#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja2 n THR 2 N 0.00 0.00 -1.63 2.03 5.66 -1.26 -5.07 114.28 114.01 2ja2 n THR 2 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2ja2 n THR 2 Cb 0.00 -0.32 0.01 0.00 -1.55 0.00 0.00 70.33 68.46 2ja2 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ja2 n ALA 3 N -2.94 0.37 -1.88 1.79 0.00 -1.26 -4.93 120.51 111.66 2ja2 n ALA 3 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2ja2 n ALA 3 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 2ja2 n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ja2 s THR 4 N -1.24 3.40 0.76 0.00 2.01 -1.26 -4.98 115.64 114.33 2ja2 s THR 4 Ca 0.62 1.30 -0.14 0.00 0.31 0.00 0.00 61.69 63.79 2ja2 s THR 4 Cb -0.56 -3.83 0.06 0.00 0.01 0.00 0.00 72.50 68.18 2ja2 s THR 4 CO 0.57 0.27 1.20 -1.61 -0.69 0.00 0.00 174.62 174.36 2ja2 s GLU 5 N -1.00 1.95 -0.29 4.92 2.02 -1.26 -4.97 118.70 120.06 2ja2 s GLU 5 Ca 0.49 1.72 -0.18 0.00 0.02 0.00 0.00 54.97 57.02 2ja2 s GLU 5 Cb -0.33 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 2ja2 s GLU 5 CO 0.41 -1.97 0.52 0.99 0.02 0.00 0.00 175.26 175.22 2ja2 s THR 6 N -2.10 5.05 -0.08 3.63 2.01 -1.26 -4.92 115.64 117.96 2ja2 s THR 6 Ca 0.73 0.71 0.03 0.00 0.31 0.00 0.00 61.69 63.47 2ja2 s THR 6 Cb -0.28 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.37 2ja2 s THR 6 CO 0.48 -0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.55 2ja2 s VAL 7 N 2.35 1.43 -0.11 3.82 1.01 -1.26 -4.90 120.40 122.75 2ja2 s VAL 7 Ca 0.20 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2ja2 s VAL 7 Cb -0.15 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.98 2ja2 s VAL 7 CO 0.11 0.42 -0.02 -0.13 0.00 0.00 0.00 175.10 175.48 2ja2 s ARG 8 N 0.58 0.91 0.28 2.72 0.52 -1.26 -1.75 118.95 120.95 2ja2 s ARG 8 Ca -0.16 -0.10 0.11 0.00 -0.52 0.00 0.00 55.73 55.06 2ja2 s ARG 8 Cb -0.16 -1.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.89 2ja2 s ARG 8 CO 0.05 -0.35 -0.17 0.14 0.02 0.00 0.00 175.30 175.00 2ja2 s VAL 9 N 1.86 2.29 0.20 3.52 -7.23 -0.56 -0.72 120.40 119.77 2ja2 s VAL 9 Ca 0.04 -2.33 0.08 0.00 -1.81 0.00 0.00 61.98 57.96 2ja2 s VAL 9 Cb -0.13 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2ja2 s VAL 9 CO -0.07 -0.39 -0.15 0.00 -0.31 0.00 0.00 175.10 174.19 2ja2 s ARG 10 N -3.56 1.32 -0.18 4.82 3.03 -1.26 -1.29 118.95 121.83 2ja2 s ARG 10 Ca 0.29 -1.57 0.01 0.00 2.03 0.00 0.00 55.73 56.49 2ja2 s ARG 10 Cb -0.03 -1.13 0.04 0.00 -1.03 0.00 0.00 34.95 32.80 2ja2 s ARG 10 CO 0.14 0.19 -0.12 0.12 -1.13 0.00 0.00 175.30 174.50 2ja2 s PHE 11 N -2.90 2.36 -0.49 5.89 5.36 0.00 -4.78 117.98 123.42 2ja2 s PHE 11 Ca 0.22 -1.49 0.08 0.00 -0.96 0.00 0.00 56.93 54.78 2ja2 s PHE 11 Cb -0.01 -1.63 0.35 0.00 -0.34 0.00 0.00 43.02 41.38 2ja2 s PHE 11 CO 0.07 -0.72 0.86 0.00 -1.46 0.00 0.00 175.22 173.96 2ja2 s PRO 13 N -3.04 3.12 -0.01 0.00 0.04 -1.21 -4.48 135.00 129.41 2ja2 s PRO 13 Ca 0.45 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 2ja2 s PRO 13 Cb 0.31 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 2ja2 s PRO 13 CO -0.11 -0.97 0.42 -1.12 0.04 0.00 0.00 177.00 175.26 2ja2 s SER 14 N -2.89 6.80 -1.36 6.66 0.01 -1.26 -1.25 113.70 120.41 2ja2 s SER 14 Ca 0.63 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 2ja2 s SER 14 Cb -0.17 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 63.89 2ja2 s SER 14 CO 0.41 0.28 1.95 -0.81 0.41 0.00 0.00 173.24 175.48 2ja2 n PRO 15 N 2.08 3.13 -4.15 12.44 -0.04 -1.26 -4.84 135.00 142.36 2ja2 n PRO 15 Ca -0.13 -3.08 -0.21 0.00 -0.04 0.00 0.00 63.50 60.04 2ja2 n PRO 15 Cb 0.52 -3.26 -0.17 0.00 -0.04 0.00 0.00 33.50 30.55 2ja2 n PRO 15 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ja2 s THR 16 N 2.84 0.60 0.00 0.52 2.01 -1.26 -2.13 115.64 118.22 2ja2 s THR 16 Ca 0.47 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2ja2 s THR 16 Cb 0.09 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2ja2 s THR 16 CO -0.02 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2ja2 n GLY 17 N 4.18 -0.45 3.96 4.40 0.00 -1.26 -4.86 105.19 111.16 2ja2 n GLY 17 Ca -0.22 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 2ja2 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ja2 s THR 18 N 0.00 4.93 -0.45 2.61 -4.23 -1.26 -4.71 115.64 112.53 2ja2 s THR 18 Ca 0.00 -1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 2ja2 s THR 18 Cb 0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 2ja2 s THR 18 CO 0.00 -0.30 1.86 -2.84 -0.54 0.00 0.00 174.62 172.81 2ja2 s PRO 19 N -4.00 2.98 0.11 3.99 0.02 -1.26 -4.94 135.00 131.90 2ja2 s PRO 19 Ca 0.36 1.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.18 2ja2 s PRO 19 Cb -0.09 -4.30 -0.08 0.00 0.02 0.00 0.00 34.50 30.05 2ja2 s PRO 19 CO 0.29 -2.29 1.47 -1.58 -0.33 0.00 0.00 177.00 174.56 2ja2 s HIS 20 N 8.09 3.07 0.50 6.54 2.46 -1.25 -0.89 115.29 133.79 2ja2 s HIS 20 Ca 0.76 0.77 0.17 0.00 0.47 0.00 0.00 55.06 57.24 2ja2 s HIS 20 Cb -0.18 -3.78 1.22 0.00 -0.13 0.00 0.00 32.58 29.71 2ja2 s HIS 20 CO 0.28 -2.86 2.07 -0.39 -2.47 0.00 0.00 174.74 171.37 2ja2 h VAL 21 N 4.30 0.92 -0.70 0.89 -1.51 -0.92 -0.19 116.25 119.04 2ja2 h VAL 21 Ca -0.42 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2ja2 h VAL 21 Cb 1.20 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 2ja2 h VAL 21 CO 0.89 0.02 0.42 1.23 -1.23 0.00 0.00 177.57 178.90 2ja2 h GLY 22 N 0.13 1.01 1.38 5.19 0.00 -1.93 0.54 103.07 109.39 2ja2 h GLY 22 Ca 0.14 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 2ja2 h GLY 22 CO -0.02 0.41 -0.51 1.41 0.00 0.00 0.00 176.54 177.83 2ja2 h LEU 23 N 0.95 0.72 -0.70 3.11 3.38 -1.50 -2.28 115.31 119.00 2ja2 h LEU 23 Ca 0.25 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2ja2 h LEU 23 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2ja2 h LEU 23 CO -0.05 1.11 -0.28 0.58 0.09 0.00 0.00 178.44 179.89 2ja2 h VAL 24 N 0.51 1.28 -0.43 1.22 2.07 -0.96 0.11 116.25 120.06 2ja2 h VAL 24 Ca 0.02 -1.40 0.07 0.00 0.82 0.00 0.00 66.70 66.21 2ja2 h VAL 24 Cb 1.07 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2ja2 h VAL 24 CO 0.10 0.46 0.08 -0.09 0.02 0.00 0.00 177.57 178.14 2ja2 h ARG 25 N 0.60 0.21 -0.68 1.57 1.12 -0.77 -0.78 114.38 115.65 2ja2 h ARG 25 Ca 0.07 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.88 2ja2 h ARG 25 Cb 0.78 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.67 2ja2 h ARG 25 CO 0.06 0.14 0.23 1.15 -3.11 0.00 0.00 179.97 178.44 2ja2 h THR 26 N 0.21 1.25 -0.34 0.20 2.02 -0.78 -0.34 112.91 115.14 2ja2 h THR 26 Ca 0.21 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.61 2ja2 h THR 26 Cb 0.27 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2ja2 h THR 26 CO -0.28 0.33 -0.04 0.00 0.37 0.00 0.00 175.52 175.90 2ja2 h ALA 27 N 1.10 0.27 -0.65 6.16 0.00 -0.58 -1.58 119.26 123.98 2ja2 h ALA 27 Ca 0.22 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2ja2 h ALA 27 Cb 0.28 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2ja2 h ALA 27 CO -0.01 -0.43 0.19 1.25 0.00 0.00 0.00 179.25 180.25 2ja2 h LEU 28 N 0.05 0.95 -0.60 0.00 5.85 -0.63 0.53 115.31 121.47 2ja2 h LEU 28 Ca 0.16 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2ja2 h LEU 28 Cb 0.24 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2ja2 h LEU 28 