 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3h30 s LYS 170 CO 0.73 0.51 -0.07 -1.17 -0.92 0.00 0.00 175.35 174.43 3h30 s LEU 171 N -2.15 2.02 -0.04 3.17 0.20 -1.26 -1.31 118.68 119.31 3h30 s LEU 171 Ca 0.21 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.91 3h30 s LEU 171 Cb -0.11 -0.37 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 3h30 s LEU 171 CO 0.13 0.08 -0.09 -0.13 -0.29 0.00 0.00 176.35 176.06 3h30 s ARG 172 N -0.21 1.11 -0.20 1.98 1.81 0.39 -4.49 118.95 119.35 3h30 s ARG 172 Ca 0.02 -0.27 -0.22 0.00 -1.72 0.00 0.00 55.73 53.54 3h30 s ARG 172 Cb -0.03 -1.01 -0.02 0.00 -0.45 0.00 0.00 34.95 33.44 3h30 s ARG 172 CO -0.00 0.03 0.69 -1.17 -0.68 0.00 0.00 175.30 174.17 3h30 s LEU 173 N 0.52 4.14 0.00 2.53 2.96 0.23 -0.86 118.68 128.21 3h30 s LEU 173 Ca -0.09 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 3h30 s LEU 173 Cb -0.12 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.58 3h30 s LEU 173 CO 0.01 -0.32 0.01 2.30 -1.32 0.00 0.00 176.35 177.03 3h30 n ILE 174 N 4.76 0.00 -3.22 6.68 -5.35 0.11 -2.63 119.36 119.71 3h30 n ILE 174 Ca 0.00 -1.96 -0.22 0.00 -0.27 0.00 0.00 62.75 60.31 3h30 n ILE 174 Cb 0.49 0.43 0.02 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.29 -6.67 -1.13 7.28 -0.08 -1.26 -4.85 116.55 108.55 3h30 n ASP 175 Ca -0.16 0.08 0.05 0.00 -1.51 0.00 0.00 54.79 53.25 3h30 n ASP 175 Cb 0.52 -3.52 0.22 0.00 2.34 0.00 0.00 41.12 40.68 3h30 n ASP 175 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 3h30 n TRP 176 N -0.54 0.99 0.31 -0.67 7.02 -1.26 -4.47 117.44 118.82 3h30 n TRP 176 Ca -0.01 -0.37 0.15 0.00 -1.02 0.00 0.00 57.50 56.25 3h30 n TRP 176 Cb 0.58 -0.23 0.67 0.00 -2.42 0.00 0.00 31.31 29.91 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 4.66 0.00 -1.57 6.99 0.00 -1.91 -1.52 103.07 109.73 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 0.19 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.77 3h30 n LEU 178 N -2.65 2.67 -4.78 3.11 4.77 -1.26 -4.95 117.00 113.91 3h30 n LEU 178 Ca 0.00 -1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 54.47 3h30 n LEU 178 Cb 0.21 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3h30 n LEU 178 CO 0.21 0.50 0.77 0.00 -1.33 0.00 0.00 177.39 177.55 3h30 s ALA 179 N -1.45 3.11 0.10 -1.18 0.00 -0.57 -4.66 121.76 117.11 3h30 s ALA 179 Ca 0.24 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 3h30 s ALA 179 Cb 0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3h30 s ALA 179 CO 0.23 -0.33 0.10 -2.00 0.00 0.00 0.00 175.76 173.76 3h30 s GLU 180 N -2.38 0.83 0.01 0.00 2.56 -0.75 -4.84 118.70 114.12 3h30 s GLU 180 Ca 0.57 -1.19 -0.29 0.00 0.00 0.00 0.00 54.97 54.06 3h30 s GLU 180 Cb -0.26 0.28 -0.03 0.00 2.00 0.00 0.00 34.13 36.12 3h30 s GLU 180 CO 0.32 -0.23 0.95 -0.06 -0.56 0.00 0.00 175.26 175.68 3h30 s PHE 181 N -3.94 3.68 -0.27 5.30 0.08 -1.26 -1.04 117.98 120.53 3h30 s PHE 181 Ca 0.12 1.68 -0.28 0.00 0.12 0.00 0.00 56.93 58.57 3h30 s PHE 181 Cb 0.06 -3.08 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3h30 s PHE 181 CO -0.06 0.03 0.99 -0.47 -0.10 0.00 0.00 175.22 175.60 3h30 s TYR 182 N 0.84 3.26 -0.11 0.36 5.04 0.73 -4.92 117.35 122.56 3h30 s TYR 182 Ca 0.50 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.41 3h30 s TYR 182 Cb -0.21 -3.35 0.01 0.00 0.35 0.00 0.00 41.96 38.76 3h30 s TYR 182 CO 0.27 -0.56 -0.17 -1.01 -1.34 0.00 0.00 175.55 172.74 3h30 s HIS 183 N 3.25 2.12 -0.04 4.97 3.76 -1.26 -4.64 115.29 123.45 3h30 s HIS 183 Ca 0.41 -0.97 -0.36 0.00 -0.15 0.00 0.00 55.06 53.99 3h30 s HIS 183 Cb -0.14 -1.49 -0.14 0.00 1.11 0.00 0.00 32.58 31.92 3h30 s HIS 183 CO 0.10 -0.47 1.69 -2.30 -0.85 0.00 0.00 174.74 172.91 3h30 n PRO 184 N 4.04 1.79 -0.17 8.40 -0.02 -1.26 -1.81 135.00 145.96 3h30 n PRO 184 Ca -0.20 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3h30 n PRO 184 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3h30 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h30 n GLY 185 N 3.82 0.96 3.77 -1.23 0.00 -1.26 -5.05 105.19 106.20 3h30 n GLY 185 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.61 4.61 -0.02 1.61 0.74 -0.75 -5.05 119.66 120.19 3h30 s GLN 186 Ca 0.00 1.22 -0.17 0.00 0.05 0.00 0.00 55.36 56.46 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 0.54 0.47 -1.21 -0.55 0.00 0.00 175.29 174.54 3h30 s GLU 187 N -1.24 4.13 0.20 1.67 0.41 -1.26 -4.42 118.70 118.19 3h30 s GLU 187 Ca 0.38 0.50 0.11 0.00 -0.41 0.00 0.00 54.97 55.54 3h30 s GLU 187 Cb -0.23 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 3h30 s GLU 187 CO 0.27 0.50 -0.20 0.71 -0.49 0.00 0.00 175.26 176.04 3h30 s TYR 188 N -0.50 2.37 0.30 1.61 2.02 0.99 -4.99 117.35 119.16 3h30 s TYR 188 Ca 0.26 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 3h30 s TYR 188 Cb -0.17 -1.15 -0.11 0.00 -0.40 0.00 0.00 41.96 40.13 3h30 s TYR 188 CO 0.14 0.53 1.54 1.21 -1.57 0.00 0.00 175.55 177.39 3h30 s ASN 189 N -2.83 6.44 0.00 2.29 3.84 -1.26 -4.61 114.94 118.81 3h30 s ASN 189 Ca 0.23 2.90 0.23 0.00 0.21 0.00 0.00 52.86 56.43 3h30 s ASN 189 Cb -0.08 -2.64 0.59 0.00 -0.55 0.00 0.00 41.25 38.58 3h30 s ASN 189 CO 0.12 -0.85 1.48 1.33 -2.79 0.00 0.00 177.10 176.39 3h30 n VAL 190 N 1.90 0.22 -2.08 -5.21 0.24 -1.26 -4.41 118.33 107.72 3h30 n VAL 190 Ca 0.06 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 3h30 n VAL 190 Cb 0.38 0.80 -0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 0.85 4.35 -4.27 7.34 1.74 -1.26 -4.82 116.66 120.59 3h30 n ARG 191 Ca 0.17 -3.48 -0.15 0.00 -0.77 0.00 0.00 57.85 53.63 3h30 n ARG 191 Cb 0.47 -2.