#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjh s THR 16 N 0.00 3.68 0.25 4.28 -1.32 -1.26 -5.01 115.64 116.25 2jjh s THR 16 Ca 0.00 -1.06 -0.06 0.00 -1.21 0.00 0.00 61.69 59.37 2jjh s THR 16 Cb 0.00 -2.71 0.26 0.00 -1.51 0.00 0.00 72.50 68.54 2jjh s THR 16 CO 0.00 0.17 1.66 -0.65 -2.21 0.00 0.00 174.62 173.59 2jjh h PRO 17 N 3.74 0.17 0.00 7.08 0.11 -2.01 0.14 132.00 141.22 2jjh h PRO 17 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jjh h PRO 17 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jjh h PRO 17 CO 0.55 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 2jjh n ASP 18 N -5.26 0.17 -0.38 -2.05 5.75 -1.26 -2.15 116.55 111.36 2jjh n ASP 18 Ca 0.14 0.56 0.07 0.00 -0.01 0.00 0.00 54.79 55.55 2jjh n ASP 18 Cb 0.48 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 2jjh n ASP 18 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2jjh n ARG 19 N -1.70 1.67 -0.19 0.11 1.74 0.46 -4.66 116.66 114.09 2jjh n ARG 19 Ca 0.01 -0.87 -0.00 0.00 -0.77 0.00 0.00 57.85 56.22 2jjh n ARG 19 Cb 0.10 -1.25 0.09 0.00 -1.02 0.00 0.00 32.46 30.38 2jjh n ARG 19 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jjh h VAL 20 N 1.87 0.57 -0.28 1.55 2.07 -1.17 -1.94 116.25 118.93 2jjh h VAL 20 Ca 0.00 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 2jjh h VAL 20 Cb 0.53 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2jjh h VAL 20 CO 0.00 0.03 -0.31 0.45 0.02 0.00 0.00 177.57 177.75 2jjh h HIS 21 N 0.15 0.68 -0.30 1.57 3.86 -1.83 -1.64 115.15 117.64 2jjh h HIS 21 Ca 0.30 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2jjh h HIS 21 Cb 0.46 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2jjh h HIS 21 CO -0.32 0.83 0.05 1.49 0.86 0.00 0.00 177.93 180.84 2jjh h GLU 22 N 0.50 0.50 -0.11 2.45 4.81 -1.77 -1.55 114.58 119.40 2jjh h GLU 22 Ca 0.06 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2jjh h GLU 22 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2jjh h GLU 22 CO 0.06 0.60 -0.02 0.28 -0.73 0.00 0.00 179.01 179.20 2jjh h VAL 23 N 0.32 1.28 -0.17 0.32 2.07 -1.21 -3.02 116.25 115.85 2jjh h VAL 23 Ca 0.09 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2jjh h VAL 23 Cb 0.34 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2jjh h VAL 23 CO 0.01 0.27 0.11 -0.07 0.02 0.00 0.00 177.57 177.90 2jjh h LEU 24 N -0.10 0.18 -1.74 2.57 3.38 -1.37 -2.82 115.31 115.42 2jjh h LEU 24 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jjh h LEU 24 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jjh h LEU 24 CO 0.01 0.13 0.38 1.23 0.09 0.00 0.00 178.44 180.29 2jjh h GLY 25 N 0.22 0.00 1.99 0.83 0.00 -1.18 0.24 103.07 105.17 2jjh h GLY 25 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 2jjh h GLY 25 CO -0.02 0.00 -0.59 3.21 0.00 0.00 0.00 176.54 179.14 2jjh h ARG 26 N 0.00 0.01 0.00 4.80 3.08 -1.37 -3.37 114.38 117.53 2jjh h ARG 26 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2jjh h ARG 26 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2jjh h ARG 26 CO 0.00 0.60 -1.58 0.43 -1.07 0.00 0.00 179.97 178.35 2jjh n SER 27 N -3.84 2.40 -3.88 7.04 7.64 0.75 -5.06 113.62 118.67 2jjh n SER 27 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.77 2jjh n SER 27 Cb 0.59 1.29 -0.08 0.00 -1.01 0.00 0.00 64.21 65.00 2jjh n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jjh s MET 28 N -2.63 0.72 0.15 1.43 0.23 -0.67 -5.12 119.30 113.40 2jjh s MET 28 Ca -0.04 -0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 53.51 2jjh s MET 28 Cb 0.06 0.29 -0.10 0.00 -1.53 0.00 0.00 34.83 33.55 2jjh s MET 28 CO 0.46 -0.21 1.65 -1.17 -2.03 0.00 0.00 175.02 173.72 2jjh s LEU 29 N -2.38 4.37 -0.59 0.18 2.96 -1.26 -4.27 118.68 117.70 2jjh s LEU 29 Ca -0.01 2.66 0.06 0.00 -0.22 0.00 0.00 54.13 56.61 2jjh s LEU 29 Cb 0.01 -3.58 0.31 0.00 0.50 0.00 0.00 46.19 43.43 2jjh s LEU 29 CO -0.07 -0.89 0.88 0.55 -1.32 0.00 0.00 176.35 175.50 2jjh n VAL 30 N 4.23 2.72 -0.44 1.68 3.14 -1.26 -4.86 118.33 123.54 2jjh n VAL 30 Ca 0.15 -5.43 0.10 0.00 -2.96 0.00 0.00 64.34 56.21 2jjh n VAL 30 Cb 0.38 -1.56 0.34 0.00 -1.06 0.00 0.00 33.84 31.94 2jjh n VAL 30 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2jjh n ASP 31 N 0.10 4.31 -3.17 6.55 5.75 -1.26 -4.95 116.55 123.88 2jjh n ASP 31 Ca 0.30 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2jjh n ASP 31 Cb 0.41 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2jjh n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jjh n GLY 32 N 1.40 -0.35 3.71 6.12 0.00 -1.26 -5.03 105.19 109.78 2jjh n GLY 32 Ca 0.25 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2jjh n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jjh s LEU 33 N 0.00 2.24 -0.02 0.99 1.43 -1.26 -4.95 118.68 117.11 2jjh s LEU 33 Ca 0.00 1.53 0.13 0.00 -1.03 0.00 0.00 54.13 54.75 2jjh s LEU 33 Cb 0.00 -3.93 0.40 0.00 0.03 0.00 0.00 46.19 42.69 2jjh s LEU 33 CO 0.00 -2.71 1.31 -0.67 0.23 0.00 0.00 176.35 174.51 2jjh n ASP 34 N -3.94 2.52 -4.60 2.29 2.03 -1.26 -4.91 116.55 108.69 2jjh n ASP 34 Ca 0.07 -2.07 -0.27 0.00 0.52 0.00 0.00 54.79 53.04 2jjh n ASP 34 Cb 0.55 -0.33 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 2jjh n ASP 34 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2jjh s ILE 35 N -1.49 2.08 -0.16 5.18 -4.36 -1.26 -5.10 121.20 116.09 2jjh s ILE 35 Ca 0.30 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2jjh s ILE 35 Cb 0.16 -2.89 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 2jjh s ILE 35 CO 0.19 -0.06 -0.15 -0.69 0.24 0.00 0.00 174.94 174.46 2jjh s VAL 36 N -2.68 2.64 0.07 8.37 1.01 -1.26 -5.01 120.40 123.54 2jjh s VAL 36 Ca 0.34 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 2jjh s VAL 36 Cb 0.08 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 2jjh s VAL 36 CO 0.18 0.51 1.62 -0.22 0.00 0.00 0.00 175.10 177.19 2jjh s LEU 37 N 0.87 4.36 -0.43 3.92 0.20 -1.26 0.06 118.68 126.39 2jjh s LEU 37 Ca -0.04 2.46 -0.24 0.00 0.69 0.00 0.00 54.13 56.99 2jjh s LEU 37 Cb -0.15 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 42.07 2jjh s LEU 37 CO -0.01 -0.86 0.83 -0.62 -0.29 0.00 0.00 176.35 175.40 2jjh s ASP 38 N 2.23 6.48 0.30 3.68 -1.08 -0.69 -4.70 116.67 122.90 2jjh s ASP 38 Ca 0.72 0.08 0.12 0.00 -0.52 0.00 0.00 52.55 52.96 2jjh s ASP 38 Cb -0.39 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.13 2jjh s ASP 38 CO 0.32 -0.92 1.67 -0.07 0.52 0.00 0.00 175.17 176.69 2jjh h LEU 39 N 10.19 0.00 0.12 -1.34 3.38 -1.93 -2.81 115.31 122.91 2jjh h LEU 39 Ca -0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 2jjh h LEU 39 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2jjh h LEU 39 CO 0.97 0.54 -1.75 0.74 0.09 0.00 0.00 178.44 179.03 2jjh h THR 40 N 0.00 0.90 0.00 0.22 2.02 -2.00 -3.40 112.91 110.65 2jjh h THR 40 Ca -0.01 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2jjh h THR 40 Cb 0.99 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 2jjh h THR 40 CO 0.07 0.81 -1.28 0.54 0.37 0.00 0.00 175.52 176.03 2jjh n ARG 41 N -3.44 0.47 -2.01 6.66 1.74 -1.22 -4.88 116.66 113.99 2jjh n ARG 41 Ca -0.23 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.44 2jjh n ARG 41 Cb 1.05 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 30.86 2jjh n ARG 41 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jjh s SER 42 N -4.49 5.95 -0.28 0.55 0.01 -1.06 -4.78 113.70 109.60 2jjh s SER 42 Ca -0.01 2.62 -0.19 0.00 1.31 0.00 0.00 55.95 59.68 2jjh s SER 42 Cb 0.13 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.83 2jjh s SER 42 CO 0.83 -1.09 0.81 -0.83 0.41 0.00 0.00 173.24 173.36 2jjh s GLY 43 N -0.94 -0.41 0.00 3.44 0.00 -0.33 -4.43 107.32 104.66 2jjh s GLY 43 Ca 0.63 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.88 2jjh s GLY 43 CO 0.46 2.22 0.00 0.61 0.00 0.00 0.00 173.10 176.39 2jjh n GLY 44 N 3.53 3.30 0.87 0.20 0.00 -0.11 -1.49 105.19 111.49 2jjh n GLY 44 Ca -0.17 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2jjh n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jjh n SER 45 N 6.69 2.51 -4.14 1.61 7.64 -1.26 -2.52 113.62 124.16 2jjh n SER 45 Ca 0.00 -2.14 -0.30 0.00 1.01 0.00 0.00 58.87 57.44 2jjh n SER 45 Cb 0.00 -0.36 -0.17 0.00 -1.01 0.00 0.00 64.21 62.67 2jjh n SER 45 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2jjh s TYR 46 N -1.61 2.25 0.01 1.43 1.51 -0.56 0.25 117.35 120.64 2jjh s TYR 46 Ca 0.27 -0.99 -0.14 0.00 -1.01 0.00 0.00 57.07 55.20 2jjh s TYR 46 Cb 0.16 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.40 2jjh s TYR 46 CO 0.15 -0.45 0.41 -0.51 -1.11 0.00 0.00 175.55 174.05 2jjh s LEU 47 N 0.64 4.46 -0.13 -1.29 1.43 -0.38 -1.18 118.68 122.23 2jjh s LEU 47 Ca -0.13 0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2jjh s LEU 47 Cb -0.16 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2jjh s LEU 47 CO 0.03 0.31 0.00 -0.69 0.23 0.00 0.00 176.35 176.23 2jjh s VAL 48 N -1.12 4.30 -0.30 -1.59 1.01 -1.26 -0.24 120.40 121.20 2jjh s VAL 48 Ca 0.25 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 2jjh s VAL 48 Cb -0.16 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2jjh s VAL 48 CO 0.14 0.54 0.93 -0.62 0.00 0.00 0.00 175.10 176.09 2jjh s ASP 49 N -0.26 6.82 0.58 3.32 2.15 -0.25 -1.71 116.67 127.33 2jjh s ASP 49 Ca 0.06 0.91 0.34 0.00 0.43 0.00 0.00 52.55 54.29 2jjh s ASP 49 Cb -0.12 -2.47 1.77 0.00 -0.30 0.00 0.00 42.92 41.80 2jjh s ASP 49 CO 0.02 -0.71 2.17 0.00 -0.17 0.00 0.00 175.17 176.47 2jjh h ALA 50 N 8.00 1.17 0.04 3.66 0.00 -0.65 0.18 119.26 131.66 2jjh h ALA 50 Ca -0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jjh h ALA 50 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jjh h ALA 50 CO 0.95 0.06 -0.02 0.82 0.00 0.00 0.00 179.25 181.06 2jjh h ILE 51 N 0.00 1.17 0.00 0.00 2.04 -1.92 -3.40 117.51 115.40 2jjh h ILE 51 Ca -0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2jjh h ILE 51 Cb 0.23 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2jjh h ILE 51 CO 0.01 0.36 -1.88 0.35 0.00 0.00 0.00 178.15 176.99 2jjh n THR 52 N -4.75 0.03 -0.41 -0.27 -2.24 -1.22 -4.97 114.28 100.45 2jjh n THR 52 Ca -0.07 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2jjh n THR 52 Cb 0.31 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2jjh n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjh n GLY 53 N 1.28 1.56 3.76 3.38 0.00 0.62 -5.03 105.19 110.77 2jjh n GLY 53 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2jjh n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jjh s ARG 54 N -0.23 3.65 -0.14 1.61 6.06 -1.25 -4.67 118.95 123.98 2jjh s ARG 54 Ca 0.00 2.41 -0.05 0.00 -2.50 0.00 0.00 55.73 55.59 2jjh s ARG 54 Cb 0.00 -2.63 -0.03 0.00 0.06 0.00 0.00 34.95 32.35 2jjh s ARG 54 CO 0.00 -0.84 0.02 1.03 -2.50 0.00 0.00 175.30 173.00 2jjh s ARG 55 N -2.48 3.56 -0.16 5.12 0.52 -1.26 -1.09 118.95 123.16 2jjh s ARG 55 Ca 0.62 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2jjh s ARG 55 Cb -0.44 -3.00 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 2jjh s ARG 55 CO 0.56 0.42 -0.15 0.71 0.02 0.00 0.00 175.30 176.86 2jjh s TYR 56 N -0.09 2.79 -0.01 -0.53 1.51 0.66 -4.91 117.35 116.78 2jjh s TYR 56 Ca 0.05 -1.07 -0.30 0.00 -1.01 0.00 0.00 57.07 54.74 2jjh s TYR 56 Cb -0.13 -1.90 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2jjh s TYR 56 CO 0.02 -0.49 1.53 -1.17 -1.11 0.00 0.00 175.55 174.33 2jjh s LEU 57 N 0.87 4.32 -0.48 -1.29 2.96 0.27 -1.25 118.68 124.08 2jjh s LEU 57 Ca -0.04 2.22 -0.14 0.00 -0.22 0.00 0.00 54.13 55.96 2jjh s LEU 57 Cb -0.15 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.08 2jjh s LEU 57 CO -0.01 -0.83 0.39 -0.62 -1.32 0.00 0.00 176.35 173.96 2jjh s ASP 58 N 2.46 6.00 -0.38 3.68 2.15 0.14 -0.38 116.67 130.33 2jjh s ASP 58 Ca 0.69 -1.55 0.05 0.00 0.43 0.00 0.00 52.55 52.17 2jjh s ASP 58 Cb -0.34 -2.13 0.46 0.00 -0.30 0.00 0.00 42.92 40.62 2jjh s ASP 58 CO 0.28 -0.68 1.44 0.23 -0.17 0.00 0.00 175.17 176.27 2jjh n MET 59 N 5.12 3.02 0.00 4.34 2.81 -0.09 -4.52 117.12 127.80 2jjh n MET 59 Ca -0.12 -3.77 0.00 0.00 -1.81 0.00 0.00 57.70 52.00 2jjh n MET 59 Cb 0.42 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 2jjh n MET 59 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jjh n PHE 60 N -0.85 0.00 -3.84 2.03 7.35 -0.95 -1.08 117.46 120.13 2jjh n PHE 60 Ca 0.46 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.89 2jjh n PHE 60 Cb 0.90 0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.94 2jjh n PHE 60 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2jjh n THR 61 N -2.28 -3.97 -3.68 -2.13 -2.24 -1.25 -0.26 114.28 98.47 2jjh n THR 61 Ca 0.00 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 2jjh n THR 61 Cb 0.15 -3.27 0.03 0.00 -2.10 0.00 0.00 70.33 65.14 2jjh n THR 61 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jjh n PHE 62 N -4.32 -1.93 -3.62 4.78 3.72 -1.26 -0.04 117.46 114.79 2jjh n PHE 62 Ca -0.27 0.72 -0.23 0.00 -0.05 0.00 0.00 57.45 57.62 2jjh n PHE 62 Cb 0.67 -4.00 0.04 0.00 -0.94 0.00 0.00 39.48 35.24 2jjh n PHE 62 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2jjh n VAL 63 N -4.16 -5.71 -1.53 -4.37 0.31 -0.78 -2.06 118.33 100.03 2jjh n VAL 63 Ca -0.22 -0.80 -0.18 0.00 -0.01 0.00 0.00 64.34 63.13 2jjh n VAL 63 Cb 0.65 -4.42 -0.08 0.00 -0.91 0.00 0.00 33.84 29.08 2jjh n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jjh n ALA 64 N -4.06 -0.28 1.10 3.52 0.00 0.64 -4.86 120.51 116.58 2jjh n ALA 64 Ca -0.20 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2jjh n ALA 64 Cb 0.64 -1.95 0.32 0.00 0.00 0.00 0.00 19.45 18.47 2jjh n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jjh n SER 65 N -1.22 2.27 -4.19 0.00 3.41 0.95 -4.17 113.62 110.67 2jjh n SER 65 Ca -0.18 -1.77 -0.34 0.00 -0.26 0.00 0.00 58.87 56.33 2jjh n SER 65 Cb 0.64 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 2jjh n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jjh s SER 66 N -1.80 3.63 0.03 4.04 0.15 -0.95 -3.38 113.70 115.41 2jjh s SER 66 Ca 0.34 -0.59 -0.13 0.00 0.70 0.00 0.00 55.95 56.27 2jjh s SER 66 Cb 0.20 -1.58 -0.34 0.00 -1.71 0.00 0.00 66.02 62.59 2jjh s SER 66 CO 0.30 -0.02 0.99 0.00 1.20 0.00 0.00 173.24 175.71 2jjh h ALA 67 N 8.00 -0.09 -0.35 5.45 0.00 -1.88 -3.38 119.26 127.01 2jjh h ALA 67 Ca -0.43 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.58 2jjh h ALA 67 Cb 1.14 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jjh h ALA 67 CO 0.62 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.93 2jjh n LEU 68 N -3.67 3.03 0.00 0.00 4.77 -1.26 -0.54 117.00 119.33 2jjh n LEU 68 Ca -0.16 -2.08 0.02 0.00 -0.03 0.00 0.00 56.01 53.75 2jjh n LEU 68 Cb 1.09 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2jjh n LEU 68 CO 0.59 0.73 -0.03 0.61 -1.33 0.00 0.00 177.39 177.96 2jjh n GLY 69 N 0.46 -1.88 3.77 -0.72 0.00 -1.26 -4.66 105.19 100.90 2jjh n GLY 69 Ca 0.13 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 2jjh n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jjh s MET 70 N -0.45 4.42 -1.24 1.61 -1.94 -1.05 -4.39 119.30 116.27 2jjh s MET 70 Ca 0.00 1.82 -0.23 0.00 -1.71 0.00 0.00 55.69 55.57 2jjh s MET 70 Cb 0.00 -2.98 0.02 0.00 2.01 0.00 0.00 34.83 33.87 2jjh s MET 70 CO 0.00 0.01 0.64 0.09 -0.01 0.00 0.00 175.02 175.75 2jjh n ASN 71 N 0.74 -3.69 -4.74 3.03 