CO -0.31 0.92 0.27 -0.26 -0.34 0.00 0.00 178.44 178.71 2ja2 h PHE 29 N 0.94 0.89 -0.27 1.25 -1.00 -0.85 0.23 116.94 118.13 2ja2 h PHE 29 Ca 0.21 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 2ja2 h PHE 29 Cb 0.31 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2ja2 h PHE 29 CO 0.02 0.69 0.15 -0.91 -1.61 0.00 0.00 178.31 176.65 2ja2 h ASN 30 N 0.82 0.34 -0.10 2.17 2.35 -1.02 -1.11 115.58 119.03 2ja2 h ASN 30 Ca 0.20 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2ja2 h ASN 30 Cb 0.16 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2ja2 h ASN 30 CO -0.02 0.32 0.03 -0.25 -1.65 0.00 0.00 177.43 175.87 2ja2 h TRP 31 N 0.32 0.15 -0.87 1.19 7.01 -0.60 -1.15 115.95 122.00 2ja2 h TRP 31 Ca 0.10 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2ja2 h TRP 31 Cb 0.06 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 2ja2 h TRP 31 CO -0.03 0.28 0.46 0.00 -2.79 0.00 0.00 178.44 176.35 2ja2 h ALA 32 N 0.86 1.12 -0.34 2.65 0.00 -0.48 -0.18 119.26 122.88 2ja2 h ALA 32 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2ja2 h ALA 32 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ja2 h ALA 32 CO -0.00 0.65 -0.22 -0.92 0.00 0.00 0.00 179.25 178.76 2ja2 h TYR 33 N 1.23 0.88 -0.19 0.00 3.20 -0.96 0.90 116.97 122.02 2ja2 h TYR 33 Ca 0.30 -0.23 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2ja2 h TYR 33 Cb 0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2ja2 h TYR 33 CO 0.01 0.97 -0.03 0.00 -1.64 0.00 0.00 178.16 177.48 2ja2 h ALA 34 N 0.77 0.14 -0.28 1.82 0.00 -0.97 -2.46 119.26 118.27 2ja2 h ALA 34 Ca 0.07 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2ja2 h ALA 34 Cb 0.77 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2ja2 h ALA 34 CO 0.06 -0.46 -0.30 0.00 0.00 0.00 0.00 179.25 178.54 2ja2 h ARG 35 N 0.02 0.59 -0.98 0.00 2.47 -0.80 0.14 114.38 115.83 2ja2 h ARG 35 Ca 0.09 -0.25 0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2ja2 h ARG 35 Cb 0.13 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.36 2ja2 h ARG 35 CO -0.18 0.82 0.62 1.25 0.56 0.00 0.00 179.97 183.05 2ja2 h HIS 36 N 0.51 1.14 -0.33 3.04 2.76 -0.73 -3.13 115.15 118.42 2ja2 h HIS 36 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2ja2 h HIS 36 Cb 0.78 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2ja2 h HIS 36 CO 0.03 0.55 0.00 0.25 -1.30 0.00 0.00 177.93 177.46 2ja2 n THR 37 N -4.56 0.53 -1.46 6.26 -2.24 -0.77 -4.94 114.28 107.10 2ja2 n THR 37 Ca 0.16 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 2ja2 n THR 37 Cb 0.23 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 2ja2 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ja2 n GLY 38 N 1.17 1.40 1.11 3.38 0.00 -0.08 -4.83 105.19 107.34 2ja2 n GLY 38 Ca 0.16 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2ja2 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja2 n GLY 39 N -1.21 -0.35 3.39 -0.02 0.00 0.30 -4.95 105.19 102.35 2ja2 n GLY 39 Ca -0.14 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2ja2 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ja2 s THR 40 N -1.33 3.00 -0.32 2.61 2.01 -0.72 -4.61 115.64 116.28 2ja2 s THR 40 Ca 0.20 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2ja2 s THR 40 Cb -0.01 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.28 2ja2 s THR 40 CO 0.14 0.54 0.13 0.12 -0.69 0.00 0.00 174.62 174.86 2ja2 s PHE 41 N 0.06 3.19 -0.22 4.92 5.36 -1.26 -1.50 117.98 128.53 2ja2 s PHE 41 Ca -0.05 -0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 54.90 2ja2 s PHE 41 Cb -0.15 -2.32 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 2ja2 s PHE 41 CO 0.04 -0.57 0.21 0.08 -1.46 0.00 0.00 175.22 173.52 2ja2 s VAL 42 N 1.53 5.34 -0.33 3.12 1.01 -0.41 -1.09 120.40 129.57 2ja2 s VAL 42 Ca 0.03 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 2ja2 s VAL 42 Cb -0.18 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2ja2 s VAL 42 CO 0.04 0.36 0.15 0.12 0.00 0.00 0.00 175.10 175.77 2ja2 s PHE 43 N 0.86 3.20 -0.12 5.22 5.36 0.12 -0.82 117.98 131.81 2ja2 s PHE 43 Ca 0.10 -0.85 0.02 0.00 -0.96 0.00 0.00 56.93 55.24 2ja2 s PHE 43 Cb -0.13 -2.36 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 2ja2 s PHE 43 CO 0.03 -0.57 -0.19 0.50 -1.46 0.00 0.00 175.22 173.53 2ja2 s ARG 44 N 1.55 3.19 -0.27 10.12 3.52 -0.33 -4.05 118.95 132.67 2ja2 s ARG 44 Ca 0.03 -0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 54.68 2ja2 s ARG 44 Cb -0.18 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 2ja2 s ARG 44 CO 0.05 0.18 0.39 0.42 -0.81 0.00 0.00 175.30 175.53 2ja2 s ILE 45 N 0.39 5.16 -1.15 4.11 -1.09 -0.40 -3.36 121.20 124.86 2ja2 s ILE 45 Ca -0.15 0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 58.77 2ja2 s ILE 45 Cb -0.17 -3.72 0.25 0.00 -1.58 0.00 0.00 42.46 37.24 2ja2 s ILE 45 CO 0.07 0.13 1.25 -0.62 -1.23 0.00 0.00 174.94 174.55 2ja2 n GLU 46 N 5.37 3.58 -2.74 2.79 1.02 -0.38 -1.50 120.64 128.78 2ja2 n GLU 46 Ca -0.08 -4.28 -0.31 0.00 -0.02 0.00 0.00 57.16 52.47 2ja2 n GLU 46 Cb 0.51 -2.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 2ja2 n GLU 46 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ja2 n ASP 47 N 3.35 5.29 -1.04 1.62 5.75 -1.26 -4.29 116.55 125.96 2ja2 n ASP 47 Ca 0.28 -3.70 0.07 0.00 -0.01 0.00 0.00 54.79 51.42 2ja2 n ASP 47 Cb 0.39 -0.69 0.23 0.00 -1.03 0.00 0.00 41.12 40.02 2ja2 n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2ja2 n THR 48 N -0.27 0.97 -4.02 2.12 -2.24 -1.26 -4.02 114.28 105.57 2ja2 n THR 48 Ca 0.37 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 2ja2 n THR 48 Cb 0.40 0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 2ja2 n THR 48 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ja2 s ASP 49 N -0.87 4.74 0.47 3.42 2.15 -1.26 -4.99 116.67 120.34 2ja2 s ASP 49 Ca 0.34 -2.12 0.15 0.00 0.43 0.00 0.00 52.55 51.34 2ja2 s ASP 49 Cb 0.20 -1.61 1.09 0.00 -0.30 0.00 0.00 42.92 42.30 2ja2 s ASP 49 CO 0.19 -0.37 2.05 0.00 -0.17 0.00 0.00 175.17 176.87 2ja2 h ALA 50 N 7.63 1.80 -0.14 3.66 0.00 -1.89 0.24 119.26 130.56 2ja2 h ALA 50 Ca -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ja2 h ALA 50 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ja2 h ALA 50 CO 0.52 0.15 0.06 1.96 0.00 0.00 0.00 179.25 181.93 2ja2 h GLN 51 N 0.01 0.20 0.03 0.00 4.20 -2.01 -3.32 115.11 114.23 2ja2 h GLN 51 Ca 0.00 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 2ja2 h GLN 51 Cb 0.20 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2ja2 h GLN 51 CO 0.01 0.29 -1.66 0.00 -0.67 0.00 0.00 178.83 176.80 2ja2 h ARG 52 N 0.07 0.07 -7.12 1.46 3.08 -1.92 -3.48 114.38 106.53 2ja2 h ARG 52 Ca 0.05 -0.11 -0.49 0.00 0.07 0.00 0.00 59.98 59.49 2ja2 h ARG 52 Cb 0.16 0.04 0.06 0.00 0.08 0.00 0.00 29.97 30.31 2ja2 h ARG 52 CO -0.00 0.72 0.40 -0.51 -1.07 0.00 0.00 179.97 179.50 2ja2 s ASP 53 N -6.39 5.78 -0.08 7.04 1.01 0.81 -4.58 116.67 120.25 2ja2 s ASP 53 Ca -0.07 2.01 -0.20 0.00 0.71 0.00 0.00 52.55 55.00 2ja2 s ASP 53 Cb 0.08 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.49 2ja2 s ASP 53 CO 0.82 -1.17 0.47 -0.94 0.21 0.00 0.00 175.17 174.55 2ja2 s SER 54 N -2.17 -0.42 0.33 0.27 1.04 -0.90 -4.86 113.70 106.99 2ja2 s SER 54 Ca 0.69 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.74 2ja2 