#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0t n PHE 2 N 0.00 -1.51 -4.23 3.10 -1.74 -1.26 -5.04 117.46 106.78 3h0t n PHE 2 Ca 0.00 0.22 -0.14 0.00 -0.56 0.00 0.00 57.45 56.97 3h0t n PHE 2 Cb 0.00 -1.55 -0.10 0.00 1.52 0.00 0.00 39.48 39.35 3h0t n PHE 2 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 3h0t s MET 3 N -3.20 1.01 -0.14 3.97 -1.94 -1.26 -4.98 119.30 112.76 3h0t s MET 3 Ca 0.53 -1.40 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 3h0t s MET 3 Cb -0.09 -0.58 0.01 0.00 2.01 0.00 0.00 34.83 36.18 3h0t s MET 3 CO 0.67 0.07 -0.21 -0.51 -0.01 0.00 0.00 175.02 175.02 3h0t s LEU 4 N -3.06 2.07 -0.16 -0.03 1.43 -1.26 -0.85 118.68 116.82 3h0t s LEU 4 Ca 0.15 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3h0t s LEU 4 Cb 0.02 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 3h0t s LEU 4 CO 0.00 0.07 -0.14 -0.89 0.23 0.00 0.00 176.35 175.61 3h0t s THR 5 N 0.87 2.76 0.17 5.49 2.01 -0.39 -3.69 115.64 122.85 3h0t s THR 5 Ca -0.06 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.30 3h0t s THR 5 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3h0t s THR 5 CO -0.03 0.51 -0.20 -1.10 -0.69 0.00 0.00 174.62 173.11 3h0t s GLN 6 N 0.81 1.33 0.64 4.92 -0.21 -1.26 -1.58 119.66 124.31 3h0t s GLN 6 Ca -0.05 -1.41 -0.18 0.00 0.02 0.00 0.00 55.36 53.74 3h0t s GLN 6 Cb -0.15 -1.49 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 3h0t s GLN 6 CO 0.00 0.32 1.00 -0.35 -2.12 0.00 0.00 175.29 174.14 3h0t n PRO 7 N 0.38 0.83 -0.12 2.91 -0.04 -1.26 -4.84 135.00 132.86 3h0t n PRO 7 Ca -0.14 0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 3h0t n PRO 7 Cb 0.56 -2.22 -0.02 0.00 -0.04 0.00 0.00 33.50 31.78 3h0t n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h0t h HIS 8 N 0.32 1.09 -3.71 0.54 2.76 -1.96 -3.37 115.15 110.82 3h0t h HIS 8 Ca -0.49 -0.31 -0.08 0.00 -2.20 0.00 0.00 60.37 57.29 3h0t h HIS 8 Cb 1.36 -0.23 -0.11 0.00 1.55 0.00 0.00 27.41 29.97 3h0t h HIS 8 CO 0.38 1.13 -0.19 -1.54 -1.30 0.00 0.00 177.93 176.40 3h0t s SER 9 N -6.76 -0.06 -0.20 3.26 1.04 -1.26 -1.58 113.70 108.13 3h0t s SER 9 Ca -0.11 -0.80 -0.21 0.00 0.48 0.00 0.00 55.95 55.30 3h0t s SER 9 Cb 0.11 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.79 3h0t s SER 9 CO 0.87 -0.99 0.60 -0.69 0.98 0.00 0.00 173.24 174.01 3h0t s VAL 10 N -3.96 0.00 0.03 5.02 1.01 -0.56 -4.88 120.40 117.05 3h0t s VAL 10 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3h0t s VAL 10 Cb 0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 3h0t s VAL 10 CO 0.02 -0.01 0.06 -0.94 0.00 0.00 0.00 175.10 174.23 3h0t s SER 11 N 0.14 0.19 -0.14 3.32 1.04 -1.26 -1.97 113.70 115.02 3h0t s SER 11 Ca -0.01 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 3h0t s SER 11 Cb -0.04 0.19 0.12 0.00 0.10 0.00 0.00 66.02 66.39 3h0t s SER 11 CO 0.02 -0.44 0.95 -0.70 0.98 0.00 0.00 173.24 174.05 3h0t s GLU 12 N -2.18 0.66 0.48 4.02 2.56 -0.97 -4.98 118.70 118.29 3h0t s GLU 12 Ca -0.09 0.16 -0.20 0.00 0.00 0.00 0.00 54.97 54.84 3h0t s GLU 12 Cb -0.04 0.31 -0.09 0.00 2.00 0.00 0.00 34.13 36.31 3h0t s GLU 12 CO -0.03 -0.21 1.02 -1.12 -0.56 0.00 0.00 175.26 174.36 3h0t s SER 13 N -1.12 6.47 0.36 -1.70 0.01 -1.26 -1.39 113.70 115.07 3h0t s SER 13 Ca -0.03 1.85 -0.28 0.00 1.31 0.00 0.00 55.95 58.80 3h0t s SER 13 Cb -0.00 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.56 3h0t s SER 13 CO 0.03 -0.69 1.41 -0.81 0.41 0.00 0.00 173.24 173.59 3h0t n PRO 14 N -0.95 2.45 0.00 12.44 -0.04 -1.26 -2.20 135.00 145.44 3h0t n PRO 14 Ca 0.09 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 3h0t n PRO 14 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3h0t n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0t n GLY 15 N 0.63 2.97 3.94 0.55 0.00 -0.01 -4.83 105.19 108.44 3h0t n GLY 15 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3h0t n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0t s LYS 16 N -0.15 1.02 -0.11 1.61 1.02 -0.94 -3.25 119.74 118.95 3h0t s LYS 16 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 3h0t s LYS 16 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3h0t s LYS 16 CO 0.00 -2.12 0.02 0.99 -0.92 0.00 0.00 175.35 173.33 3h0t s THR 17 N -3.71 4.48 0.03 2.17 2.01 -1.26 -2.17 115.64 117.20 3h0t s THR 17 Ca 0.71 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.56 3h0t s THR 17 Cb -0.05 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 3h0t s THR 17 CO 0.51 0.58 -0.10 0.54 -0.69 0.00 0.00 174.62 175.46 3h0t s VAL 18 N -0.67 0.74 0.03 3.82 0.11 0.30 -5.00 120.40 119.74 3h0t s VAL 18 Ca 0.11 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.35 3h0t s VAL 18 Cb -0.12 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3h0t s VAL 18 CO 0.02 -0.13 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.57 3h0t s THR 19 N -0.92 1.66 -0.15 5.04 2.01 -1.26 -0.39 115.64 121.63 3h0t s THR 19 Ca -0.03 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.84 3h0t s THR 19 Cb -0.08 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.03 3h0t s THR 19 CO 0.01 0.26 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 3h0t s ILE 20 N -0.73 1.46 0.35 1.82 1.01 -0.35 -4.99 121.20 119.77 3h0t s ILE 20 Ca 0.08 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3h0t s ILE 20 Cb -0.09 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3h0t s ILE 20 CO 0.01 0.36 0.53 -0.44 0.00 0.00 0.00 174.94 175.41 3h0t s SER 21 N 1.52 6.21 -0.22 3.58 0.01 -1.26 -0.78 113.70 122.75 3h0t s SER 21 Ca 0.03 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.58 3h0t s SER 21 Cb -0.14 -1.88 0.09 0.00 0.21 0.00 0.00 66.02 64.31 3h0t s SER 21 CO -0.10 -0.33 0.20 0.00 0.41 0.00 0.00 173.24 173.42 3h0t s THR 23 N 2.28 5.20 -0.17 0.00 2.01 -0.61 -0.63 115.64 123.71 3h0t s THR 23 Ca 0.07 0.81 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 3h0t s THR 23 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3h0t s THR 23 CO -0.16 0.38 0.33 -0.60 -0.69 0.00 0.00 174.62 173.88 3h0t s ARG 24 N 0.31 4.23 -0.00 4.92 3.52 -0.20 -1.27 118.95 130.47 3h0t s ARG 24 Ca 0.23 0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.71 3h0t s ARG 24 Cb -0.15 -3.47 -0.17 0.00 -1.56 0.00 0.00 34.95 29.61 3h0t s ARG 24 CO 0.09 0.14 1.18 0.66 -0.81 0.00 0.00 175.30 176.56 3h0t h SER 25 N 6.94 -0.28 -4.26 -2.12 4.64 -1.32 -3.45 113.55 113.69 3h0t h SER 25 Ca -0.39 -0.23 -0.32 0.00 -0.47 0.00 0.00 61.79 60.38 3h0t h SER 25 Cb 1.16 0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 3h0t h SER 25 CO 0.74 0.12 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.21 3h0t s SER 26 N -5.21 1.46 0.00 4.97 1.04 -1.26 -4.99 113.70 109.71 3h0t s SER 26 Ca -0.14 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.12 3h0t s SER 26 Cb 0.02 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3h0t s SER 26 CO 0.55 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3h0t n GLY 27 N -0.29 -1.44 3.66 7.32 0.00 -1.26 -4.77 105.19 108.40 3h0t n GLY 27 Ca -0.06 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3h0t n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h0t s SER 28 N -2.94 6.65 0.35 1.61 0.15 -1.26 -4.95 113.70 113.31 3h0t s SER 28 Ca 0.00 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.46 3h0t s SER 28 Cb 0.00 -2.33 0.62 0.00 -1.71 0.00 0.00 66.02 62.60 3h0t s SER 28 CO 0.00 -0.26 1.99 -0.29 1.20 0.00 0.00 173.24 175.88 3h0t h ILE 29 N 5.18 1.17 0.00 6.45 6.09 -1.89 -1.74 117.51 132.77 3h0t h ILE 29 Ca -0.32 