3.02 -1.26 -0.93 115.26 111.43 2jjh n ASN 71 Ca 0.01 -1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 52.99 2jjh n ASN 71 Cb 0.45 -2.47 -0.03 0.00 -0.61 0.00 0.00 39.78 37.13 2jjh n ASN 71 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jjh s PRO 72 N -6.79 4.38 0.33 3.52 0.04 -1.26 -4.57 135.00 130.65 2jjh s PRO 72 Ca 0.39 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.59 2jjh s PRO 72 Cb -0.18 -3.20 0.90 0.00 0.04 0.00 0.00 34.50 32.06 2jjh s PRO 72 CO 0.92 -0.27 1.74 -1.35 0.04 0.00 0.00 177.00 178.09 2jjh h PRO 73 N 5.46 0.57 0.00 0.56 0.11 -1.95 0.13 132.00 136.87 2jjh h PRO 73 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2jjh h PRO 73 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jjh h PRO 73 CO 0.78 0.37 -0.04 0.00 -0.21 0.00 0.00 178.00 178.90 2jjh h ALA 74 N 1.70 1.25 0.05 -0.75 0.00 -1.98 -0.38 119.26 119.14 2jjh h ALA 74 Ca 0.62 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 55.12 2jjh h ALA 74 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2jjh h ALA 74 CO -0.43 0.05 -2.25 1.28 0.00 0.00 0.00 179.25 177.90 2jjh n LEU 75 N -3.49 2.77 -0.05 0.00 4.32 0.33 -4.02 117.00 116.86 2jjh n LEU 75 Ca -0.02 0.04 -0.03 0.00 -0.02 0.00 0.00 56.01 55.98 2jjh n LEU 75 Cb 0.15 -0.99 0.22 0.00 -1.62 0.00 0.00 43.42 41.17 2jjh n LEU 75 CO 0.26 0.87 0.89 0.58 -1.22 0.00 0.00 177.39 178.77 2jjh h VAL 76 N -0.04 1.23 0.00 4.08 2.07 -1.09 -3.19 116.25 119.31 2jjh h VAL 76 Ca -0.52 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2jjh h VAL 76 Cb 1.93 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2jjh h VAL 76 CO -0.03 0.32 -0.71 0.47 0.02 0.00 0.00 177.57 177.64 2jjh n ASP 77 N -4.23 0.62 -4.52 0.57 8.00 -0.17 -4.83 116.55 111.99 2jjh n ASP 77 Ca 0.02 -0.29 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 2jjh n ASP 77 Cb 0.29 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 2jjh n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jjh s ASP 78 N -3.38 6.24 0.27 -2.24 -1.08 -1.21 -4.90 116.67 110.38 2jjh s ASP 78 Ca 0.08 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 2jjh s ASP 78 Cb 0.16 -2.50 0.38 0.00 -1.46 0.00 0.00 42.92 39.50 2jjh s ASP 78 CO 0.75 -1.57 1.74 0.08 0.52 0.00 0.00 175.17 176.68 2jjh h ARG 79 N 9.71 0.61 -0.27 4.34 -0.00 -1.88 -1.69 114.38 125.20 2jjh h ARG 79 Ca -0.27 -0.20 -0.11 0.00 -0.00 0.00 0.00 59.98 59.40 2jjh h ARG 79 Cb 1.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.96 2jjh h ARG 79 CO 1.21 0.74 -0.28 0.93 -0.00 0.00 0.00 179.97 182.57 2jjh h GLU 80 N 0.56 0.54 -0.11 0.08 5.08 -1.99 -3.01 114.58 115.73 2jjh h GLU 80 Ca 0.09 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2jjh h GLU 80 Cb 0.57 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jjh h GLU 80 CO 0.04 0.77 -0.02 0.35 -1.00 0.00 0.00 179.01 179.14 2jjh h PHE 81 N 0.47 0.24 -0.96 4.33 3.57 -1.88 -2.61 116.94 120.10 2jjh h PHE 81 Ca 0.06 -0.05 0.28 0.00 3.53 0.00 0.00 57.97 61.79 2jjh h PHE 81 Cb 0.73 -0.06 -0.14 0.00 2.79 0.00 0.00 35.95 39.27 2jjh h PHE 81 CO 0.03 0.51 0.45 0.45 -2.23 0.00 0.00 178.31 177.52 2jjh h HIS 82 N -0.10 0.73 -0.33 0.41 3.86 -1.23 0.18 115.15 118.67 2jjh h HIS 82 Ca 0.03 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 2jjh h HIS 82 Cb 0.43 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2jjh h HIS 82 CO 0.05 -0.16 -0.20 0.00 0.86 0.00 0.00 177.93 178.48 2jjh h ALA 83 N 1.81 0.47 -0.08 2.45 0.00 -1.39 -2.10 119.26 120.41 2jjh h ALA 83 Ca 0.66 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jjh h ALA 83 Cb 1.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jjh h ALA 83 CO -0.61 0.42 -0.00 0.93 0.00 0.00 0.00 179.25 179.99 2jjh h GLU 84 N 0.49 0.14 -0.95 0.00 5.08 -0.70 -1.87 114.58 116.78 2jjh h GLU 84 Ca 0.07 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2jjh h GLU 84 Cb 0.75 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 2jjh h GLU 84 CO 0.06 0.42 0.62 1.25 -1.00 0.00 0.00 179.01 180.35 2jjh h LEU 85 N -0.14 1.05 -0.28 1.33 5.85 -0.76 -1.40 115.31 120.96 2jjh h LEU 85 Ca 0.02 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jjh h LEU 85 Cb 0.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2jjh h LEU 85 CO 0.00 0.74 0.04 -0.03 -0.34 0.00 0.00 178.44 178.86 2jjh h MET 86 N 1.23 0.46 -0.52 1.25 4.05 -1.31 0.86 114.93 120.96 2jjh h MET 86 Ca 0.36 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2jjh h MET 86 Cb -0.06 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 2jjh h MET 86 CO -0.10 0.58 0.30 0.37 0.23 0.00 0.00 176.91 178.29 2jjh h GLN 87 N 0.27 0.70 0.06 0.39 4.15 -1.05 -1.70 115.11 117.93 2jjh h GLN 87 Ca 0.08 -0.06 -0.26 0.00 0.77 0.00 0.00 58.65 59.19 2jjh h GLN 87 Cb 0.34 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2jjh h GLN 87 CO 0.01 0.50 -1.25 0.00 -1.93 0.00 0.00 178.83 176.15 2jjh h ALA 88 N 1.62 0.32 0.00 3.38 0.00 -0.89 -3.36 119.26 120.33 2jjh h ALA 88 Ca 0.19 -1.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.01 2jjh h ALA 88 Cb -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jjh h ALA 88 CO -0.03 1.20 -0.35 0.00 0.00 0.00 0.00 179.25 180.06 2jjh h ALA 89 N 0.79 0.82 0.00 0.00 0.00 -0.25 -3.28 119.26 117.34 2jjh h ALA 89 Ca -0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2jjh h ALA 89 Cb 1.90 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2jjh h ALA 89 CO 0.15 0.44 -0.19 -0.07 0.00 0.00 0.00 179.25 179.58 2jjh h LEU 90 N 0.00 0.00 -8.93 0.00 3.38 -1.47 -3.45 115.31 104.84 2jjh h LEU 90 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 2jjh h LEU 90 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 2jjh h LEU 90 CO 0.05 0.19 -0.63 0.20 0.09 0.00 0.00 178.44 178.34 2jjh s ASN 91 N -6.39 1.55 -0.51 -0.43 0.01 -1.24 -5.11 114.94 102.83 2jjh s ASN 91 Ca -0.02 -1.33 0.04 0.00 -0.71 0.00 0.00 52.86 50.84 2jjh s ASN 91 Cb 0.13 0.08 0.17 0.00 0.41 0.00 0.00 41.25 42.04 2jjh s ASN 91 CO 0.63 -0.64 0.39 1.17 -1.51 0.00 0.00 177.10 177.14 2jjh n LYS 92 N -0.48 0.74 -1.33 -0.60 4.81 -1.26 -4.86 118.16 115.18 2jjh n LYS 92 Ca -0.02 -3.61 -0.33 0.00 -0.87 0.00 0.00 58.31 53.47 2jjh n LYS 92 Cb 0.66 -1.87 0.10 0.00 0.02 0.00 0.00 35.03 33.93 2jjh n LYS 92 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jjh s PRO 93 N -0.46 2.02 -0.93 1.64 0.04 -1.26 -4.93 135.00 131.11 2jjh s PRO 93 Ca 0.30 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2jjh s PRO 93 Cb 0.01 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.80 2jjh s PRO 93 CO -0.19 -1.91 1.29 -1.54 0.04 0.00 0.00 177.00 174.70 2jjh s SER 94 N -2.24 6.48 0.57 6.66 1.04 -1.26 -4.80 113.70 120.15 2jjh s SER 94 Ca 0.72 -1.49 0.35 0.00 0.48 0.00 0.00 55.95 56.01 2jjh s SER 94 Cb -0.27 -2.50 1.92 0.00 0.10 0.00 0.00 66.02 65.27 2jjh s SER 94 CO 0.47 -1.40 2.08 0.78 0.98 0.00 0.00 173.24 176.15 2jjh h ASN 95 N 9.51 0.00 -0.62 7.02 2.35 -0.99 0.16 115.58 133.01 2jjh h ASN 95 Ca 0.10 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2jjh h ASN 95 Cb 1.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2jjh h ASN 95 CO 1.29 0.00 0.41 0.28 -1.65 0.00 0.00 177.43 177.76 2jjh h SER 96 N 0.00 0.61 0.00 5.81 0.02 -1.75 -3.34 113.55 114.90 2jjh h SER 96 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jjh h SER 96 Cb 0.16 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jjh h SER 96 CO 0.00 0.41 -0.01 -0.90 -1.14 0.00 0.00 176.83 175.19 2jjh n ASP 97 N -4.47 0.06 -4.05 3.07 3.85 -0.85 -4.99 116.55 109.16 2jjh n ASP 97 Ca 0.08 -0.19 -0.32 0.00 -0.71 0.00 0.00 54.79 53.65 2jjh n ASP 97 Cb 0.16 0.40 -0.15 0.00 -1.35 0.00 0.00 41.12 40.17 2jjh n ASP 97 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2jjh s VAL 98 N -0.41 2.16 0.58 2.12 1.01 -0.01 -5.10 120.40 120.74 2jjh s VAL 98 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 61.98 60.15 2jjh s VAL 98 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2jjh s VAL 98 CO 0.00 -0.15 0.90 -0.31 0.00 0.00 0.00 175.10 175.53 2jjh s TYR 99 N 1.07 3.31 0.13 5.22 2.02 -1.26 -4.16 117.35 123.68 2jjh s TYR 99 Ca -0.05 0.70 -0.21 0.00 -0.37 0.00 0.00 57.07 57.14 2jjh s TYR 99 Cb -0.20 -2.69 0.06 0.00 -0.40 0.00 0.00 41.96 38.73 2jjh s TYR 99 CO -0.06 -0.76 0.54 -1.54 -1.57 0.00 0.00 175.55 172.16 2jjh s SER 100 N -4.28 -0.47 0.18 2.29 1.04 -1.26 -5.03 113.70 106.17 2jjh s SER 100 Ca 0.53 -0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 2jjh s SER 100 Cb -0.11 0.55 0.13 0.00 0.10 0.00 0.00 66.02 66.69 2jjh s SER 100 CO 0.46 -0.90 1.79 0.58 0.98 0.00 0.00 173.24 176.14 2jjh h VAL 101 N 2.21 0.96 -0.42 5.02 2.07 -1.99 -1.73 116.25 122.38 2jjh h VAL 101 Ca -0.33 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.09 2jjh h VAL 101 Cb 1.28 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 2jjh h VAL 101 CO 0.41 0.09 -0.02 0.00 0.02 0.00 0.00 177.57 178.07 2jjh h ALA 102 N 1.26 0.36 -0.50 1.67 0.00 -2.00 -1.20 119.26 118.86 2jjh h ALA 102 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jjh h ALA 102 Cb 0.12 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jjh h ALA 102 CO -0.15 -0.40 0.32 1.98 0.00 0.00 0.00 179.25 180.99 2jjh h MET 103 N 0.09 0.67 -0.46 0.00 -1.53 -1.87 -2.86 114.93 108.97 2jjh h MET 103 Ca 0.20 -0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.36 2jjh h MET 103 Cb 0.30 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.18 2jjh h MET 103 CO -0.36 0.46 0.06 0.00 0.14 0.00 0.00 176.91 177.22 2jjh h ALA 104 N 1.16 1.25 -0.42 0.39 0.00 -0.39 -1.71 119.26 119.55 2jjh h ALA 104 Ca 0.18 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jjh h ALA 104 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jjh h ALA 104 CO -0.04 0.51 -0.30 0.00 0.00 0.00 0.00 179.25 179.42 2jjh h ARG 105 N 0.68 0.92 0.24 0.00 3.08 -1.22 -1.18 114.38 116.91 2jjh h ARG 105 Ca 0.15 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2jjh h ARG 105 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2jjh h ARG 105 CO 0.01 1.09 -0.12 0.35 -1.07 0.00 0.00 179.97 180.23 2jjh h PHE 106 N 0.77 -0.30 -0.57 3.04 3.57 -1.21 -0.98 116.94 121.27 2jjh h PHE 106 Ca 0.08 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jjh h PHE 106 Cb 0.87 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2jjh h PHE 106 CO 0.05 -0.18 0.36 0.28 -2.23 0.00 0.00 178.31 176.59 2jjh h VAL 107 N -0.33 1.11 -0.08 1.41 2.07 -1.19 0.81 116.25 120.04 2jjh h VAL 107 Ca -0.03 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2jjh h VAL 107 Cb 0.26 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2jjh h VAL 107 CO 0.05 0.13 -0.41 1.05 0.02 0.00 0.00 177.57 178.42 2jjh h GLU 108 N 0.73 0.18 0.00 1.57 4.11 -1.13 -2.19 114.58 117.84 2jjh h GLU 108 Ca 0.22 -0.08 -0.16 0.00 0.07 0.00 0.00 59.36 59.40 2jjh h GLU 108 Cb -0.04 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2jjh h GLU 108 CO -0.07 0.56 -0.77 1.79 0.07 0.00 0.00 179.01 180.59 2jjh h THR 109 N 0.15 1.39 0.03 -1.06 1.35 -0.45 -2.32 112.91 112.01 2jjh h THR 109 Ca 0.01 -2.81 0.02 0.00 -0.55 0.00 0.00 66.41 63.08 2jjh h THR 109 Cb 0.79 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.77 2jjh h THR 109 CO 0.06 0.76 -0.11 0.15 -0.25 0.00 0.00 175.52 176.12 2jjh h PHE 110 N 0.00 -0.29 -0.59 4.73 3.04 -0.65 -0.26 116.94 122.91 2jjh h PHE 110 Ca -0.01 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2jjh h PHE 110 Cb 1.52 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 40.13 2jjh h PHE 110 CO 0.00 -0.17 0.35 0.00 -2.02 0.00 0.00 178.31 176.46 2jjh h ALA 111 N 0.73 0.76 0.11 2.41 0.00 -1.39 0.26 119.26 122.13 2jjh h ALA 111 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jjh h ALA 111 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jjh h ALA 111 CO -0.09 0.25 -0.05 -0.09 0.00 0.00 0.00 179.25 179.27 2jjh h ARG 112 N 0.80 -0.14 0.08 0.00 2.43 -1.33 -1.01 114.38 115.21 2jjh h ARG 112 Ca 0.21 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 59.09 2jjh h ARG 112 Cb 0.01 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2jjh h ARG 112 CO -0.04 -0.02 -1.57 0.28 -1.51 0.00 0.00 179.97 177.11 2jjh h VAL 113 N -0.22 1.08 0.00 0.20 2.07 -0.95 -3.39 116.25 115.04 2jjh h VAL 113 Ca -0.01 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.72 2jjh h VAL 113 Cb 0.18 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2jjh h VAL 113 CO 0.02 0.77 -0.15 0.18 0.02 0.00 0.00 177.57 178.41 2jjh n LEU 114 N -3.35 0.09 -4.72 2.57 4.77 0.84 -4.95 117.00 112.26 2jjh n LEU 114 Ca -0.17 -0.48 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 2jjh n LEU 114 Cb 1.04 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.23 2jjh n LEU 114 CO 0.48 0.02 0.78 -0.83 -1.33 0.00 0.00 177.39 176.51 2jjh s GLY 115 N -1.25 2.22 -0.10 -0.72 0.00 -0.38 -4.96 107.32 102.13 2jjh s GLY 115 Ca 0.01 0.81 0.01 0.00 0.00 0.00 0.00 44.72 45.56 2jjh s GLY 115 CO 0.09 1.22 -0.13 -0.35 0.00 0.00 0.00 173.10 173.92 2jjh s ASP 116 N -2.18 2.25 0.64 1.64 -1.08 -1.26 -4.95 116.67 111.72 2jjh s ASP 116 Ca 0.73 -0.38 0.42 0.00 -0.52 0.00 0.00 52.55 52.80 2jjh s ASP 116 Cb -0.28 -0.99 2.22 0.00 -1.46 0.00 0.00 42.92 42.41 2jjh s ASP 116 CO 0.48 -0.00 2.29 1.55 0.52 0.00 0.00 175.17 180.01 2jjh h PRO 117 N 7.43 0.00 0.00 4.34 0.13 -1.97 0.12 132.00 142.06 2jjh h PRO 117 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2jjh h PRO 117 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jjh h PRO 117 CO 0.47 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.24 2jjh h ALA 118 N 2.00 1.00 -2.16 -0.56 0.00 -1.98 -3.38 119.26 114.19 2jjh h ALA 118 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2jjh h ALA 118 Cb 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.48 2jjh h ALA 118 CO 0.00 0.00 -0.74 1.28 0.00 0.00 0.00 179.25 179.79 2jjh n LEU 119 N -2.39 3.06 0.25 0.00 4.77 0.43 -2.08 117.00 121.04 2jjh n LEU 119 Ca 0.04 -5.33 0.16 0.00 -0.03 0.00 0.00 56.01 50.85 2jjh n LEU 119 Cb 0.37 -0.31 0.61 0.00 -2.33 0.00 0.00 43.42 41.76 2jjh n LEU 119 CO 0.27 2.14 0.96 1.55 -1.33 0.00 0.00 177.39 180.98 2jjh h PRO 120 N 3.81 0.00 -6.09 3.23 0.13 -1.70 -3.37 132.00 128.01 2jjh h PRO 120 Ca 0.15 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.70 2jjh h PRO 120 Cb 0.69 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.74 2jjh h PRO 120 CO 0.74 0.00 0.66 -1.01 -0.23 0.00 0.00 178.00 178.16 2jjh s HIS 121 N -3.57 3.16 0.02 1.56 3.76 -0.87 -4.94 115.29 114.42 2jjh s HIS 121 Ca 0.02 1.01 0.05 0.00 -0.15 0.00 0.00 55.06 55.99 2jjh s HIS 121 Cb 0.09 -3.