s SER 54 Cb -0.20 0.59 0.59 0.00 0.10 0.00 0.00 66.02 67.10 2ja2 s SER 54 CO 0.30 -0.40 1.79 -0.33 0.98 0.00 0.00 173.24 175.57 2ja2 h GLU 55 N 4.11 0.23 -0.73 4.02 4.39 -1.98 -1.76 114.58 122.87 2ja2 h GLU 55 Ca -0.28 -0.09 0.10 0.00 0.34 0.00 0.00 59.36 59.43 2ja2 h GLU 55 Cb 1.17 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.73 2ja2 h GLU 55 CO 0.33 0.52 0.36 1.49 -1.16 0.00 0.00 179.01 180.55 2ja2 h GLU 56 N 0.21 0.59 -0.05 2.33 4.81 -1.97 -1.40 114.58 119.10 2ja2 h GLU 56 Ca 0.03 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 2ja2 h GLU 56 Cb 0.64 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2ja2 h GLU 56 CO 0.05 0.39 -0.83 0.77 -0.73 0.00 0.00 179.01 178.66 2ja2 h SER 57 N 0.61 0.57 0.30 1.04 0.02 -1.66 -1.72 113.55 112.71 2ja2 h SER 57 Ca 0.36 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2ja2 h SER 57 Cb 0.39 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2ja2 h SER 57 CO -0.28 1.18 -0.18 0.22 -1.14 0.00 0.00 176.83 176.64 2ja2 h TYR 58 N 0.29 -0.46 -0.34 3.45 3.20 -1.17 -1.33 116.97 120.62 2ja2 h TYR 58 Ca -0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2ja2 h TYR 58 Cb 1.43 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 2ja2 h TYR 58 CO 0.06 -0.28 0.19 -0.07 -1.64 0.00 0.00 178.16 176.42 2ja2 h LEU 59 N -0.46 0.40 -0.84 2.82 3.38 -1.15 -2.07 115.31 117.40 2ja2 h LEU 59 Ca -0.03 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2ja2 h LEU 59 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2ja2 h LEU 59 CO 0.04 0.32 -0.53 0.00 0.09 0.00 0.00 178.44 178.36 2ja2 h ALA 60 N 1.75 1.03 -0.36 1.53 0.00 -0.95 -0.76 119.26 121.49 2ja2 h ALA 60 Ca 0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2ja2 h ALA 60 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ja2 h ALA 60 CO -0.02 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.69 2ja2 h LEU 61 N 0.10 0.75 -0.52 0.00 3.38 -0.55 0.34 115.31 118.81 2ja2 h LEU 61 Ca -0.00 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ja2 h LEU 61 Cb 0.97 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2ja2 h LEU 61 CO 0.08 0.97 0.32 -0.07 0.09 0.00 0.00 178.44 179.83 2ja2 h LEU 62 N 0.53 0.63 -0.73 1.67 4.07 -1.28 -1.98 115.31 118.22 2ja2 h LEU 62 Ca 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 2ja2 h LEU 62 Cb 0.67 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 2ja2 h LEU 62 CO 0.05 0.49 0.35 -0.78 -1.08 0.00 0.00 178.44 177.47 2ja2 h ASP 63 N 0.70 0.95 -0.02 -0.43 3.58 -1.03 -1.89 116.42 118.28 2ja2 h ASP 63 Ca 0.19 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2ja2 h ASP 63 Cb -0.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2ja2 h ASP 63 CO -0.04 0.81 -0.03 0.00 -2.88 0.00 0.00 179.24 177.10 2ja2 h ALA 64 N 1.17 -0.02 -0.50 -0.78 0.00 -0.59 0.14 119.26 118.69 2ja2 h ALA 64 Ca 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2ja2 h ALA 64 Cb 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ja2 h ALA 64 CO -0.03 -0.52 0.08 -0.07 0.00 0.00 0.00 179.25 178.71 2ja2 h LEU 65 N -0.05 0.79 -0.44 0.00 3.38 -1.26 -1.40 115.31 116.33 2ja2 h LEU 65 Ca 0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2ja2 h LEU 65 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2ja2 h LEU 65 CO -0.05 0.85 0.09 0.03 0.09 0.00 0.00 178.44 179.45 2ja2 h ARG 66 N 0.71 0.71 -0.67 1.13 3.08 -1.06 -0.70 114.38 117.57 2ja2 h ARG 66 Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ja2 h ARG 66 Cb 0.39 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2ja2 h ARG 66 CO 0.01 0.73 0.43 2.35 -1.07 0.00 0.00 179.97 182.42 2ja2 h TRP 67 N 0.58 0.85 0.00 3.04 7.01 -0.62 -1.50 115.95 125.31 2ja2 h TRP 67 Ca 0.13 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2ja2 h TRP 67 Cb 0.35 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2ja2 h TRP 67 CO 0.02 0.55 0.00 1.28 -2.79 0.00 0.00 178.44 177.50 2ja2 n LEU 68 N -4.42 0.61 0.00 0.65 4.77 -0.54 -4.74 117.00 113.32 2ja2 n LEU 68 Ca 0.07 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2ja2 n LEU 68 Cb 0.05 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2ja2 n LEU 68 CO 0.36 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2ja2 n GLY 69 N 1.28 0.56 3.36 -0.72 0.00 -0.57 -4.87 105.19 104.23 2ja2 n GLY 69 Ca 0.06 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 2ja2 n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja2 s LEU 70 N 0.00 6.29 0.39 0.99 1.43 -0.37 -5.01 118.68 122.39 2ja2 s LEU 70 Ca 0.00 -2.96 -0.24 0.00 -1.03 0.00 0.00 54.13 49.90 2ja2 s LEU 70 Cb 0.00 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.88 2ja2 s LEU 70 CO 0.00 -0.54 1.02 1.51 0.23 0.00 0.00 176.35 178.56 2ja2 s ASP 71 N 2.09 6.90 -0.01 2.29 -4.77 -1.26 -4.64 116.67 117.27 2ja2 s ASP 71 Ca 0.26 1.96 0.02 0.00 -3.30 0.00 0.00 52.55 51.48 2ja2 s ASP 71 Cb -0.09 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 2ja2 s ASP 71 CO -0.08 -0.38 -0.01 -1.66 0.70 0.00 0.00 175.17 173.74 2ja2 s TRP 72 N -1.70 3.05 0.09 2.11 -2.14 -1.26 -4.98 118.94 114.10 2ja2 s TRP 72 Ca 0.57 0.07 0.02 0.00 2.66 0.00 0.00 56.10 59.41 2ja2 s TRP 72 Cb -0.20 -1.67 -0.25 0.00 -3.10 0.00 0.00 33.47 28.26 2ja2 s TRP 72 CO 0.25 0.45 1.16 -0.44 -2.66 0.00 0.00 176.95 175.71 2ja2 h ASP 73 N 4.42 0.20 -3.90 -2.66 3.32 -1.51 -3.46 116.42 112.83 2ja2 h ASP 73 Ca -0.49 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.12 2ja2 h ASP 73 Cb 1.18 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.39 2ja2 h ASP 73 CO 0.57 1.18 -0.68 -1.61 -1.72 0.00 0.00 179.24 176.97 2ja2 s GLU 74 N -2.68 0.07 0.00 3.56 2.02 -1.12 -4.83 118.70 115.73 2ja2 s GLU 74 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2ja2 s GLU 74 Cb 0.08 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.34 2ja2 s GLU 74 CO 0.85 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2ja2 n GLY 75 N 2.87 -0.14 3.71 -1.39 0.00 -0.41 -0.70 105.19 109.14 2ja2 n GLY 75 Ca -0.14 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 2ja2 n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ja2 n PRO 76 N 0.00 1.76 -0.11 1.61 -0.02 -1.26 -0.17 135.00 136.81 2ja2 n PRO 76 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ja2 n PRO 76 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2ja2 n PRO 76 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ja2 n GLU 77 N -0.49 0.00 -0.01 -0.52 1.02 -1.26 -4.51 120.64 114.87 2ja2 n GLU 77 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2ja2 n GLU 77 Cb 0.42 -3.22 -0.04 0.00 -0.02 0.00 0.00 31.44 28.58 2ja2 n GLU 77 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2ja2 n VAL 78 N -2.00 0.16 -4.30 2.62 3.14 -1.08 -5.14 118.33 111.74 2ja2 n VAL 78 Ca 0.00 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2ja2 n VAL 78 Cb 0.00 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 2ja2 n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ja2 n GLY 79 N 2.44 0.01 0.00 7.55 0.00 0.76 -4.84 105.19 111.11 2ja2 n GLY 79 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2ja2 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja2 n GLY 80 N 0.00 3.35 0.12 -0.02 0.00 -1.26 -1.29 105.19 106.10 2ja2 n GLY 80 Ca 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.41 2ja2 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ja2 