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.11 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 -0.76 1.10 0.25 1.55 -7.23 -1.26 -5.10 120.40 108.94 3h30 s VAL 192 Ca 0.50 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3h30 s VAL 192 Cb 0.16 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3h30 s VAL 192 CO -0.07 -0.64 0.00 0.00 -0.31 0.00 0.00 175.10 174.08 3h30 n ALA 193 N -0.25 -1.47 -2.04 1.32 0.00 -0.34 -4.87 120.51 112.87 3h30 n ALA 193 Ca -0.09 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3h30 n ALA 193 Cb 0.61 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -5.20 6.56 0.23 0.00 0.01 -1.26 -4.91 113.70 109.14 3h30 s SER 194 Ca 0.00 1.32 -0.10 0.00 1.31 0.00 0.00 55.95 58.48 3h30 s SER 194 Cb 0.00 -2.40 0.36 0.00 0.21 0.00 0.00 66.02 64.19 3h30 s SER 194 CO 0.00 -0.48 1.62 -0.09 0.41 0.00 0.00 173.24 174.70 3h30 h ARG 195 N 1.11 0.04 0.00 12.44 2.43 -1.98 0.19 114.38 128.62 3h30 h ARG 195 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3h30 h ARG 195 Cb 1.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3h30 h ARG 195 CO 0.63 0.03 0.00 1.88 -1.51 0.00 0.00 179.97 181.00 3h30 h TYR 196 N 0.04 0.00 -0.13 2.20 0.05 -1.93 -2.35 116.97 114.86 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 -0.50 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 177.80 3h30 n PHE 197 N -2.54 0.32 -2.71 4.88 3.72 0.04 -4.70 117.46 116.47 3h30 n PHE 197 Ca 0.00 -0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 56.21 3h30 n PHE 197 Cb 0.19 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 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 -2.12 4.50 0.71 -1.08 1.02 -0.89 -4.26 119.74 117.62 3h30 s LYS 198 Ca 0.26 1.39 -0.13 0.00 0.02 0.00 0.00 55.97 57.51 3h30 s LYS 198 Cb 0.20 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3h30 s LYS 198 CO 0.06 -0.16 1.10 0.20 -0.92 0.00 0.00 175.35 175.63 3h30 s GLY 199 N 1.04 1.96 0.27 -3.33 0.00 -1.26 -4.91 107.32 101.10 3h30 s GLY 199 Ca 0.50 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.67 3h30 s GLY 199 CO 0.23 0.79 1.71 -2.55 0.00 0.00 0.00 173.10 173.28 3h30 h PRO 200 N -0.44 0.41 -0.90 2.90 0.11 -1.93 -1.70 132.00 130.46 3h30 h PRO 200 Ca -0.45 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.85 3h30 h PRO 200 Cb 1.24 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 3h30 h PRO 200 CO 0.53 0.27 0.40 1.05 -0.21 0.00 0.00 178.00 180.04 3h30 h GLU 201 N 0.43 0.39 -0.13 1.05 9.09 -1.90 -0.29 114.58 123.22 3h30 h GLU 201 Ca 0.51 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.83 3h30 h GLU 201 Cb 0.89 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3h30 h GLU 201 CO -0.48 0.26 -0.16 -0.07 0.05 0.00 0.00 179.01 178.60 3h30 h LEU 202 N 0.40 0.37 -2.05 3.06 3.38 -1.56 0.15 115.31 119.07 3h30 h LEU 202 Ca 0.56 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h30 h LEU 202 Cb 1.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3h30 h LEU 202 CO -0.53 0.80 -0.04 -0.07 0.09 0.00 0.00 178.44 178.69 3h30 h LEU 203 N -0.06 0.00 -3.03 1.67 3.38 -1.01 -2.10 115.31 114.17 3h30 h LEU 203 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h30 h LEU 203 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h30 h LEU 203 CO 0.04 0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.94 3h30 n VAL 204 N -4.28 1.52 -3.43 1.22 0.24 -0.24 -4.95 118.33 108.40 3h30 n VAL 204 Ca -0.03 -1.24 -0.18 0.00 -2.04 0.00 0.00 64.34 60.85 3h30 n VAL 204 Cb 0.12 0.23 0.09 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.64 -3.01 -4.52 -1.34 8.00 -0.79 -4.84 116.55 110.69 3h30 n ASP 205 Ca 0.20 -0.59 -0.41 0.00 0.71 0.00 0.00 54.79 54.70 3h30 n ASP 205 Cb 0.69 -4.99 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 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 -3.34 3.23 -0.63 1.24 5.04 0.50 -4.97 117.35 118.42 3h30 s TYR 206 Ca 0.13 -0.24 0.24 0.00 -2.44 0.00 0.00 57.07 54.75 3h30 s TYR 206 Cb -0.06 -2.54 0.22 0.00 0.35 0.00 0.00 41.96 39.94 3h30 s TYR 206 CO 0.71 -0.41 1.20 1.04 -1.34 0.00 0.00 175.55 176.75 3h30 n GLN 207 N 5.17 0.29 -1.90 4.97 6.02 -1.26 -4.29 117.38 126.38 3h30 n GLN 207 Ca -0.12 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 3h30 n GLN 207 Cb 0.49 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 3h30 n GLN 207 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3h30 n MET 208 N -2.05 3.41 -2.45 -1.09 1.56 -1.26 -0.00 117.12 115.24 3h30 n MET 208 Ca 0.03 -3.28 -0.20 0.00 -0.27 0.00 0.00 57.70 53.97 3h30 n MET 208 Cb 0.44 -2.32 0.10 0.00 2.15 0.00 0.00 33.22 33.59 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 0.46 -2.88 -2.81 1.12 0.18 -1.26 -4.56 117.16 107.41 3h30 n TYR 209 Ca 0.53 -1.65 0.00 0.00 1.88 0.00 0.00 57.90 58.66 3h30 n TYR 209 Cb 0.35 -0.64 0.00 0.00 -0.38 0.00 0.00 39.34 38.68 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 -2.83 0.00 -0.31 9.48 5.68 -1.26 -4.96 116.55 122.34 3h30 n ASP 210 Ca 0.15 -0.48 0.34 0.00 -0.50 0.00 0.00 54.79 54.30 3h30 n ASP 210 Cb 0.54 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.25 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 0.48 0.06 0.00 2.11 0.05 -1.94 -1.85 116.97 115.87 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 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 3h30 h TYR 211 CO 0.00 0.00 -0.01 0.66 -1.05 0.00 0.00 178.16 177.77 3h30 h SER 212 N 0.03 0.00 -0.47 3.88 4.64 -1.95 -1.61 113.55 118.07 3h30 h SER 212 Ca 0.56 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.97 3h30 h SER 212 Cb 2.