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 2jjh s HIS 121 CO 0.54 -0.70 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.11 2jjh s LEU 122 N 3.39 2.98 -0.14 0.89 1.02 -1.26 -0.31 118.68 125.25 2jjh s LEU 122 Ca 0.40 -0.24 -0.10 0.00 0.02 0.00 0.00 54.13 54.21 2jjh s LEU 122 Cb -0.13 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.40 2jjh s LEU 122 CO 0.15 0.27 0.34 0.12 0.02 0.00 0.00 176.35 177.25 2jjh s PHE 123 N -0.98 -0.43 0.02 0.29 5.36 -0.63 -4.98 117.98 116.63 2jjh s PHE 123 Ca 0.16 1.00 0.09 0.00 -0.96 0.00 0.00 56.93 57.22 2jjh s PHE 123 Cb -0.11 0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.70 2jjh s PHE 123 CO 0.07 -0.24 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.28 2jjh s PHE 124 N 0.73 2.27 -0.00 10.12 0.08 -1.26 -0.53 117.98 129.39 2jjh s PHE 124 Ca -0.04 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.37 2jjh s PHE 124 Cb -0.06 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2jjh s PHE 124 CO -0.05 0.06 0.47 0.54 -0.10 0.00 0.00 175.22 176.14 2jjh s VAL 125 N -0.72 0.04 -0.10 -0.44 0.11 -0.40 -3.94 120.40 114.95 2jjh s VAL 125 Ca 0.11 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 2jjh s VAL 125 Cb -0.10 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2jjh s VAL 125 CO 0.01 -0.16 1.14 -1.61 -3.33 0.00 0.00 175.10 171.14 2jjh s GLU 126 N -1.70 4.35 0.00 1.54 2.02 -1.26 -1.16 118.70 122.48 2jjh s GLU 126 Ca -0.10 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.45 2jjh s GLU 126 Cb -0.02 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.63 2jjh s GLU 126 CO 0.04 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2jjh n GLY 127 N 3.30 2.57 0.09 -1.39 0.00 -1.26 -4.76 105.19 103.74 2jjh n GLY 127 Ca 0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 2jjh n GLY 127 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jjh h GLY 128 N 0.00 0.18 1.01 -0.02 0.00 -1.91 -1.56 103.07 100.77 2jjh h GLY 128 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2jjh h GLY 128 CO 0.00 0.01 0.63 0.00 0.00 0.00 0.00 176.54 177.18 2jjh h ALA 129 N 1.10 1.35 0.00 3.60 0.00 -1.94 -1.50 119.26 121.87 2jjh h ALA 129 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jjh h ALA 129 Cb 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2jjh h ALA 129 CO -0.08 0.58 -0.29 1.25 0.00 0.00 0.00 179.25 180.72 2jjh h LEU 130 N 1.25 0.00 -0.01 0.00 5.85 -1.82 0.84 115.31 121.43 2jjh h LEU 130 Ca 0.36 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 2jjh h LEU 130 Cb -0.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2jjh h LEU 130 CO -0.09 0.29 -0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2jjh h ALA 131 N 1.71 0.01 -0.79 1.25 0.00 -0.66 -1.29 119.26 119.49 2jjh h ALA 131 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jjh h ALA 131 Cb 1.14 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2jjh h ALA 131 CO 0.04 -0.31 0.52 0.28 0.00 0.00 0.00 179.25 179.77 2jjh h VAL 132 N -0.34 1.05 -0.42 0.00 2.07 -0.89 -1.69 116.25 116.04 2jjh h VAL 132 Ca 0.00 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 2jjh h VAL 132 Cb 0.36 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2jjh h VAL 132 CO 0.00 0.16 -0.15 -0.33 0.02 0.00 0.00 177.57 177.27 2jjh h GLU 133 N 0.88 0.77 0.00 1.57 5.08 -0.75 -0.62 114.58 121.51 2jjh h GLU 133 Ca 0.34 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2jjh h GLU 133 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jjh h GLU 133 CO -0.11 0.87 -0.53 -0.91 -1.00 0.00 0.00 179.01 177.33 2jjh h ASN 134 N 0.69 0.00 -0.39 1.42 2.35 -0.64 0.76 115.58 119.76 2jjh h ASN 134 Ca 0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2jjh h ASN 134 Cb 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 2jjh h ASN 134 CO 0.04 0.53 0.17 0.00 -1.65 0.00 0.00 177.43 176.52 2jjh h ALA 135 N 1.47 0.51 -0.33 -0.83 0.00 -0.82 -0.70 119.26 118.56 2jjh h ALA 135 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2jjh h ALA 135 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jjh h ALA 135 CO 0.07 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 2jjh h LEU 136 N 0.49 0.58 -0.69 0.00 3.38 -0.60 -1.54 115.31 116.94 2jjh h LEU 136 Ca 0.13 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2jjh h LEU 136 Cb 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2jjh h LEU 136 CO -0.01 0.76 0.37 0.11 0.09 0.00 0.00 178.44 179.76 2jjh h LYS 137 N 0.39 0.64 -0.41 1.13 1.57 -0.82 0.36 116.57 119.43 2jjh h LYS 137 Ca 0.09 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2jjh h LYS 137 Cb 0.47 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 2jjh h LYS 137 CO 0.02 0.43 0.13 0.00 -0.57 0.00 0.00 179.45 179.45 2jjh h ALA 138 N 1.38 0.47 -0.53 3.86 0.00 -0.83 -1.83 119.26 121.78 2jjh h ALA 138 Ca 0.32 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 2jjh h ALA 138 Cb 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jjh h ALA 138 CO -0.21 -0.26 0.09 0.00 0.00 0.00 0.00 179.25 178.87 2jjh h ALA 139 N 1.28 0.70 -0.47 0.00 0.00 0.03 -0.52 119.26 120.28 2jjh h ALA 139 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jjh h ALA 139 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jjh h ALA 139 CO -0.21 0.43 0.31 0.74 0.00 0.00 0.00 179.25 180.52 2jjh h PHE 140 N 0.75 0.59 -0.21 0.00 0.04 -0.16 -0.54 116.94 117.42 2jjh h PHE 140 Ca 0.16 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 2jjh h PHE 140 Cb 0.39 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2jjh h PHE 140 CO 0.03 0.38 0.08 0.22 -0.60 0.00 0.00 178.31 178.41 2jjh h ASP 141 N 0.64 0.30 0.24 2.17 3.58 -1.18 -1.81 116.42 120.35 2jjh h ASP 141 Ca 0.17 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jjh h ASP 141 Cb -0.07 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2jjh h ASP 141 CO -0.04 0.40 -0.25 -0.25 -2.88 0.00 0.00 179.24 176.22 2jjh h TRP 142 N 0.18 -0.66 -0.85 0.28 7.01 -0.79 -1.55 115.95 119.57 2jjh h TRP 142 Ca 0.07 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.12 2jjh h TRP 142 Cb 0.20 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.46 2jjh h TRP 142 CO -0.01 -0.36 0.54 -0.22 -2.79 0.00 0.00 178.44 175.61 2jjh h LYS 143 N -0.52 1.01 -0.22 2.65 1.63 -1.08 0.08 116.57 120.11 2jjh h LYS 143 Ca -0.00 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2jjh h LYS 143 Cb 0.49 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2jjh h LYS 143 CO -0.06 0.67 0.08 1.03 -3.45 0.00 0.00 179.45 177.72 2jjh h SER 144 N 1.04 0.32 -0.00 4.20 0.87 -0.92 -0.99 113.55 118.07 2jjh h SER 144 Ca 0.35 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 2jjh h SER 144 Cb 0.05 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jjh h SER 144 CO -0.13 0.42 -0.43 0.03 -0.53 0.00 0.00 176.83 176.19 2jjh h ARG 145 N 0.20 0.53 -0.13 2.24 3.08 -0.99 -0.03 114.38 119.28 2jjh h ARG 145 Ca 0.07 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2jjh h ARG 145 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2jjh h ARG 145 CO -0.00 0.86 0.05 1.25 -1.07 0.00 0.00 179.97 181.05 2jjh h HIS 146 N 0.43 0.19 -0.20 3.04 2.76 -0.96 -1.37 115.15 119.05 2jjh h HIS 146 Ca 0.03 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2jjh h HIS 146 Cb 0.93 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.76 2jjh h HIS 146 CO 0.04 0.29 -0.42 -0.91 -1.30 0.00 0.00 177.93 175.63 2jjh h ASN 147 N 0.04 -1.33 -0.73 3.26 2.35 -1.02 -2.64 115.58 115.52 2jjh h ASN 147 Ca 0.04 0.18 0.14 0.00 -0.55 0.00 0.00 56.30 56.12 2jjh h ASN 147 Cb 0.18 0.55 -0.10 0.00 0.05 0.00 0.00 38.32 39.01 2jjh h ASN 147 CO -0.00 -0.41 0.24 -0.61 -1.65 0.00 0.00 177.43 175.00 2jjh h GLN 148 N -0.45 0.35 0.00 0.81 4.15 -0.86 -0.01 115.11 119.11 2jjh h GLN 148 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2jjh h GLN 148 Cb 0.61 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.22 2jjh h GLN 148 CO -0.44 0.23 0.00 0.00 -1.93 0.00 0.00 178.83 176.69 2jjh n ALA 149 N -2.57 2.09 -1.91 3.38 0.00 -0.53 -2.26 120.51 118.72 2jjh n ALA 149 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.50 2jjh n ALA 149 Cb 0.42 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.70 2jjh n ALA 149 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jjh n HIS 150 N -1.18 0.23 -1.15 0.00 8.25 -0.16 -4.97 115.22 116.25 2jjh n HIS 150 Ca 0.11 -1.31 -0.08 0.00 -0.26 0.00 0.00 57.72 56.18 2jjh n HIS 150 Cb 0.12 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 2jjh n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jjh n GLY 151 N -0.65 0.80 3.83 -1.41 0.00 -0.96 -4.97 105.19 101.84 2jjh n GLY 151 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2jjh n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jjh s ILE 152 N -1.62 4.74 -0.05 -0.61 1.01 -0.37 -5.00 121.20 119.30 2jjh s ILE 152 Ca 0.00 1.00 -0.35 0.00 0.00 0.00 0.00 60.65 61.29 2jjh s ILE 152 Cb 0.00 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 2jjh s ILE 152 CO 0.00 0.21 1.75 -0.67 0.00 0.00 0.00 174.94 176.23 2jjh n ASP 153 N 0.71 3.08 0.00 3.58 2.03 -1.26 -2.91 116.55 121.77 2jjh n ASP 153 Ca -0.04 1.02 0.09 0.00 0.52 0.00 0.00 54.79 56.38 2jjh n ASP 153 Cb 0.52 -1.34 0.42 0.00 -0.72 0.00 0.00 41.12 40.00 2jjh n ASP 153 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jjh n PRO 154 N 5.42 0.14 0.20 -0.67 -0.04 -1.26 -1.76 135.00 137.03 2jjh n PRO 154 Ca 0.22 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2jjh n PRO 154 Cb 0.26 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.72 2jjh n PRO 154 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jjh h ALA 155 N 2.75 1.00 -2.60 0.55 0.00 -1.90 -3.44 119.26 115.61 2jjh h ALA 155 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2jjh h ALA 155 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jjh h ALA 155 CO 0.00 0.00 0.22 -0.51 0.00 0.00 0.00 179.25 178.96 2jjh s LEU 156 N -5.46 4.46 0.00 0.00 1.43 -0.72 -4.68 118.68 113.70 2jjh s LEU 156 Ca 0.04 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 2jjh s LEU 156 Cb 0.09 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2jjh s LEU 156 CO 0.53 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.80 2jjh n GLY 157 N 1.06 0.90 0.07 -3.19 0.00 -1.21 -4.24 105.19 98.57 2jjh n GLY 157 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2jjh n GLY 157 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jjh n THR 158 N 0.00 1.19 -4.36 2.61 -2.24 -0.38 -4.46 114.28 106.64 2jjh n THR 158 Ca 0.00 -1.35 -0.26 0.00 -2.27 0.00 0.00 64.05 60.17 2jjh n THR 158 Cb 0.00 0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 2jjh n THR 158 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jjh s GLN 159 N -1.59 1.34 -0.19 -0.78 -0.21 -0.57 -4.94 119.66 112.72 2jjh s GLN 159 Ca 0.13 -1.35 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2jjh s GLN 159 Cb 0.11 -1.68 0.04 0.00 1.00 0.00 0.00 33.01 32.48 2jjh s GLN 159 CO 0.01 0.38 -0.09 0.08 -2.12 0.00 0.00 175.29 173.55 2jjh s VAL 160 N -1.35 1.47 0.11 1.09 1.01 -1.26 -0.11 120.40 121.36 2jjh s VAL 160 Ca 0.14 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2jjh s VAL 160 Cb -0.09 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2jjh s VAL 160 CO 0.06 0.17 1.13 -0.22 0.00 0.00 0.00 175.10 176.25 2jjh s LEU 161 N 1.47 4.43 0.32 3.92 2.96 -0.13 -3.85 118.68 127.81 2jjh s LEU 161 Ca -0.00 2.03 -0.11 0.00 -0.22 0.00 0.00 54.13 55.83 2jjh s LEU 161 Cb -0.16 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.96 2jjh s LEU 161 CO -0.08 -0.33 0.58 -1.38 -1.32 0.00 0.00 176.35 173.81 2jjh s HIS 162 N 0.41 0.50 0.21 5.38 -3.43 -1.00 -1.21 115.29 116.14 2jjh s HIS 162 Ca 0.54 -0.90 0.06 0.00 -0.80 0.00 0.00 55.06 53.96 2jjh s HIS 162 Cb -0.29 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 2jjh s HIS 162 CO 0.32 -1.21 0.14 -0.51 -2.00 0.00 0.00 174.74 171.48 2jjh s LEU 163 N -3.10 3.72 0.30 5.38 1.43 -1.26 -1.33 118.68 123.83 2jjh s LEU 163 Ca 0.22 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 2jjh s LEU 163 Cb -0.02 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 2jjh s LEU 163 CO 0.13 0.02 1.25 -0.13 0.23 0.00 0.00 176.35 177.86 2jjh s ARG 164 N -3.46 4.43 0.00 1.70 0.52 -0.22 -3.01 118.95 118.91 2jjh s ARG 164 Ca 0.32 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 2jjh s ARG 164 Cb -0.09 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2jjh s ARG 164 CO 0.23 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.87 2jjh n GLY 165 N 1.11 0.72 3.76 -3.53 0.00 -1.01 -4.50 105.19 101.74 2jjh n GLY 165 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2jjh n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjh s ALA 166 N -2.81 3.48 -0.20 4.61 0.00 -1.16 -3.92 121.76 121.75 2jjh s ALA 166 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2jjh s ALA 166 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2jjh s ALA 166 CO 0.00 -0.49 -0.16 0.12 0.00 0.00 0.00 175.76 175.23 2jjh s PHE 167 N -0.98 2.87 0.00 0.00 2.19 -1.26 -1.37 117.98 119.42 2jjh s PHE 167 Ca 0.49 -1.63 0.00 0.00 0.33 0.00 0.00 56.93 56.12 2jjh s PHE 167 Cb -0.37 -1.95 0.00 0.00 -1.31 0.00 0.00 43.02 39.39 2jjh s PHE 167 CO 0.48 -0.78 0.27 0.72 1.83 0.00 0.00 175.22 177.73 2jjh n HIS 168 N 4.62 0.00 0.00 10.12 8.25 -1.26 -4.96 115.22 131.99 2jjh n HIS 168 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2jjh n HIS 168 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2jjh n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jjh n GLY 169 N 0.25 1.66 0.49 -1.41 0.00 -1.26 -4.42 105.19 100.50 2jjh n GLY 169 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2jjh n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjh n ARG 170 N -1.95 1.53 -3.21 1.61 1.74 -1.26 -4.11 116.66 111.01 2jjh n ARG 170 Ca 0.00 -3.15 -0.18 0.00 -0.77 0.00 0.00 57.85 53.75 2jjh n ARG 170 Cb 0.00 -1.