n PRO 81 N -1.92 0.20 -1.02 1.61 -0.04 -1.26 -3.71 135.00 128.86 2ja2 n PRO 81 Ca 0.00 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2ja2 n PRO 81 Cb 0.00 -1.85 0.15 0.00 -0.04 0.00 0.00 33.50 31.76 2ja2 n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ja2 n TYR 82 N -2.22 0.39 -2.04 0.54 4.01 -1.26 -5.06 117.16 111.51 2ja2 n TYR 82 Ca 0.03 -1.43 -0.18 0.00 -0.16 0.00 0.00 57.90 56.15 2ja2 n TYR 82 Cb 0.26 -0.24 0.11 0.00 -0.31 0.00 0.00 39.34 39.16 2ja2 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ja2 n GLY 83 N -0.76 -0.41 3.65 2.72 0.00 -1.24 -4.80 105.19 104.35 2ja2 n GLY 83 Ca 0.19 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2ja2 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ja2 s PRO 84 N -4.64 0.72 0.00 1.61 0.04 -1.26 -5.08 135.00 126.39 2ja2 s PRO 84 Ca 0.49 1.06 0.15 0.00 0.04 0.00 0.00 61.00 62.74 2ja2 s PRO 84 Cb -0.02 -1.73 0.42 0.00 0.04 0.00 0.00 34.50 33.22 2ja2 s PRO 84 CO 0.33 -2.68 1.35 0.66 0.04 0.00 0.00 177.00 176.70 2ja2 n TYR 85 N -4.22 0.63 -4.20 0.56 4.01 -1.26 -4.83 117.16 107.85 2ja2 n TYR 85 Ca 0.08 -0.48 -0.34 0.00 -0.16 0.00 0.00 57.90 57.00 2ja2 n TYR 85 Cb 0.54 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.44 2ja2 n TYR 85 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2ja2 s ARG 86 N -1.01 3.81 0.46 -0.72 0.52 -1.26 -1.28 118.95 119.46 2ja2 s ARG 86 Ca 0.32 -0.43 0.20 0.00 -0.52 0.00 0.00 55.73 55.31 2ja2 s ARG 86 Cb 0.17 -3.06 1.12 0.00 0.52 0.00 0.00 34.95 33.70 2ja2 s ARG 86 CO 0.22 0.27 1.98 1.96 0.02 0.00 0.00 175.30 179.76 2ja2 h GLN 87 N 6.64 0.00 0.00 3.54 4.20 -1.59 -0.85 115.11 127.05 2ja2 h GLN 87 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2ja2 h GLN 87 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2ja2 h GLN 87 CO 0.67 0.20 0.00 -1.13 -0.67 0.00 0.00 178.83 177.90 2ja2 n SER 88 N -3.93 0.32 -0.53 1.46 3.41 -1.26 -1.96 113.62 111.14 2ja2 n SER 88 Ca -0.02 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 2ja2 n SER 88 Cb 0.29 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.59 2ja2 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja2 n GLN 89 N -1.92 1.46 -0.60 4.33 1.13 -0.33 -4.53 117.38 116.92 2ja2 n GLN 89 Ca -0.00 -1.19 0.05 0.00 -1.94 0.00 0.00 57.00 53.93 2ja2 n GLN 89 Cb 0.05 -1.29 0.28 0.00 0.11 0.00 0.00 30.24 29.38 2ja2 n GLN 89 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ja2 n ARG 90 N 0.47 3.12 -0.29 -1.09 1.74 -0.83 -4.71 116.66 115.07 2ja2 n ARG 90 Ca 0.08 -2.95 0.10 0.00 -0.77 0.00 0.00 57.85 54.31 2ja2 n ARG 90 Cb 0.37 -1.93 0.26 0.00 -1.02 0.00 0.00 32.46 30.14 2ja2 n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ja2 h ALA 91 N 2.05 1.29 0.00 7.54 0.00 -1.80 -0.90 119.26 127.44 2ja2 h ALA 91 Ca 0.06 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ja2 h ALA 91 Cb 1.63 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2ja2 h ALA 91 CO 0.33 -0.27 -0.49 1.49 0.00 0.00 0.00 179.25 180.31 2ja2 h GLU 92 N 0.43 0.00 -0.29 0.00 4.81 -1.97 -2.24 114.58 115.33 2ja2 h GLU 92 Ca 0.50 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.68 2ja2 h GLU 92 Cb 0.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2ja2 h GLU 92 CO -0.48 0.49 -0.02 0.82 -0.73 0.00 0.00 179.01 179.09 2ja2 h ILE 93 N 0.00 1.27 -0.55 2.32 2.04 -1.54 -2.69 117.51 118.36 2ja2 h ILE 93 Ca -0.00 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 2ja2 h ILE 93 Cb 0.94 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2ja2 h ILE 93 CO 0.06 0.32 -0.02 1.88 0.00 0.00 0.00 178.15 180.39 2ja2 h TYR 94 N 0.31 1.03 -0.55 1.37 0.05 -1.17 -1.11 116.97 116.90 2ja2 h TYR 94 Ca 0.08 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 2ja2 h TYR 94 Cb 0.47 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2ja2 h TYR 94 CO 0.04 0.93 0.24 0.00 -1.05 0.00 0.00 178.16 178.33 2ja2 h ARG 95 N 0.87 0.81 -0.47 4.88 2.47 -1.40 -0.22 114.38 121.32 2ja2 h ARG 95 Ca 0.16 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2ja2 h ARG 95 Cb 0.54 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 2ja2 h ARG 95 CO 0.03 0.69 0.28 0.22 0.56 0.00 0.00 179.97 181.74 2ja2 h ASP 96 N 0.75 0.44 -0.59 7.04 3.58 -1.22 -0.31 116.42 126.11 2ja2 h ASP 96 Ca 0.19 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2ja2 h ASP 96 Cb 0.16 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2ja2 h ASP 96 CO -0.02 0.31 0.00 0.58 -2.88 0.00 0.00 179.24 177.23 2ja2 h VAL 97 N 0.55 1.27 -0.14 2.25 2.07 -0.64 -1.33 116.25 120.28 2ja2 h VAL 97 Ca 0.19 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2ja2 h VAL 97 Cb 0.03 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2ja2 h VAL 97 CO -0.09 0.41 0.06 -0.07 0.02 0.00 0.00 177.57 177.90 2ja2 h LEU 98 N 0.93 0.19 -0.67 2.57 3.38 -0.81 -0.41 115.31 120.49 2ja2 h LEU 98 Ca 0.17 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2ja2 h LEU 98 Cb 0.55 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2ja2 h LEU 98 CO 0.03 0.30 0.24 0.00 0.09 0.00 0.00 178.44 179.10 2ja2 h ALA 99 N 0.90 0.89 -0.51 1.53 0.00 -0.79 0.34 119.26 121.62 2ja2 h ALA 99 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ja2 h ALA 99 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ja2 h ALA 99 CO -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 179.25 178.96 2ja2 h ARG 100 N 0.40 0.94 -0.70 0.00 3.08 -0.78 -1.72 114.38 115.60 2ja2 h ARG 100 Ca 0.35 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2ja2 h ARG 100 Cb 0.49 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2ja2 h ARG 100 CO -0.36 1.00 0.36 -0.07 -1.07 0.00 0.00 179.97 179.82 2ja2 h LEU 101 N 0.81 0.89 -0.94 3.04 3.38 -0.44 -2.48 115.31 119.57 2ja2 h LEU 101 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ja2 h LEU 101 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2ja2 h LEU 101 CO 0.04 0.76 -0.08 -0.07 0.09 0.00 0.00 178.44 179.17 2ja2 h LEU 102 N 0.96 0.66 0.00 1.67 3.38 -0.68 -1.87 115.31 119.44 2ja2 h LEU 102 Ca 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ja2 h LEU 102 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2ja2 h LEU 102 CO -0.03 0.79 -0.23 0.00 0.09 0.00 0.00 178.44 179.05 2ja2 h ALA 103 N 1.28 0.88 0.00 1.53 0.00 -1.20 -3.04 119.26 118.71 2ja2 h ALA 103 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ja2 h ALA 103 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ja2 h ALA 103 CO 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.91 2ja2 n ALA 104 N -2.08 3.21 -1.02 0.00 0.00 -0.95 -4.94 120.51 114.73 2ja2 n ALA 104 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 2ja2 n ALA 104 Cb 0.52 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 2ja2 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ja2 n GLY 105 N 1.50 0.46 0.19 0.00 0.00 -1.13 -4.90 105.19 101.30 2ja2 n GLY 105 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2ja2 n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ja2 h GLU 106 N 0.64 0.17 -5.14 1.61 4.39 -1.64 -3.46 114.58 111.16 2ja2 h GLU 106 Ca -0.02 -0.08 -0.35 0.00 0.34 0.00 0.00 59.36 59.26 2ja2 h GLU 106 Cb 0.22 -0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.70 2ja2 h GLU 106 CO 0.02 0.56 -0.73 0.00 -1.16 0.00 0.00 179.01 177.70 2ja2 s ALA 107 N -4.13 1.36 0.06 3.43 0.00 -0.86 -0.40 