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 64.16 3h30 h SER 212 CO -0.03 0.01 -0.16 0.25 -0.87 0.00 0.00 176.83 176.02 3h30 h LEU 213 N 0.00 -0.57 -1.80 5.97 5.85 -1.69 -1.77 115.31 121.30 3h30 h LEU 213 Ca -0.00 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3h30 h LEU 213 Cb 0.10 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3h30 h LEU 213 CO 0.00 -0.20 0.33 0.44 -0.34 0.00 0.00 178.44 178.68 3h30 h ASP 214 N -0.05 0.20 0.39 1.25 3.32 -1.51 -1.73 116.42 118.28 3h30 h ASP 214 Ca 0.23 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 3h30 h ASP 214 Cb 0.40 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3h30 h ASP 214 CO -0.51 0.12 -0.63 0.24 -1.72 0.00 0.00 179.24 176.74 3h30 h MET 215 N 0.22 0.23 -0.00 3.56 2.86 -1.41 -1.39 114.93 119.00 3h30 h MET 215 Ca 0.23 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3h30 h MET 215 Cb 0.60 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3h30 h MET 215 CO -0.04 0.78 0.00 2.35 1.06 0.00 0.00 176.91 181.06 3h30 h TRP 216 N 0.17 0.00 -0.60 -0.22 2.91 -1.00 -2.09 115.95 115.12 3h30 h TRP 216 Ca -0.01 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.06 3h30 h TRP 216 Cb 1.14 -0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.74 3h30 h TRP 216 CO 0.02 0.13 0.34 0.77 -1.03 0.00 0.00 178.44 178.67 3h30 h SER 217 N -0.13 0.51 -0.54 2.65 0.02 -1.36 -0.24 113.55 114.46 3h30 h SER 217 Ca 0.00 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3h30 h SER 217 Cb 0.13 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 3h30 h SER 217 CO -0.00 0.34 0.16 0.25 -1.14 0.00 0.00 176.83 176.44 3h30 h LEU 218 N 0.64 0.11 -0.73 5.07 5.85 -1.25 -1.80 115.31 123.19 3h30 h LEU 218 Ca 0.26 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.18 3h30 h LEU 218 Cb 0.13 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3h30 h LEU 218 CO -0.16 0.08 0.33 1.23 -0.34 0.00 0.00 178.44 179.59 3h30 h GLY 219 N 0.32 1.11 1.15 3.75 0.00 -0.36 0.58 103.07 109.61 3h30 h GLY 219 Ca 0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3h30 h GLY 219 CO -0.31 -0.01 0.27 0.00 0.00 0.00 0.00 176.54 176.49 3h30 h MET 221 N 1.05 0.38 -0.17 0.00 2.07 -0.49 -1.48 114.93 116.28 3h30 h MET 221 Ca 0.24 -0.10 0.04 0.00 -2.07 0.00 0.00 59.70 57.82 3h30 h MET 221 Cb 0.23 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.87 3h30 h MET 221 CO -0.02 0.50 -0.10 1.25 1.07 0.00 0.00 176.91 179.62 3h30 h LEU 222 N 0.19 -0.32 -0.44 1.22 5.85 -0.63 -0.97 115.31 120.22 3h30 h LEU 222 Ca 0.07 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3h30 h LEU 222 Cb 0.30 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3h30 h LEU 222 CO 0.00 -0.13 0.18 0.00 -0.34 0.00 0.00 178.44 178.15 3h30 h ALA 223 N 1.06 0.53 -0.73 1.25 0.00 -0.82 0.37 119.26 120.92 3h30 h ALA 223 Ca 0.10 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h30 h ALA 223 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3h30 h ALA 223 CO -0.23 -0.20 0.47 1.03 0.00 0.00 0.00 179.25 180.32 3h30 h SER 224 N 0.36 0.79 -0.10 0.00 0.87 -0.87 -1.81 113.55 112.80 3h30 h SER 224 Ca 0.20 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3h30 h SER 224 Cb 0.16 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3h30 h SER 224 CO -0.18 0.55 -0.05 0.24 -0.53 0.00 0.00 176.83 176.87 3h30 h MET 225 N 0.93 0.20 0.00 2.24 2.07 -0.57 0.01 114.93 119.82 3h30 h MET 225 Ca 0.28 -0.09 -0.10 0.00 -2.07 0.00 0.00 59.70 57.72 3h30 h MET 225 Cb -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.67 3h30 h MET 225 CO -0.09 0.56 -0.47 -0.84 1.07 0.00 0.00 176.91 177.14 3h30 h ILE 226 N -0.16 1.03 -0.01 -1.22 3.07 -0.88 -3.20 117.51 116.15 3h30 h ILE 226 Ca 0.02 -1.82 0.00 0.00 1.55 0.00 0.00 64.86 64.61 3h30 h ILE 226 Cb 0.50 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 3h30 h ILE 226 CO 0.01 0.46 -0.53 0.49 -1.05 0.00 0.00 178.15 177.53 3h30 n PHE 227 N -3.54 0.00 -3.67 0.16 3.72 -0.69 -4.51 117.46 108.94 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 -0.35 -3.74 -3.76 -1.08 5.12 -0.07 -4.82 116.66 107.97 3h30 n ARG 228 Ca 0.07 0.59 -0.28 0.00 -1.93 0.00 0.00 57.85 56.30 3h30 n ARG 228 Cb 0.40 -4.97 -0.16 0.00 -1.16 0.00 0.00 32.46 26.56 3h30 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h30 s LYS 229 N -5.86 0.78 -0.29 5.56 2.20 -0.83 -5.06 119.74 116.25 3h30 s LYS 229 Ca 0.15 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 3h30 s LYS 229 Cb -0.04 -2.14 0.08 0.00 -1.51 0.00 0.00 37.83 34.22 3h30 s LYS 229 CO 0.82 -0.69 -0.01 -2.00 -0.36 0.00 0.00 175.35 173.11 3h30 s GLU 230 N 1.77 1.59 0.74 4.03 2.12 -1.26 -2.40 118.70 125.29 3h30 s GLU 230 Ca 0.00 -1.43 -0.10 0.00 0.36 0.00 0.00 54.97 53.79 3h30 s GLU 230 Cb -0.17 -2.82 0.05 0.00 0.26 0.00 0.00 34.13 31.44 3h30 s GLU 230 CO -0.11 -0.77 1.10 -1.25 -0.54 0.00 0.00 175.26 173.69 3h30 s PRO 231 N 1.16 2.36 0.01 4.30 0.04 -1.26 -5.09 135.00 136.51 3h30 s PRO 231 Ca 0.02 0.15 -0.22 0.00 0.04 0.00 0.00 61.00 60.99 3h30 s PRO 231 Cb -0.19 -2.04 -0.18 0.00 0.04 0.00 0.00 34.50 32.14 3h30 s PRO 231 CO -0.09 -1.29 1.24 0.35 0.04 0.00 0.00 177.00 177.25 3h30 h PHE 232 N -0.78 0.36 -3.39 0.56 3.57 -1.73 -3.39 116.94 112.13 3h30 h PHE 232 Ca -0.45 -0.13 -0.72 0.00 3.53 0.00 0.00 57.97 60.20 3h30 h PHE 232 Cb 1.30 -0.06 -0.29 0.00 2.79 0.00 0.00 35.95 39.68 3h30 h PHE 232 CO 0.39 0.79 -0.44 -0.06 -2.23 0.00 0.00 178.31 176.76 3h30 s PHE 233 N -3.94 3.39 -1.07 0.41 0.08 -1.26 -5.02 117.98 110.56 3h30 s PHE 233 Ca -0.15 -1.73 -0.04 0.00 0.12 0.00 0.00 56.93 55.14 3h30 s PHE 233 Cb 0.04 -3.19 0.31 0.00 -0.57 0.00 0.00 43.02 39.61 3h30 