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 3h0t h ILE 29 Cb 1.14 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.78 3h0t h ILE 29 CO 0.76 0.18 0.00 0.00 -3.07 0.00 0.00 178.15 176.02 3h0t h ALA 30 N 1.58 1.00 0.00 0.18 0.00 -1.92 -3.14 119.26 116.96 3h0t h ALA 30 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h0t h ALA 30 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h0t h ALA 30 CO -0.04 0.00 -0.20 0.77 0.00 0.00 0.00 179.25 179.78 3h0t h SER 31 N 0.00 0.00 -4.20 0.00 0.02 -1.72 -3.45 113.55 104.19 3h0t h SER 31 Ca 0.00 -0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.45 3h0t h SER 31 Cb 0.60 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.85 3h0t h SER 31 CO 0.00 0.02 -0.81 -0.31 -1.14 0.00 0.00 176.83 174.59 3h0t s TYR 32 N -3.18 1.20 0.35 3.45 2.02 -1.19 -5.09 117.35 114.92 3h0t s TYR 32 Ca 0.07 -0.24 -0.28 0.00 -0.37 0.00 0.00 57.07 56.26 3h0t s TYR 32 Cb 0.09 -0.77 -0.09 0.00 -0.40 0.00 0.00 41.96 40.79 3h0t s TYR 32 CO 0.66 -0.01 1.24 0.71 -1.57 0.00 0.00 175.55 176.58 3h0t s TYR 33 N -0.37 3.10 -0.22 2.71 2.02 -1.26 -4.92 117.35 118.41 3h0t s TYR 33 Ca 0.05 1.49 -0.05 0.00 -0.37 0.00 0.00 57.07 58.19 3h0t s TYR 33 Cb -0.05 -3.55 -0.02 0.00 -0.40 0.00 0.00 41.96 37.94 3h0t s TYR 33 CO -0.00 -1.55 -0.01 0.08 -1.57 0.00 0.00 175.55 172.49 3h0t s VAL 34 N -1.23 3.74 0.11 0.71 1.01 -1.26 -4.40 120.40 119.08 3h0t s VAL 34 Ca 0.51 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3h0t s VAL 34 Cb -0.36 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3h0t s VAL 34 CO 0.47 0.41 0.15 -1.10 0.00 0.00 0.00 175.10 175.03 3h0t s GLN 35 N 1.29 3.06 -0.05 2.72 1.11 -0.07 -1.38 119.66 126.34 3h0t s GLN 35 Ca 0.04 -0.69 0.05 0.00 0.01 0.00 0.00 55.36 54.77 3h0t s GLN 35 Cb -0.15 -2.79 -0.01 0.00 -1.01 0.00 0.00 33.01 29.06 3h0t s GLN 35 CO 0.00 0.54 -0.21 -1.58 0.01 0.00 0.00 175.29 174.05 3h0t s TRP 36 N -1.57 2.07 -0.03 0.91 0.52 0.14 -0.89 118.94 120.09 3h0t s TRP 36 Ca 0.31 -0.59 0.07 0.00 0.02 0.00 0.00 56.10 55.92 3h0t s TRP 36 Cb -0.12 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3h0t s TRP 36 CO 0.24 -0.18 -0.25 0.71 0.02 0.00 0.00 176.95 177.49 3h0t s TYR 37 N -0.11 2.35 -0.10 -1.98 2.02 0.60 -1.62 117.35 118.51 3h0t s TYR 37 Ca -0.02 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3h0t s TYR 37 Cb -0.12 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3h0t s TYR 37 CO 0.03 -0.11 0.08 -1.14 -1.57 0.00 0.00 175.55 172.83 3h0t s GLN 38 N -0.43 3.23 -0.20 -0.62 0.74 0.10 -1.10 119.66 121.39 3h0t s GLN 38 Ca 0.05 -0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 3h0t s GLN 38 Cb -0.11 -3.01 0.08 0.00 1.10 0.00 0.00 33.01 31.07 3h0t s GLN 38 CO 0.01 0.74 0.17 -1.14 -0.55 0.00 0.00 175.29 174.53 3h0t s GLN 39 N -0.98 0.15 0.48 1.67 0.74 0.22 0.16 119.66 122.11 3h0t s GLN 39 Ca 0.14 0.06 -0.19 0.00 0.05 0.00 0.00 55.36 55.43 3h0t s GLN 39 Cb -0.12 -1.41 -0.09 0.00 1.10 0.00 0.00 33.01 32.49 3h0t s GLN 39 CO 0.03 -0.69 0.99 1.03 -0.55 0.00 0.00 175.29 176.11 3h0t s ARG 40 N 2.25 3.96 0.20 1.67 0.52 -1.26 -0.92 118.95 125.38 3h0t s ARG 40 Ca 0.05 1.15 -0.31 0.00 -0.52 0.00 0.00 55.73 56.10 3h0t s ARG 40 Cb -0.16 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.07 3h0t s ARG 40 CO -0.13 -0.27 1.62 -2.14 0.02 0.00 0.00 175.30 174.40 3h0t s PRO 41 N -3.49 4.18 0.00 3.54 0.02 -1.26 -1.23 135.00 136.76 3h0t s PRO 41 Ca 0.63 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.12 3h0t s PRO 41 Cb -0.12 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3h0t s PRO 41 CO 0.21 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3h0t n GLY 42 N 3.52 0.55 3.43 0.52 0.00 -1.26 -5.03 105.19 106.92 3h0t n GLY 42 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3h0t n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h0t s SER 43 N -2.14 3.17 0.58 1.61 0.01 -0.36 -5.14 113.70 111.42 3h0t s SER 43 Ca 0.00 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.06 3h0t s SER 43 Cb 0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3h0t s SER 43 CO 0.00 -0.08 1.03 -0.94 0.41 0.00 0.00 173.24 173.65 3h0t s SER 44 N -3.44 6.12 0.89 2.44 1.04 -1.26 -4.61 113.70 114.88 3h0t s SER 44 Ca 0.27 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 3h0t s SER 44 Cb -0.02 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.72 3h0t s SER 44 CO 0.12 -0.94 1.10 -2.84 0.98 0.00 0.00 173.24 171.66 3h0t s PRO 45 N -4.37 1.27 -0.02 4.02 0.02 -1.26 -4.62 135.00 130.04 3h0t s PRO 45 Ca 0.60 1.15 0.03 0.00 0.02 0.00 0.00 61.00 62.80 3h0t s PRO 45 Cb -0.13 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.61 3h0t s PRO 45 CO 0.40 -2.33 -0.10 0.99 -0.33 0.00 0.00 177.00 175.63 3h0t s THR 46 N -2.79 0.85 -0.04 0.99 2.01 0.12 -4.95 115.64 111.83 3h0t s THR 46 Ca 0.64 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3h0t s THR 46 Cb -0.20 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3h0t s THR 46 CO 0.58 0.26 1.20 -0.89 -0.69 0.00 0.00 174.62 175.07 3h0t s THR 47 N 0.05 4.24 -0.16 -0.82 2.01 -1.26 0.03 115.64 119.72 3h0t s THR 47 Ca -0.01 1.58 0.11 0.00 0.31 0.00 0.00 61.69 63.68 3h0t s THR 47 Cb -0.07 -4.01 -0.18 0.00 0.01 0.00 0.00 72.50 68.24 3h0t s THR 47 CO 0.00 0.02 0.01 1.33 -0.69 0.00 0.00 174.62 175.29 3h0t n VAL 48 N 4.52 1.08 -3.90 3.82 0.24 -0.64 -4.81 118.33 118.64 3h0t n VAL 48 Ca 0.11 -0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 61.64 3h0t n VAL 48 Cb 0.46 -0.70 -0.15 0.00 -1.47 0.00 0.00 33.84 31.98 3h0t n VAL 48 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3h0t s ILE 49 N -2.38 0.10 0.29 1.34 -1.09 -1.10 -4.17 121.20 114.19 3h0t s ILE 49 Ca -0.11 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.42 3h0t s ILE 49 Cb 0.05 -0.16 -0.06 0.00 -1.58 0.00 0.00 42.46 40.71 3h0t s ILE 49 CO 0.60 0.09 -0.01 -0.72 -1.23 0.00 0.00 174.94 173.66 3h0t s TYR 50 N 0.61 1.91 -0.91 3.97 -0.85 0.12 -0.69 117.35 121.52 3h0t s TYR 50 Ca -0.06 -0.80 -0.20 0.00 -0.52 0.00 0.00 57.07 55.49 3h0t s TYR 50 Cb -0.08 -1.15 0.03 0.00 0.38 0.00 0.00 41.96 41.13 3h0t s TYR 50 CO -0.01 0.16 0.55 0.39 -1.52 0.00 0.00 175.55 175.11 3h0t n GLU 51 N -0.60 -0.66 0.00 -3.49 1.02 -1.24 0.08 120.64 115.75 3h0t n GLU 51 Ca -0.04 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3h0t n GLU 51 Cb 0.64 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3h0t n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h0t n ASP 52 N -1.80 0.00 0.00 1.62 9.92 -0.48 -3.46 116.55 122.35 3h0t n ASP 52 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 3h0t n ASP 52 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 3h0t n ASP 52 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3h0t n SER 53 N 1.13 0.00 -4.73 -2.24 3.41 -1.04 -3.28 113.62 106.88 3h0t n SER 53 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3h0t n SER 53 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3h0t n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3h0t s GLN 54 N 0.00 4.28 -0.31 4.33 -1.52 0.11 -4.54 119.66 122.02 3h0t s GLN 54 Ca 0.00 2.23 -0.05 0.00 -1.95 0.00 0.00 55.36 55.59 3h0t s GLN 54 Cb 0.00 -3.17 0.03 0.00 -0.22 0.00 0.00 33.01 29.65 3h0t s GLN 54 CO 0.00 -0.47 0.06 0.50 -0.25 0.00 0.00 175.29 175.13 3h0t s ARG 55 N 0.58 2.77 0.89 2.91 3.52 -1.26 0.13 118.95 128.47 3h0t s ARG 55 Ca 0.64 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.06 3h0t s ARG 55 Cb -0.40 -3.32 0.11 0.00 -1.56 0.00 0.00 34.95 29.78 3h0t s ARG 55 CO 0.35 -0.55 