121.76 121.22 2ja2 s ALA 107 Ca -0.04 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 50.51 2ja2 s ALA 107 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2ja2 s ALA 107 CO 0.76 -0.02 0.14 1.52 0.00 0.00 0.00 175.76 178.16 2ja2 s TYR 108 N -2.70 0.20 0.12 0.00 -0.85 -0.19 -4.18 117.35 109.75 2ja2 s TYR 108 Ca 0.11 -0.58 -0.30 0.00 -0.52 0.00 0.00 57.07 55.77 2ja2 s TYR 108 Cb -0.01 -0.12 -0.06 0.00 0.38 0.00 0.00 41.96 42.14 2ja2 s TYR 108 CO 0.01 -0.46 0.99 -1.01 -1.52 0.00 0.00 175.55 173.56 2ja2 s HIS 109 N -3.37 3.77 -0.07 -3.49 3.76 -1.26 -1.44 115.29 113.18 2ja2 s HIS 109 Ca 0.01 1.76 0.03 0.00 -0.15 0.00 0.00 55.06 56.72 2ja2 s HIS 109 Cb 0.03 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.63 2ja2 s HIS 109 CO -0.08 0.05 -0.18 0.00 -0.85 0.00 0.00 174.74 173.68 2ja2 s ALA 110 N -0.00 1.67 -0.49 -1.40 0.00 0.14 -4.87 121.76 116.81 2ja2 s ALA 110 Ca 0.48 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.79 2ja2 s ALA 110 Cb -0.24 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2ja2 s ALA 110 CO 0.31 0.22 0.68 1.19 0.00 0.00 0.00 175.76 178.16 2ja2 n PHE 111 N 3.55 0.02 -2.14 0.00 3.01 -1.26 -1.10 117.46 119.53 2ja2 n PHE 111 Ca -0.20 -0.06 -0.36 0.00 1.01 0.00 0.00 57.45 57.84 2ja2 n PHE 111 Cb 0.52 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 2ja2 n PHE 111 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ja2 s SER 112 N -0.41 5.70 0.27 4.37 0.01 -1.26 -5.01 113.70 117.37 2ja2 s SER 112 Ca 0.05 2.36 -0.06 0.00 1.31 0.00 0.00 55.95 59.61 2ja2 s SER 112 Cb 0.03 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2ja2 s SER 112 CO 0.05 -1.24 0.54 0.42 0.41 0.00 0.00 173.24 173.42 2ja2 s THR 113 N -1.58 5.02 0.58 1.44 -4.23 -1.26 -4.98 115.64 110.63 2ja2 s THR 113 Ca 0.70 0.13 0.28 0.00 -1.18 0.00 0.00 61.69 61.62 2ja2 s THR 113 Cb -0.29 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.21 2ja2 s THR 113 CO 0.34 -0.26 2.04 -0.65 -0.54 0.00 0.00 174.62 175.55 2ja2 h PRO 114 N 1.90 0.00 0.01 3.99 0.11 -2.00 -1.01 132.00 135.00 2ja2 h PRO 114 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2ja2 h PRO 114 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ja2 h PRO 114 CO 0.67 0.00 -0.94 0.93 -0.21 0.00 0.00 178.00 178.45 2ja2 h GLU 115 N 0.00 0.32 -0.06 1.05 3.07 -1.99 -1.81 114.58 115.16 2ja2 h GLU 115 Ca 0.14 -0.35 -0.13 0.00 -0.50 0.00 0.00 59.36 58.51 2ja2 h GLU 115 Cb 0.72 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2ja2 h GLU 115 CO -0.00 1.05 -0.55 0.93 -1.40 0.00 0.00 179.01 179.04 2ja2 h GLU 116 N 0.17 0.17 0.07 2.33 5.08 -1.60 -1.51 114.58 119.30 2ja2 h GLU 116 Ca -0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2ja2 h GLU 116 Cb 1.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2ja2 h GLU 116 CO 0.15 0.68 -0.03 0.28 -1.00 0.00 0.00 179.01 179.09 2ja2 h VAL 117 N 0.13 1.12 -0.94 3.13 2.07 -1.31 -2.49 116.25 117.96 2ja2 h VAL 117 Ca -0.00 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2ja2 h VAL 117 Cb 1.02 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 2ja2 h VAL 117 CO 0.08 0.17 0.60 -0.33 0.02 0.00 0.00 177.57 178.11 2ja2 h GLU 118 N -0.40 1.09 -0.32 1.57 5.08 -1.27 -1.32 114.58 119.01 2ja2 h GLU 118 Ca -0.01 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2ja2 h GLU 118 Cb 0.35 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ja2 h GLU 118 CO 0.02 0.72 -0.22 0.00 -1.00 0.00 0.00 179.01 178.54 2ja2 h ALA 119 N 1.41 1.03 -0.62 3.43 0.00 -1.25 -2.05 119.26 121.21 2ja2 h ALA 119 Ca 0.39 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2ja2 h ALA 119 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ja2 h ALA 119 CO -0.15 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.76 2ja2 h ARG 120 N 0.54 1.03 0.16 0.00 3.08 -0.97 -1.71 114.38 116.52 2ja2 h ARG 120 Ca 0.08 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2ja2 h ARG 120 Cb 0.67 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2ja2 h ARG 120 CO 0.05 0.96 -0.09 0.45 -1.07 0.00 0.00 179.97 180.28 2ja2 h HIS 121 N 0.96 -0.22 -0.69 3.04 3.86 -0.85 -2.21 115.15 119.04 2ja2 h HIS 121 Ca 0.19 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 2ja2 h HIS 121 Cb 0.45 0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 2ja2 h HIS 121 CO 0.03 -0.14 0.34 0.28 0.86 0.00 0.00 177.93 179.30 2ja2 h VAL 122 N -0.23 0.85 0.00 2.45 2.07 -1.26 0.40 116.25 120.53 2ja2 h VAL 122 Ca -0.02 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2ja2 h VAL 122 Cb 0.18 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2ja2 h VAL 122 CO 0.03 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.37 2ja2 h ALA 123 N 1.42 1.40 -0.06 1.67 0.00 -1.20 -2.28 119.26 120.21 2ja2 h ALA 123 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ja2 h ALA 123 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ja2 h ALA 123 CO -0.26 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2ja2 n ALA 124 N -2.46 2.53 -3.33 0.00 0.00 -0.84 -4.97 120.51 111.43 2ja2 n ALA 124 Ca -0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 2ja2 n ALA 124 Cb 0.39 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.85 2ja2 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ja2 n GLY 125 N 1.23 -0.24 3.77 0.00 0.00 -0.29 -5.02 105.19 104.63 2ja2 n GLY 125 Ca 0.17 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2ja2 n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja2 s ARG 126 N -6.00 2.82 -0.27 1.61 0.52 -0.03 -5.02 118.95 112.59 2ja2 s ARG 126 Ca 0.45 -0.79 -0.35 0.00 -0.52 0.00 0.00 55.73 54.52 2ja2 s ARG 126 Cb -0.20 -2.66 -0.11 0.00 0.52 0.00 0.00 34.95 32.50 2ja2 s ARG 126 CO 0.56 0.53 2.07 -1.71 0.02 0.00 0.00 175.30 176.77 2ja2 n ASN 127 N 0.15 2.60 0.00 0.23 2.85 -1.26 -4.14 115.26 115.68 2ja2 n ASN 127 Ca -0.09 0.59 0.14 0.00 -0.11 0.00 0.00 54.58 55.12 2ja2 n ASN 127 Cb 0.53 -1.31 0.82 0.00 1.24 0.00 0.00 39.78 41.07 2ja2 n ASN 127 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ja2 n PRO 128 N 7.59 0.82 0.00 1.20 -0.04 -1.26 0.04 135.00 143.36 2ja2 n PRO 128 Ca 0.34 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 2ja2 n PRO 128 Cb 0.26 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.80 2ja2 n PRO 128 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ja2 n LYS 129 N -1.04 0.61 -1.21 0.54 5.02 -1.26 -4.80 118.16 116.02 2ja2 n LYS 129 Ca 0.20 -0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 2ja2 n LYS 129 Cb 0.11 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.80 2ja2 n LYS 129 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ja2 s LEU 130 N -2.54 1.58 0.00 -0.35 1.43 0.11 -5.06 118.68 113.85 2ja2 s LEU 130 Ca 0.27 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2ja2 s LEU 130 Cb 0.20 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2ja2 s LEU 130 CO 0.49 -3.12 0.00 0.61 0.23 0.00 0.00 176.35 174.56 2ja2 n GLY 131 N -1.22 1.17 3.75 -3.19 0.00 -1.26 -4.94 105.19 99.50 2ja2 n GLY 131 Ca 0.05 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2ja2 n GLY 131 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ja2 s TYR 132 N 1.48 2.31 -0.19 1.61 5.04 -1.26 -4.95 117.35 121.40 2ja2 s TYR 132 Ca 0.00 1.34 0.08 0.00 -2.44 0.00 0.00 57.07 56.05 2ja2 s TYR 132 Cb 0.00 -3.85 0.17 0.00 0.35 0.00 