s PHE 233 CO 0.75 -0.92 1.51 1.58 -0.10 0.00 0.00 175.22 178.04 3h30 n HIS 234 N 4.89 2.28 -2.42 0.36 -0.00 -1.26 -4.64 115.22 114.43 3h30 n HIS 234 Ca -0.09 -2.58 -0.39 0.00 0.46 0.00 0.00 57.72 55.13 3h30 n HIS 234 Cb 0.42 -1.24 -0.03 0.00 -0.12 0.00 0.00 29.99 29.02 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 -1.79 2.93 0.01 1.57 0.00 -1.26 -4.93 107.32 103.85 3h30 s GLY 235 Ca 0.32 0.89 0.22 0.00 0.00 0.00 0.00 44.72 46.16 3h30 s GLY 235 CO 0.09 1.43 1.03 1.42 0.00 0.00 0.00 173.10 177.07 3h30 n HIS 236 N 0.53 0.06 -3.95 1.90 8.25 -1.26 -4.77 115.22 115.98 3h30 n HIS 236 Ca 0.02 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 3h30 n HIS 236 Cb 0.46 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -3.31 0.36 0.28 0.41 1.47 -1.26 -5.01 116.67 109.61 3h30 s ASP 237 Ca 0.07 -1.23 -0.03 0.00 1.18 0.00 0.00 52.55 52.54 3h30 s ASP 237 Cb 0.16 0.74 0.39 0.00 -0.34 0.00 0.00 42.92 43.86 3h30 s ASP 237 CO 0.82 -1.45 1.94 0.78 0.68 0.00 0.00 175.17 177.94 3h30 h ASN 238 N 2.07 0.99 -0.36 2.11 -0.26 -1.99 -0.70 115.58 117.44 3h30 h ASN 238 Ca -0.29 -0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.33 3h30 h ASN 238 Cb 1.25 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.25 3h30 h ASN 238 CO 0.38 0.74 -0.06 1.88 -1.06 0.00 0.00 177.43 179.31 3h30 h TYR 239 N 1.15 0.76 -0.02 1.19 0.05 -1.97 -2.92 116.97 115.21 3h30 h TYR 239 Ca 0.30 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3h30 h TYR 239 Cb -0.08 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3h30 h TYR 239 CO 0.00 0.82 -0.21 0.22 -1.05 0.00 0.00 178.16 177.94 3h30 h ASP 240 N 0.48 0.02 -0.47 3.88 3.58 -1.81 -1.36 116.42 120.75 3h30 h ASP 240 Ca 0.10 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.60 3h30 h ASP 240 Cb 0.56 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 3h30 h ASP 240 CO 0.03 0.24 0.19 -0.61 -2.88 0.00 0.00 179.24 176.20 3h30 h GLN 241 N 0.02 0.36 -0.38 0.28 5.75 -0.95 0.18 115.11 120.38 3h30 h GLN 241 Ca 0.00 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 3h30 h GLN 241 Cb 0.39 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3h30 h GLN 241 CO 0.03 0.24 -0.33 1.25 -2.65 0.00 0.00 178.83 177.37 3h30 h LEU 242 N 0.38 0.90 -0.55 -2.39 5.85 -1.29 -0.93 115.31 117.27 3h30 h LEU 242 Ca 0.22 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3h30 h LEU 242 Cb 0.19 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3h30 h LEU 242 CO -0.20 1.15 0.24 0.58 -0.34 0.00 0.00 178.44 179.87 3h30 h VAL 243 N 0.72 0.88 -0.51 1.05 2.07 -0.80 0.47 116.25 120.12 3h30 h VAL 243 Ca 0.07 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 3h30 h VAL 243 Cb 0.89 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3h30 h VAL 243 CO 0.08 0.08 -0.11 0.03 0.02 0.00 0.00 177.57 177.68 3h30 h ARG 244 N 0.46 0.98 -0.09 1.57 2.47 -0.40 -1.01 114.38 118.36 3h30 h ARG 244 Ca 0.26 -0.37 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3h30 h ARG 244 Cb 0.24 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3h30 h ARG 244 CO -0.22 1.04 0.05 0.82 0.56 0.00 0.00 179.97 182.22 3h30 h ILE 245 N 0.84 1.07 0.00 2.04 2.04 -0.67 -2.92 117.51 119.91 3h30 h ILE 245 Ca 0.13 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3h30 h ILE 245 Cb 0.67 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3h30 h ILE 245 CO 0.05 0.06 -0.13 0.00 0.00 0.00 0.00 178.15 178.13 3h30 h ALA 246 N 0.97 1.59 0.00 1.87 0.00 0.26 0.95 119.26 124.90 3h30 h ALA 246 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h30 h ALA 246 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h30 h ALA 246 CO -0.01 0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.28 3h30 h LYS 247 N 0.00 0.00 0.00 0.00 1.57 -0.99 0.21 116.57 117.36 3h30 h LYS 247 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h30 h LYS 247 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3h30 h LYS 247 CO 0.02 0.00 -0.99 0.28 -0.57 0.00 0.00 179.45 178.19 3h30 n VAL 248 N -2.74 1.49 0.64 0.50 0.31 0.10 -4.56 118.33 114.06 3h30 n VAL 248 Ca 0.01 0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.59 3h30 n VAL 248 Cb 0.24 -2.33 0.39 0.00 -0.91 0.00 0.00 33.84 31.23 3h30 n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h30 n LEU 249 N -4.48 0.77 0.00 7.52 4.32 0.09 -0.60 117.00 124.63 3h30 n LEU 249 Ca -0.15 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 3h30 n LEU 249 Cb 0.49 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3h30 n LEU 249 CO 0.18 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 3h30 n GLY 250 N 1.32 -0.89 0.12 -0.72 0.00 0.75 -4.51 105.19 101.26 3h30 n GLY 250 Ca 0.05 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 0.81 -0.33 2.61 1.35 -1.45 -3.33 112.91 112.56 3h30 h THR 251 Ca 0.00 -2.24 0.07 0.00 -0.55 0.00 0.00 66.41 63.69 3h30 h THR 251 Cb 0.00 2.32 -0.06 0.00 -1.73 0.00 0.00 68.15 68.68 3h30 h THR 251 CO 0.00 0.46 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.56 3h30 h GLU 252 N 0.00 -0.01 0.00 4.72 4.81 -1.88 0.41 114.58 122.63 3h30 h GLU 252 Ca -0.06 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3h30 h GLU 252 Cb 1.