1.06 -0.35 -0.81 0.00 0.00 175.30 175.00 3h0t n PRO 56 N 4.78 -0.25 -1.68 5.12 -0.04 -1.26 -4.89 135.00 136.78 3h0t n PRO 56 Ca -0.14 -0.01 -0.47 0.00 -0.04 0.00 0.00 63.50 62.84 3h0t n PRO 56 Cb 0.46 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 3h0t n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h0t n SER 57 N -3.56 3.44 0.00 3.54 2.88 -1.26 -2.22 113.62 116.45 3h0t n SER 57 Ca 0.12 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3h0t n SER 57 Cb 0.52 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3h0t n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h0t n GLY 58 N 4.22 1.17 3.66 0.46 0.00 -1.26 -5.07 105.19 108.38 3h0t n GLY 58 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3h0t n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0t s VAL 59 N -2.28 4.82 0.38 1.61 1.01 -0.94 -5.00 120.40 120.00 3h0t s VAL 59 Ca 0.00 1.72 -0.24 0.00 0.00 0.00 0.00 61.98 63.46 3h0t s VAL 59 Cb 0.00 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 3h0t s VAL 59 CO 0.00 -0.04 0.65 -2.65 0.00 0.00 0.00 175.10 173.06 3h0t n PRO 60 N 5.63 0.69 0.00 2.72 -0.02 -1.26 -4.87 135.00 137.90 3h0t n PRO 60 Ca 0.06 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 3h0t n PRO 60 Cb 0.48 -1.55 0.33 0.00 -0.02 0.00 0.00 33.50 32.74 3h0t n PRO 60 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h0t n ASP 61 N 1.29 0.00 0.29 2.55 5.68 -1.26 -2.28 116.55 122.82 3h0t n ASP 61 Ca 0.12 0.38 0.19 0.00 -0.50 0.00 0.00 54.79 54.97 3h0t n ASP 61 Cb 0.37 -0.44 0.98 0.00 -1.14 0.00 0.00 41.12 40.89 3h0t n ASP 61 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3h0t h ARG 62 N 0.00 0.00 -5.41 0.11 3.08 -1.89 -3.42 114.38 106.85 3h0t h ARG 62 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3h0t h ARG 62 Cb 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 3h0t h ARG 62 CO 0.00 0.00 -0.22 -0.06 -1.07 0.00 0.00 179.97 178.62 3h0t s PHE 63 N -4.34 3.37 -0.03 3.04 0.40 -0.97 -1.73 117.98 117.72 3h0t s PHE 63 Ca -0.05 0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 56.81 3h0t s PHE 63 Cb 0.13 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 41.16 3h0t s PHE 63 CO 0.44 -0.00 0.16 -1.54 0.70 0.00 0.00 175.22 174.97 3h0t s SER 64 N 1.04 -0.08 0.16 1.36 1.04 -0.54 -4.98 113.70 111.70 3h0t s SER 64 Ca 0.18 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.72 3h0t s SER 64 Cb -0.15 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 3h0t s SER 64 CO 0.08 -0.21 0.26 -0.83 0.98 0.00 0.00 173.24 173.52 3h0t s GLY 65 N -0.64 1.68 0.23 7.32 0.00 -1.26 -1.01 107.32 113.64 3h0t s GLY 65 Ca -0.07 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.43 3h0t s GLY 65 CO 0.01 -1.08 0.48 -1.35 0.00 0.00 0.00 173.10 171.17 3h0t s SER 66 N -3.25 -0.12 0.00 1.64 1.04 -0.79 -4.53 113.70 107.69 3h0t s SER 66 Ca 0.34 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3h0t s SER 66 Cb -0.11 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 3h0t s SER 66 CO 0.28 -1.11 -0.02 -0.63 0.98 0.00 0.00 173.24 172.73 3h0t s ILE 67 N -3.97 0.16 -0.53 -1.02 -1.09 -1.26 -1.58 121.20 111.90 3h0t s ILE 67 Ca 0.18 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 3h0t s ILE 67 Cb -0.01 -0.17 0.17 0.00 -1.58 0.00 0.00 42.46 40.87 3h0t s ILE 67 CO 0.05 -0.06 0.40 -0.62 -1.23 0.00 0.00 174.94 173.49 3h0t s ASP 68 N -0.32 2.80 0.28 3.58 -1.08 -0.38 -4.96 116.67 116.60 3h0t s ASP 68 Ca -0.02 -3.38 0.14 0.00 -0.52 0.00 0.00 52.55 48.77 3h0t s ASP 68 Cb -0.02 -0.92 0.77 0.00 -1.46 0.00 0.00 42.92 41.29 3h0t s ASP 68 CO -0.00 -0.14 1.36 -0.24 0.52 0.00 0.00 175.17 176.67 3h0t n SER 69 N 2.50 0.37 0.07 -0.34 2.88 -1.26 -0.87 113.62 116.97 3h0t n SER 69 Ca 0.26 0.60 -0.04 0.00 -1.33 0.00 0.00 58.87 58.36 3h0t n SER 69 Cb 0.43 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.28 3h0t n SER 69 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3h0t h SER 70 N 0.00 -0.20 0.45 -3.46 0.87 -1.94 -3.30 113.55 105.96 3h0t h SER 70 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3h0t h SER 70 Cb 0.36 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3h0t h SER 70 CO 0.00 0.15 0.00 -1.54 -0.53 0.00 0.00 176.83 174.91 3h0t n SER 71 N -4.29 0.00 -2.94 6.23 3.41 -0.51 -4.90 113.62 110.62 3h0t n SER 71 Ca -0.03 -0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.29 3h0t n SER 71 Cb 0.10 -0.26 0.07 0.00 -0.26 0.00 0.00 64.21 63.85 3h0t n SER 71 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h0t n ASN 72 N -1.26 -2.75 -3.70 4.04 5.15 -0.05 -4.76 115.26 111.94 3h0t n ASN 72 Ca 0.13 -0.48 -0.12 0.00 -0.60 0.00 0.00 54.58 53.51 3h0t n ASN 72 Cb 0.20 -4.16 -0.12 0.00 -0.53 0.00 0.00 39.78 35.16 3h0t n ASN 72 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3h0t s SER 73 N -3.91 -0.22 0.52 1.20 1.04 -1.16 -1.03 113.70 110.14 3h0t s SER 73 Ca 0.10 0.68 -0.06 0.00 0.48 0.00 0.00 55.95 57.14 3h0t s SER 73 Cb -0.04 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3h0t s SER 73 CO 0.58 -0.19 0.85 0.00 0.98 0.00 0.00 173.24 175.45 3h0t s ALA 74 N 1.63 3.33 -0.12 5.32 0.00 0.20 -1.24 121.76 130.89 3h0t s ALA 74 Ca -0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 3h0t s ALA 74 Cb -0.10 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.35 3h0t s ALA 74 CO -0.10 -0.45 0.30 -1.12 0.00 0.00 0.00 175.76 174.40 3h0t s SER 75 N -4.13 -0.32 -0.17 0.00 0.01 -0.62 -0.17 113.70 108.30 3h0t s SER 75 Ca 0.49 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 58.37 3h0t s SER 75 Cb -0.10 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.74 3h0t s SER 75 CO 0.47 -0.11 -0.13 -0.22 0.41 0.00 0.00 173.24 173.65 3h0t s LEU 76 N 0.31 2.54 -0.08 2.44 2.96 0.04 -1.88 118.68 125.00 3h0t s LEU 76 Ca -0.01 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3h0t s LEU 76 Cb -0.03 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3h0t s LEU 76 CO -0.01 0.05 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 3h0t s THR 77 N 1.02 2.75 -0.09 3.68 2.01 -0.18 -1.20 115.64 123.62 3h0t s THR 77 Ca -0.01 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3h0t s THR 77 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.29 3h0t s THR 77 CO -0.03 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 3h0t s ILE 78 N -0.14 1.22 0.30 1.82 1.01 0.47 -1.47 121.20 124.42 3h0t s ILE 78 Ca -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.24 3h0t s ILE 78 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3h0t s ILE 78 CO 0.04 0.39 0.14 -0.94 0.00 0.00 0.00 174.94 174.56 3h0t s SER 79 N 1.06 4.89 -1.21 3.58 1.04 -0.71 -0.53 113.70 121.82 3h0t s SER 79 Ca -0.06 -0.60 -0.24 0.00 0.48 0.00 0.00 55.95 55.52 3h0t s SER 79 Cb -0.15 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.07 3h0t s SER 79 CO -0.01 -0.18 0.69 0.61 0.98 0.00 0.00 173.24 175.32 3h0t n GLY 80 N -1.12 -0.83 3.75 7.32 0.00 -1.01 -4.80 105.19 108.49 3h0t n GLY 80 Ca -0.05 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3h0t n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h0t n LEU 81 N -4.57 4.35 -4.37 0.99 4.77 -0.92 -4.49 117.00 112.76 3h0t n LEU 81 Ca -0.13 1.20 -0.21 0.00 -0.03 0.00 0.00 56.01 56.85 3h0t n LEU 81 Cb 0.59 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 3h0t n LEU 81 CO 0.72 -0.00 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.77 3h0t s LYS 82 N -1.55 1.39 0.44 3.23 1.02 -1.26 -0.83 119.74 122.17 3h0t s LYS 82 Ca 0.57 -1.57 0.16 0.00 0.02 0.00 0.00 55.97 55.15 3h0t s LYS 82 Cb -0.51 -1.32 