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.84 2jjh n ARG 170 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jjh s SER 171 N -3.15 5.54 0.09 0.55 1.04 -1.26 -4.80 113.70 111.71 2jjh s SER 171 Ca 0.37 -0.47 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 2jjh s SER 171 Cb 0.35 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2jjh s SER 171 CO -0.05 -0.69 0.95 0.61 0.98 0.00 0.00 173.24 175.05 2jjh n GLY 172 N -1.74 -1.73 0.15 7.32 0.00 -1.26 -0.14 105.19 107.79 2jjh n GLY 172 Ca 0.06 0.72 -0.20 0.00 0.00 0.00 0.00 46.02 46.60 2jjh n GLY 172 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jjh h TYR 173 N 0.00 0.82 0.00 1.61 0.05 -1.96 -3.31 116.97 114.18 2jjh h TYR 173 Ca 0.09 -0.54 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2jjh h TYR 173 Cb 0.23 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2jjh h TYR 173 CO -0.66 1.40 0.00 1.79 -1.05 0.00 0.00 178.16 179.64 2jjh h THR 174 N 0.19 0.00 0.00 -2.88 1.35 -1.60 -2.42 112.91 107.56 2jjh h THR 174 Ca -0.17 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 2jjh h THR 174 Cb 1.94 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2jjh h THR 174 CO 0.23 0.00 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.38 2jjh h LEU 175 N 0.00 0.00 -0.33 3.87 4.07 -0.63 0.08 115.31 122.37 2jjh h LEU 175 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jjh h LEU 175 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2jjh h LEU 175 CO 0.00 0.05 -0.17 -1.20 -1.08 0.00 0.00 178.44 176.04 2jjh n SER 176 N -3.63 0.68 -0.08 -0.43 7.64 -0.91 -4.30 113.62 112.60 2jjh n SER 176 Ca -0.02 -0.68 -0.14 0.00 1.01 0.00 0.00 58.87 59.04 2jjh n SER 176 Cb 0.15 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 2jjh n SER 176 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jjh n LEU 177 N -0.84 1.91 -4.68 -3.43 4.77 -0.49 -4.77 117.00 109.46 2jjh n LEU 177 Ca 0.13 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 2jjh n LEU 177 Cb 0.31 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2jjh n LEU 177 CO 0.25 0.51 1.47 -0.89 -1.33 0.00 0.00 177.39 177.39 2jjh s THR 178 N -2.29 2.83 -0.42 -5.08 2.01 -0.11 -4.69 115.64 107.90 2jjh s THR 178 Ca -0.21 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.01 2jjh s THR 178 Cb 0.07 -3.11 0.17 0.00 0.01 0.00 0.00 72.50 69.63 2jjh s THR 178 CO 0.30 -0.01 0.40 0.54 -0.69 0.00 0.00 174.62 175.16 2jjh s ASN 179 N 3.13 1.07 0.00 3.53 4.22 -0.47 -4.91 114.94 121.51 2jjh s ASN 179 Ca 0.81 -2.55 0.00 0.00 -2.14 0.00 0.00 52.86 48.98 2jjh s ASN 179 Cb -0.43 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.20 2jjh s ASN 179 CO 0.36 -0.18 0.00 0.35 -2.04 0.00 0.00 177.10 175.60 2jjh n THR 180 N 3.18 0.00 -2.28 0.54 -2.24 -1.26 -2.42 114.28 109.80 2jjh n THR 180 Ca 0.23 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.60 2jjh n THR 180 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2jjh n THR 180 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jjh s LYS 181 N 1.53 4.44 0.56 -0.78 1.02 -1.26 -4.95 119.74 120.31 2jjh s LYS 181 Ca 0.00 1.99 0.33 0.00 0.02 0.00 0.00 55.97 58.31 2jjh s LYS 181 Cb 0.00 -3.19 1.64 0.00 -0.52 0.00 0.00 37.83 35.76 2jjh s LYS 181 CO 0.00 -0.14 2.11 -1.35 -0.92 0.00 0.00 175.35 175.04 2jjh h PRO 182 N 4.94 0.00 0.00 -1.68 0.11 -2.00 -2.62 132.00 130.75 2jjh h PRO 182 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jjh h PRO 182 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jjh h PRO 182 CO 0.74 0.06 -0.00 1.79 -0.21 0.00 0.00 178.00 180.38 2jjh h THR 183 N 0.00 0.00 -0.14 -1.15 1.35 -1.95 0.85 112.91 111.87 2jjh h THR 183 Ca -0.00 -0.23 -0.18 0.00 -0.55 0.00 0.00 66.41 65.46 2jjh h THR 183 Cb 0.33 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2jjh h THR 183 CO 0.01 0.00 -0.65 0.40 -0.25 0.00 0.00 175.52 175.03 2jjh h ILE 184 N 0.00 1.34 0.00 6.82 2.04 -1.87 -3.39 117.51 122.45 2jjh h ILE 184 Ca -0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2jjh h ILE 184 Cb 0.22 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jjh h ILE 184 CO 0.00 0.60 -0.41 0.35 0.00 0.00 0.00 178.15 178.69 2jjh n THR 185 N -3.91 0.00 -1.97 -0.27 -2.24 -0.98 -5.00 114.28 99.90 2jjh n THR 185 Ca -0.04 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 2jjh n THR 185 Cb 0.66 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 2jjh n THR 185 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jjh s ALA 186 N -1.56 3.58 0.00 6.98 0.00 0.26 -2.65 121.76 128.37 2jjh s ALA 186 Ca 0.01 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2jjh s ALA 186 Cb 0.03 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2jjh s ALA 186 CO 0.15 -0.81 0.00 0.54 0.00 0.00 0.00 175.76 175.64 2jjh n ARG 187 N 1.28 -0.22 -4.15 0.00 1.74 -1.26 -5.01 116.66 109.04 2jjh n ARG 187 Ca 0.03 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 2jjh n ARG 187 Cb 0.40 -3.35 -0.09 0.00 -1.02 0.00 0.00 32.46 28.40 2jjh n ARG 187 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2jjh s PHE 188 N -2.54 3.27 0.28 -1.55 0.08 -1.08 -5.08 117.98 111.35 2jjh s PHE 188 Ca 0.00 0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 2jjh s PHE 188 Cb 0.00 -1.93 -0.10 0.00 -0.57 0.00 0.00 43.02 40.41 2jjh s PHE 188 CO 0.00 0.38 1.47 -2.14 -0.10 0.00 0.00 175.22 174.83 2jjh s PRO 189 N -0.39 4.22 0.20 0.24 0.02 -1.26 -5.01 135.00 133.02 2jjh s PRO 189 Ca 0.09 2.39 0.09 0.00 0.02 0.00 0.00 61.00 63.59 2jjh s PRO 189 Cb -0.12 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 2jjh s PRO 189 CO 0.02 -0.47 -0.18 0.15 -0.33 0.00 0.00 177.00 176.19 2jjh s LYS 190 N -0.69 1.40 0.29 5.54 1.02 -1.26 -4.82 119.74 121.22 2jjh s LYS 190 Ca 0.59 -1.55 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 2jjh s LYS 190 Cb -0.44 -1.41 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 2jjh s LYS 190 CO 0.47 0.27 0.77 -0.06 -0.92 0.00 0.00 175.35 175.88 2jjh s PHE 191 N -2.40 3.50 -1.01 3.18 0.08 -1.26 -5.02 117.98 115.06 2jjh s PHE 191 Ca 0.21 1.37 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 2jjh s PHE 191 Cb -0.04 -2.63 0.06 0.00 -0.57 0.00 0.00 43.02 39.84 2jjh s PHE 191 CO 0.09 0.18 1.39 0.34 -0.10 0.00 0.00 175.22 177.12 2jjh s ASP 192 N -1.96 6.53 0.08 1.36 -1.08 -1.26 -4.89 116.67 115.44 2jjh s ASP 192 Ca 0.50 -1.57 0.05 0.00 -0.52 0.00 0.00 52.55 51.01 2jjh s ASP 192 Cb -0.13 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 2jjh s ASP 192 CO 0.19 -1.43 -0.01 0.26 0.52 0.00 0.00 175.17 174.70 2jjh s TRP 193 N 4.56 2.97 0.01 -5.34 0.51 -1.26 -5.00 118.94 115.39 2jjh s TRP 193 Ca 0.44 -0.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.09 2jjh s TRP 193 Cb -0.01 -1.54 -0.06 0.00 -0.81 0.00 0.00 33.47 31.05 2jjh s TRP 193 CO -0.10 0.47 1.40 -1.25 -0.51 0.00 0.00 176.95 176.96 2jjh s PRO 194 N -2.19 4.29 -0.06 4.98 0.04 -1.25 -4.97 135.00 135.84 2jjh s PRO 194 Ca 0.24 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2jjh s PRO 194 Cb -0.12 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2jjh s PRO 194 CO 0.17 -0.56 -0.15 0.50 0.04 0.00 0.00 177.00 176.99 2jjh s ARG 195 N 2.29 2.60 0.22 4.56 3.52 -1.26 -2.38 118.95 128.50 2jjh s ARG 195 Ca 0.64 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 2jjh s ARG 195 Cb -0.32 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 2jjh s ARG 195 CO 0.27 0.56 -0.13 0.96 -0.81 0.00 0.00 175.30 176.15 2jjh s ILE 196 N -0.56 1.73 0.61 4.11 -4.36 -0.44 -4.96 121.20 117.33 2jjh s ILE 196 Ca 0.08 -2.20 -0.18 0.00 -0.26 0.00 0.00 60.65 58.09 2jjh s ILE 196 Cb -0.11 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 2jjh s ILE 196 CO 0.01 -0.52 1.21 -1.81 0.24 0.00 0.00 174.94 174.07 2jjh s ASP 197 N -3.35 5.06 -0.43 4.36 1.01 -1.26 -1.06 116.67 120.99 2jjh s ASP 197 Ca 0.24 2.37 -0.17 0.00 0.71 0.00 0.00 52.55 55.71 2jjh s ASP 197 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.37 2jjh s ASP 197 CO 0.08 -1.68 0.43 0.00 0.21 0.00 0.00 175.17 174.21 2jjh s ALA 198 N -1.67 3.44 -1.28 5.23 0.00 -1.26 -4.72 121.76 121.51 2jjh s ALA 198 Ca 0.77 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2jjh s ALA 198 Cb -0.30 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2jjh s ALA 198 CO 0.35 -1.63 2.74 -0.35 0.00 0.00 0.00 175.76 176.86 2jjh n PRO 199 N 5.56 3.89 -2.03 0.00 -0.04 -1.26 -4.96 135.00 136.16 2jjh n PRO 199 Ca -0.08 -2.70 -0.32 0.00 -0.04 0.00 0.00 63.50 60.36 2jjh n PRO 199 Cb 0.47 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 2jjh n PRO 199 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2jjh s TYR 200 N 0.27 3.22 0.25 0.54 -0.85 -1.26 -4.71 117.35 114.81 2jjh s TYR 200 Ca 0.62 1.45 -0.30 0.00 -0.52 0.00 0.00 57.07 58.32 2jjh s TYR 200 Cb 0.21 -2.89 -0.10 0.00 0.38 0.00 0.00 41.96 39.56 2jjh s TYR 200 CO -0.08 -0.88 1.43 -1.64 -1.52 0.00 0.00 175.55 172.86 2jjh s MET 201 N -4.40 4.27 0.33 -3.49 -1.94 -0.49 -4.98 119.30 108.60 2jjh s MET 201 Ca 0.60 2.29 0.07 0.00 -1.71 0.00 0.00 55.69 56.94 2jjh s MET 201 Cb -0.13 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.53 2jjh s MET 201 CO 0.41 -0.40 -0.03 -0.98 -0.01 0.00 0.00 175.02 174.01 2jjh s ARG 202 N -0.43 1.71 0.45 2.03 1.70 -1.26 -4.72 118.95 118.42 2jjh s ARG 202 Ca 0.59 -1.91 -0.24 0.00 -0.47 0.00 0.00 55.73 53.70 2jjh s ARG 202 Cb -0.42 -1.30 -0.08 0.00 -0.57 0.00 0.00 34.95 32.59 2jjh s ARG 202 CO 0.44 -0.01 1.26 -1.25 -1.08 0.00 0.00 175.30 174.66 2jjh s PRO 203 N -3.74 3.76 -0.59 3.89 0.04 -1.26 -3.86 135.00 133.24 2jjh s PRO 203 Ca 0.33 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 2jjh s PRO 203 Cb 0.06 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2jjh s PRO 203 CO 0.15 -0.63 0.51 0.41 0.04 0.00 0.00 177.00 177.49 2jjh n GLY 204 N 0.61 0.22 2.61 0.56 0.00 -1.26 -5.04 105.19 102.89 2jjh n GLY 204 Ca 0.06 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 2jjh n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jjh s LEU 205 N -3.89 0.35 0.67 0.99 1.02 -1.25 -5.11 118.68 111.46 2jjh s LEU 205 Ca 0.19 -0.72 -0.07 0.00 0.02 0.00 0.00 54.13 53.56 2jjh s LEU 205 Cb -0.08 -0.22 0.04 0.00 0.02 0.00 0.00 46.19 45.95 2jjh s LEU 205 CO 0.33 -0.37 0.98 1.51 0.02 0.00 0.00 176.35 178.83 2jjh s ASP 206 N 2.15 5.06 0.03 2.29 1.47 -1.26 -4.66 116.67 121.75 2jjh s ASP 206 Ca 0.04 0.55 -0.06 0.00 1.18 0.00 0.00 52.55 54.26 2jjh s ASP 206 Cb -0.16 -1.30 -0.01 0.00 -0.34 0.00 0.00 42.92 41.10 2jjh s ASP 206 CO -0.15 -1.44 0.29 1.21 0.68 0.00 0.00 175.17 175.77 2jjh n GLU 207 N -2.83 -0.08 -0.05 2.11 4.07 -1.26 -0.94 120.64 121.65 2jjh n GLU 207 Ca 0.07 0.29 -0.11 0.00 -0.06 0.00 0.00 57.16 57.35 2jjh n GLU 207 Cb 0.60 -0.42 -0.04 0.00 -0.06 0.00 0.00 31.44 31.51 2jjh n GLU 207 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2jjh h PRO 208 N 0.00 0.29 -0.78 5.31 0.11 -1.99 -1.62 132.00 133.32 2jjh h PRO 208 Ca 0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2jjh h PRO 208 Cb 0.08 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 2jjh h PRO 208 CO -0.18 0.34 0.37 0.00 -0.21 0.00 0.00 178.00 178.33 2jjh h ALA 209 N 0.93 1.19 -0.04 -0.75 0.00 -1.39 -0.29 119.26 118.91 2jjh h ALA 209 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jjh h ALA 209 Cb 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jjh h ALA 209 CO -0.01 0.62 0.02 0.52 0.00 0.00 0.00 179.25 180.40 2jjh h MET 210 N 1.11 0.05 -0.96 0.00 2.86 -1.27 -2.48 114.93 114.25 2jjh h MET 210 Ca 0.27 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2jjh h MET 210 Cb 0.11 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2jjh h MET 210 CO -0.03 0.14 0.63 0.00 1.06 0.00 0.00 176.91 178.71 2jjh h ALA 211 N 0.91 1.37 -0.63 6.32 0.00 -0.85 -0.87 119.26 125.51 2jjh h ALA 211 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jjh h ALA 211 Cb 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jjh h ALA 211 CO -0.00 0.54 0.21 0.00 0.00 0.00 0.00 179.25 180.00 2jjh h ALA 212 N 1.44 1.19 -0.20 0.00 0.00 -0.97 -0.75 119.26 119.97 2jjh h ALA 212 Ca 0.38 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2jjh h ALA 212 Cb -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2jjh h ALA 212 CO -0.11 0.57 -0.65 1.25 0.00 0.00 0.00 179.25 180.32 2jjh h LEU 213 N 0.92 0.91 -0.25 0.00 5.85 -0.88 -2.77 115.31 119.10 2jjh h LEU 213 Ca 0.21 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2jjh h LEU 213 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2jjh h LEU 213 CO -0.01 1.35 0.10 -0.33 -0.34 0.00 0.00 178.44 179.21 2jjh h GLU 214 N 0.53 0.37 -0.75 1.25 5.08 -1.00 -2.77 114.58 117.29 2jjh h GLU 214 Ca -0.02 -0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 2jjh h GLU 214 Cb 1.27 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2jjh h GLU 214 CO 0.14 0.40 0.50 0.00 -1.00 0.00 0.00 179.01 179.05 2jjh h ALA 215 N 0.95 2.12 -0.39 3.43 0.00 -1.12 0.38 119.26 124.62 2jjh h ALA 215 Ca 0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jjh h ALA 215 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jjh h ALA 215 CO -0.01 -0.32 -0.21 1.49 0.00 0.00 0.00 179.25 180.20 2jjh h GLU 216 N 0.41 0.83 -0.35 0.00 4.57 -1.32 0.24 114.58 118.96 2jjh h GLU 216 Ca 0.36 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2jjh h GLU 216 Cb 0.84 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2jjh h GLU 216 CO -0.11 1.01 0.04 0.00 -1.18 0.00 0.00 179.01 178.77 2jjh h ALA 217 N 0.80 0.47 -0.93 2.92 0.00 -0.76 -2.33 119.26 119.42 2jjh h ALA 217 Ca 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jjh h ALA 217 Cb 0.77 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2jjh h ALA 217 CO 0.06 0.19 0.62 -0.07 0.00 0.00 0.00 179.25 180.05 2jjh h LEU 218 N 0.42 1.07 -0.24 0.00 4.07 -0.24 0.12 115.31 120.51 2jjh h LEU 218 Ca 0.10 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.08 2jjh h LEU 218 Cb 0.38 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 2jjh h LEU 218 CO 0.01 0.77 -0.03 -0.09 -1.08 0.00 0.00 178.44 178.03 2jjh h ARG 219 N 1.26 0.04 -0.56 1.13 2.43 -0.47 0.13 114.38 118.34 2jjh h ARG 219 Ca 0.34 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2jjh h ARG 219 Cb -0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2jjh h ARG 219 CO -0.08 0.03 0.21 1.96 -1.51 0.00 0.00 179.97 180.58 2jjh h GLN 220 N 0.04 0.84 0.26 0.20 4.20 -0.84 -0.88 115.11 118.93 2jjh h GLN 220 Ca 0.11 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jjh h GLN 220 Cb 0.16 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2jjh h GLN 220 CO -0.21 0.73 -0.33 0.00 -0.67 0.00 0.00 178.83 178.35 2jjh h ALA 221 N 1.06 -0.66 -0.40 3.87 0.00 -0.49 -1.88 119.26 120.77 2jjh h ALA 221 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jjh h ALA 221 Cb 0.22 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2jjh h ALA 221 CO -0.01 -0.91 0.26 -0.09 0.00 0.00 0.00 179.25 178.49 2jjh h ARG 222 N -0.64 0.51 -0.80 0.00 2.43 -0.81 -1.43 114.38 113.63 2jjh h ARG 222 Ca -0.00 -0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.32 2jjh h ARG 222 Cb 0.61 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.92 2jjh h ARG 222 CO -0.10 0.34 0.24 0.00 -1.51 0.00 0.00 179.97 178.93 2jjh h ALA 223 N 1.15 1.12 -0.36 2.80 0.00 -1.11 0.66 119.26 123.53 2jjh h ALA 223 Ca 0.15 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2jjh h ALA 223 Cb -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jjh h ALA 223 CO -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 179.25 178.75 2jjh h ALA 224 N 1.67 0.49 -0.52 0.00 0.00 -0.45 -1.84 119.26 118.62 2jjh h ALA 224 Ca 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jjh h ALA 224 Cb 0.86 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2jjh h ALA 224 CO -0.54 0.36 0.33 0.74 0.00 0.00 0.00 179.25 180.14 2jjh h PHE 225 N 0.49 0.66 0.00 0.00 0.04 -0.47 -2.47 116.94 115.19 2jjh h PHE 225 Ca 0.09 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 2jjh h PHE 225 Cb 0.62 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2jjh h PHE 225 CO 0.05 0.43 -0.49 0.93 -0.60 0.00 0.00 178.31 178.63 2jjh h GLU 226 N 0.70 0.00 0.00 1.51 5.08 -0.77 -3.28 114.58 117.82 2jjh h GLU 226 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2jjh h GLU 226 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jjh h GLU 226 CO -0.04 0.49 -0.90 0.25 -1.00 0.00 0.00 179.01 177.81 2jjh n THR 227 N -3.84 0.15 -3.46 1.13 -2.24 -0.70 -4.25 114.28 101.07 2jjh n THR 227 Ca -0.01 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 2jjh n THR 227 Cb 0.52 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 2jjh n THR 227 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jjh n ARG 228 N -1.87 2.05 -2.00 -0.78 1.74 -0.94 -5.09 116.66 109.77 2jjh n ARG 228 Ca 0.03 -4.36 -0.42 0.00 -0.77 0.00 0.00 57.85 52.33 2jjh n ARG 228 Cb 0.41 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 2jjh n ARG 228 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jjh s PRO 229 N -2.03 4.25 0.00 5.56 0.02 -1.25 -2.01 135.00 139.55 2jjh s PRO 229 Ca 0.37 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2jjh s PRO 229 Cb 0.12 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2jjh s PRO 229 CO -0.06 -0.48 0.00 0.72 -0.33 0.00 0.00 177.00 176.85 2jjh n HIS 230 N 3.02 0.00 0.35 6.54 8.25 -1.26 -4.81 115.22 127.30 2jjh n HIS 230 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.65 2jjh n HIS 230 Cb 0.40 -1.68 -0.13 0.00 1.12 0.00 0.00 29.99 29.69 2jjh n HIS 230 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2jjh n ASP 