0.00 41.96 38.64 2ja2 s TYR 132 CO 0.00 -2.95 1.12 -0.40 -1.34 0.00 0.00 175.55 171.97 2ja2 n ASP 133 N -0.81 2.40 -1.34 4.32 5.75 -1.26 -4.76 116.55 120.85 2ja2 n ASP 133 Ca 0.09 -2.40 -0.17 0.00 -0.01 0.00 0.00 54.79 52.30 2ja2 n ASP 133 Cb 0.44 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.26 2ja2 n ASP 133 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ja2 n ASN 134 N -0.63 -5.02 -0.20 -1.12 3.02 -1.26 -4.88 115.26 105.18 2ja2 n ASN 134 Ca 0.08 0.38 -0.01 0.00 -0.03 0.00 0.00 54.58 55.00 2ja2 n ASN 134 Cb 0.44 -4.00 0.09 0.00 -0.61 0.00 0.00 39.78 35.71 2ja2 n ASN 134 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2ja2 h PHE 135 N 0.00 0.44 0.00 3.10 3.57 -2.00 -2.49 116.94 119.55 2ja2 h PHE 135 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2ja2 h PHE 135 Cb 1.11 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2ja2 h PHE 135 CO 0.47 0.15 0.00 -0.25 -2.23 0.00 0.00 178.31 176.45 2ja2 n ASP 136 N -4.95 0.00 0.14 0.41 8.00 -1.26 -2.69 116.55 116.20 2ja2 n ASP 136 Ca 0.08 -0.75 0.05 0.00 0.71 0.00 0.00 54.79 54.88 2ja2 n ASP 136 Cb 0.23 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.85 2ja2 n ASP 136 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2ja2 h ARG 137 N 0.00 0.23 -0.22 -1.24 3.08 -1.78 -3.28 114.38 111.17 2ja2 h ARG 137 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2ja2 h ARG 137 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2ja2 h ARG 137 CO 0.00 0.20 -0.01 0.72 -1.07 0.00 0.00 179.97 179.81 2ja2 n HIS 138 N -4.46 0.79 -2.16 3.04 8.25 -1.09 -5.01 115.22 114.58 2ja2 n HIS 138 Ca -0.00 -0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 56.08 2ja2 n HIS 138 Cb 0.12 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 2ja2 n HIS 138 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ja2 s LEU 139 N -2.88 4.44 0.63 2.41 1.02 -1.24 -5.02 118.68 118.04 2ja2 s LEU 139 Ca 0.41 2.64 -0.13 0.00 0.02 0.00 0.00 54.13 57.06 2ja2 s LEU 139 Cb 0.34 -3.65 -0.03 0.00 0.02 0.00 0.00 46.19 42.88 2ja2 s LEU 139 CO 0.07 -0.48 1.05 0.42 0.02 0.00 0.00 176.35 177.42 2ja2 s THR 140 N -1.14 4.10 0.23 5.49 -4.23 -1.26 -4.87 115.64 113.96 2ja2 s THR 140 Ca 0.48 0.83 -0.07 0.00 -1.18 0.00 0.00 61.69 61.75 2ja2 s THR 140 Cb -0.39 -3.49 0.20 0.00 1.34 0.00 0.00 72.50 70.16 2ja2 s THR 140 CO 0.51 -0.75 1.70 0.44 -0.54 0.00 0.00 174.62 175.98 2ja2 h ASP 141 N -0.04 0.03 -0.90 3.99 5.19 -1.99 -0.81 116.42 121.89 2ja2 h ASP 141 Ca -0.45 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2ja2 h ASP 141 Cb 1.21 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.84 2ja2 h ASP 141 CO 0.58 -0.00 0.54 0.00 -3.12 0.00 0.00 179.24 177.24 2ja2 h ALA 142 N 1.55 1.14 -0.23 3.45 0.00 -1.97 0.32 119.26 123.53 2ja2 h ALA 142 Ca 0.37 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2ja2 h ALA 142 Cb 0.59 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ja2 h ALA 142 CO -0.46 0.60 -0.55 1.96 0.00 0.00 0.00 179.25 180.81 2ja2 h GLN 143 N 1.24 0.68 0.05 0.00 4.20 -1.75 0.22 115.11 119.74 2ja2 h GLN 143 Ca 0.32 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2ja2 h GLN 143 Cb -0.05 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ja2 h GLN 143 CO -0.06 1.05 -0.02 -0.09 -0.67 0.00 0.00 178.83 179.03 2ja2 h ARG 144 N 0.52 -0.06 -0.92 1.46 2.43 -1.04 -0.12 114.38 116.65 2ja2 h ARG 144 Ca 0.01 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2ja2 h ARG 144 Cb 1.11 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 2ja2 h ARG 144 CO 0.11 0.13 0.60 0.00 -1.51 0.00 0.00 179.97 179.30 2ja2 h ALA 145 N 0.69 1.50 -0.16 2.80 0.00 -0.27 -2.34 119.26 121.48 2ja2 h ALA 145 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2ja2 h ALA 145 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ja2 h ALA 145 CO 0.01 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.19 2ja2 h ALA 146 N 1.50 0.97 -0.49 0.00 0.00 -0.28 -0.77 119.26 120.19 2ja2 h ALA 146 Ca 0.40 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2ja2 h ALA 146 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2ja2 h ALA 146 CO -0.15 0.63 -0.12 1.88 0.00 0.00 0.00 179.25 181.49 2ja2 h TYR 147 N 0.32 1.07 -0.28 0.00 0.05 -0.51 -2.69 116.97 114.92 2ja2 h TYR 147 Ca 0.03 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.54 2ja2 h TYR 147 Cb 0.88 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2ja2 h TYR 147 CO 0.02 1.02 0.04 -0.07 -1.05 0.00 0.00 178.16 178.13 2ja2 h LEU 148 N 0.81 0.46 -2.57 3.88 3.38 -1.23 -0.37 115.31 119.66 2ja2 h LEU 148 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2ja2 h LEU 148 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ja2 h LEU 148 CO 0.05 0.61 0.01 0.00 0.09 0.00 0.00 178.44 179.20 2ja2 h ALA 149 N 0.87 1.01 -0.25 1.53 0.00 -1.06 0.62 119.26 121.98 2ja2 h ALA 149 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ja2 h ALA 149 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ja2 h ALA 149 CO 0.01 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.63 2ja2 n GLU 150 N -2.86 2.00 -1.39 0.00 1.02 -0.76 -4.94 120.64 113.71 2ja2 n GLU 150 Ca -0.03 -1.51 -0.04 0.00 -0.02 0.00 0.00 57.16 55.56 2ja2 n GLU 150 Cb 0.07 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 2ja2 n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ja2 n GLY 151 N 1.26 0.55 3.74 0.62 0.00 0.22 -5.01 105.19 106.57 2ja2 n GLY 151 Ca 0.17 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2ja2 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja2 s ARG 152 N -2.87 4.54 -0.34 1.61 1.81 -0.22 -5.00 118.95 118.47 2ja2 s ARG 152 Ca 0.00 1.85 -0.13 0.00 -1.72 0.00 0.00 55.73 55.72 2ja2 s ARG 152 Cb 0.00 -3.23 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2ja2 s ARG 152 CO 0.00 0.00 0.27 -0.65 -0.68 0.00 0.00 175.30 174.24 2ja2 s GLN 153 N -0.61 3.55 0.73 3.54 -1.52 -1.26 -4.56 119.66 119.53 2ja2 s GLN 153 Ca 0.50 -0.55 -0.09 0.00 -1.95 0.00 0.00 55.36 53.27 2ja2 s GLN 153 Cb -0.32 -3.80 0.05 0.00 -0.22 0.00 0.00 33.01 28.73 2ja2 s GLN 153 CO 0.38 -0.45 1.07 -1.25 -0.25 0.00 0.00 175.29 174.79 2ja2 s PRO 154 N 1.81 2.30 0.21 2.91 0.04 -1.26 -4.83 135.00 136.18 2ja2 s PRO 154 Ca 0.08 0.00 0.05 0.00 0.04 0.00 0.00 61.00 61.17 2ja2 s PRO 154 Cb -0.17 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2ja2 s PRO 154 CO 0.11 -1.27 0.26 0.14 0.04 0.00 0.00 177.00 176.29 2ja2 s VAL 155 N -3.35 4.94 -0.19 -0.36 -7.23 -0.26 -4.45 120.40 109.51 2ja2 s VAL 155 Ca 0.60 -1.04 -0.17 0.00 -1.81 0.00 0.00 61.98 59.56 2ja2 s VAL 155 Cb -0.11 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2ja2 s VAL 155 CO 0.47 -0.25 0.43 -0.69 -0.31 0.00 0.00 175.10 174.75 2ja2 s VAL 156 N -1.93 5.19 0.09 1.32 1.01 -1.26 0.26 120.40 125.08 2ja2 s VAL 156 Ca 0.33 0.78 0.06 0.00 0.00 0.00 0.00 61.98 63.16 2ja2 s VAL 156 Cb -0.09 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ja2 s VAL 156 CO 0.27 0.26 -0.07 -0.13 0.00 0.00 0.00 175.10 175.43 2ja2 s ARG 157 N 1.22 2.28 0.09 2.72 0.52 -0.52 -0.06 118.95 125.20 2ja2 s ARG 157 Ca 0.21 -0.95 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 2ja2 s ARG 157 Cb -0.15 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 2ja2 s ARG 157 CO 0.08 0.52 0.71 -1.17 0.02 0.00 0.00 175.30 175.46 2ja2 s LEU 158 N -2.18 4.52 -0.52 