0.99 0.00 -0.52 0.00 0.00 37.83 36.47 3h0t s LYS 82 CO 0.59 0.24 1.96 1.79 -0.92 0.00 0.00 175.35 179.01 3h0t h THR 83 N 2.71 1.09 -0.40 2.17 1.35 -1.94 -0.20 112.91 117.69 3h0t h THR 83 Ca -0.40 -0.78 0.12 0.00 -0.55 0.00 0.00 66.41 64.80 3h0t h THR 83 Cb 1.22 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 3h0t h THR 83 CO 0.58 0.22 0.53 1.05 -0.25 0.00 0.00 175.52 177.66 3h0t h GLU 84 N 0.00 0.00 0.00 4.72 4.11 -2.00 -1.87 114.58 119.54 3h0t h GLU 84 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h0t h GLU 84 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h0t h GLU 84 CO 0.03 0.00 -0.04 -0.25 0.07 0.00 0.00 179.01 178.81 3h0t n ASP 85 N -3.47 0.43 -4.65 3.06 8.00 -0.09 -4.78 116.55 115.06 3h0t n ASP 85 Ca 0.07 0.49 -0.45 0.00 0.71 0.00 0.00 54.79 55.61 3h0t n ASP 85 Cb 0.70 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 3h0t n ASP 85 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3h0t n GLU 86 N -1.89 2.36 -3.78 -1.24 2.13 -0.71 -4.89 120.64 112.63 3h0t n GLU 86 Ca 0.06 0.83 0.02 0.00 0.66 0.00 0.00 57.16 58.73 3h0t n GLU 86 Cb 0.39 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 29.23 3h0t n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h0t s ALA 87 N 5.05 -2.28 0.09 4.31 0.00 -1.09 -4.82 121.76 123.02 3h0t s ALA 87 Ca 0.93 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 3h0t s ALA 87 Cb -0.55 0.60 -0.07 0.00 0.00 0.00 0.00 23.12 23.11 3h0t s ALA 87 CO 0.45 -1.09 0.60 -0.51 0.00 0.00 0.00 175.76 175.21 3h0t s ASP 88 N -3.34 7.10 -0.04 0.00 1.01 -0.09 -1.05 116.67 120.26 3h0t s ASP 88 Ca 0.21 1.31 0.05 0.00 0.71 0.00 0.00 52.55 54.83 3h0t s ASP 88 Cb 0.02 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 3h0t s ASP 88 CO -0.02 0.26 -0.20 -0.31 0.21 0.00 0.00 175.17 175.11 3h0t s TYR 89 N -1.13 1.97 -0.04 4.23 1.51 -0.18 -0.61 117.35 123.11 3h0t s TYR 89 Ca 0.30 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 3h0t s TYR 89 Cb -0.20 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3h0t s TYR 89 CO 0.20 -0.16 -0.18 0.71 -1.11 0.00 0.00 175.55 175.00 3h0t s TYR 90 N -0.11 1.80 0.24 2.71 2.02 -0.26 -1.08 117.35 122.66 3h0t s TYR 90 Ca -0.02 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 3h0t s TYR 90 Cb -0.12 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3h0t s TYR 90 CO 0.02 -0.14 0.42 0.00 -1.57 0.00 0.00 175.55 174.28 3h0t s GLN 92 N -3.66 0.55 0.00 0.00 -0.44 -0.06 -0.06 119.66 115.99 3h0t s GLN 92 Ca 0.38 0.26 0.00 0.00 -2.50 0.00 0.00 55.36 53.49 3h0t s GLN 92 Cb -0.10 0.26 0.00 0.00 -1.64 0.00 0.00 33.01 31.52 3h0t s GLN 92 CO 0.31 -0.11 0.00 0.45 0.50 0.00 0.00 175.29 176.43 3h0t n SER 93 N 2.22 0.00 -3.38 6.67 2.88 0.16 -0.89 113.62 121.27 3h0t n SER 93 Ca -0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 3h0t n SER 93 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 3h0t n SER 93 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3h0t s TYR 94 N -1.24 -0.00 0.00 0.66 1.13 -1.26 -1.28 117.35 115.36 3h0t s TYR 94 Ca 0.00 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 3h0t s TYR 94 Cb 0.00 0.74 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 3h0t s TYR 94 CO 0.00 -1.18 0.00 -0.40 -2.51 0.00 0.00 175.55 171.46 3h0t n ASP 95 N -1.00 0.00 0.26 -0.18 5.68 -0.77 -4.84 116.55 115.70 3h0t n ASP 95 Ca -0.06 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.39 3h0t n ASP 95 Cb 0.60 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.11 3h0t n ASP 95 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 3h0t h SER 96 N 0.00 0.00 0.00 -1.12 0.87 -2.02 -3.36 113.55 107.92 3h0t h SER 96 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3h0t h SER 96 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3h0t h SER 96 CO 0.00 0.01 -1.47 -1.20 -0.53 0.00 0.00 176.83 173.64 3h0t n SER 97 N -3.11 3.12 -3.87 6.23 7.64 -1.26 -5.07 113.62 117.30 3h0t n SER 97 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 3h0t n SER 97 Cb 0.38 0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 64.42 3h0t n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3h0t s ASN 98 N -3.58 0.08 -0.14 6.43 -0.87 -1.26 -5.13 114.94 110.47 3h0t s ASN 98 Ca -0.03 -0.43 -0.16 0.00 -1.57 0.00 0.00 52.86 50.66 3h0t s ASN 98 Cb 0.03 0.28 -0.04 0.00 -0.02 0.00 0.00 41.25 41.50 3h0t s ASN 98 CO 0.32 -0.56 0.40 -0.69 -2.57 0.00 0.00 177.10 174.01 3h0t s VAL 99 N -2.67 5.24 -0.09 1.60 1.01 -1.26 -1.85 120.40 122.37 3h0t s VAL 99 Ca -0.04 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.75 3h0t s VAL 99 Cb -0.01 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3h0t s VAL 99 CO -0.05 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.52 3h0t s VAL 100 N 0.59 1.73 0.13 2.92 1.01 -0.41 -4.97 120.40 121.41 3h0t s VAL 100 Ca 0.22 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3h0t s VAL 100 Cb -0.14 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 3h0t s VAL 100 CO 0.08 0.49 0.41 -0.36 0.00 0.00 0.00 175.10 175.71 3h0t s PHE 101 N 0.55 3.50 1.03 5.22 0.40 -1.26 -0.66 117.98 126.76 3h0t s PHE 101 Ca -0.15 0.68 -0.13 0.00 -0.60 0.00 0.00 56.93 56.73 3h0t s PHE 101 Cb -0.17 -2.10 0.21 0.00 0.51 0.00 0.00 43.02 41.47 3h0t s PHE 101 CO 0.05 0.44 1.09 0.20 0.70 0.00 0.00 175.22 177.70 3h0t s GLY 102 N -2.19 1.56 0.06 4.36 0.00 0.92 -4.56 107.32 107.47 3h0t s GLY 102 Ca 0.39 -0.45 0.26 0.00 0.00 0.00 0.00 44.72 44.92 3h0t s GLY 102 CO 0.22 0.20 1.60 0.61 0.00 0.00 0.00 173.10 175.73 3h0t n GLY 103 N -1.04 -1.44 0.00 0.20 0.00 -1.24 -4.72 105.19 96.94 3h0t n GLY 103 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3h0t n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0t n GLY 104 N 1.43 2.13 2.80 -0.02 0.00 -1.26 -5.05 105.19 105.22 3h0t n GLY 104 Ca 0.05 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 3h0t n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h0t s THR 105 N -2.31 0.52 -0.21 2.61 2.01 -0.24 -4.55 115.64 113.47 3h0t s THR 105 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 3h0t s THR 105 Cb 0.00 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 3h0t s THR 105 CO 0.00 0.28 1.17 -0.75 -0.69 0.00 0.00 174.62 174.63 3h0t s LYS 106 N 1.90 4.21 -0.28 4.92 2.20 -0.61 -1.01 119.74 131.07 3h0t s LYS 106 Ca 0.05 1.48 -0.10 0.00 -0.36 0.00 0.00 55.97 57.03 3h0t s LYS 106 Cb -0.12 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 3h0t s LYS 106 CO -0.06 -0.72 0.16 -1.17 -0.36 0.00 0.00 175.35 173.20 3h0t s LEU 107 N 3.46 3.94 -0.09 5.43 2.96 -0.21 -1.50 118.68 132.66 3h0t s LEU 107 Ca 0.50 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3h0t s LEU 107 Cb -0.18 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3h0t s LEU 107 CO 0.12 -0.07 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.17 3h0t s THR 108 N 1.71 4.12 -0.36 3.68 2.01 -0.83 -2.65 115.64 123.32 3h0t s THR 108 Ca 0.07 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 3h0t s THR 108 Cb -0.16 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.66 3h0t s THR 108 CO 0.09 0.58 0.14 -0.69 -0.69 0.00 0.00 174.62 174.06 3h0t s VAL 109 N -0.64 4.01 -0.12 3.82 1.01 -1.26 -2.29 120.40 124.93 3h0t s VAL 109 Ca 0.10 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 3h0t s VAL 109 Cb -0.12 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 3h0t s VAL 109 CO 0.02 -0.23 2.03 -0.76 0.00 0.00 0.00 175.10 176.16 3h0t s LEU 110 N 1.44 3.90 0.00 3.92 1.43 -0.48 -4.83 118.68 124.05 3h0t s LEU 110 Ca -0.00 2.15 