231 N -0.64 0.71 -4.54 0.41 2.03 -0.85 -3.34 116.55 110.33 2jjh n ASP 231 Ca 0.00 -0.37 -0.43 0.00 0.52 0.00 0.00 54.79 54.51 2jjh n ASP 231 Cb 0.32 1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 42.20 2jjh n ASP 231 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jjh s ILE 232 N -3.11 4.60 0.20 5.18 1.01 -1.25 -1.25 121.20 126.59 2jjh s ILE 232 Ca -0.01 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2jjh s ILE 232 Cb 0.13 -4.36 -0.11 0.00 0.01 0.00 0.00 42.46 38.13 2jjh s ILE 232 CO 0.79 -0.78 1.45 0.00 0.00 0.00 0.00 174.94 176.40 2jjh h ALA 233 N 9.03 0.67 -2.38 9.38 0.00 -0.73 -3.42 119.26 131.80 2jjh h ALA 233 Ca -0.25 -0.68 0.17 0.00 0.00 0.00 0.00 54.91 54.16 2jjh h ALA 233 Cb 1.08 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2jjh h ALA 233 CO 0.98 0.89 0.47 0.00 0.00 0.00 0.00 179.25 181.59 2jjh s PHE 235 N -3.32 2.68 0.02 0.00 5.36 -0.07 -0.95 117.98 121.70 2jjh s PHE 235 Ca 0.12 -0.97 0.04 0.00 -0.96 0.00 0.00 56.93 55.16 2jjh s PHE 235 Cb -0.02 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2jjh s PHE 235 CO 0.03 -0.39 -0.09 0.08 -1.46 0.00 0.00 175.22 173.38 2jjh s VAL 236 N 0.48 3.47 0.01 3.12 1.01 -0.35 0.04 120.40 128.17 2jjh s VAL 236 Ca -0.13 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2jjh s VAL 236 Cb -0.17 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.76 2jjh s VAL 236 CO 0.05 0.37 0.53 0.00 0.00 0.00 0.00 175.10 176.05 2jjh s ALA 237 N -1.00 -1.37 -0.03 5.51 0.00 -0.87 -4.35 121.76 119.66 2jjh s ALA 237 Ca 0.17 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 2jjh s ALA 237 Cb -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2jjh s ALA 237 CO 0.08 -0.42 0.70 -1.21 0.00 0.00 0.00 175.76 174.91 2jjh s GLU 238 N -1.85 4.43 0.41 0.00 2.02 -1.26 0.19 118.70 122.64 2jjh s GLU 238 Ca -0.09 0.91 0.08 0.00 0.02 0.00 0.00 54.97 55.89 2jjh s GLU 238 Cb -0.01 -3.41 0.85 0.00 0.10 0.00 0.00 34.13 31.66 2jjh s GLU 238 CO 0.03 0.17 2.04 -1.35 0.02 0.00 0.00 175.26 176.17 2jjh h PRO 239 N 6.29 0.48 -4.21 0.39 0.11 -1.96 -3.35 132.00 129.75 2jjh h PRO 239 Ca -0.42 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.15 2jjh h PRO 239 Cb 1.20 -0.10 -0.36 0.00 0.11 0.00 0.00 31.00 31.85 2jjh h PRO 239 CO 0.73 0.36 -0.80 0.42 -0.21 0.00 0.00 178.00 178.50 2jjh s ILE 240 N -5.36 0.90 -0.03 4.15 1.01 -1.26 -4.22 121.20 116.38 2jjh s ILE 240 Ca -0.08 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 2jjh s ILE 240 Cb 0.17 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2jjh s ILE 240 CO 0.73 0.33 1.41 -1.10 0.00 0.00 0.00 174.94 176.31 2jjh s GLN 241 N 1.37 4.26 0.00 2.79 -0.21 0.15 -4.87 119.66 123.15 2jjh s GLN 241 Ca -0.02 1.94 0.00 0.00 0.02 0.00 0.00 55.36 57.30 2jjh s GLN 241 Cb -0.14 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2jjh s GLN 241 CO -0.04 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 2jjh n GLY 242 N 3.70 1.14 0.34 3.09 0.00 -1.26 -0.98 105.19 111.21 2jjh n GLY 242 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.33 2jjh n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjh h ALA 243 N -2.00 1.87 0.00 4.61 0.00 -1.92 -0.65 119.26 121.16 2jjh h ALA 243 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jjh h ALA 243 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jjh h ALA 243 CO 0.00 -0.32 -0.10 0.78 0.00 0.00 0.00 179.25 179.62 2jjh h GLY 244 N 0.00 0.00 0.00 0.00 0.00 -1.79 -3.03 103.07 98.25 2jjh h GLY 244 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jjh h GLY 244 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jjh n GLY 245 N -0.15 0.02 3.89 4.60 0.00 -0.36 -4.45 105.19 108.73 2jjh n GLY 245 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2jjh n GLY 245 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jjh n ASP 246 N 0.00 -4.70 -4.58 1.61 9.92 -0.54 -4.94 116.55 113.33 2jjh n ASP 246 Ca 0.00 -1.11 -0.38 0.00 -0.53 0.00 0.00 54.79 52.76 2jjh n ASP 246 Cb 0.00 -2.11 -0.11 0.00 -0.64 0.00 0.00 41.12 38.26 2jjh n ASP 246 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jjh s ARG 247 N -6.33 3.89 0.06 -1.24 0.52 -0.15 -4.92 118.95 110.78 2jjh s ARG 247 Ca 0.34 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2jjh s ARG 247 Cb -0.17 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.58 2jjh s ARG 247 CO 0.92 -0.22 0.19 -1.01 0.02 0.00 0.00 175.30 175.20 2jjh s HIS 248 N 1.77 3.47 0.03 -0.53 3.76 -1.26 -0.68 115.29 121.85 2jjh s HIS 248 Ca 0.07 0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.27 2jjh s HIS 248 Cb -0.16 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2jjh s HIS 248 CO 0.11 0.58 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.33 2jjh s PHE 249 N -1.49 1.66 0.24 1.40 0.08 -1.26 -1.40 117.98 117.21 2jjh s PHE 249 Ca 0.34 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 2jjh s PHE 249 Cb -0.13 -1.01 -0.10 0.00 -0.57 0.00 0.00 43.02 41.22 2jjh s PHE 249 CO 0.27 0.05 1.39 1.03 -0.10 0.00 0.00 175.22 177.86 2jjh s ARG 250 N -0.97 4.31 0.44 0.44 0.52 -1.26 -4.90 118.95 117.53 2jjh s ARG 250 Ca 0.06 2.23 0.26 0.00 -0.52 0.00 0.00 55.73 57.76 2jjh s ARG 250 Cb -0.08 -3.13 1.30 0.00 0.52 0.00 0.00 34.95 33.56 2jjh s ARG 250 CO 0.01 -0.35 1.71 -1.35 0.02 0.00 0.00 175.30 175.34 2jjh h PRO 251 N 5.00 0.21 -0.82 3.54 0.10 -1.95 0.11 132.00 138.18 2jjh h PRO 251 Ca -0.46 -0.01 0.15 0.00 0.10 0.00 0.00 66.00 65.78 2jjh h PRO 251 Cb 1.22 -0.05 -0.10 0.00 0.10 0.00 0.00 31.00 32.17 2jjh h PRO 251 CO 0.77 0.14 0.38 0.93 0.10 0.00 0.00 178.00 180.32 2jjh h GLU 252 N 0.21 0.52 -0.23 1.05 3.07 -1.90 -1.49 114.58 115.81 2jjh h GLU 252 Ca 0.69 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.51 2jjh h GLU 252 Cb 2.09 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.87 2jjh h GLU 252 CO -0.30 0.34 0.11 0.35 -1.40 0.00 0.00 179.01 178.11 2jjh h PHE 253 N 0.53 0.32 -0.15 4.33 3.57 -1.15 -2.30 116.94 122.09 2jjh h PHE 253 Ca 0.46 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.84 2jjh h PHE 253 Cb 0.70 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2jjh h PHE 253 CO -0.12 0.31 -0.35 0.74 -2.23 0.00 0.00 178.31 176.66 2jjh h PHE 254 N 0.24 0.37 -0.56 0.41 0.04 -1.49 -1.47 116.94 114.47 2jjh h PHE 254 Ca 0.08 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2jjh h PHE 254 Cb 0.11 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2jjh h PHE 254 CO -0.03 0.64 0.18 0.00 -0.60 0.00 0.00 178.31 178.50 2jjh h ALA 255 N 1.36 0.73 -0.73 2.45 0.00 -1.12 0.60 119.26 122.54 2jjh h ALA 255 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jjh h ALA 255 Cb 0.76 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jjh h ALA 255 CO 0.06 0.39 0.30 0.00 0.00 0.00 0.00 179.25 179.99 2jjh h ALA 256 N 1.05 0.95 -0.49 0.00 0.00 -1.27 -1.64 119.26 117.86 2jjh h ALA 256 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jjh h ALA 256 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jjh h ALA 256 CO -0.01 0.57 0.26 0.52 0.00 0.00 0.00 179.25 180.59 2jjh h MET 257 N 1.05 0.69 -0.27 0.00 2.07 -0.36 -0.33 114.93 117.79 2jjh h MET 257 Ca 0.24 -0.09 0.05 0.00 -2.07 0.00 0.00 59.70 57.84 2jjh h MET 257 Cb 0.21 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 2jjh h MET 257 CO -0.02 0.55 -0.02 -0.09 1.07 0.00 0.00 176.91 178.41 2jjh h ARG 258 N 0.65 0.06 -0.56 1.72 9.65 0.32 0.26 114.38 126.48 2jjh h ARG 258 Ca 0.17 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2jjh h ARG 258 Cb 0.07 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 2jjh h ARG 258 CO -0.03 0.04 0.21 1.49 2.80 0.00 0.00 179.97 184.48 2jjh h GLU 259 N 0.06 0.84 -0.28 0.20 4.81 -1.01 -2.31 114.58 116.88 2jjh h GLU 259 Ca 0.13 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2jjh h GLU 259 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2jjh h GLU 259 CO -0.23 0.74 -0.31 1.25 -0.73 0.00 0.00 179.01 179.73 2jjh h LEU 260 N 0.76 0.61 -0.79 1.64 5.85 -0.74 -1.17 115.31 121.48 2jjh h LEU 260 Ca 0.18 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2jjh h LEU 260 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2jjh h LEU 260 CO -0.01 0.88 0.49 0.00 -0.34 0.00 0.00 178.44 179.46 2jjh h ASP 262 N 1.08 0.99 -0.78 0.00 3.32 -1.06 0.12 116.42 120.08 2jjh h ASP 262 Ca 0.28 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 57.14 2jjh h ASP 262 Cb -0.07 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 2jjh h ASP 262 CO -0.06 1.01 0.51 -0.08 -1.72 0.00 0.00 179.24 178.90 2jjh h GLU 263 N 0.93 0.76 -0.55 3.56 4.81 -1.00 -2.44 114.58 120.64 2jjh h GLU 263 Ca 0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jjh h GLU 263 Cb 0.46 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2jjh h GLU 263 CO 0.02 0.50 0.00 1.19 -0.73 0.00 0.00 179.01 179.99 2jjh n PHE 264 N -4.49 1.19 -3.68 0.92 3.72 -1.05 -4.97 117.46 109.10 2jjh n PHE 264 Ca 0.12 -0.62 -0.23 0.00 -0.05 0.00 0.00 57.45 56.68 2jjh n PHE 264 Cb 0.27 -0.19 0.05 0.00 -0.94 0.00 0.00 39.48 38.66 2jjh n PHE 264 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jjh n ASP 265 N 0.86 -2.99 -4.50 4.37 8.00 -0.70 -4.90 116.55 116.69 2jjh n ASP 265 Ca 0.23 -0.73 -0.30 0.00 0.71 0.00 0.00 54.79 54.70 2jjh n ASP 265 Cb 0.78 -4.38 -0.11 0.00 -0.02 0.00 0.00 41.12 37.39 2jjh n ASP 265 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjh s ALA 266 N -3.47 2.71 0.39 2.24 0.00 0.32 -4.95 121.76 119.01 2jjh s ALA 266 Ca 0.25 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 2jjh s ALA 266 Cb -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 2jjh s ALA 266 CO 0.79 0.60 0.87 -0.51 0.00 0.00 0.00 175.76 177.51 2jjh s LEU 267 N -1.87 3.98 -0.31 0.00 1.43 -0.94 -4.14 118.68 116.83 2jjh s LEU 267 Ca 0.17 1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 2jjh s LEU 267 Cb -0.11 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 2jjh s LEU 267 CO 0.09 -0.30 0.17 -0.22 0.23 0.00 0.00 176.35 176.31 2jjh s LEU 268 N -3.11 4.17 -0.12 1.79 0.20 -1.26 -0.89 118.68 119.47 2jjh s LEU 268 Ca 0.59 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.89 2jjh s LEU 268 Cb -0.09 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.61 2jjh s LEU 268 CO 0.15 -0.20 -0.00 -0.51 -0.29 0.00 0.00 176.35 175.50 2jjh s ILE 269 N 1.63 4.25 -0.17 6.68 1.10 0.11 -1.13 121.20 133.67 2jjh s ILE 269 Ca 0.05 -0.25 -0.06 0.00 -0.51 0.00 0.00 60.65 59.88 2jjh s ILE 269 Cb -0.17 -2.82 -0.03 0.00 0.15 0.00 0.00 42.46 39.58 2jjh s ILE 269 CO 0.07 0.56 0.01 -0.36 -2.11 0.00 0.00 174.94 173.11 2jjh s PHE 270 N -0.38 3.15 -0.68 3.50 0.08 -0.75 -2.04 117.98 120.86 2jjh s PHE 270 Ca 0.07 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.84 2jjh s PHE 270 Cb -0.12 -2.01 0.11 0.00 -0.57 0.00 0.00 43.02 40.42 2jjh s PHE 270 CO 0.02 0.09 0.84 0.34 -0.10 0.00 0.00 175.22 176.41 2jjh s ASP 271 N 0.30 6.29 -0.30 1.36 -1.08 0.13 -1.49 116.67 121.87 2jjh s ASP 271 Ca 0.00 -1.50 0.11 0.00 -0.52 0.00 0.00 52.55 50.64 2jjh s ASP 271 Cb -0.13 -2.34 0.78 0.00 -1.46 0.00 0.00 42.92 39.77 2jjh s ASP 271 CO 0.01 -1.16 1.81 -0.62 0.52 0.00 0.00 175.17 175.73 2jjh n GLU 272 N 6.58 4.11 -0.30 4.34 -0.58 0.14 -4.28 120.64 130.65 2jjh n GLU 272 Ca -0.01 -3.13 -0.04 0.00 -0.42 0.00 0.00 57.16 53.56 2jjh n GLU 272 Cb 0.44 -2.25 0.08 0.00 -0.57 0.00 0.00 31.44 29.15 2jjh n GLU 272 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jjh h VAL 273 N 3.09 1.19 0.10 2.62 2.07 -1.85 0.17 116.25 123.63 2jjh h VAL 273 Ca 0.20 -0.37 -0.34 0.00 0.82 0.00 0.00 66.70 67.01 2jjh h VAL 273 Cb 2.27 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2jjh h VAL 273 CO 0.69 0.20 -1.82 -0.61 0.02 0.00 0.00 177.57 176.04 2jjh h GLN 274 N 1.07 0.21 0.00 1.57 4.15 -1.89 -3.38 115.11 116.85 2jjh h GLN 274 Ca 0.30 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2jjh h GLN 274 Cb -0.09 0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2jjh h GLN 274 CO -0.08 1.03 -0.04 0.25 -1.93 0.00 0.00 178.83 178.07 2jjh n THR 275 N -3.38 0.28 -1.46 2.39 -2.24 -1.16 -4.94 114.28 103.77 2jjh n THR 275 Ca -0.25 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 2jjh n THR 275 Cb 1.05 -0.50 0.21 0.00 -2.10 0.00 0.00 70.33 68.99 2jjh n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjh n GLY 276 N 1.41 -2.06 3.97 3.38 0.00 0.57 -4.10 105.19 108.37 2jjh n GLY 276 Ca 0.06 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 2jjh n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjh n GLY 278 N -1.99 3.30 0.33 0.00 0.00 -1.04 -4.92 105.19 100.88 2jjh n GLY 278 Ca -0.30 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2jjh n GLY 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jjh h LEU 279 N 0.00 0.68 -0.06 0.99 5.85 -1.72 0.14 115.31 121.20 2jjh h LEU 279 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jjh h LEU 279 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jjh h LEU 279 CO 0.00 0.28 -0.03 0.35 -0.34 0.00 0.00 178.44 178.70 2jjh n THR 280 N -4.80 0.00 0.00 1.05 -2.24 -1.26 -1.06 114.28 105.98 2jjh n THR 280 Ca 0.20 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2jjh n THR 280 Cb 0.48 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2jjh n THR 280 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjh n GLY 281 N 1.27 1.62 3.48 3.38 0.00 0.50 -3.12 105.19 112.32 2jjh n GLY 281 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2jjh n GLY 281 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jjh s THR 282 N -2.21 1.61 0.20 2.61 -4.23 -1.26 -4.44 115.64 107.93 2jjh s THR 282 Ca 0.00 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 2jjh s THR 282 Cb 0.00 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.32 2jjh s THR 282 CO 0.00 -0.14 1.70 0.00 -0.54 0.00 0.00 174.62 175.63 2jjh h ALA 283 N 2.11 0.64 -2.94 3.99 0.00 -1.92 -2.83 119.26 118.31 2jjh h ALA 283 Ca -0.41 0.14 -0.41 0.00 0.00 0.00 0.00 54.91 54.23 2jjh h ALA 283 Cb 1.24 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 2jjh h ALA 283 CO 0.71 -0.33 -0.76 -1.58 0.00 0.00 0.00 179.25 177.29 2jjh s TRP 284 N -6.13 1.36 0.21 0.00 0.52 -1.26 -0.81 118.94 112.84 2jjh s TRP 284 Ca -0.13 -0.55 -0.06 0.00 0.02 0.00 0.00 56.10 55.38 2jjh s TRP 284 Cb 0.17 -0.72 0.16 0.00 -1.15 0.00 0.00 33.47 31.93 2jjh s TRP 284 CO 0.74 0.13 1.65 0.00 0.02 0.00 0.00 176.95 179.48 2jjh h ALA 285 N 3.60 0.89 -0.16 0.98 0.00 -1.81 -2.84 119.26 119.92 2jjh h ALA 285 Ca -0.40 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.23 2jjh h ALA 285 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jjh h ALA 285 CO 0.50 0.64 0.17 0.10 0.00 0.00 0.00 179.25 180.65 2jjh h TYR 286 N 0.82 0.00 0.00 0.00 -0.00 -1.96 0.11 116.97 115.94 2jjh h TYR 286 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.86 2jjh h TYR 286 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.35 2jjh h TYR 286 CO 0.04 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.24 2jjh n GLN 287 N -3.86 0.12 -0.01 0.10 6.02 -1.07 -1.92 117.38 116.76 2jjh n GLN 287 Ca 0.01 0.41 0.11 0.00 -0.01 0.00 0.00 57.00 57.52 2jjh n GLN 287 Cb 0.29 -1.76 -0.17 0.00 1.02 0.00 0.00 30.24 29.62 2jjh n GLN 287 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jjh n GLN 288 N -2.00 0.64 0.00 -1.09 6.02 0.37 -4.18 117.38 117.14 2jjh n GLN 288 Ca 0.02 -0.19 0.13 0.00 -0.01 0.00 0.00 