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 3h30 h GLU 252 CO 0.06 -0.00 -0.31 -0.44 -0.73 0.00 0.00 179.01 177.59 3h30 h ASP 253 N -0.01 0.00 -0.08 1.04 3.32 -1.84 -2.45 116.42 116.41 3h30 h ASP 253 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3h30 h ASP 253 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3h30 h ASP 253 CO -0.35 0.31 -0.01 0.25 -1.72 0.00 0.00 179.24 177.72 3h30 h LEU 254 N 0.00 0.15 -0.75 1.55 5.85 -1.38 -2.30 115.31 118.43 3h30 h LEU 254 Ca -0.00 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 3h30 h LEU 254 Cb 0.87 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3h30 h LEU 254 CO 0.04 0.47 -0.22 1.88 -0.34 0.00 0.00 178.44 180.27 3h30 h TYR 255 N -0.18 0.81 -0.34 1.25 0.99 -0.94 -0.70 116.97 117.86 3h30 h TYR 255 Ca 0.02 -0.18 0.07 0.00 2.00 0.00 0.00 58.73 60.64 3h30 h TYR 255 Cb 0.40 -0.20 -0.07 0.00 1.00 0.00 0.00 36.73 37.87 3h30 h TYR 255 CO 0.05 0.87 -0.13 -0.44 -0.00 0.00 0.00 178.16 178.52 3h30 h ASP 256 N 0.63 -0.44 -0.18 3.88 5.19 -1.49 -1.12 116.42 122.90 3h30 h ASP 256 Ca 0.09 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3h30 h ASP 256 Cb 0.71 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3h30 h ASP 256 CO 0.05 -0.16 0.12 0.22 -3.12 0.00 0.00 179.24 176.35 3h30 h TYR 257 N -0.06 0.23 -0.54 4.55 3.20 -0.89 0.33 116.97 123.79 3h30 h TYR 257 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3h30 h TYR 257 Cb 0.32 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3h30 h TYR 257 CO -0.35 0.14 0.36 0.82 -1.64 0.00 0.00 178.16 177.49 3h30 h ILE 258 N 0.24 1.11 0.01 1.81 2.04 -1.03 -2.64 117.51 119.06 3h30 h ILE 258 Ca 0.07 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3h30 h ILE 258 Cb -0.03 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3h30 h ILE 258 CO -0.02 0.13 -0.46 0.44 0.00 0.00 0.00 178.15 178.24 3h30 h ASP 259 N 0.69 0.39 -0.86 1.72 5.19 -0.67 0.23 116.42 123.11 3h30 h ASP 259 Ca 0.20 -0.79 0.19 0.00 -0.62 0.00 0.00 57.03 56.01 3h30 h ASP 259 Cb -0.03 -0.12 -0.11 0.00 0.18 0.00 0.00 39.33 39.25 3h30 h ASP 259 CO -0.05 1.13 0.40 0.50 -3.12 0.00 0.00 179.24 178.10 3h30 h LYS 260 N -0.31 0.47 -0.62 3.56 3.64 -0.08 -1.40 116.57 121.83 3h30 h LYS 260 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3h30 h LYS 260 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3h30 h LYS 260 CO 0.09 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 3h30 n TYR 261 N -4.98 1.10 -4.15 1.91 4.02 -1.02 -4.82 117.16 109.22 3h30 n TYR 261 Ca 0.19 -0.56 -0.32 0.00 -0.01 0.00 0.00 57.90 57.21 3h30 n TYR 261 Cb 0.55 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.16 -1.36 -4.74 7.72 4.13 -0.53 -1.13 115.26 120.51 3h30 n ASN 262 Ca 0.23 -1.07 -0.40 0.00 1.68 0.00 0.00 54.58 55.02 3h30 n ASN 262 Cb 0.71 -2.62 -0.06 0.00 -1.54 0.00 0.00 39.78 36.28 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 -3.73 4.17 -0.27 2.41 1.01 0.74 -4.02 121.20 121.53 3h30 s ILE 263 Ca 0.34 2.08 -0.07 0.00 0.00 0.00 0.00 60.65 63.00 3h30 s ILE 263 Cb -0.19 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 3h30 s ILE 263 CO 0.93 0.45 0.06 -1.83 0.00 0.00 0.00 174.94 174.55 3h30 s GLU 264 N -0.87 3.34 0.02 2.79 -1.05 -1.26 -4.72 118.70 116.94 3h30 s GLU 264 Ca 0.43 -0.68 -0.03 0.00 -0.15 0.00 0.00 54.97 54.53 3h30 s GLU 264 Cb -0.25 -3.30 -0.04 0.00 -0.44 0.00 0.00 34.13 30.10 3h30 s GLU 264 CO 0.32 -0.31 0.21 -1.17 0.95 0.00 0.00 175.26 175.25 3h30 s LEU 265 N 1.54 4.36 0.03 1.83 2.96 -1.26 -5.03 118.68 123.11 3h30 s LEU 265 Ca 0.04 0.37 -0.32 0.00 -0.22 0.00 0.00 54.13 54.01 3h30 s LEU 265 Cb -0.16 -2.73 -0.11 0.00 0.50 0.00 0.00 46.19 43.69 3h30 s LEU 265 CO 0.02 0.23 1.88 -0.67 -1.32 0.00 0.00 176.35 176.49 3h30 n ASP 266 N 0.79 3.84 0.27 3.68 -0.08 -1.26 -4.82 116.55 118.96 3h30 n ASP 266 Ca -0.09 0.96 0.17 0.00 -1.51 0.00 0.00 54.79 54.32 3h30 n ASP 266 Cb 0.52 -1.48 0.92 0.00 2.34 0.00 0.00 41.12 43.42 3h30 n ASP 266 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h30 h PRO 267 N 9.24 0.00 0.13 -0.67 0.13 -1.99 -0.73 132.00 138.11 3h30 h PRO 267 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 3h30 h PRO 267 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3h30 h PRO 267 CO 0.94 0.00 -1.26 0.00 -0.23 0.00 0.00 178.00 177.45 3h30 h ARG 268 N 0.00 0.27 -0.70 0.86 3.08 -2.00 -2.35 114.38 113.54 3h30 h ARG 268 Ca 0.04 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 3h30 h ARG 268 Cb 0.26 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3h30 h ARG 268 CO -0.00 1.21 0.18 0.35 -1.07 0.00 0.00 179.97 180.64 3h30 h PHE 269 N 0.07 1.17 -0.72 3.04 3.57 -1.56 -2.70 116.94 119.80 3h30 h PHE 269 Ca -0.14 -0.13 0.15 0.00 3.53 0.00 0.00 57.97 61.38 3h30 h PHE 269 Cb 1.97 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 40.28 3h30 h PHE 269 CO 0.06 0.94 0.19 -0.97 -2.23 0.00 0.00 178.31 176.31 3h30 h ASN 270 N 1.05 0.06 -0.64 0.41 -0.00 -1.12 -1.18 115.58 114.16 3h30 h ASN 270 Ca 0.22 0.14 -0.00 0.00 -0.00 0.00 0.00 56.30 56.66 3h30 h ASN 270 Cb 0.35 0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.81 3h30 h ASN 270 CO -0.00 -0.01 0.40 0.44 -0.00 0.00 0.00 177.43 178.26 3h30 h ASP 271 N 0.30 0.77 -0.20 1.15 3.32 -1.11 -2.51 116.42 118.14 3h30 h ASP 271 Ca 0.40 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 3h30 h ASP 271 Cb 0.67 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3h30 h ASP 271 CO -0.48 0.59 -0.26 0.40 -1.72 0.00 0.00 179.24 177.77 3h30 h ILE 272 N 0.89 1.33 -0.43 0.35 2.04 -1.02 -3.14 117.51 117.53 3h30 h ILE 272 Ca 0.24 -1.46 0.09 0.00 1.00 0.00 0.00 64.86 64.72 3h30 h ILE 272 Cb -0.04 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 3h30 h ILE 272 CO -0.05 0.45 -0.12 -0.07 0.00 0.00 0.00 178.15 178.36 3h30 h LEU 273 N 0.20 -0.45 0.00 1.44 3.38 -1.21 -3.46 115.31 115.21 3h30 h LEU 273 Ca 0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3h30 h LEU 273 Cb 0.83 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3h30 h LEU 273 CO 0.06 