2.53 2.96 -0.39 -1.03 118.68 124.57 2ja2 s LEU 158 Ca 0.22 1.46 -0.28 0.00 -0.22 0.00 0.00 54.13 55.31 2ja2 s LEU 158 Cb -0.11 -3.15 0.03 0.00 0.50 0.00 0.00 46.19 43.46 2ja2 s LEU 158 CO 0.15 0.16 1.14 -0.60 -1.32 0.00 0.00 176.35 175.88 2ja2 s ARG 159 N -0.75 3.61 0.31 1.98 3.52 0.46 -3.61 118.95 124.47 2ja2 s ARG 159 Ca 0.34 0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 2ja2 s ARG 159 Cb -0.21 -3.96 -0.10 0.00 -1.56 0.00 0.00 34.95 29.12 2ja2 s ARG 159 CO 0.23 -1.50 1.40 -1.64 -0.81 0.00 0.00 175.30 172.98 2ja2 s MET 160 N 4.61 4.27 1.13 5.12 -1.94 -1.26 -4.95 119.30 126.27 2ja2 s MET 160 Ca 0.45 2.33 -0.13 0.00 -1.71 0.00 0.00 55.69 56.63 2ja2 s MET 160 Cb -0.08 -3.06 0.27 0.00 2.01 0.00 0.00 34.83 33.97 2ja2 s MET 160 CO 0.29 -0.36 1.04 -1.25 -0.01 0.00 0.00 175.02 174.73 2ja2 s PRO 161 N -1.26 -0.66 0.00 2.03 0.04 -1.26 -4.96 135.00 128.94 2ja2 s PRO 161 Ca 0.54 0.79 0.26 0.00 0.04 0.00 0.00 61.00 62.64 2ja2 s PRO 161 Cb -0.42 -1.59 0.69 0.00 0.04 0.00 0.00 34.50 33.22 2ja2 s PRO 161 CO 0.51 -3.54 1.54 -0.25 0.04 0.00 0.00 177.00 175.30 2ja2 n ASP 162 N -4.78 0.41 -5.03 6.66 8.00 -1.26 -4.65 116.55 115.89 2ja2 n ASP 162 Ca 0.04 -0.12 -0.20 0.00 0.71 0.00 0.00 54.79 55.22 2ja2 n ASP 162 Cb 0.55 0.08 0.07 0.00 -0.02 0.00 0.00 41.12 41.79 2ja2 n ASP 162 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2ja2 s ASP 163 N -2.97 5.03 0.59 -2.24 -4.77 -1.26 -4.32 116.67 106.72 2ja2 s ASP 163 Ca 0.12 -0.89 -0.19 0.00 -3.30 0.00 0.00 52.55 48.30 2ja2 s ASP 163 Cb 0.18 0.40 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 2ja2 s ASP 163 CO 0.65 -1.42 1.18 -1.81 0.70 0.00 0.00 175.17 174.48 2ja2 s ASP 164 N -4.70 5.26 -0.39 2.11 1.01 -1.26 -3.81 116.67 114.88 2ja2 s ASP 164 Ca 0.63 2.32 -0.06 0.00 0.71 0.00 0.00 52.55 56.15 2ja2 s ASP 164 Cb -0.05 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.37 2ja2 s ASP 164 CO 0.40 -1.54 0.19 -0.76 0.21 0.00 0.00 175.17 173.66 2ja2 s LEU 165 N -4.11 4.92 0.00 1.23 1.43 0.64 -4.88 118.68 117.93 2ja2 s LEU 165 Ca 0.76 -1.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2ja2 s LEU 165 Cb -0.28 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2ja2 s LEU 165 CO 0.33 -0.48 0.15 0.00 0.23 0.00 0.00 176.35 176.58 2ja2 s ALA 166 N 1.31 -0.35 0.15 4.21 0.00 -1.26 -0.07 121.76 125.74 2ja2 s ALA 166 Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 2ja2 s ALA 166 Cb -0.22 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ja2 s ALA 166 CO -0.00 -0.22 0.49 1.67 0.00 0.00 0.00 175.76 177.70 2ja2 s TRP 167 N -1.43 -0.27 -0.49 0.00 -2.14 -0.29 -5.00 118.94 109.32 2ja2 s TRP 167 Ca -0.14 -0.03 -0.15 0.00 2.66 0.00 0.00 56.10 58.43 2ja2 s TRP 167 Cb -0.07 0.37 0.09 0.00 -3.10 0.00 0.00 33.47 30.77 2ja2 s TRP 167 CO 0.02 -0.80 0.42 1.21 -2.66 0.00 0.00 176.95 175.14 2ja2 s ASN 168 N -2.81 6.13 0.18 -2.66 2.47 -1.26 -1.06 114.94 115.92 2ja2 s ASN 168 Ca 0.04 -1.50 -0.30 0.00 0.42 0.00 0.00 52.86 51.52 2ja2 s ASN 168 Cb 0.00 -2.18 -0.08 0.00 -1.45 0.00 0.00 41.25 37.54 2ja2 s ASN 168 CO -0.10 -0.71 1.16 -0.62 -3.72 0.00 0.00 177.10 173.11 2ja2 s ASP 169 N 2.92 7.15 0.56 -4.21 -1.08 -0.23 -4.72 116.67 117.06 2ja2 s ASP 169 Ca 0.04 2.17 0.34 0.00 -0.52 0.00 0.00 52.55 54.57 2ja2 s ASP 169 Cb -0.26 -2.60 1.61 0.00 -1.46 0.00 0.00 42.92 40.20 2ja2 s ASP 169 CO 0.05 -0.32 2.09 -0.07 0.52 0.00 0.00 175.17 177.44 2ja2 h LEU 170 N 5.27 0.00 0.00 -1.34 3.38 -1.39 -1.34 115.31 119.89 2ja2 h LEU 170 Ca -0.44 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.33 2ja2 h LEU 170 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2ja2 h LEU 170 CO 0.74 0.06 -1.75 0.52 0.09 0.00 0.00 178.44 178.10 2ja2 n VAL 171 N -3.28 0.75 1.04 1.22 0.31 -1.26 -4.70 118.33 112.41 2ja2 n VAL 171 Ca -0.01 -0.27 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 2ja2 n VAL 171 Cb 0.24 -1.06 0.20 0.00 -0.91 0.00 0.00 33.84 32.31 2ja2 n VAL 171 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ja2 n ARG 172 N -2.98 0.17 0.00 5.55 5.12 -1.20 -4.73 116.66 118.59 2ja2 n ARG 172 Ca -0.24 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 2ja2 n ARG 172 Cb 0.74 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 2ja2 n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ja2 n GLY 173 N 1.47 -1.54 3.64 -0.13 0.00 -0.51 -4.88 105.19 103.25 2ja2 n GLY 173 Ca 0.06 -1.30 -0.48 0.00 0.00 0.00 0.00 46.02 44.31 2ja2 n GLY 173 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ja2 n PRO 174 N -0.22 1.83 -4.35 1.61 -0.02 -1.26 -1.06 135.00 131.52 2ja2 n PRO 174 Ca 0.00 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 2ja2 n PRO 174 Cb 0.00 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 30.94 2ja2 n PRO 174 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ja2 s VAL 175 N 0.83 0.69 -0.01 -1.45 1.01 -0.23 -4.90 120.40 116.35 2ja2 s VAL 175 Ca 0.81 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2ja2 s VAL 175 Cb -0.77 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2ja2 s VAL 175 CO 0.41 0.20 0.00 -0.89 0.00 0.00 0.00 175.10 174.82 2ja2 s THR 176 N -0.16 0.06 -0.11 3.92 2.01 -1.26 -1.14 115.64 118.96 2ja2 s THR 176 Ca 0.03 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2ja2 s THR 176 Cb -0.04 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 2ja2 s THR 176 CO -0.00 0.06 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.52 2ja2 s PHE 177 N 0.47 2.84 0.44 4.92 0.40 0.90 -4.97 117.98 122.98 2ja2 s PHE 177 Ca -0.04 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.66 2ja2 s PHE 177 Cb -0.06 -1.80 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 2ja2 s PHE 177 CO -0.01 -0.03 1.04 0.00 0.70 0.00 0.00 175.22 176.91 2ja2 s ALA 178 N -0.02 2.98 -0.29 5.36 0.00 -1.26 -0.26 121.76 128.27 2ja2 s ALA 178 Ca -0.02 0.64 -0.44 0.00 0.00 0.00 0.00 51.96 52.13 2ja2 s ALA 178 Cb -0.14 -3.25 -0.20 0.00 0.00 0.00 0.00 23.12 19.53 2ja2 s ALA 178 CO 0.04 -0.24 1.38 0.00 0.00 0.00 0.00 175.76 176.94 2ja2 n ALA 179 N -0.54 -2.29 -0.07 0.00 0.00 -1.25 -1.77 120.51 114.58 2ja2 n ALA 179 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2ja2 n ALA 179 Cb 0.51 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2ja2 n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ja2 n GLY 180 N 2.98 1.91 0.15 0.00 0.00 -1.26 -4.90 105.19 104.07 2ja2 n GLY 180 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 2ja2 n GLY 180 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ja2 h SER 181 N 0.00 0.00 -3.66 1.61 4.64 -1.72 -3.43 113.55 110.99 2ja2 h SER 181 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2ja2 h SER 181 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 2ja2 h SER 181 CO 0.00 0.00 -0.68 -0.69 -0.87 0.00 0.00 176.83 174.59 2ja2 s VAL 182 N -3.24 3.32 0.66 0.95 1.01 -1.26 -5.07 120.40 116.77 2ja2 s VAL 182 Ca 0.07 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 2ja2 s VAL 182 Cb 0.10 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 2ja2 s VAL 182 CO 0.55 -0.02 1.25 -2.84 0.00 0.00 0.00 175.10 174.04 2ja2 s PRO 183 N 1.35 2.52 -0.00 2.72 0.02 -1.26 -4.87 135.00 135.48 2ja2 s PRO 183 Ca -0.02 1.93 -0.35 0.00 0.02 0.00 0.00 61.00 62.58 2ja2 s PRO 183 Cb -0.19 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 2ja2 s PRO 183 CO -0.00 -1.58 1.72 -0.25 -0.33 0.00 0.00 177.00 176.55 2ja2 n ASP 184 N -2.07 3.08 -4.70 2.53 8.00 -1.26 -4.92 116.55 117.21 2ja2 n ASP 184 Ca 0.15 1.03 -0.31 0.00 0.71 0.00 0.00 54.79 56.37 2ja2 n ASP 184 Cb 0.49 -1.