57.00 56.94 2jjh n GLN 288 Cb 0.18 -1.51 0.35 0.00 1.02 0.00 0.00 30.24 30.27 2jjh n GLN 288 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jjh n LEU 289 N -2.24 1.04 -3.70 1.08 4.77 -0.81 -4.96 117.00 112.18 2jjh n LEU 289 Ca -0.04 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.46 2jjh n LEU 289 Cb 0.56 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2jjh n LEU 289 CO 0.46 0.20 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.99 2jjh n ASP 290 N -0.67 -1.35 -4.06 -1.43 2.03 -0.99 -4.78 116.55 105.30 2jjh n ASP 290 Ca 0.12 -0.81 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 2jjh n ASP 290 Cb 0.35 -4.08 -0.15 0.00 -0.72 0.00 0.00 41.12 36.52 2jjh n ASP 290 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2jjh s VAL 291 N -3.65 0.99 -0.34 5.18 1.01 -1.24 -4.95 120.40 117.40 2jjh s VAL 291 Ca 0.03 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2jjh s VAL 291 Cb -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2jjh s VAL 291 CO 0.81 0.29 0.23 0.00 0.00 0.00 0.00 175.10 176.43 2jjh s ALA 292 N -0.05 3.48 0.58 5.51 0.00 -1.26 -4.76 121.76 125.27 2jjh s ALA 292 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 2jjh s ALA 292 Cb -0.07 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2jjh s ALA 292 CO 0.00 -0.96 0.99 -1.25 0.00 0.00 0.00 175.76 174.54 2jjh s PRO 293 N 1.71 3.65 -0.10 0.00 0.04 -1.26 -4.94 135.00 134.10 2jjh s PRO 293 Ca 0.06 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 61.79 2jjh s PRO 293 Cb -0.17 -2.13 -0.25 0.00 0.04 0.00 0.00 34.50 31.98 2jjh s PRO 293 CO 0.10 -0.47 0.45 -0.25 0.04 0.00 0.00 177.00 176.87 2jjh n ASP 294 N -2.49 1.79 -4.03 6.66 8.00 -0.28 -4.71 116.55 121.48 2jjh n ASP 294 Ca 0.05 0.27 -0.16 0.00 0.71 0.00 0.00 54.79 55.66 2jjh n ASP 294 Cb 0.54 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.86 2jjh n ASP 294 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jjh s ILE 295 N -2.57 0.62 -0.08 0.53 1.10 -1.18 -1.24 121.20 118.38 2jjh s ILE 295 Ca -0.18 -0.67 0.03 0.00 -0.51 0.00 0.00 60.65 59.33 2jjh s ILE 295 Cb 0.07 -0.59 0.00 0.00 0.15 0.00 0.00 42.46 42.10 2jjh s ILE 295 CO 0.79 -0.06 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.68 2jjh s VAL 296 N -0.68 1.69 -0.19 4.00 1.01 -0.05 -1.82 120.40 124.36 2jjh s VAL 296 Ca -0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2jjh s VAL 296 Cb -0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2jjh s VAL 296 CO 0.00 0.48 0.13 0.00 0.00 0.00 0.00 175.10 175.71 2jjh s ALA 297 N 0.45 3.70 0.26 5.51 0.00 -0.56 -1.23 121.76 129.90 2jjh s ALA 297 Ca -0.17 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2jjh s ALA 297 Cb -0.17 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 2jjh s ALA 297 CO 0.07 0.20 0.02 -0.59 0.00 0.00 0.00 175.76 175.46 2jjh s PHE 298 N 0.24 1.65 -1.71 0.00 -0.12 -0.73 -0.68 117.98 116.63 2jjh s PHE 298 Ca 0.09 -0.97 0.00 0.00 -0.05 0.00 0.00 56.93 56.00 2jjh s PHE 298 Cb -0.11 -0.99 0.00 0.00 -0.63 0.00 0.00 43.02 41.29 2jjh s PHE 298 CO -0.01 -0.07 0.00 0.41 -0.05 0.00 0.00 175.22 175.50 2jjh n GLY 299 N -0.49 -0.69 7.00 1.99 0.00 -1.26 -2.27 105.19 109.47 2jjh n GLY 299 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jjh n GLY 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjh n LYS 300 N 0.00 0.00 0.01 1.61 5.02 -1.26 -2.26 118.16 121.28 2jjh n LYS 300 Ca 0.00 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.52 2jjh n LYS 300 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 35.71 2jjh n LYS 300 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2jjh h LYS 301 N 0.00 0.00 -0.00 1.97 1.57 -1.71 -0.54 116.57 117.85 2jjh h LYS 301 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jjh h LYS 301 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jjh h LYS 301 CO 0.00 0.00 -0.07 0.25 -0.57 0.00 0.00 179.45 179.06 2jjh n THR 302 N -3.70 0.00 0.00 -0.16 -2.24 -0.96 -4.65 114.28 102.57 2jjh n THR 302 Ca 0.11 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jjh n THR 302 Cb 0.79 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2jjh n THR 302 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jjh n GLN 303 N -0.97 0.00 -2.45 -0.78 1.13 -0.21 -4.74 117.38 109.36 2jjh n GLN 303 Ca 0.16 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.85 2jjh n GLN 303 Cb 0.25 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.57 2jjh n GLN 303 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2jjh s VAL 304 N 0.00 3.52 0.51 5.09 -7.23 -1.26 -4.81 120.40 116.21 2jjh s VAL 304 Ca 0.00 1.13 0.05 0.00 -1.81 0.00 0.00 61.98 61.35 2jjh s VAL 304 Cb 0.00 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.42 2jjh s VAL 304 CO 0.00 -0.02 0.43 0.00 -0.31 0.00 0.00 175.10 175.19 2jjh n GLY 306 N -1.10 0.19 3.04 0.00 0.00 -0.96 -1.28 105.19 105.08 2jjh n GLY 306 Ca 0.01 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2jjh n GLY 306 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jjh s VAL 307 N -3.01 0.31 -0.09 1.61 -7.23 0.31 -1.77 120.40 110.53 2jjh s VAL 307 Ca 0.00 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2jjh s VAL 307 Cb 0.00 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2jjh s VAL 307 CO 0.00 -0.57 -0.14 -0.04 -0.31 0.00 0.00 175.10 174.04 2jjh s MET 308 N -2.07 2.93 0.02 4.82 -1.94 -0.36 -1.61 119.30 121.08 2jjh s MET 308 Ca -0.08 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 2jjh s MET 308 Cb -0.06 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 2jjh s MET 308 CO -0.02 0.43 -0.03 0.00 -0.01 0.00 0.00 175.02 175.39 2jjh s ALA 309 N -0.22 0.10 0.00 3.03 0.00 0.58 -0.87 121.76 124.38 2jjh s ALA 309 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2jjh s ALA 309 Cb -0.13 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2jjh s ALA 309 CO 0.03 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2jjh n GLY 310 N 1.84 -0.61 7.00 0.00 0.00 -0.37 -2.04 105.19 111.00 2jjh n GLY 310 Ca -0.22 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2jjh n GLY 310 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jjh n ARG 311 N 0.00 0.00 0.07 1.61 0.63 -0.88 -0.83 116.66 117.26 2jjh n ARG 311 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 2jjh n ARG 311 Cb 0.00 0.00 0.43 0.00 0.45 0.00 0.00 32.46 33.34 2jjh n ARG 311 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jjh n ARG 312 N 12.80 0.12 -0.09 -0.14 1.74 -1.26 -3.17 116.66 126.66 2jjh n ARG 312 Ca 0.00 0.32 0.06 0.00 -0.77 0.00 0.00 57.85 57.46 2jjh n ARG 312 Cb 0.00 -1.71 0.41 0.00 -1.02 0.00 0.00 32.46 30.13 2jjh n ARG 312 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jjh h VAL 313 N 0.00 1.04 0.00 1.55 2.07 -1.29 -1.41 116.25 118.21 2jjh h VAL 313 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jjh h VAL 313 Cb 0.36 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2jjh h VAL 313 CO 0.00 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.17 2jjh n ASP 314 N -4.47 0.56 0.31 0.57 8.00 -1.19 -2.93 116.55 117.40 2jjh n ASP 314 Ca 0.07 0.59 0.20 0.00 0.71 0.00 0.00 54.79 56.36 2jjh n ASP 314 Cb 0.17 -0.73 0.96 0.00 -0.02 0.00 0.00 41.12 41.50 2jjh n ASP 314 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jjh h GLU 315 N 0.00 0.00 -4.41 -1.24 5.08 -1.46 -3.36 114.58 109.19 2jjh h GLU 315 Ca 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 2jjh h GLU 315 Cb 0.50 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.48 2jjh h GLU 315 CO 0.00 0.01 -0.43 0.08 -1.00 0.00 0.00 179.01 177.67 2jjh s VAL 316 N -3.94 4.42 0.48 3.13 1.01 -1.15 -4.97 120.40 119.37 2jjh s VAL 316 Ca -0.02 -1.38 0.14 0.00 0.00 0.00 0.00 61.98 60.72 2jjh s VAL 316 Cb 0.11 -3.71 0.29 0.00 0.00 0.00 0.00 36.38 33.07 2jjh s VAL 316 CO 0.48 -0.55 2.09 0.00 0.00 0.00 0.00 175.10 177.12 2jjh h ALA 317 N 8.48 1.98 -1.04 5.51 0.00 -1.86 -2.74 119.26 129.58 2jjh h ALA 317 Ca -0.24 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.02 2jjh h ALA 317 Cb 1.09 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.47 2jjh h ALA 317 CO 0.79 -0.02 0.02 -0.40 0.00 0.00 0.00 179.25 179.65 2jjh n ASP 318 N -4.49 6.13 -3.70 0.00 5.75 -1.26 -4.83 116.55 114.15 2jjh n ASP 318 Ca 0.02 -3.77 -0.29 0.00 -0.01 0.00 0.00 54.79 50.73 2jjh n ASP 318 Cb 0.18 -0.68 0.23 0.00 -1.03 0.00 0.00 41.12 39.81 2jjh n ASP 318 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2jjh n ASN 319 N -0.68 -1.02 0.15 -1.12 0.23 -1.04 -4.72 115.26 107.06 2jjh n ASN 319 Ca 0.50 -1.31 0.13 0.00 -0.53 0.00 0.00 54.58 53.36 2jjh n ASN 319 Cb 0.67 -1.00 0.51 0.00 -2.08 0.00 0.00 39.78 37.88 2jjh n ASN 319 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2jjh h VAL 320 N -2.25 0.00 -0.02 3.53 3.04 -1.89 -0.50 116.25 118.16 2jjh h VAL 320 Ca -0.41 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2jjh h VAL 320 Cb 1.20 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2jjh h VAL 320 CO 0.28 0.00 -0.30 0.49 -1.01 0.00 0.00 177.57 177.03 2jjh n PHE 321 N -2.38 0.00 -0.01 3.17 3.72 -1.26 -4.24 117.46 116.47 2jjh n PHE 321 Ca 0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 2jjh n PHE 321 Cb 0.27 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 2jjh n PHE 321 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jjh n ALA 322 N 0.31 2.35 -2.90 4.37 0.00 -0.24 -4.98 120.51 119.43 2jjh n ALA 322 Ca 0.11 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 2jjh n ALA 322 Cb 0.49 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 2jjh n ALA 322 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jjh s VAL 323 N -2.67 4.28 0.37 0.00 1.01 -0.96 -4.98 120.40 117.44 2jjh s VAL 323 Ca -0.04 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 2jjh s VAL 323 Cb 0.06 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 2jjh s VAL 323 CO 0.41 0.48 1.38 -2.84 0.00 0.00 0.00 175.10 174.53 2jjh s PRO 324 N 0.36 4.13 0.00 2.72 0.02 -1.26 -3.90 135.00 137.06 2jjh s PRO 324 Ca -0.01 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2jjh s PRO 324 Cb -0.13 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2jjh s PRO 324 CO 0.02 -0.43 0.00 0.45 -0.33 0.00 0.00 177.00 176.71 2jjh n SER 325 N 0.45 -2.26 -0.08 2.53 2.88 -1.26 -4.89 113.62 110.99 2jjh n SER 325 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 2jjh n SER 325 Cb 0.41 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 2jjh n SER 325 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jjh h ARG 326 N 1.44 0.65 -6.45 -1.46 2.47 -1.84 -3.43 114.38 105.75 2jjh h ARG 326 Ca 0.00 -0.37 -0.70 0.00 -1.26 0.00 0.00 59.98 57.66 2jjh h ARG 326 Cb 0.10 0.02 -0.27 0.00 -1.65 0.00 0.00 29.97 28.18 2jjh h ARG 326 CO 0.00 0.98 -0.83 -0.51 0.56 0.00 0.00 179.97 180.17 2jjh s LEU 327 N -8.93 2.40 -0.12 3.04 1.43 -1.26 -5.10 118.68 110.15 2jjh s LEU 327 Ca -0.12 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 2jjh s LEU 327 Cb 0.08 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.98 2jjh s LEU 327 CO 0.82 0.33 1.04 0.21 0.23 0.00 0.00 176.35 178.98 2jjh s ASN 328 N -0.66 -0.28 0.09 2.29 2.47 -1.26 -5.09 114.94 112.50 2jjh s ASN 328 Ca 0.10 0.11 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 2jjh s ASN 328 Cb -0.10 0.27 -0.00 0.00 -1.45 0.00 0.00 41.25 39.97 2jjh s ASN 328 CO -0.00 -0.40 0.20 -0.94 -3.72 0.00 0.00 177.10 172.24 2jjh s SER 329 N -1.93 0.11 0.12 -4.21 1.04 -1.26 -5.05 113.70 102.52 2jjh s SER 329 Ca 0.05 -0.63 -0.31 0.00 0.48 0.00 0.00 55.95 55.54 2jjh s SER 329 Cb -0.01 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.37 2jjh s SER 329 CO -0.05 -0.73 1.58 0.74 0.98 0.00 0.00 173.24 175.76 2jjh h THR 330 N 2.76 0.11 0.00 2.02 2.02 -2.01 -3.25 112.91 114.55 2jjh h THR 330 Ca -0.34 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 2jjh h THR 330 Cb 1.20 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2jjh h THR 330 CO 0.56 0.00 -0.90 -0.50 0.37 0.00 0.00 175.52 175.05 2jjh h TRP 331 N -0.57 0.00 -5.84 3.16 6.55 -1.93 -3.39 115.95 113.92 2jjh h TRP 331 Ca 0.05 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.51 2jjh h TRP 331 Cb 0.66 0.00 0.12 0.00 -0.86 0.00 0.00 29.16 29.09 2jjh h TRP 331 CO -0.47 0.48 -0.76 0.41 -1.05 0.00 0.00 178.44 177.05 2jjh n GLY 332 N 1.29 -0.41 0.00 1.49 0.00 -1.23 -0.56 105.19 105.77 2jjh n GLY 332 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jjh n GLY 332 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjh n GLY 333 N -1.49 -1.03 3.57 -0.02 0.00 -1.25 -4.46 105.19 100.51 2jjh n GLY 333 Ca -0.19 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2jjh n GLY 333 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jjh s ASN 334 N -2.65 6.46 0.28 1.61 3.84 -1.26 -4.72 114.94 118.49 2jjh s ASN 334 Ca 0.00 0.19 0.03 0.00 0.21 0.00 0.00 52.86 53.28 2jjh s ASN 334 Cb 0.00 -2.34 0.69 0.00 -0.55 0.00 0.00 41.25 39.05 2jjh s ASN 334 CO 0.00 -0.63 1.70 0.25 -2.79 0.00 0.00 177.10 175.62 2jjh h LEU 335 N 9.48 0.29 -0.54 3.21 5.85 -1.91 -0.14 115.31 131.55 2jjh h LEU 335 Ca -0.26 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2jjh h LEU 335 Cb 1.11 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2jjh h LEU 335 CO 0.86 -0.00 0.35 0.74 -0.34 0.00 0.00 178.44 180.04 2jjh h THR 336 N 0.39 1.11 -0.79 1.05 2.02 -1.89 0.19 112.91 114.98 2jjh h THR 336 Ca 0.54 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.56 2jjh h THR 336 Cb 1.01 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 2jjh h THR 336 CO -0.53 0.13 0.46 0.44 0.37 0.00 0.00 175.52 176.39 2jjh h ASP 337 N 0.70 0.68 -0.24 4.18 3.32 -1.56 -0.35 116.42 123.15 2jjh h ASP 337 Ca 0.21 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2jjh h ASP 337 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2jjh h ASP 337 CO -0.06 0.42 0.03 0.24 -1.72 0.00 0.00 179.24 178.15 2jjh h MET 338 N 0.81 0.40 -0.53 3.56 2.86 0.15 0.20 114.93 122.39 2jjh h MET 338 Ca 0.36 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 2jjh h MET 338 Cb 0.26 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2jjh h MET 338 CO -0.21 0.54 0.23 0.28 1.06 0.00 0.00 176.91 178.82 2jjh h VAL 339 N 0.19 1.21 -0.29 -2.22 2.07 -0.51 -0.18 116.25 116.52 2jjh h VAL 339 Ca 0.07 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jjh h VAL 339 Cb 0.34 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2jjh h VAL 339 CO 0.01 0.24 0.13 -0.09 0.02 0.00 0.00 177.57 177.87 2jjh h ARG 340 N 0.71 0.42 -0.50 1.57 2.43 -0.94 -2.66 114.38 115.40 2jjh h ARG 340 Ca 0.18 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2jjh h ARG 340 Cb 0.15 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2jjh h ARG 340 CO -0.02 0.42 0.08 0.00 -1.51 0.00 0.00 179.97 178.94 2jjh h ALA 341 N 0.98 1.20 -0.30 2.80 0.00 -0.43 0.11 119.26 123.61 2jjh h ALA 341 Ca 0.10 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jjh h ALA 341 Cb 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2jjh h ALA 341 CO -0.01 0.54 -0.06 -0.09 0.00 0.00 0.00 179.25 179.63 2jjh h ARG 342 N 0.75 0.02 -0.41 0.00 2.43 -0.89 0.30 114.38 116.58 2jjh h ARG 342 Ca 0.16 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 2jjh h ARG 342 Cb 0.34 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2jjh h ARG 342 CO 0.01 0.01 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.10 2jjh h ARG 343 N 0.02 0.92 -0.25 0.20 9.65 -0.90 -2.26 114.38 121.76 2jjh h ARG 343 Ca 0.15 -0.44 0.06 0.00 -1.10 0.00 0.00 59.98 58.64 2jjh h ARG 343 Cb 0.22 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 2jjh h ARG 343 CO -0.30 1.10 -0.11 0.82 2.80 0.00 0.00 179.97 184.28 2jjh h ILE 344 N 0.75 0.65 -0.41 1.20 2.04 -0.48 -2.05 117.51 119.20 2jjh h ILE 344 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2jjh h ILE 344 Cb 0.87 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2jjh h ILE 344 CO 0.08 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.43 2jjh h LEU 345 N -0.07 0.40 -0.65 1.44 3.38 -0.14 -1.19 115.31 118.49 2jjh h LEU 345 Ca 0.13 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2jjh h LEU 345 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jjh h LEU 345 CO -0.30 0.28 -0.46 -0.33 0.09 0.00 0.00 178.44 177.72 2jjh h GLU 346 N 0.47 0.50 -0.34 1.13 5.08 -0.86 -1.87 114.58 118.69 2jjh h GLU 346 Ca 0.16 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2jjh h GLU 346 Cb 0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jjh h GLU 346 CO -0.04 0.86 -0.15 0.28 -1.00 0.00 0.00 179.01 178.97 2jjh h VAL 347 N 0.40 1.29 -0.27 3.13 2.07 -0.62 -0.36 116.25 121.89 2jjh h VAL 347 Ca 0.02 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.33 2jjh h VAL 347 Cb 0.97 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2jjh h VAL 347 CO 0.09 0.41 0.03 0.40 0.02 0.00 0.00 177.57 178.52 2jjh h ILE 348 N 0.49 0.85 0.16 4.57 2.04 -1.09 -1.41 117.51 123.10 2jjh h ILE 348 Ca 0.08 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2jjh h ILE 348 Cb 0.68 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2jjh h ILE 348 CO 0.05 0.02 -0.07 -0.08 0.00 0.00 0.00 178.15 178.06 2jjh h GLU 349 N 0.12 -0.20 0.00 2.37 4.81 -1.33 -1.38 114.58 118.97 2jjh h GLU 349 Ca 0.13 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2jjh h GLU 349 Cb 0.