0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3h0t s LEU 110 Cb -0.20 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.53 3h0t s LEU 110 CO 0.04 -1.50 0.76 0.61 0.23 0.00 0.00 176.35 176.48 3h0t n GLY 111 N 5.12 -0.14 3.80 -3.19 0.00 -1.26 -4.53 105.19 104.98 3h0t n GLY 111 Ca 0.24 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3h0t n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h0t s GLN 112 N -1.40 1.54 0.52 1.61 -2.07 -1.26 -5.14 119.66 113.46 3h0t s GLN 112 Ca 0.11 -0.84 -0.23 0.00 -1.82 0.00 0.00 55.36 52.59 3h0t s GLN 112 Cb 0.10 0.54 -0.06 0.00 -1.09 0.00 0.00 33.01 32.49 3h0t s GLN 112 CO 0.26 -0.71 1.35 -2.30 -1.32 0.00 0.00 175.29 172.57 3h0t n PRO 113 N -0.46 1.79 -2.22 9.60 -0.02 -1.26 -4.97 135.00 137.47 3h0t n PRO 113 Ca -0.05 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 3h0t n PRO 113 Cb 0.60 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3h0t n PRO 113 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h0t s LYS 114 N -2.73 3.67 -0.10 -0.52 1.02 -1.26 -4.88 119.74 114.94 3h0t s LYS 114 Ca 0.69 1.80 -0.05 0.00 0.02 0.00 0.00 55.97 58.42 3h0t s LYS 114 Cb -0.43 -2.36 0.05 0.00 -0.52 0.00 0.00 37.83 34.56 3h0t s LYS 114 CO 0.52 -0.63 0.24 0.00 -0.92 0.00 0.00 175.35 174.56 3h0t s ALA 115 N -1.54 -0.54 0.55 5.17 0.00 0.70 -4.96 121.76 121.14 3h0t s ALA 115 Ca 0.65 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 3h0t s ALA 115 Cb -0.29 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3h0t s ALA 115 CO 0.35 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.97 3h0t s ALA 116 N 1.39 2.71 0.44 0.00 0.00 -1.26 -1.23 121.76 123.80 3h0t s ALA 116 Ca -0.08 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 3h0t s ALA 116 Cb -0.11 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 3h0t s ALA 116 CO -0.08 -0.73 1.20 -1.25 0.00 0.00 0.00 175.76 174.90 3h0t s PRO 117 N -3.42 3.86 0.14 0.00 0.04 -1.26 -4.59 135.00 129.77 3h0t s PRO 117 Ca 0.70 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 63.35 3h0t s PRO 117 Cb -0.21 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 3h0t s PRO 117 CO 0.28 -0.50 0.87 -1.12 0.04 0.00 0.00 177.00 176.56 3h0t s SER 118 N -1.16 7.44 -0.06 6.66 0.01 0.51 -4.87 113.70 122.24 3h0t s SER 118 Ca 0.61 1.72 0.04 0.00 1.31 0.00 0.00 55.95 59.62 3h0t s SER 118 Cb -0.31 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.37 3h0t s SER 118 CO 0.39 0.08 -0.16 -0.69 0.41 0.00 0.00 173.24 173.26 3h0t s VAL 119 N -0.58 1.40 -0.07 3.43 1.01 -1.26 -0.33 120.40 124.00 3h0t s VAL 119 Ca 0.41 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h0t s VAL 119 Cb -0.23 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3h0t s VAL 119 CO 0.28 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 174.79 3h0t s THR 120 N 0.28 1.08 -0.28 3.92 2.01 -0.22 -4.99 115.64 117.45 3h0t s THR 120 Ca -0.09 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 3h0t s THR 120 Cb -0.14 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 3h0t s THR 120 CO 0.04 0.35 0.12 -0.22 -0.69 0.00 0.00 174.62 174.21 3h0t s LEU 121 N 0.74 3.79 -0.22 4.42 2.96 -1.26 -0.77 118.68 128.35 3h0t s LEU 121 Ca -0.13 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 3h0t s LEU 121 Cb -0.15 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3h0t s LEU 121 CO 0.03 -0.11 0.17 -0.36 -1.32 0.00 0.00 176.35 174.76 3h0t s PHE 122 N 1.63 3.36 0.95 5.38 0.08 -0.01 -4.98 117.98 124.40 3h0t s PHE 122 Ca 0.06 0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.30 3h0t s PHE 122 Cb -0.16 -2.25 0.16 0.00 -0.57 0.00 0.00 43.02 40.20 3h0t s PHE 122 CO 0.06 0.16 1.09 -1.25 -0.10 0.00 0.00 175.22 175.17 3h0t s PRO 123 N 0.78 0.81 0.34 0.24 0.04 -1.26 -2.09 135.00 133.85 3h0t s PRO 123 Ca 0.09 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.65 3h0t s PRO 123 Cb -0.13 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 3h0t s PRO 123 CO 0.02 -2.55 1.27 -2.30 0.04 0.00 0.00 177.00 173.49 3h0t n PRO 124 N -4.09 2.08 -2.29 0.56 -0.01 -1.23 -4.79 135.00 125.23 3h0t n PRO 124 Ca 0.06 0.73 -0.34 0.00 -0.01 0.00 0.00 63.50 63.94 3h0t n PRO 124 Cb 0.55 -2.30 -0.00 0.00 -0.01 0.00 0.00 33.50 31.73 3h0t n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3h0t s SER 125 N -0.33 5.85 0.32 2.55 1.04 -1.26 -4.94 113.70 116.92 3h0t s SER 125 Ca 0.56 2.07 0.02 0.00 0.48 0.00 0.00 55.95 59.08 3h0t s SER 125 Cb -0.57 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 63.56 3h0t s SER 125 CO 0.62 -1.13 1.92 -1.28 0.98 0.00 0.00 173.24 174.36 3h0t h SER 126 N 1.16 0.85 -0.69 7.02 0.87 -1.99 -2.42 113.55 118.35 3h0t h SER 126 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3h0t h SER 126 Cb 1.25 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 3h0t h SER 126 CO 0.57 0.55 0.45 -0.33 -0.53 0.00 0.00 176.83 177.54 3h0t h GLU 127 N 0.96 0.92 -0.60 2.24 5.08 -1.99 -2.45 114.58 118.74 3h0t h GLU 127 Ca 0.37 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3h0t h GLU 127 Cb 0.21 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3h0t h GLU 127 CO -0.13 0.62 0.12 1.49 -1.00 0.00 0.00 179.01 180.10 3h0t h GLU 128 N 0.94 0.95 -0.21 2.33 4.81 -1.75 -2.39 114.58 119.24 3h0t h GLU 128 Ca 0.25 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3h0t h GLU 128 Cb -0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3h0t h GLU 128 CO -0.05 0.86 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.89 3h0t h LEU 129 N 0.90 0.33 -1.51 1.64 3.38 -1.22 -0.45 115.31 118.38 3h0t h LEU 129 Ca 0.19 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3h0t h LEU 129 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3h0t h LEU 129 CO 0.00 0.50 -0.24 1.56 0.09 0.00 0.00 178.44 180.35 3h0t h GLN 130 N 0.33 0.00 -0.02 1.13 1.08 -0.97 0.19 115.11 116.86 3h0t h GLN 130 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3h0t h GLN 130 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3h0t h GLN 130 CO 0.02 0.24 0.00 0.00 -0.95 0.00 0.00 178.83 178.15 3h0t n ALA 131 N -2.49 2.56 -2.17 3.87 0.00 -0.21 -4.92 120.51 117.15 3h0t n ALA 131 Ca -0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 3h0t n ALA 131 Cb 0.30 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3h0t n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h0t n ASN 132 N -0.60 -4.41 -4.30 0.00 5.15 0.05 -5.03 115.26 106.12 3h0t n ASN 132 Ca 0.09 0.03 -0.18 0.00 -0.60 0.00 0.00 54.58 53.92 3h0t n ASN 132 Cb 0.06 -3.52 -0.10 0.00 -0.53 0.00 0.00 39.78 35.68 3h0t n ASN 132 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3h0t s LYS 133 N -4.54 1.51 -0.25 1.20 -0.14 -1.01 -4.46 119.74 112.06 3h0t s LYS 133 Ca 0.00 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 52.75 3h0t s LYS 133 Cb 0.00 -0.40 0.14 0.00 -1.68 0.00 0.00 37.83 35.90 3h0t s LYS 133 CO 0.00 -0.30 0.42 0.00 -0.76 0.00 0.00 175.35 174.71 3h0t s ALA 134 N -3.61 -1.32 -0.18 5.17 0.00 -0.17 -2.86 121.76 118.79 3h0t s ALA 134 Ca 0.37 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 3h0t s ALA 134 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3h0t s ALA 134 CO 0.15 -1.26 -0.13 0.99 0.00 0.00 0.00 175.76 175.50 3h0t s THR 135 N 2.61 2.77 -0.09 0.00 2.01 -1.26 -0.87 115.64 120.81 3h0t s THR 135 Ca 0.14 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 3h0t s THR 135 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 3h0t s THR 135 CO -0.17 0.49 0.60 -0.76 -0.69 0.00 0.00 174.62 174.10 3h0t s LEU 136 N 1.08 