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.04 3h30 n GLY 274 N -1.34 3.68 3.03 0.83 0.00 -0.96 -4.59 105.19 105.84 3h30 n GLY 274 Ca 0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 2.03 -0.03 1.61 6.06 -1.26 -4.91 118.95 122.45 3h30 s ARG 275 Ca 0.00 -0.49 -0.00 0.00 -2.50 0.00 0.00 55.73 52.74 3h30 s ARG 275 Cb 0.00 -1.76 0.03 0.00 0.06 0.00 0.00 34.95 33.28 3h30 s ARG 275 CO 0.00 -0.08 0.03 -1.01 -2.50 0.00 0.00 175.30 171.74 3h30 s HIS 276 N 1.03 0.10 0.64 5.12 3.76 -1.26 -4.99 115.29 119.70 3h30 s HIS 276 Ca -0.06 0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 3h30 s HIS 276 Cb -0.15 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 3h30 s HIS 276 CO -0.02 -0.12 1.17 -1.54 -0.85 0.00 0.00 174.74 173.38 3h30 s SER 277 N 1.24 4.99 0.28 1.40 1.04 -1.26 -1.66 113.70 119.73 3h30 s SER 277 Ca -0.07 2.23 -0.29 0.00 0.48 0.00 0.00 55.95 58.30 3h30 s SER 277 Cb -0.13 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.32 3h30 s SER 277 CO -0.03 -1.72 1.16 -0.60 0.98 0.00 0.00 173.24 173.04 3h30 s ARG 278 N -3.70 4.55 0.15 4.02 3.52 -1.26 -4.00 118.95 122.24 3h30 s ARG 278 Ca 0.73 1.92 0.06 0.00 -0.13 0.00 0.00 55.73 58.31 3h30 s ARG 278 Cb -0.26 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3h30 s ARG 278 CO 0.38 0.08 0.03 0.21 -0.81 0.00 0.00 175.30 175.18 3h30 s LYS 279 N -1.40 2.53 0.29 5.12 2.20 0.23 -4.95 119.74 123.77 3h30 s LYS 279 Ca 0.47 -1.00 -0.17 0.00 -0.36 0.00 0.00 55.97 54.91 3h30 s LYS 279 Cb -0.34 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.44 3h30 s LYS 279 CO 0.44 0.48 0.73 1.03 -0.36 0.00 0.00 175.35 177.67 3h30 s ARG 280 N -2.85 4.09 0.49 4.03 0.52 -1.26 -4.90 118.95 119.07 3h30 s ARG 280 Ca 0.28 0.74 0.27 0.00 -0.52 0.00 0.00 55.73 56.50 3h30 s ARG 280 Cb -0.10 -2.59 1.19 0.00 0.52 0.00 0.00 34.95 33.97 3h30 s ARG 280 CO 0.19 0.24 1.94 -1.49 0.02 0.00 0.00 175.30 176.20 3h30 h TRP 281 N 2.66 0.00 -0.43 -0.53 4.06 -1.99 -2.93 115.95 116.79 3h30 h TRP 281 Ca -0.48 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.60 3h30 h TRP 281 Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 3h30 h TRP 281 CO 0.62 0.16 0.37 0.93 -3.56 0.00 0.00 178.44 176.97 3h30 h GLU 282 N 0.00 0.00 0.00 0.49 3.07 -1.94 -1.62 114.58 114.58 3h30 h GLU 282 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3h30 h GLU 282 Cb 0.57 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3h30 h GLU 282 CO 0.02 0.00 -0.05 -0.09 -1.40 0.00 0.00 179.01 177.49 3h30 h ARG 283 N 0.00 0.00 -0.01 2.33 9.65 -1.94 -2.08 114.38 122.33 3h30 h ARG 283 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3h30 h ARG 283 Cb 0.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 3h30 h ARG 283 CO -0.00 0.05 -0.57 1.19 2.80 0.00 0.00 179.97 183.43 3h30 n PHE 284 N -3.15 0.00 -2.58 2.20 3.01 -0.62 -4.89 117.46 111.43 3h30 n PHE 284 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 3h30 n PHE 284 Cb 0.35 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 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 -2.75 3.99 0.26 -4.37 1.01 -0.78 -4.89 120.40 112.86 3h30 s VAL 285 Ca 0.15 1.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.80 3h30 s VAL 285 Cb 0.18 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3h30 s VAL 285 CO 0.67 0.31 0.40 -1.00 0.00 0.00 0.00 175.10 175.48 3h30 s HIS 286 N -0.35 0.71 0.28 5.22 3.76 -1.26 -5.00 115.29 118.65 3h30 s HIS 286 Ca 0.48 -1.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3h30 s HIS 286 Cb -0.28 -0.05 0.59 0.00 1.11 0.00 0.00 32.58 33.96 3h30 s HIS 286 CO 0.34 -0.95 1.77 0.66 -0.85 0.00 0.00 174.74 175.71 3h30 h SER 287 N 2.30 0.63 0.66 1.40 4.64 -2.01 -0.55 113.55 120.63 3h30 h SER 287 Ca -0.29 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 3h30 h SER 287 Cb 1.25 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3h30 h SER 287 CO 0.40 0.26 -0.66 1.05 -0.87 0.00 0.00 176.83 177.01 3h30 h GLU 288 N 0.69 0.00 -0.01 4.77 9.09 -1.98 -3.34 114.58 123.81 3h30 h GLU 288 Ca 0.50 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3h30 h GLU 288 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3h30 h GLU 288 CO -0.36 0.66 -0.32 0.27 0.05 0.00 0.00 179.01 179.30 3h30 n ASN 289 N -3.76 1.38 -0.23 3.06 0.23 -0.83 -4.66 115.26 110.46 3h30 n ASN 289 Ca -0.01 -1.19 0.20 0.00 -0.53 0.00 0.00 54.58 53.05 3h30 n ASN 289 Cb 0.65 0.53 0.54 0.00 -2.08 0.00 0.00 39.78 39.41 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 1.37 0.35 0.00 -3.83 4.20 -1.25 -0.73 115.11 115.22 3h30 h GLN 290 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h30 h GLN 290 Cb 0.45 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3h30 h GLN 290 CO 0.00 0.23 0.00 1.12 -0.67 0.00 0.00 178.83 179.51 3h30 h HIS 291 N 0.36 0.00 -0.02 2.96 2.07 -1.86 -2.96 115.15 115.71 3h30 h HIS 291 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3h30 h HIS 291 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3h30 h HIS 291 CO -0.00 0.00 -0.25 1.28 -3.07 0.00 0.00 177.93 175.88 3h30 n LEU 292 N -2.87 1.77 -4.43 6.12 4.77 -0.28 -4.76 117.00 117.32 3h30 n LEU 292 Ca 0.02 -0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 55.06 3h30 n LEU 292 Cb 0.36 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 3h30 n LEU 292 CO 0.28 0.32 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.62 3h30 s VAL 293 N -2.33 3.82 0.19 4.08 1.01 -1.12 -4.82 120.40 121.23 3h30 s VAL 293 Ca 0.25 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3h30 s VAL 293 Cb 0.19 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3h30 s VAL 293 CO 0.47 