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2jjh h GLU 349 CO -0.19 0.11 -0.16 0.00 -0.73 0.00 0.00 179.01 178.04 2jjh h ALA 350 N 0.25 1.71 -0.27 2.92 0.00 -0.97 -2.92 119.26 119.98 2jjh h ALA 350 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jjh h ALA 350 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jjh h ALA 350 CO 0.04 0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.88 2jjh n GLU 351 N -4.31 2.87 -3.99 0.00 1.02 -0.54 -4.99 120.64 110.70 2jjh n GLU 351 Ca -0.02 -2.61 -0.28 0.00 -0.02 0.00 0.00 57.16 54.23 2jjh n GLU 351 Cb 0.23 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 2jjh n GLU 351 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jjh n GLY 352 N -0.26 -0.30 0.24 0.62 0.00 -0.97 -4.88 105.19 99.64 2jjh n GLY 352 Ca 0.18 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.48 2jjh n GLY 352 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jjh h LEU 353 N -1.79 0.00 -0.43 0.99 3.38 -1.54 -2.48 115.31 113.44 2jjh h LEU 353 Ca -0.62 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 2jjh h LEU 353 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2jjh h LEU 353 CO 0.66 0.09 0.21 -0.26 0.09 0.00 0.00 178.44 179.23 2jjh h PHE 354 N 0.00 0.62 -0.07 1.13 0.04 -1.86 -1.33 116.94 115.47 2jjh h PHE 354 Ca -0.00 -0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.59 2jjh h PHE 354 Cb 0.71 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2jjh h PHE 354 CO 0.00 0.50 -0.63 1.49 -0.60 0.00 0.00 178.31 179.07 2jjh h GLU 355 N 0.56 0.25 -0.30 1.51 4.57 -1.71 -2.17 114.58 117.29 2jjh h GLU 355 Ca 0.15 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2jjh h GLU 355 Cb 0.11 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2jjh h GLU 355 CO -0.02 0.80 0.00 -0.09 -1.18 0.00 0.00 179.01 178.52 2jjh h ARG 356 N 0.18 0.46 -0.22 1.92 2.43 -1.32 -0.53 114.38 117.31 2jjh h ARG 356 Ca -0.01 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 2jjh h ARG 356 Cb 1.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2jjh h ARG 356 CO 0.10 0.49 -0.42 0.00 -1.51 0.00 0.00 179.97 178.63 2jjh h ALA 357 N 1.56 0.87 0.27 2.80 0.00 -0.63 -0.53 119.26 123.61 2jjh h ALA 357 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jjh h ALA 357 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jjh h ALA 357 CO 0.01 0.64 -0.13 0.28 0.00 0.00 0.00 179.25 180.05 2jjh h VAL 358 N 0.43 0.77 -0.25 0.00 2.07 -1.01 -0.21 116.25 118.05 2jjh h VAL 358 Ca 0.03 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2jjh h VAL 358 Cb 0.91 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2jjh h VAL 358 CO 0.08 0.12 -0.04 1.56 0.02 0.00 0.00 177.57 179.30 2jjh h GLN 359 N -0.67 0.03 0.00 1.57 1.08 -1.04 -1.11 115.11 114.96 2jjh h GLN 359 Ca -0.04 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2jjh h GLN 359 Cb 0.47 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2jjh h GLN 359 CO 0.06 0.02 -0.23 0.45 -0.95 0.00 0.00 178.83 178.18 2jjh h HIS 360 N 0.03 0.00 -0.04 2.96 3.86 -1.15 -2.90 115.15 117.91 2jjh h HIS 360 Ca 0.12 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.16 2jjh h HIS 360 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2jjh h HIS 360 CO -0.23 0.23 -0.72 0.78 0.86 0.00 0.00 177.93 178.85 2jjh h GLY 361 N 3.39 0.27 1.72 2.45 0.00 -0.74 -1.95 103.07 108.20 2jjh h GLY 361 Ca -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2jjh h GLY 361 CO 0.03 0.34 -0.14 0.50 0.00 0.00 0.00 176.54 177.27 2jjh h LYS 362 N 0.16 0.34 0.03 4.80 1.57 -1.01 -2.36 116.57 120.10 2jjh h LYS 362 Ca -0.02 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 2jjh h LYS 362 Cb 1.28 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.56 2jjh h LYS 362 CO 0.11 0.48 -0.59 -0.92 -0.57 0.00 0.00 179.45 177.96 2jjh h TYR 363 N 0.32 0.54 -0.29 -1.35 3.20 -1.39 -1.95 116.97 116.06 2jjh h TYR 363 Ca 0.06 -0.32 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2jjh h TYR 363 Cb 0.44 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2jjh h TYR 363 CO 0.01 1.15 0.15 1.25 -1.64 0.00 0.00 178.16 179.09 2jjh h LEU 364 N -0.22 0.38 -0.27 2.82 5.85 -1.36 -1.68 115.31 120.82 2jjh h LEU 364 Ca -0.08 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2jjh h LEU 364 Cb 1.34 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2jjh h LEU 364 CO 0.12 0.38 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.33 2jjh h ARG 365 N 0.35 -0.15 -0.54 1.25 9.65 -1.49 -1.61 114.38 121.83 2jjh h ARG 365 Ca 0.10 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 2jjh h ARG 365 Cb 0.09 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 2jjh h ARG 365 CO -0.01 -0.10 0.22 0.00 2.80 0.00 0.00 179.97 182.87 2jjh h ALA 366 N 1.02 0.68 -0.60 2.80 0.00 -1.13 -1.21 119.26 120.81 2jjh h ALA 366 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jjh h ALA 366 Cb 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jjh h ALA 366 CO -0.36 -0.17 0.39 0.00 0.00 0.00 0.00 179.25 179.10 2jjh h ARG 367 N 0.41 0.80 0.00 0.00 2.47 -0.75 -1.35 114.38 115.96 2jjh h ARG 367 Ca 0.26 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.80 2jjh h ARG 367 Cb 0.27 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2jjh h ARG 367 CO -0.24 0.54 -0.59 -0.07 0.56 0.00 0.00 179.97 180.16 2jjh h LEU 368 N 0.82 0.00 -0.24 3.04 3.38 -0.67 -1.96 115.31 119.69 2jjh h LEU 368 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2jjh h LEU 368 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jjh h LEU 368 CO -0.05 0.59 0.08 0.44 0.09 0.00 0.00 178.44 179.60 2jjh h ASP 369 N 0.00 0.34 -0.38 -0.43 3.32 -0.18 -0.61 116.42 118.47 2jjh h ASP 369 Ca -0.01 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 56.92 2jjh h ASP 369 Cb 1.20 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2jjh h ASP 369 CO 0.08 0.43 0.01 -0.33 -1.72 0.00 0.00 179.24 177.72 2jjh h GLU 370 N 0.22 0.12 -0.24 3.56 5.08 -1.22 -1.32 114.58 120.77 2jjh h GLU 370 Ca 0.08 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2jjh h GLU 370 Cb 0.21 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2jjh h GLU 370 CO -0.00 0.08 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.87 2jjh h LEU 371 N 0.12 -0.46 -0.87 1.33 3.38 -1.27 -0.24 115.31 117.30 2jjh h LEU 371 Ca 0.19 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.35 2jjh h LEU 371 Cb 0.25 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2jjh h LEU 371 CO -0.30 -0.18 0.52 0.00 0.09 0.00 0.00 178.44 178.57 2jjh h ALA 372 N 1.05 1.26 0.07 1.53 0.00 -0.54 0.20 119.26 122.83 2jjh h ALA 372 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jjh h ALA 372 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jjh h ALA 372 CO -0.31 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 2jjh h ALA 373 N 1.47 -0.09 0.00 0.00 0.00 -0.89 -2.62 119.26 117.13 2jjh h ALA 373 Ca 0.42 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2jjh h ALA 373 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jjh h ALA 373 CO -0.24 -0.46 -0.31 -0.44 0.00 0.00 0.00 179.25 177.79 2jjh h ASP 374 N -0.26 0.00 -2.22 0.00 3.32 -0.31 -3.33 116.42 113.61 2jjh h ASP 374 Ca -0.01 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 2jjh h ASP 374 Cb 0.23 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.37 2jjh h ASP 374 CO 0.02 0.31 -0.82 0.49 -1.72 0.00 0.00 179.24 177.52 2jjh n PHE 375 N -3.90 1.69 0.12 4.55 3.01 0.63 -4.98 117.46 118.58 2jjh n PHE 375 Ca -0.02 -3.87 -0.02 0.00 1.01 0.00 0.00 57.45 54.56 2jjh n PHE 375 Cb 0.38 -0.41 0.22 0.00 -0.01 0.00 0.00 39.48 39.66 2jjh n PHE 375 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2jjh h PRO 376 N 4.36 0.15 -0.00 -1.08 0.11 -1.58 -0.89 132.00 133.07 2jjh h PRO 376 Ca 0.15 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2jjh h PRO 376 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2jjh h PRO 376 CO 0.64 0.59 -0.17 0.00 -0.21 0.00 0.00 178.00 178.86 2jjh n ALA 377 N -2.46 2.75 -0.03 -0.75 0.00 -1.26 -4.45 120.51 114.31 2jjh n ALA 377 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2jjh n ALA 377 Cb 0.51 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 2jjh n ALA 377 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jjh n VAL 378 N -1.49 0.64 -2.86 0.00 0.31 -0.84 -4.73 118.33 109.37 2jjh n VAL 378 Ca 0.07 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 2jjh n VAL 378 Cb 0.34 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 2jjh n VAL 378 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2jjh s VAL 379 N -2.18 4.41 -0.03 2.52 1.01 -0.40 -4.05 120.40 121.69 2jjh s VAL 379 Ca -0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2jjh s VAL 379 Cb 0.04 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 2jjh s VAL 379 CO 0.14 -1.51 0.30 -0.76 0.00 0.00 0.00 175.10 173.28 2jjh s LEU 380 N 3.74 4.42 -1.16 3.92 1.43 0.22 -4.52 118.68 126.73 2jjh s LEU 380 Ca 0.27 0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 53.96 2jjh s LEU 380 Cb -0.12 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2jjh s LEU 380 CO 0.03 0.32 0.79 -0.67 0.23 0.00 0.00 176.35 177.06 2jjh n ASP 381 N 1.63 -4.68 -4.63 2.29 2.03 -1.26 -0.05 116.55 111.88 2jjh n ASP 381 Ca -0.15 -0.91 -0.43 0.00 0.52 0.00 0.00 54.79 53.83 2jjh n ASP 381 Cb 0.53 -3.93 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 2jjh n ASP 381 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2jjh s PRO 382 N -5.63 3.72 0.20 -0.67 0.04 -1.26 -4.36 135.00 127.04 2jjh s PRO 382 Ca 0.37 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.41 2jjh s PRO 382 Cb -0.11 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 2jjh s PRO 382 CO 0.82 -1.41 -0.10 -0.98 0.04 0.00 0.00 177.00 175.38 2jjh s ARG 383 N 5.01 1.28 0.00 4.56 1.70 -0.98 -4.95 118.95 125.56 2jjh s ARG 383 Ca 0.81 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 2jjh s ARG 383 Cb -0.30 -0.90 0.00 0.00 -0.57 0.00 0.00 34.95 33.17 2jjh s ARG 383 CO 0.33 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 175.05 2jjh n GLY 384 N -0.36 1.58 2.85 3.88 0.00 -1.26 -1.87 105.19 110.01 2jjh n GLY 384 Ca -0.08 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 2jjh n GLY 384 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jjh s ARG 385 N -2.00 0.98 5.65 1.61 3.52 -0.97 -4.98 118.95 122.76 2jjh s ARG 385 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2jjh s ARG 385 Cb 0.00 -1.15 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 2jjh s ARG 385 CO 0.00 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 2jjh n GLY 386 N 4.83 2.60 0.02 8.12 0.00 -1.18 -2.03 105.19 117.55 2jjh n GLY 386 Ca -0.13 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.61 2jjh n GLY 386 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jjh n LEU 387 N 0.00 0.08 -4.48 0.99 4.32 -0.22 -4.39 117.00 113.30 2jjh n LEU 387 Ca 0.00 0.08 -0.43 0.00 -0.02 0.00 0.00 56.01 55.63 2jjh n LEU 387 Cb 0.00 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 41.68 2jjh n LEU 387 CO 0.00 0.01 1.32 -0.32 -1.22 0.00 0.00 177.39 177.18 2jjh s MET 388 N -2.21 3.83 0.19 3.23 1.75 -0.86 -4.51 119.30 120.71 2jjh s MET 388 Ca 0.40 -2.01 0.08 0.00 -1.25 0.00 0.00 55.69 52.91 2jjh s MET 388 Cb 0.21 -5.10 -0.04 0.00 2.84 0.00 0.00 34.83 32.74 2jjh s MET 388 CO 0.40 -1.88 -0.16 0.00 -0.65 0.00 0.00 175.02 172.73 2jjh s ALA 390 N -2.55 0.35 0.25 0.00 0.00 -0.78 -0.23 121.76 118.79 2jjh s ALA 390 Ca 0.20 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 2jjh s ALA 390 Cb -0.03 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 24.21 2jjh s ALA 390 CO 0.07 -0.80 0.38 -0.59 0.00 0.00 0.00 175.76 174.82 2jjh s PHE 391 N -3.55 0.70 0.28 0.00 -0.12 -0.94 -2.33 117.98 112.02 2jjh s PHE 391 Ca 0.28 -1.00 0.10 0.00 -0.05 0.00 0.00 56.93 56.26 2jjh s PHE 391 Cb 0.00 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2jjh s PHE 391 CO 0.14 -0.92 -0.07 -1.12 -0.05 0.00 0.00 175.22 173.20 2jjh s SER 392 N -3.09 4.13 0.28 1.98 0.01 0.93 -1.51 113.70 116.43 2jjh s SER 392 Ca 0.28 -0.84 0.09 0.00 1.31 0.00 0.00 55.95 56.79 2jjh s SER 392 Cb 0.01 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2jjh s SER 392 CO 0.12 -0.02 0.01 -0.76 0.41 0.00 0.00 173.24 172.99 2jjh s LEU 393 N -3.62 3.15 0.10 2.44 1.02 0.25 -0.61 118.68 121.42 2jjh s LEU 393 Ca 0.31 -0.72 -0.23 0.00 0.02 0.00 0.00 54.13 53.51 2jjh s LEU 393 Cb -0.05 -1.65 -0.11 0.00 0.02 0.00 0.00 46.19 44.40 2jjh s LEU 393 CO 0.18 -0.06 1.71 -0.65 0.02 0.00 0.00 176.35 177.55 2jjh h PRO 394 N 1.85 -0.10 -6.58 1.29 0.11 -1.85 -3.45 132.00 123.27 2jjh h PRO 394 Ca -0.44 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 2jjh h PRO 394 Cb 1.25 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.19 2jjh h PRO 394 CO 0.61 -0.07 -0.83 0.95 -0.21 0.00 0.00 178.00 178.46 2jjh s THR 395 N -6.18 2.27 0.55 -1.15 -4.23 -1.26 -5.01 115.64 100.63 2jjh s THR 395 Ca -0.14 -1.97 0.23 0.00 -1.18 0.00 0.00 61.69 58.63 2jjh s THR 395 Cb 0.07 -2.06 0.31 0.00 1.34 0.00 0.00 72.50 72.16 2jjh s THR 395 CO 0.66 -0.10 2.20 0.00 -0.54 0.00 0.00 174.62 176.84 2jjh h THR 396 N 3.34 0.77 -0.37 3.99 1.03 -1.86 -1.48 112.91 118.33 2jjh h THR 396 Ca -0.47 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 65.82 2jjh h THR 396 Cb 1.20 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 69.26 2jjh h THR 396 CO 0.47 0.00 -0.25 0.00 -0.01 0.00 0.00 175.52 175.73 2jjh h ALA 397 N 2.00 0.87 0.17 0.00 0.00 -1.95 -1.74 119.26 118.62 2jjh h ALA 397 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jjh h ALA 397 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jjh h ALA 397 CO -0.00 0.63 -0.08 -0.44 0.00 0.00 0.00 179.25 179.36 2jjh h ASP 398 N 0.64 -0.20 -0.74 0.00 3.32 -1.70 -2.40 116.42 115.35 2jjh h ASP 398 Ca 0.09 -0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.22 2jjh h ASP 398 Cb 0.76 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.25 2jjh h ASP 398 CO 0.06 -0.05 0.21 -0.09 -1.72 0.00 0.00 179.24 177.64 2jjh h ARG 399 N -0.33 0.30 -0.12 3.56 1.12 -1.21 0.29 114.38 118.00 2jjh h ARG 399 Ca -0.02 -0.02 -0.17 0.00 -1.11 0.00 0.00 59.98 58.66 2jjh h ARG 399 Cb 0.26 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2jjh h ARG 399 CO 0.04 0.20 -0.65 -0.44 -3.11 0.00 0.00 179.97 176.01 2jjh h ASP 400 N 0.31 0.52 -0.41 -3.80 3.32 -1.22 -2.52 116.42 112.61 2jjh h ASP 400 Ca 0.41 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2jjh h ASP 400 Cb 0.69 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2jjh h ASP 400 CO -0.48 1.03 0.07 -0.08 -1.72 0.00 0.00 179.24 178.06 2jjh h GLU 401 N 0.33 0.68 -0.70 3.56 4.57 -0.82 -2.18 114.58 120.02 2jjh h GLU 401 Ca -0.01 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2jjh h GLU 401 Cb 1.20 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2jjh h GLU 401 CO 0.11 0.72 0.47 1.25 -1.18 0.00 0.00 179.01 180.38 2jjh h LEU 402 N 0.54 0.80 -0.39 1.64 5.85 -0.81 -0.72 115.31 122.21 2jjh h LEU 402 Ca 0.13 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2jjh h LEU 402 Cb 0.