4.30 -0.21 4.42 1.43 0.22 -3.50 118.68 126.41 3h0t s LEU 136 Ca -0.00 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3h0t s LEU 136 Cb -0.15 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 3h0t s LEU 136 CO -0.03 -0.07 -0.07 -0.69 0.23 0.00 0.00 176.35 175.71 3h0t s VAL 137 N 0.75 3.16 -0.39 -1.59 1.01 -0.89 -1.55 120.40 120.91 3h0t s VAL 137 Ca 0.32 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3h0t s VAL 137 Cb -0.17 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.83 3h0t s VAL 137 CO 0.15 0.45 0.23 0.00 0.00 0.00 0.00 175.10 175.92 3h0t s LEU 139 N 1.53 4.19 -0.23 0.00 2.96 0.05 -1.08 118.68 126.10 3h0t s LEU 139 Ca 0.02 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 3h0t s LEU 139 Cb -0.20 -2.58 0.05 0.00 0.50 0.00 0.00 46.19 43.96 3h0t s LEU 139 CO 0.06 -0.06 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 3h0t s ILE 140 N 1.13 2.00 0.11 6.68 1.01 -0.33 -1.06 121.20 130.75 3h0t s ILE 140 Ca 0.21 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.52 3h0t s ILE 140 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3h0t s ILE 140 CO 0.08 0.09 -0.09 -0.94 0.00 0.00 0.00 174.94 174.09 3h0t s SER 141 N 1.21 1.45 -1.38 3.58 1.04 0.56 -0.43 113.70 119.74 3h0t s SER 141 Ca -0.05 -0.94 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 3h0t s SER 141 Cb -0.18 0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.99 3h0t s SER 141 CO -0.07 -0.35 1.13 -0.67 0.98 0.00 0.00 173.24 174.26 3h0t n ASP 142 N 0.11 -5.73 -4.83 7.02 2.03 -0.47 -0.36 116.55 114.33 3h0t n ASP 142 Ca -0.13 -0.59 -0.22 0.00 0.52 0.00 0.00 54.79 54.37 3h0t n ASP 142 Cb 0.60 -4.83 -0.04 0.00 -0.72 0.00 0.00 41.12 36.13 3h0t n ASP 142 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3h0t s PHE 143 N -3.33 2.98 -0.29 -0.67 -0.71 -0.72 -4.67 117.98 110.57 3h0t s PHE 143 Ca 0.55 -0.22 -0.15 0.00 -1.04 0.00 0.00 56.93 56.07 3h0t s PHE 143 Cb -0.25 -1.61 0.14 0.00 -1.21 0.00 0.00 43.02 40.09 3h0t s PHE 143 CO 0.75 0.34 0.87 -0.47 -1.34 0.00 0.00 175.22 175.37 3h0t s TYR 144 N -2.24 -0.84 0.99 3.49 5.04 -0.37 -0.89 117.35 122.54 3h0t s TYR 144 Ca 0.37 1.56 -0.12 0.00 -2.44 0.00 0.00 57.07 56.44 3h0t s TYR 144 Cb -0.07 0.50 0.19 0.00 0.35 0.00 0.00 41.96 42.93 3h0t s TYR 144 CO 0.26 -0.42 1.08 -2.14 -1.34 0.00 0.00 175.55 172.99 3h0t s PRO 145 N 2.00 0.45 -1.28 4.97 0.02 -1.26 -0.21 135.00 139.69 3h0t s PRO 145 Ca -0.07 0.79 -0.06 0.00 0.02 0.00 0.00 61.00 61.68 3h0t s PRO 145 Cb -0.06 -1.72 0.16 0.00 0.02 0.00 0.00 34.50 32.90 3h0t s PRO 145 CO -0.17 -2.78 2.19 0.41 -0.33 0.00 0.00 177.00 176.31 3h0t n GLY 146 N -0.55 5.20 2.70 0.52 0.00 -1.26 -4.80 105.19 106.99 3h0t n GLY 146 Ca 0.06 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 3h0t n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0t s ALA 147 N -1.16 0.31 0.24 4.61 0.00 -1.26 -4.74 121.76 119.77 3h0t s ALA 147 Ca 0.49 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3h0t s ALA 147 Cb 0.16 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3h0t s ALA 147 CO -0.07 -0.46 0.04 0.14 0.00 0.00 0.00 175.76 175.41 3h0t s VAL 148 N 2.07 0.85 -0.11 0.00 -7.23 -1.26 -4.58 120.40 110.14 3h0t s VAL 148 Ca 0.04 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 3h0t s VAL 148 Cb -0.12 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3h0t s VAL 148 CO -0.03 -0.20 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.45 3h0t s THR 149 N -3.54 1.89 -0.04 5.32 2.01 -0.33 -4.96 115.64 115.98 3h0t s THR 149 Ca 0.32 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3h0t s THR 149 Cb 0.07 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 3h0t s THR 149 CO 0.10 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 3h0t s VAL 150 N 0.56 2.73 0.03 3.82 1.01 -1.26 -1.20 120.40 126.10 3h0t s VAL 150 Ca -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 3h0t s VAL 150 Cb -0.17 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3h0t s VAL 150 CO 0.05 0.59 0.01 0.00 0.00 0.00 0.00 175.10 175.74 3h0t s ALA 151 N -0.68 0.18 0.10 5.51 0.00 -0.61 -5.01 121.76 121.24 3h0t s ALA 151 Ca 0.11 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.39 3h0t s ALA 151 Cb -0.10 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3h0t s ALA 151 CO 0.00 -0.27 -0.22 -1.58 0.00 0.00 0.00 175.76 173.68 3h0t s TRP 152 N -2.56 1.93 0.10 0.00 0.52 -1.26 -0.94 118.94 116.72 3h0t s TRP 152 Ca -0.06 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.72 3h0t s TRP 152 Cb -0.02 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 3h0t s TRP 152 CO -0.05 0.22 -0.15 0.15 0.02 0.00 0.00 176.95 177.14 3h0t s LYS 153 N -1.84 0.97 -0.15 4.98 1.02 -0.34 -1.35 119.74 123.04 3h0t s LYS 153 Ca 0.08 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.95 3h0t s LYS 153 Cb -0.10 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 3h0t s LYS 153 CO 0.04 0.20 -0.18 0.00 -0.92 0.00 0.00 175.35 174.49 3h0t s ALA 154 N -1.73 2.39 0.00 5.17 0.00 0.24 -0.82 121.76 127.01 3h0t s ALA 154 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3h0t s ALA 154 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3h0t s ALA 154 CO 0.03 -0.05 0.00 -0.25 0.00 0.00 0.00 175.76 175.49 3h0t n ASP 155 N 4.10 0.00 -0.97 0.00 8.00 0.54 -0.86 116.55 127.35 3h0t n ASP 155 Ca -0.19 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.40 3h0t n ASP 155 Cb 0.52 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.81 3h0t n ASP 155 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3h0t n SER 156 N 6.01 3.23 -4.81 -2.24 7.64 -1.26 -4.79 113.62 117.40 3h0t n SER 156 Ca 0.00 -1.93 -0.35 0.00 1.01 0.00 0.00 58.87 57.60 3h0t n SER 156 Cb 0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 3h0t n SER 156 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h0t s SER 157 N -1.19 5.94 0.40 6.43 0.01 -0.04 -5.04 113.70 120.20 3h0t s SER 157 Ca 0.33 0.29 -0.27 0.00 1.31 0.00 0.00 55.95 57.62 3h0t s SER 157 Cb 0.19 -1.81 -0.10 0.00 0.21 0.00 0.00 66.02 64.50 3h0t s SER 157 CO 0.26 0.35 1.40 -2.65 0.41 0.00 0.00 173.24 173.00 3h0t n PRO 158 N 1.65 2.33 -4.67 12.44 -0.02 -1.26 -0.60 135.00 144.88 3h0t n PRO 158 Ca -0.17 0.82 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 3h0t n PRO 158 Cb 0.54 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.30 3h0t n PRO 158 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h0t s VAL 159 N -1.15 1.36 -0.09 -1.45 1.01 -0.45 -4.72 120.40 114.90 3h0t s VAL 159 Ca 0.57 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3h0t s VAL 159 Cb -0.49 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3h0t s VAL 159 CO 0.61 0.41 -0.06 0.29 0.00 0.00 0.00 175.10 176.34 3h0t n LYS 160 N 3.85 0.74 -1.93 2.72 4.76 -1.26 -4.15 118.16 122.89 3h0t n LYS 160 Ca -0.21 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.86 3h0t n LYS 160 Cb 0.52 -1.19 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 3h0t n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h0t s ALA 161 N -2.19 3.61 0.00 7.82 0.00 -1.26 -3.51 121.76 126.23 3h0t s ALA 161 Ca -0.11 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3h0t s ALA 161 Cb 0.03 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3h0t s ALA 161 CO 0.24 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3h0t n GLY 162 N 1.41 0.60 3.78 0.00 0.00 -1.26 -4.83 105.19 104.89 3h0t n GLY 162 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3h0t n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0t