0.44 -0.02 -0.94 0.00 0.00 0.00 175.10 175.05 3h30 s SER 294 N 0.98 1.53 0.21 3.32 1.04 -1.26 -4.99 113.70 114.53 3h30 s SER 294 Ca 0.01 -1.16 -0.10 0.00 0.48 0.00 0.00 55.95 55.18 3h30 s SER 294 Cb -0.14 0.06 0.30 0.00 0.10 0.00 0.00 66.02 66.34 3h30 s SER 294 CO 0.01 -0.51 1.67 -0.65 0.98 0.00 0.00 173.24 174.75 3h30 h PRO 295 N 2.63 0.15 -0.10 4.02 0.11 -2.00 -2.14 132.00 134.67 3h30 h PRO 295 Ca -0.37 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 3h30 h PRO 295 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3h30 h PRO 295 CO 0.63 0.10 -0.56 1.05 -0.21 0.00 0.00 178.00 179.02 3h30 h GLU 296 N 0.16 0.31 -0.53 1.05 9.09 -1.96 -2.15 114.58 120.55 3h30 h GLU 296 Ca 0.32 -0.20 0.04 0.00 0.05 0.00 0.00 59.36 59.57 3h30 h GLU 296 Cb 0.52 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.60 3h30 h GLU 296 CO -0.49 0.79 0.29 0.00 0.05 0.00 0.00 179.01 179.65 3h30 h ALA 297 N 1.17 0.68 -0.16 1.06 0.00 -1.82 -0.68 119.26 119.51 3h30 h ALA 297 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3h30 h ALA 297 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3h30 h ALA 297 CO 0.09 -0.03 -0.55 -0.07 0.00 0.00 0.00 179.25 178.69 3h30 h LEU 298 N 0.57 0.54 -0.21 0.00 3.38 -1.13 0.16 115.31 118.62 3h30 h LEU 298 Ca 0.22 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3h30 h LEU 298 Cb 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h30 h LEU 298 CO -0.13 0.98 -0.29 -0.78 0.09 0.00 0.00 178.44 178.31 3h30 h ASP 299 N 0.37 0.62 -0.17 -0.43 3.58 -1.26 -0.77 116.42 118.37 3h30 h ASP 299 Ca 0.01 -0.51 0.02 0.00 0.42 0.00 0.00 57.03 56.96 3h30 h ASP 299 Cb 1.08 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 3h30 h ASP 299 CO 0.10 1.01 0.06 0.15 -2.88 0.00 0.00 179.24 177.68 3h30 h PHE 300 N 0.25 0.12 -0.47 0.28 3.57 -1.05 -1.76 116.94 117.87 3h30 h PHE 300 Ca 0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3h30 h PHE 300 Cb 0.87 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 3h30 h PHE 300 CO 0.08 0.06 0.27 1.25 -2.23 0.00 0.00 178.31 177.75 3h30 h LEU 301 N 0.15 0.44 -0.82 0.59 5.85 -0.88 -1.64 115.31 119.00 3h30 h LEU 301 Ca 0.07 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3h30 h LEU 301 Cb 0.04 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3h30 h LEU 301 CO -0.07 0.31 0.45 -0.78 -0.34 0.00 0.00 178.44 178.01 3h30 h ASP 302 N 0.55 0.61 0.92 1.25 3.58 -0.93 -1.00 116.42 121.39 3h30 h ASP 302 Ca 0.19 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.70 3h30 h ASP 302 Cb 0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3h30 h ASP 302 CO -0.09 0.33 0.00 0.29 -2.88 0.00 0.00 179.24 176.89 3h30 n LYS 303 N -4.79 0.01 -0.07 0.28 5.02 -0.68 -3.39 118.16 114.55 3h30 n LYS 303 Ca 0.14 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 3h30 n LYS 303 Cb 0.32 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.13 -6.95 -0.35 3.38 -0.52 -1.86 115.31 109.15 3h30 h LEU 304 Ca 0.00 -0.64 -0.73 0.00 0.09 0.00 0.00 57.88 56.60 3h30 h LEU 304 Cb 0.46 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 3h30 h LEU 304 CO 0.00 1.61 2.11 0.18 0.09 0.00 0.00 178.44 182.43 3h30 n LEU 305 N -4.14 6.01 -4.33 1.67 4.77 -0.46 -4.41 117.00 116.10 3h30 n LEU 305 Ca -0.32 -4.36 -0.31 0.00 -0.03 0.00 0.00 56.01 50.98 3h30 n LEU 305 Cb 0.80 -1.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.13 3h30 n LEU 305 CO 0.26 0.93 -0.55 -0.13 -1.33 0.00 0.00 177.39 176.58 3h30 s ARG 306 N 1.97 2.33 0.10 3.23 1.81 -1.26 -4.91 118.95 122.22 3h30 s ARG 306 Ca 0.45 -0.88 -0.29 0.00 -1.72 0.00 0.00 55.73 53.29 3h30 s ARG 306 Cb 0.06 -2.14 -0.12 0.00 -0.45 0.00 0.00 34.95 32.30 3h30 s ARG 306 CO -0.00 0.51 1.64 1.88 -0.68 0.00 0.00 175.30 178.65 3h30 h TYR 307 N 5.65 -0.72 -2.79 -0.53 0.05 -1.91 -3.40 116.97 113.32 3h30 h TYR 307 Ca -0.40 0.01 -0.56 0.00 0.05 0.00 0.00 58.73 57.82 3h30 h TYR 307 Cb 1.14 0.28 -0.03 0.00 1.01 0.00 0.00 36.73 39.14 3h30 h TYR 307 CO 0.42 -0.39 1.09 0.34 -1.05 0.00 0.00 178.16 178.57 3h30 s ASP 308 N -4.73 6.50 0.34 3.88 -1.08 -1.26 -4.73 116.67 115.59 3h30 s ASP 308 Ca -0.16 1.67 0.05 0.00 -0.52 0.00 0.00 52.55 53.59 3h30 s ASP 308 Cb 0.07 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.62 3h30 s ASP 308 CO 0.64 -1.15 1.89 1.12 0.52 0.00 0.00 175.17 178.19 3h30 h HIS 309 N 10.19 0.52 0.00 -5.34 2.07 -1.96 -1.26 115.15 119.37 3h30 h HIS 309 Ca -0.33 -0.05 -0.00 0.00 -2.85 0.00 0.00 60.37 57.14 3h30 h HIS 309 Cb 1.15 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.97 3h30 h HIS 309 CO 0.89 0.51 -0.02 1.96 -3.07 0.00 0.00 177.93 178.20 3h30 h GLN 310 N 0.49 0.00 0.00 5.12 4.20 -1.94 -2.99 115.11 119.99 3h30 h GLN 310 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3h30 h GLN 310 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3h30 h GLN 310 CO 0.01 0.02 -0.79 0.43 -0.67 0.00 0.00 178.83 177.83 3h30 n SER 311 N -3.42 0.64 -4.78 1.46 7.64 -0.48 -4.93 113.62 109.75 3h30 n SER 311 Ca -0.02 -0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.41 3h30 n SER 311 Cb 0.12 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3h30 n SER 311 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3h30 s ARG 312 N -3.15 3.36 0.33 1.43 0.52 -1.13 -4.96 118.95 115.35 3h30 s ARG 312 Ca 0.06 1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.52 3h30 s ARG 312 Cb 0.14 -2.01 -0.12 0.00 0.52 0.00 0.00 34.95 33.48 3h30 s ARG 312 CO 0.76 -0.83 1.37 1.28 0.02 0.00 0.00 175.30 177.90 3h30 n LEU 313 N -1.39 3.78 -4.76 2.53 4.77 -0.70 -5.01 117.00 116.22 3h30 n LEU 313 Ca 0.11 1.20 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 3h30 n LEU 313 Cb 0.51 -1.