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2jjh h LEU 402 CO 0.01 0.58 -0.06 0.40 -0.34 0.00 0.00 178.44 179.02 2jjh h ILE 403 N 0.94 1.27 -0.96 4.05 2.04 -1.21 -1.03 117.51 122.62 2jjh h ILE 403 Ca 0.26 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 65.01 2jjh h ILE 403 Cb -0.09 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2jjh h ILE 403 CO -0.06 0.38 0.63 0.03 0.00 0.00 0.00 178.15 179.13 2jjh h ARG 404 N 0.54 1.26 -0.54 2.37 3.08 -1.10 -0.92 114.38 119.06 2jjh h ARG 404 Ca 0.10 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2jjh h ARG 404 Cb 0.57 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2jjh h ARG 404 CO 0.03 0.83 -0.11 1.96 -1.07 0.00 0.00 179.97 181.61 2jjh h GLN 405 N 1.29 1.03 -0.35 0.04 1.08 -0.98 -1.45 115.11 115.77 2jjh h GLN 405 Ca 0.35 -0.38 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 2jjh h GLN 405 Cb -0.15 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2jjh h GLN 405 CO -0.08 1.07 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.63 2jjh h LEU 406 N 0.91 0.63 -0.10 1.46 4.07 -0.96 -1.46 115.31 119.86 2jjh h LEU 406 Ca 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2jjh h LEU 406 Cb 0.68 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 2jjh h LEU 406 CO 0.05 0.81 0.05 -0.25 -1.08 0.00 0.00 178.44 178.03 2jjh h TRP 407 N 0.57 0.13 -0.87 1.13 2.91 -0.86 0.16 115.95 119.13 2jjh h TRP 407 Ca 0.09 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.18 2jjh h TRP 407 Cb 0.61 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.16 2jjh h TRP 407 CO 0.03 0.16 0.57 1.96 -1.03 0.00 0.00 178.44 180.12 2jjh h GLN 408 N 0.07 0.91 -0.27 2.65 4.20 -1.15 0.91 115.11 122.43 2jjh h GLN 408 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2jjh h GLN 408 Cb 0.07 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2jjh h GLN 408 CO -0.01 0.60 0.00 0.54 -0.67 0.00 0.00 178.83 179.30 2jjh n ARG 409 N -4.50 1.42 -3.45 1.46 1.74 -0.56 -4.94 116.66 107.83 2jjh n ARG 409 Ca 0.14 -0.56 -0.21 0.00 -0.77 0.00 0.00 57.85 56.45 2jjh n ARG 409 Cb 0.24 -1.20 0.07 0.00 -1.02 0.00 0.00 32.46 30.55 2jjh n ARG 409 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jjh n ALA 410 N -0.03 -1.18 -3.85 7.54 0.00 0.31 -4.94 120.51 118.37 2jjh n ALA 410 Ca 0.05 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2jjh n ALA 410 Cb 0.18 -4.76 -0.16 0.00 0.00 0.00 0.00 19.45 14.71 2jjh n ALA 410 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jjh s VAL 411 N -3.28 2.12 -0.26 0.00 1.01 0.37 -0.56 120.40 119.81 2jjh s VAL 411 Ca 0.49 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2jjh s VAL 411 Cb -0.21 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2jjh s VAL 411 CO 0.64 0.54 0.26 -0.63 0.00 0.00 0.00 175.10 175.91 2jjh s ILE 412 N 1.04 5.27 0.44 2.22 1.01 0.48 -3.54 121.20 128.12 2jjh s ILE 412 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2jjh s ILE 412 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2jjh s ILE 412 CO -0.07 0.24 0.08 0.68 0.00 0.00 0.00 174.94 175.87 2jjh s VAL 413 N 1.64 0.86 -0.08 2.92 -7.23 -1.26 -0.92 120.40 116.33 2jjh s VAL 413 Ca 0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 2jjh s VAL 413 Cb -0.15 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 2jjh s VAL 413 CO 0.09 0.00 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.89 2jjh s LEU 414 N -3.71 2.05 0.73 1.32 1.43 -1.11 -4.91 118.68 114.49 2jjh s LEU 414 Ca 0.18 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2jjh s LEU 414 Cb 0.03 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2jjh s LEU 414 CO 0.10 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 2jjh s PRO 415 N 0.18 2.61 -0.09 1.29 0.04 -1.26 -0.95 135.00 136.83 2jjh s PRO 415 Ca -0.13 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.41 2jjh s PRO 415 Cb -0.16 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.43 2jjh s PRO 415 CO 0.07 -1.24 0.32 0.00 0.04 0.00 0.00 177.00 176.18 2jjh s ALA 416 N -3.22 -0.79 0.00 8.56 0.00 -0.51 -4.80 121.76 121.00 2jjh s ALA 416 Ca 0.59 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2jjh s ALA 416 Cb -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2jjh s ALA 416 CO 0.53 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2jjh n GLY 417 N 2.46 0.65 0.20 0.00 0.00 -1.15 -1.59 105.19 105.77 2jjh n GLY 417 Ca -0.15 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 2jjh n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjh h ALA 418 N -0.81 0.23 0.00 4.61 0.00 -1.94 -3.42 119.26 117.94 2jjh h ALA 418 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 2jjh h ALA 418 Cb 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.63 2jjh h ALA 418 CO 0.00 0.70 -0.71 -0.40 0.00 0.00 0.00 179.25 178.84 2jjh n ASP 419 N -3.87 0.41 -4.47 0.00 5.68 -1.25 -3.91 116.55 109.13 2jjh n ASP 419 Ca -0.09 -1.96 -0.33 0.00 -0.50 0.00 0.00 54.79 51.91 2jjh n ASP 419 Cb 0.83 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 2jjh n ASP 419 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2jjh s THR 420 N 0.00 3.10 -0.19 2.12 2.01 -0.62 -0.58 115.64 121.49 2jjh s THR 420 Ca 0.15 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 2jjh s THR 420 Cb 0.18 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2jjh s THR 420 CO -0.08 0.59 0.00 -0.69 -0.69 0.00 0.00 174.62 173.75 2jjh s VAL 421 N -0.65 4.09 0.07 3.82 1.01 -0.57 -1.43 120.40 126.74 2jjh s VAL 421 Ca 0.10 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2jjh s VAL 421 Cb -0.11 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2jjh s VAL 421 CO 0.01 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 2jjh s ARG 422 N 0.73 2.07 -0.21 2.72 1.70 -0.12 -2.22 118.95 123.63 2jjh s ARG 422 Ca 0.00 -1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 54.19 2jjh s ARG 422 Cb -0.14 -2.24 -0.03 0.00 -0.57 0.00 0.00 34.95 31.97 2jjh s ARG 422 CO 0.02 0.52 0.02 -0.06 -1.08 0.00 0.00 175.30 174.72 2jjh s PHE 423 N -1.07 3.07 -0.57 5.89 0.40 0.68 -2.74 117.98 123.64 2jjh s PHE 423 Ca 0.18 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 2jjh s PHE 423 Cb -0.11 -2.12 0.18 0.00 0.51 0.00 0.00 43.02 41.48 2jjh s PHE 423 CO 0.09 -0.23 0.44 0.54 0.70 0.00 0.00 175.22 176.76 2jjh n ARG 424 N 4.32 1.13 -1.83 0.44 5.12 -0.24 -3.57 116.66 122.04 2jjh n ARG 424 Ca -0.17 -3.90 -0.30 0.00 -1.93 0.00 0.00 57.85 51.55 2jjh n ARG 424 Cb 0.52 -1.99 0.04 0.00 -1.16 0.00 0.00 32.46 29.87 2jjh n ARG 424 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2jjh s PRO 425 N -0.86 3.02 0.56 5.56 0.05 -1.26 -2.23 135.00 139.83 2jjh s PRO 425 Ca 0.29 0.60 -0.19 0.00 0.05 0.00 0.00 61.00 61.75 2jjh s PRO 425 Cb 0.01 -2.03 -0.05 0.00 0.05 0.00 0.00 34.50 32.48 2jjh s PRO 425 CO -0.17 -0.95 1.15 -2.14 0.05 0.00 0.00 177.00 174.94 2jjh s PRO 426 N -5.27 3.26 0.65 0.56 0.02 -1.26 -4.87 135.00 128.09 2jjh s PRO 426 Ca 0.57 1.67 0.25 0.00 0.02 0.00 0.00 61.00 63.51 2jjh s PRO 426 Cb -0.12 -1.99 1.32 0.00 0.02 0.00 0.00 34.50 33.74 2jjh s PRO 426 CO 0.53 -0.94 1.75 -0.07 -0.33 0.00 0.00 177.00 177.94 2jjh h LEU 427 N 1.12 0.00 -0.87 -5.54 3.38 -1.09 0.31 115.31 112.62 2jjh h LEU 427 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jjh h LEU 427 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2jjh h LEU 427 CO 0.56 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 179.39 2jjh n THR 428 N -3.00 0.00 -1.54 0.22 -2.24 -1.26 -4.62 114.28 101.85 2jjh n THR 428 Ca 0.01 -0.23 -0.52 0.00 -2.27 0.00 0.00 64.05 61.05 2jjh n THR 428 Cb 0.58 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 2jjh n THR 428 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jjh n VAL 429 N 0.00 0.55 -2.66 2.28 3.14 0.09 -4.98 118.33 116.76 2jjh n VAL 429 Ca 0.17 -0.14 -0.26 0.00 -2.96 0.00 0.00 64.34 61.16 2jjh n VAL 429 Cb 0.36 -0.54 0.01 0.00 -1.06 0.00 0.00 33.84 32.61 2jjh n VAL 429 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jjh s SER 430 N 0.02 5.90 0.29 6.55 1.04 -1.26 -4.97 113.70 121.27 2jjh s SER 430 Ca 0.80 0.67 0.04 0.00 0.48 0.00 0.00 55.95 57.94 2jjh s SER 430 Cb -0.99 -1.86 0.46 0.00 0.10 0.00 0.00 66.02 63.73 2jjh s SER 430 CO 0.52 -0.78 1.73 0.71 0.98 0.00 0.00 173.24 176.40 2jjh h THR 431 N 0.13 1.27 -0.59 2.02 1.35 -1.97 -1.86 112.91 113.26 2jjh h THR 431 Ca -0.46 -1.31 0.03 0.00 -0.55 0.00 0.00 66.41 64.11 2jjh h THR 431 Cb 1.24 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.08 2jjh h THR 431 CO 0.60 0.41 0.35 0.00 -0.25 0.00 0.00 175.52 176.63 2jjh h ALA 432 N 1.36 0.76 -0.42 6.62 0.00 -1.99 -0.77 119.26 124.82 2jjh h ALA 432 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jjh h ALA 432 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jjh h ALA 432 CO 0.05 0.07 0.23 0.93 0.00 0.00 0.00 179.25 180.54 2jjh h GLU 433 N 0.69 0.59 -0.51 0.00 5.08 -1.81 0.22 114.58 118.85 2jjh h GLU 433 Ca 0.24 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2jjh h GLU 433 Cb 0.05 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 2jjh h GLU 433 CO -0.11 0.47 0.12 0.82 -1.00 0.00 0.00 179.01 179.31 2jjh h ILE 434 N 0.55 0.74 -0.28 3.13 2.04 -1.09 -1.62 117.51 120.98 2jjh h ILE 434 Ca 0.15 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2jjh h ILE 434 Cb 0.06 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2jjh h ILE 434 CO -0.02 0.05 0.00 0.44 0.00 0.00 0.00 178.15 178.62 2jjh h ASP 435 N 0.27 -0.11 -0.92 1.72 3.32 -0.38 -0.81 116.42 119.51 2jjh h ASP 435 Ca 0.25 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.54 2jjh h ASP 435 Cb 0.33 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 2jjh h ASP 435 CO -0.31 -0.02 0.59 0.00 -1.72 0.00 0.00 179.24 177.77 2jjh h ALA 436 N 1.24 1.89 -0.11 3.45 0.00 -0.56 0.41 119.26 125.59 2jjh h ALA 436 Ca 0.13 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jjh h ALA 436 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jjh h ALA 436 CO -0.23 -0.17 -0.20 0.00 0.00 0.00 0.00 179.25 178.65 2jjh h ALA 437 N 1.61 0.17 -0.58 0.00 0.00 -0.23 -2.48 119.26 117.73 2jjh h ALA 437 Ca 0.48 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jjh h ALA 437 Cb 0.87 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2jjh h ALA 437 CO -0.23 0.11 0.27 0.82 0.00 0.00 0.00 179.25 180.21 2jjh h ILE 438 N -0.11 1.21 -0.67 0.00 1.08 -0.77 -1.43 117.51 116.82 2jjh h ILE 438 Ca 0.01 -0.62 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 2jjh h ILE 438 Cb 0.78 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 2jjh h ILE 438 CO 0.04 0.25 0.39 0.00 -0.69 0.00 0.00 178.15 178.14 2jjh h ALA 439 N 1.10 0.89 -0.53 1.87 0.00 -0.21 0.52 119.26 122.90 2jjh h ALA 439 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2jjh h ALA 439 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jjh h ALA 439 CO -0.02 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.52 2jjh h ALA 440 N 1.32 1.35 -0.21 0.00 0.00 -1.02 -1.56 119.26 119.15 2jjh h ALA 440 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jjh h ALA 440 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jjh h ALA 440 CO -0.15 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 179.73 2jjh h VAL 441 N 0.75 1.31 -0.43 0.00 2.07 -0.14 -1.88 116.25 117.92 2jjh h VAL 441 Ca 0.18 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.56 2jjh h VAL 441 Cb 0.18 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2jjh h VAL 441 CO -0.01 0.37 0.08 0.03 0.02 0.00 0.00 177.57 178.06 2jjh h ARG 442 N 0.16 0.21 -0.38 1.57 3.08 -0.77 -0.78 114.38 117.46 2jjh h ARG 442 Ca 0.05 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.16 2jjh h ARG 442 Cb 0.63 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 2jjh h ARG 442 CO 0.04 0.14 -0.19 0.77 -1.07 0.00 0.00 179.97 179.65 2jjh h SER 443 N 0.21 -0.65 0.79 7.04 0.02 -1.24 -3.16 113.55 116.56 2jjh h SER 443 Ca 0.21 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2jjh h SER 443 Cb 0.27 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2jjh h SER 443 CO -0.28 -0.22 -0.57 0.00 -1.14 0.00 0.00 176.83 174.61 2jjh h ALA 444 N 1.13 0.90 -0.00 3.77 0.00 -0.53 -3.38 119.26 121.14 2jjh h ALA 444 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2jjh h ALA 444 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jjh h ALA 444 CO -0.46 0.71 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 2jjh h LEU 445 N 0.00 -0.29 -1.55 0.00 3.38 -1.13 -2.03 115.31 113.69 2jjh h LEU 445 Ca -0.01 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2jjh h LEU 445 Cb 1.12 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2jjh h LEU 445 CO 0.07 -0.14 0.38 -0.65 0.09 0.00 0.00 178.44 178.19 2jjh h PRO 446 N -0.17 0.54 -0.81 1.13 0.11 -1.74 -1.59 132.00 129.46 2jjh h PRO 446 Ca 0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2jjh h PRO 446 Cb 0.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 2jjh h PRO 446 CO -0.10 0.35 0.43 0.28 -0.21 0.00 0.00 178.00 178.75 2jjh h VAL 447 N 0.55 1.24 0.05 3.15 2.07 -1.59 -3.22 116.25 118.51 2jjh h VAL 447 Ca 0.25 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2jjh h VAL 447 Cb 0.28 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2jjh h VAL 447 CO -0.07 0.28 -0.02 1.62 0.02 0.00 0.00 177.57 179.39 2jjh h VAL 448 N 1.14 1.31 0.00 2.57 3.04 -0.90 -3.52 116.25 119.89 2jjh h VAL 448 Ca 0.28 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2jjh h VAL 448 Cb 0.05 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2jjh h VAL 448 CO -0.04 0.34 0.00 0.35 -1.01 0.00 0.00 177.57 177.20