s VAL 163 N -2.18 5.38 0.01 1.61 1.01 -1.23 -0.45 120.40 124.55 3h0t s VAL 163 Ca 0.00 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3h0t s VAL 163 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3h0t s VAL 163 CO 0.00 0.49 -0.08 -1.61 0.00 0.00 0.00 175.10 173.89 3h0t s GLU 164 N -0.10 0.63 -0.02 2.72 0.41 -0.80 -4.98 118.70 116.57 3h0t s GLU 164 Ca 0.13 -0.38 0.01 0.00 -0.41 0.00 0.00 54.97 54.32 3h0t s GLU 164 Cb -0.12 -0.59 0.01 0.00 -1.78 0.00 0.00 34.13 31.65 3h0t s GLU 164 CO 0.02 0.15 -0.03 0.99 -0.49 0.00 0.00 175.26 175.90 3h0t s THR 165 N -0.40 0.34 0.41 3.63 2.01 -1.26 -0.31 115.64 120.06 3h0t s THR 165 Ca 0.01 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3h0t s THR 165 Cb -0.04 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3h0t s THR 165 CO -0.00 0.13 0.74 0.42 -0.69 0.00 0.00 174.62 175.22 3h0t s THR 166 N 0.32 4.87 0.14 -0.82 -4.23 -0.21 -4.99 115.64 110.72 3h0t s THR 166 Ca -0.03 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 3h0t s THR 166 Cb -0.07 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 3h0t s THR 166 CO -0.00 -0.61 1.05 -0.89 -0.54 0.00 0.00 174.62 173.63 3h0t s THR 167 N -2.46 4.13 0.45 3.99 2.01 -1.26 -4.32 115.64 118.18 3h0t s THR 167 Ca 0.49 1.78 -0.24 0.00 0.31 0.00 0.00 61.69 64.03 3h0t s THR 167 Cb -0.10 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 3h0t s THR 167 CO 0.36 0.28 1.15 -2.65 -0.69 0.00 0.00 174.62 173.07 3h0t n PRO 168 N 2.65 1.58 -3.99 4.92 -0.02 -1.26 -4.87 135.00 134.02 3h0t n PRO 168 Ca 0.03 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 3h0t n PRO 168 Cb 0.47 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3h0t n PRO 168 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h0t s SER 169 N -0.72 0.04 0.28 2.55 1.04 0.19 -4.93 113.70 112.15 3h0t s SER 169 Ca 0.64 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 3h0t s SER 169 Cb -0.51 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 3h0t s SER 169 CO 0.55 -0.92 1.02 -0.54 0.98 0.00 0.00 173.24 174.34 3h0t s LYS 170 N -3.99 4.69 0.64 4.02 1.02 -1.26 -1.10 119.74 123.76 3h0t s LYS 170 Ca 0.20 1.63 -0.02 0.00 0.02 0.00 0.00 55.97 57.80 3h0t s LYS 170 Cb 0.03 -3.15 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3h0t s LYS 170 CO 0.02 0.31 0.91 -0.65 -0.92 0.00 0.00 175.35 175.02 3h0t s GLN 171 N -1.45 2.21 0.46 1.68 -0.21 0.12 -4.87 119.66 117.61 3h0t s GLN 171 Ca 0.44 -0.67 0.22 0.00 0.02 0.00 0.00 55.36 55.37 3h0t s GLN 171 Cb -0.28 -2.34 1.22 0.00 1.00 0.00 0.00 33.01 32.60 3h0t s GLN 171 CO 0.36 -1.07 1.89 0.77 -2.12 0.00 0.00 175.29 175.12 3h0t h SER 172 N -0.30 0.25 -0.33 5.90 0.02 -1.96 -1.15 113.55 115.98 3h0t h SER 172 Ca -0.42 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3h0t h SER 172 Cb 1.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3h0t h SER 172 CO 0.52 0.11 0.00 -0.46 -1.14 0.00 0.00 176.83 175.86 3h0t n ASN 173 N -4.43 1.85 0.00 3.07 6.94 -1.26 -4.92 115.26 116.51 3h0t n ASN 173 Ca 0.17 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 3h0t n ASN 173 Cb 0.72 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 3h0t n ASN 173 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3h0t n ASN 174 N 0.50 0.00 -4.41 0.53 4.13 -0.43 -5.03 115.26 110.54 3h0t n ASN 174 Ca 0.12 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.11 3h0t n ASN 174 Cb 0.30 -0.23 0.15 0.00 -1.54 0.00 0.00 39.78 38.45 3h0t n ASN 174 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3h0t s LYS 175 N -0.08 1.18 0.16 3.52 1.02 -1.26 -4.83 119.74 119.44 3h0t s LYS 175 Ca 0.00 -0.65 0.10 0.00 0.02 0.00 0.00 55.97 55.45 3h0t s LYS 175 Cb 0.00 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 3h0t s LYS 175 CO 0.00 -1.95 -0.20 0.71 -0.92 0.00 0.00 175.35 172.99 3h0t s TYR 176 N -3.56 2.43 0.18 3.18 1.51 -0.07 0.15 117.35 121.17 3h0t s TYR 176 Ca 0.70 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 56.52 3h0t s TYR 176 Cb -0.05 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3h0t s TYR 176 CO 0.49 0.44 -0.16 0.00 -1.11 0.00 0.00 175.55 175.21 3h0t s ALA 177 N -1.40 1.97 0.15 3.71 0.00 -0.26 -1.37 121.76 124.57 3h0t s ALA 177 Ca 0.19 -1.57 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 3h0t s ALA 177 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3h0t s ALA 177 CO 0.10 0.13 0.24 0.00 0.00 0.00 0.00 175.76 176.23 3h0t s ALA 178 N -2.55 0.10 0.05 0.00 0.00 0.43 -0.63 121.76 119.16 3h0t s ALA 178 Ca 0.19 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3h0t s ALA 178 Cb -0.03 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3h0t s ALA 178 CO 0.06 -0.60 -0.07 -1.54 0.00 0.00 0.00 175.76 173.61 3h0t s SER 179 N -2.97 0.85 0.05 0.00 1.04 -1.26 -1.18 113.70 110.23 3h0t s SER 179 Ca 0.17 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 3h0t s SER 179 Cb 0.04 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3h0t s SER 179 CO -0.01 -0.29 0.18 -0.55 0.98 0.00 0.00 173.24 173.54 3h0t s SER 180 N -1.97 0.07 -0.01 7.02 0.15 -0.24 -1.04 113.70 117.67 3h0t s SER 180 Ca -0.05 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.18 3h0t s SER 180 Cb -0.06 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 3h0t s SER 180 CO -0.01 -0.57 -0.02 -0.31 1.20 0.00 0.00 173.24 173.53 3h0t s TYR 181 N -2.74 0.25 -0.28 3.44 1.51 0.57 0.08 117.35 120.19 3h0t s TYR 181 Ca -0.04 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 3h0t s TYR 181 Cb -0.00 -0.23 0.06 0.00 -0.11 0.00 0.00 41.96 41.68 3h0t s TYR 181 CO -0.05 -0.04 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.10 3h0t s LEU 182 N 0.29 3.68 -0.19 -1.29 2.96 -0.59 -1.90 118.68 121.63 3h0t s LEU 182 Ca -0.03 -1.49 -0.18 0.00 -0.22 0.00 0.00 54.13 52.21 3h0t s LEU 182 Cb -0.05 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3h0t s LEU 182 CO -0.01 -0.22 0.50 -0.44 -1.32 0.00 0.00 176.35 174.86 3h0t s SER 183 N 1.09 6.55 0.20 3.68 0.01 0.41 -0.61 113.70 125.04 3h0t s SER 183 Ca -0.06 0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.91 3h0t s SER 183 Cb -0.20 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 3h0t s SER 183 CO -0.05 -0.15 -0.05 -0.76 0.41 0.00 0.00 173.24 172.64 3h0t s LEU 184 N 1.52 2.35 0.48 2.44 1.43 -0.05 -4.69 118.68 122.16 3h0t s LEU 184 Ca 0.23 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 3h0t s LEU 184 Cb -0.15 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.64 3h0t s LEU 184 CO 0.09 -0.41 0.90 0.42 0.23 0.00 0.00 176.35 177.58 3h0t s THR 185 N -3.33 4.65 0.54 5.49 -4.23 -1.26 -1.00 115.64 116.51 3h0t s THR 185 Ca 0.24 0.93 0.24 0.00 -1.18 0.00 0.00 61.69 61.93 3h0t s THR 185 Cb 0.04 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.50 3h0t s THR 185 CO 0.06 -0.66 2.05 -0.65 -0.54 0.00 0.00 174.62 174.88 3h0t h PRO 186 N 0.95 0.00 -0.27 3.99 0.11 -1.81 -0.39 132.00 134.57 3h0t h PRO 186 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3h0t h PRO 186 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3h0t h PRO 186 CO 0.62 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 179.24 3h0t h GLU 187 N 0.00 0.56 -0.28 1.05 3.07 -1.96 -0.64 114.58 116.37 3h0t h GLU 187 Ca 0.16 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 3h0t h GLU 187 Cb 0.70 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 3h0t h GLU 187 CO -0.00 0.79 0.09 1.96 -1.40 0.00 0.00 179.01 180.45 3h0t h GLN 188 N 0.30 0.21 -0.56 2.33 4.20 -1.77 0.18 115.11 120.01 3h0t h GLN 188 Ca 0.06 