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.22 3h30 n LEU 313 CO 0.42 -0.32 0.69 0.42 -1.33 0.00 0.00 177.39 177.28 3h30 s THR 314 N -0.87 2.56 0.27 -5.08 -4.23 -1.26 -4.84 115.64 102.19 3h30 s THR 314 Ca 0.57 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 3h30 s THR 314 Cb -0.56 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 70.63 3h30 s THR 314 CO 0.60 -0.24 1.83 0.00 -0.54 0.00 0.00 174.62 176.27 3h30 h ALA 315 N -1.42 1.20 -0.40 3.99 0.00 -1.93 0.35 119.26 121.05 3h30 h ALA 315 Ca -0.50 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 3h30 h ALA 315 Cb 1.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3h30 h ALA 315 CO 0.58 0.57 -0.26 -0.09 0.00 0.00 0.00 179.25 180.06 3h30 h ARG 316 N 0.94 0.87 -0.86 0.00 9.65 -1.93 0.23 114.38 123.28 3h30 h ARG 316 Ca 0.22 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 3h30 h ARG 316 Cb 0.22 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3h30 h ARG 316 CO -0.01 1.06 0.44 0.93 2.80 0.00 0.00 179.97 185.18 3h30 h GLU 317 N 0.69 1.22 -0.65 0.20 5.08 -1.83 -1.86 114.58 117.43 3h30 h GLU 317 Ca 0.08 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3h30 h GLU 317 Cb 0.83 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3h30 h GLU 317 CO 0.07 0.92 0.29 0.00 -1.00 0.00 0.00 179.01 179.29 3h30 h ALA 318 N 1.24 0.84 -0.10 3.43 0.00 -0.71 -2.15 119.26 121.82 3h30 h ALA 318 Ca 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3h30 h ALA 318 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h30 h ALA 318 CO -0.04 0.43 0.07 0.52 0.00 0.00 0.00 179.25 180.23 3h30 h MET 319 N 0.91 0.00 -0.01 0.00 2.86 -0.35 -1.25 114.93 117.09 3h30 h MET 319 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3h30 h MET 319 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3h30 h MET 319 CO -0.02 0.00 -0.06 0.39 1.06 0.00 0.00 176.91 178.28 3h30 n GLU 320 N -4.46 1.16 -2.67 1.72 -0.58 -0.75 -4.84 120.64 110.20 3h30 n GLU 320 Ca -0.01 -0.50 -0.37 0.00 -0.42 0.00 0.00 57.16 55.86 3h30 n GLU 320 Cb 0.19 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.19 3.58 0.02 -0.32 2.46 -0.47 -4.94 115.29 113.42 3h30 s HIS 321 Ca 0.36 1.74 0.29 0.00 0.47 0.00 0.00 55.06 57.93 3h30 s HIS 321 Cb 0.21 -3.03 1.51 0.00 -0.13 0.00 0.00 32.58 31.13 3h30 s HIS 321 CO 0.40 -0.11 1.90 -1.00 -2.47 0.00 0.00 174.74 173.46 3h30 h PRO 322 N 3.12 0.00 -1.21 2.88 0.13 -1.92 -1.16 132.00 133.84 3h30 h PRO 322 Ca -0.47 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.01 3h30 h PRO 322 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3h30 h PRO 322 CO 0.65 0.00 0.85 -0.92 -0.23 0.00 0.00 178.00 178.34 3h30 h TYR 323 N 0.00 0.19 -0.47 1.56 3.20 -1.92 -0.93 116.97 118.60 3h30 h TYR 323 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3h30 h TYR 323 Cb 0.11 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.33 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 -4.31 1.24 0.07 -3.82 3.72 -0.44 -4.74 117.46 109.19 3h30 n PHE 324 Ca 0.28 -0.69 -0.13 0.00 -0.05 0.00 0.00 57.45 56.85 3h30 n PHE 324 Cb 1.22 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 39.42 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 3.02 -0.10 0.22 1.38 3.20 -1.29 -3.01 116.97 120.39 3h30 h TYR 325 Ca 0.00 -0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.54 3h30 h TYR 325 Cb 1.41 0.03 0.03 0.00 1.54 0.00 0.00 36.73 39.75 3h30 h TYR 325 CO 0.65 0.01 -1.42 1.15 -1.64 0.00 0.00 178.16 176.91 3h30 h THR 326 N -0.20 1.32 0.00 1.81 2.02 -1.85 -3.36 112.91 112.66 3h30 h THR 326 Ca -0.01 -2.74 -0.04 0.00 0.77 0.00 0.00 66.41 64.39 3h30 h THR 326 Cb 0.17 2.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3h30 h THR 326 CO 0.02 0.82 -0.18 1.62 0.37 0.00 0.00 175.52 178.17 3h30 h VAL 327 N 0.15 0.72 0.00 3.16 3.04 -1.85 -0.07 116.25 121.40 3h30 h VAL 327 Ca -0.23 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3h30 h VAL 327 Cb 2.11 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 32.85 3h30 h VAL 327 CO 0.26 0.18 0.00 -0.37 -1.01 0.00 0.00 177.57 176.63 3h30 h VAL 328 N 0.00 0.00 -0.17 1.51 -1.51 -1.67 -1.95 116.25 112.46 3h30 h VAL 328 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3h30 h VAL 328 Cb 0.44 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3h30 h VAL 328 CO 0.02 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.65 3h30 n LYS 329 N -2.55 1.41 -1.63 5.19 5.02 -0.04 -4.97 118.16 120.59 3h30 n LYS 329 Ca 0.00 -0.61 -0.46 0.00 -2.02 0.00 0.00 58.31 55.22 3h30 n LYS 329 Cb 0.17 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.00 2.00 -1.61 4.39 2.03 -0.74 -4.89 116.55 117.72 3h30 n ASP 330 Ca 0.06 1.16 0.08 0.00 0.52 0.00 0.00 54.79 56.60 3h30 n ASP 330 Cb 0.16 -1.33 0.36 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 1.55 4.22 -2.46 -0.67 1.13 -1.26 -4.96 117.38 114.93 3h30 n GLN 331 Ca 0.12 -3.02 -0.15 0.00 -1.94 0.00 0.00 57.00 52.01 3h30 n GLN 331 Cb 0.30 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 28.58 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 0.56 -0.53 -2.47 -1.58 0.00 -1.26 -4.96 120.51 110.27 3h30 n ALA 332 Ca 0.26 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3h30 n ALA 332 Cb 1.05 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 -4.95 4.27 0.00 0.00 3.52 -1.26 -5.14 118.95 115.38 3h30 s ARG 333 Ca 0.07 1.62 0.31 0.00 -0.13 0.00 0.00 55.73 57.60 3h30 s ARG 333 Cb -0.03 -3.70 1.61 0.00 -1.56 0.00 0.00 34.95 31.28 3h30 s ARG 333 CO 0.09 -0.63 2.06 -1.33 -0.81 0.00 0.00 175.30 174.69