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3h0t h GLN 188 Cb 0.61 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3h0t h GLN 188 CO 0.04 0.14 0.29 2.35 -0.67 0.00 0.00 178.83 180.98 3h0t h TRP 189 N 0.22 0.53 0.00 2.96 2.91 -0.83 -2.61 115.95 119.13 3h0t h TRP 189 Ca 0.13 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 3h0t h TRP 189 Cb 0.10 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3h0t h TRP 189 CO -0.14 0.26 -0.08 0.87 -1.03 0.00 0.00 178.44 178.32 3h0t h LYS 190 N 0.56 0.00 0.00 2.65 1.57 -0.95 -3.28 116.57 117.12 3h0t h LYS 190 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3h0t h LYS 190 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3h0t h LYS 190 CO -0.16 0.08 0.00 0.43 -0.57 0.00 0.00 179.45 179.23 3h0t n SER 191 N -3.14 0.37 -4.37 0.86 7.64 0.60 -4.88 113.62 110.71 3h0t n SER 191 Ca 0.03 0.61 -0.19 0.00 1.01 0.00 0.00 58.87 60.33 3h0t n SER 191 Cb 0.50 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 3h0t n SER 191 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3h0t s HIS 192 N -3.23 1.81 -0.14 1.43 3.76 -1.24 -5.06 115.29 112.63 3h0t s HIS 192 Ca 0.03 -0.54 0.16 0.00 -0.15 0.00 0.00 55.06 54.56 3h0t s HIS 192 Cb 0.07 -0.84 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 3h0t s HIS 192 CO 0.26 0.41 1.11 0.00 -0.85 0.00 0.00 174.74 175.67 3h0t h ARG 193 N 2.50 0.00 -2.93 1.40 -0.00 -1.90 -3.42 114.38 110.03 3h0t h ARG 193 Ca -0.38 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.12 3h0t h ARG 193 Cb 1.23 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 31.10 3h0t h ARG 193 CO 0.62 0.38 0.25 -1.54 0.00 0.00 0.00 179.97 179.67 3h0t s SER 194 N -6.07 -0.44 0.03 7.04 1.04 -1.26 -4.19 113.70 109.85 3h0t s SER 194 Ca 0.00 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.24 3h0t s SER 194 Cb 0.08 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3h0t s SER 194 CO 0.78 -1.07 -0.09 -0.31 0.98 0.00 0.00 173.24 173.53 3h0t s TYR 195 N -3.75 0.81 0.01 5.02 1.51 -0.76 -0.34 117.35 119.85 3h0t s TYR 195 Ca 0.05 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3h0t s TYR 195 Cb -0.03 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 3h0t s TYR 195 CO -0.05 -0.02 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.14 3h0t s SER 196 N -1.10 1.19 -0.22 2.29 0.01 0.00 -1.04 113.70 114.84 3h0t s SER 196 Ca -0.03 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 3h0t s SER 196 Cb -0.07 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3h0t s SER 196 CO 0.01 0.05 -0.01 0.00 0.41 0.00 0.00 173.24 173.69 3h0t s GLN 198 N 1.35 3.41 -0.06 0.00 0.74 -0.12 -1.08 119.66 123.89 3h0t s GLN 198 Ca 0.04 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.86 3h0t s GLN 198 Cb -0.15 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.25 3h0t s GLN 198 CO -0.00 0.29 -0.08 0.08 -0.55 0.00 0.00 175.29 175.03 3h0t s VAL 199 N 0.19 0.82 -0.11 1.34 1.01 0.17 -1.58 120.40 122.26 3h0t s VAL 199 Ca -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3h0t s VAL 199 Cb -0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3h0t s VAL 199 CO 0.04 0.30 -0.06 -0.89 0.00 0.00 0.00 175.10 174.49 3h0t s THR 200 N 0.98 3.77 -0.11 3.92 2.01 -0.34 -1.29 115.64 124.57 3h0t s THR 200 Ca -0.10 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3h0t s THR 200 Cb -0.15 -2.59 0.05 0.00 0.01 0.00 0.00 72.50 69.83 3h0t s THR 200 CO 0.00 0.55 0.25 -2.28 -0.69 0.00 0.00 174.62 172.45 3h0t s HIS 201 N -0.29 -0.36 -1.51 4.92 2.46 -0.37 -1.19 115.29 118.96 3h0t s HIS 201 Ca 0.04 0.84 -0.13 0.00 0.47 0.00 0.00 55.06 56.29 3h0t s HIS 201 Cb -0.13 0.00 0.08 0.00 -0.13 0.00 0.00 32.58 32.40 3h0t s HIS 201 CO 0.02 -0.28 0.92 0.39 -2.47 0.00 0.00 174.74 173.33 3h0t n GLU 202 N 4.69 -5.38 -1.19 2.88 -0.58 -1.26 -1.96 120.64 117.84 3h0t n GLU 202 Ca -0.17 0.61 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 3h0t n GLU 202 Cb 0.52 -5.50 -0.03 0.00 -0.57 0.00 0.00 31.44 25.86 3h0t n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h0t n GLY 203 N -1.64 0.86 3.32 0.62 0.00 -1.26 -5.04 105.19 102.05 3h0t n GLY 203 Ca 0.03 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 3h0t n GLY 203 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0t s SER 204 N -2.62 1.59 0.07 1.61 1.04 -0.83 -5.16 113.70 109.40 3h0t s SER 204 Ca 0.00 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.22 3h0t s SER 204 Cb 0.00 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3h0t s SER 204 CO 0.00 -0.59 -0.16 -0.89 0.98 0.00 0.00 173.24 172.58 3h0t s THR 205 N -3.54 1.30 -0.01 2.02 2.01 -1.26 -1.24 115.64 114.93 3h0t s THR 205 Ca 0.31 -1.26 0.06 0.00 0.31 0.00 0.00 61.69 61.11 3h0t s THR 205 Cb 0.07 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 3h0t s THR 205 CO 0.10 -0.08 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.07 3h0t s VAL 206 N -1.08 1.52 -0.04 3.82 1.01 -0.41 -4.98 120.40 120.24 3h0t s VAL 206 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3h0t s VAL 206 Cb -0.09 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3h0t s VAL 206 CO 0.02 0.39 -0.09 -0.70 0.00 0.00 0.00 175.10 174.72 3h0t s GLU 207 N -0.56 1.12 -0.07 2.72 2.12 -1.26 -0.65 118.70 122.11 3h0t s GLU 207 Ca 0.07 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.12 3h0t s GLU 207 Cb -0.08 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 3h0t s GLU 207 CO -0.00 0.06 -0.11 0.15 -0.54 0.00 0.00 175.26 174.82 3h0t s LYS 208 N 0.44 2.79 -0.06 4.30 -0.14 -0.25 -4.97 119.74 121.85 3h0t s LYS 208 Ca -0.08 -0.63 0.04 0.00 -1.36 0.00 0.00 55.97 53.94 3h0t s LYS 208 Cb -0.12 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 3h0t s LYS 208 CO 0.01 0.56 -0.18 0.99 -0.76 0.00 0.00 175.35 175.97 3h0t s THR 209 N -0.54 1.52 0.21 2.17 2.01 -1.26 -1.03 115.64 118.71 3h0t s THR 209 Ca 0.08 -0.73 0.11 0.00 0.31 0.00 0.00 61.69 61.46 3h0t s THR 209 Cb -0.12 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 3h0t s THR 209 CO 0.02 0.44 -0.23 0.68 -0.69 0.00 0.00 174.62 174.84 3h0t s VAL 210 N 0.30 2.33 -0.01 3.82 -7.23 -0.20 -4.97 120.40 114.44 3h0t s VAL 210 Ca -0.11 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.02 3h0t s VAL 210 Cb -0.15 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 3h0t s VAL 210 CO 0.04 -0.20 -0.22 0.00 -0.31 0.00 0.00 175.10 174.42 3h0t s ALA 211 N -1.90 2.38 0.47 1.32 0.00 -1.26 -1.83 121.76 120.93 3h0t s ALA 211 Ca 0.22 -1.11 0.38 0.00 0.00 0.00 0.00 51.96 51.45 3h0t s ALA 211 Cb -0.07 -0.68 1.95 0.00 0.00 0.00 0.00 23.12 24.32 3h0t s ALA 211 CO 0.11 0.54 2.21 -1.00 0.00 0.00 0.00 175.76 177.63 3h0t h PRO 212 N 5.21 0.00 -1.39 0.00 0.13 -1.82 -2.67 132.00 131.45 3h0t h PRO 212 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 3h0t h PRO 212 Cb 1.14 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 3h0t h PRO 212 CO 0.48 0.02 0.24 0.25 -0.23 0.00 0.00 178.00 178.76 3h0t n THR 213 N -3.22 2.15 -3.40 1.56 -2.24 -1.26 -4.94 114.28 102.93 3h0t n THR 213 Ca -0.02 -0.96 -0.37 0.00 -2.27 0.00 0.00 64.05 60.42 3h0t n THR 213 Cb 0.16 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 3h0t n THR 213 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3h0t s GLU 214 N -1.11 4.28 0.11 -0.78 2.12 -1.01 -4.69 118.70 117.63 3h0t s GLU 214 Ca 0.19 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.81 3h0t s GLU 214 Cb 0.15 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3h0t s GLU 214 CO 0.01 0.14 0.00 0.00 -0.54 0.00 0.00 175.26 174.87