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.16 2ja2 n ASP 184 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2ja2 s PHE 185 N 2.60 3.03 0.02 1.24 -0.71 -1.24 -4.85 117.98 118.07 2ja2 s PHE 185 Ca 0.88 0.00 -0.30 0.00 -1.04 0.00 0.00 56.93 56.47 2ja2 s PHE 185 Cb -0.74 -1.57 -0.06 0.00 -1.21 0.00 0.00 43.02 39.44 2ja2 s PHE 185 CO 0.48 0.48 1.41 0.00 -1.34 0.00 0.00 175.22 176.25 2ja2 s ALA 186 N -1.28 3.58 -0.56 1.99 0.00 -1.26 -1.27 121.76 122.96 2ja2 s ALA 186 Ca 0.25 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.37 2ja2 s ALA 186 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2ja2 s ALA 186 CO 0.17 -0.87 0.98 1.28 0.00 0.00 0.00 175.76 177.33 2ja2 n LEU 187 N 5.14 0.60 -4.16 0.00 4.77 0.91 -4.77 117.00 119.49 2ja2 n LEU 187 Ca 0.13 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 2ja2 n LEU 187 Cb 0.43 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 2ja2 n LEU 187 CO 0.59 0.04 -0.34 0.42 -1.33 0.00 0.00 177.39 176.76 2ja2 s THR 188 N -3.22 0.38 0.76 -5.08 -4.23 -1.19 -1.61 115.64 101.44 2ja2 s THR 188 Ca 0.03 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2ja2 s THR 188 Cb 0.14 -1.83 0.09 0.00 1.34 0.00 0.00 72.50 72.24 2ja2 s THR 188 CO 0.81 -0.71 1.07 -0.13 -0.54 0.00 0.00 174.62 175.13 2ja2 s ARG 189 N -3.94 1.85 0.58 3.99 0.52 0.02 -4.50 118.95 117.46 2ja2 s ARG 189 Ca 0.17 -0.37 0.34 0.00 -0.52 0.00 0.00 55.73 55.35 2ja2 s ARG 189 Cb 0.07 -2.12 1.75 0.00 0.52 0.00 0.00 34.95 35.17 2ja2 s ARG 189 CO -0.03 -1.49 2.16 0.00 0.02 0.00 0.00 175.30 175.96 2ja2 h ALA 190 N -0.79 1.15 0.00 2.13 0.00 -1.88 -0.81 119.26 119.05 2ja2 h ALA 190 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ja2 h ALA 190 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ja2 h ALA 190 CO 0.54 0.06 0.00 0.66 0.00 0.00 0.00 179.25 180.51 2ja2 h SER 191 N 0.00 0.00 0.00 0.00 4.64 -1.93 -3.43 113.55 112.82 2ja2 h SER 191 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ja2 h SER 191 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2ja2 h SER 191 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2ja2 n GLY 192 N 0.20 0.28 3.73 -0.77 0.00 -0.31 -5.06 105.19 103.26 2ja2 n GLY 192 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2ja2 n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ja2 s ASP 193 N -2.37 6.65 0.47 1.61 1.01 -1.25 -4.71 116.67 118.07 2ja2 s ASP 193 Ca 0.00 2.59 -0.19 0.00 0.71 0.00 0.00 52.55 55.65 2ja2 s ASP 193 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 2ja2 s ASP 193 CO 0.00 -0.76 0.98 -2.16 0.21 0.00 0.00 175.17 173.44 2ja2 s PRO 194 N 0.64 4.04 0.39 8.23 0.04 -1.26 -0.80 135.00 146.28 2ja2 s PRO 194 Ca 0.66 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.88 2ja2 s PRO 194 Cb -0.42 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 2ja2 s PRO 194 CO 0.35 -0.20 0.43 -0.51 0.04 0.00 0.00 177.00 177.12 2ja2 s LEU 195 N -3.55 3.61 0.34 -3.56 1.43 -0.63 -4.87 118.68 111.45 2ja2 s LEU 195 Ca 0.62 -0.50 0.14 0.00 -1.03 0.00 0.00 54.13 53.36 2ja2 s LEU 195 Cb -0.11 -2.39 1.08 0.00 0.03 0.00 0.00 46.19 44.81 2ja2 s LEU 195 CO 0.20 -0.59 1.66 0.22 0.23 0.00 0.00 176.35 178.08 2ja2 h TYR 196 N 0.93 0.91 -0.02 0.29 3.20 -1.94 -1.21 116.97 119.13 2ja2 h TYR 196 Ca -0.42 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.49 2ja2 h TYR 196 Cb 1.27 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 2ja2 h TYR 196 CO 0.47 -0.18 0.02 1.79 -1.64 0.00 0.00 178.16 178.62 2ja2 h THR 197 N 0.32 0.56 0.00 1.81 1.35 -1.90 -1.19 112.91 113.87 2ja2 h THR 197 Ca 0.73 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 66.37 2ja2 h THR 197 Cb 1.66 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 2ja2 h THR 197 CO -0.61 0.00 -1.29 -0.11 -0.25 0.00 0.00 175.52 173.26 2ja2 n LEU 198 N -3.91 1.86 0.03 3.87 7.94 -0.53 -4.67 117.00 121.59 2ja2 n LEU 198 Ca -0.03 0.44 -0.10 0.00 -1.11 0.00 0.00 56.01 55.22 2ja2 n LEU 198 Cb 0.11 -0.94 0.05 0.00 0.53 0.00 0.00 43.42 43.16 2ja2 n LEU 198 CO 0.28 0.21 0.43 -0.37 -1.11 0.00 0.00 177.39 176.83 2ja2 h VAL 199 N -1.00 1.34 0.64 1.96 -1.51 -0.90 0.14 116.25 116.92 2ja2 h VAL 199 Ca -0.34 -1.93 -0.03 0.00 -1.23 0.00 0.00 66.70 63.17 2ja2 h VAL 199 Cb 1.24 1.91 0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2ja2 h VAL 199 CO -0.21 0.59 -0.31 -1.13 -1.23 0.00 0.00 177.57 175.29 2ja2 h ASN 200 N 0.36 -0.73 0.11 4.19 -0.73 -1.50 -1.25 115.58 116.03 2ja2 h ASN 200 Ca -0.01 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2ja2 h ASN 200 Cb 1.18 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 2ja2 h ASN 200 CO 0.11 -0.38 -0.12 1.55 -0.37 0.00 0.00 177.43 178.22 2ja2 h PRO 201 N -1.13 0.04 -0.31 6.67 0.13 -1.76 -1.06 132.00 134.58 2ja2 h PRO 201 Ca -0.09 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 2ja2 h PRO 201 Cb 0.66 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2ja2 h PRO 201 CO 0.14 0.16 -0.01 0.00 -0.23 0.00 0.00 178.00 178.07 2ja2 h ASP 203 N 0.35 0.09 -0.88 0.00 3.32 -0.95 -0.69 116.42 117.66 2ja2 h ASP 203 Ca 0.09 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2ja2 h ASP 203 Cb 0.45 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2ja2 h ASP 203 CO 0.02 0.71 0.58 0.44 -1.72 0.00 0.00 179.24 179.26 2ja2 h ASP 204 N 0.06 0.98 0.00 6.45 3.32 -1.01 0.35 116.42 126.56 2ja2 h ASP 204 Ca -0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ja2 h ASP 204 Cb 1.15 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2ja2 h ASP 204 CO 0.09 0.69 -0.00 0.00 -1.72 0.00 0.00 179.24 178.30 2ja2 h ALA 205 N 1.34 -0.00 -0.06 3.45 0.00 -0.98 -0.07 119.26 122.94 2ja2 h ALA 205 Ca 0.34 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2ja2 h ALA 205 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ja2 h ALA 205 CO -0.09 -0.32 -0.38 -0.07 0.00 0.00 0.00 179.25 178.39 2ja2 h LEU 206 N -0.37 0.14 -1.38 0.00 4.07 -0.96 -1.14 115.31 115.67 2ja2 h LEU 206 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2ja2 h LEU 206 Cb 0.37 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2ja2 h LEU 206 CO 0.00 0.51 0.00 0.23 -1.08 0.00 0.00 178.44 178.10 2ja2 n MET 207 N -4.06 1.87 -3.78 1.13 2.81 0.12 -4.93 117.12 110.27 2ja2 n MET 207 Ca -0.02 -1.35 -0.27 0.00 -1.81 0.00 0.00 57.70 54.25 2ja2 n MET 207 Cb 0.44 -1.30 0.05 0.00 -0.71 0.00 0.00 33.22 31.70 2ja2 n MET 207 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ja2 n LYS 208 N 0.60 -6.50 -2.20 0.03 4.76 -0.43 -4.94 118.16 109.48 2ja2 n LYS 208 Ca 0.13 0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 55.84 2ja2 n LYS 208 Cb 0.32 -5.64 -0.03 0.00 -1.84 0.00 0.00 35.03 27.83 2ja2 n LYS 208 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ja2 s ILE 209 N -3.32 3.30 -0.16 -0.18 -1.09 -0.08 -4.73 121.20 114.93 2ja2 s ILE 209 Ca 0.60 0.98 0.19 0.00 -2.23 0.00 0.00 60.65 60.19 2ja2 s ILE 209 Cb -0.29 -3.63 -0.27 0.00 -1.58 0.00 0.00 42.46 36.70 2ja2 s ILE 209 CO 0.79 0.10 0.17 0.35 -1.23 0.00 0.00 174.94 175.12 2ja2 n THR 210 N 3.46 1.10 -3.68 2.92 -2.24 0.11 -4.38 114.28 111.56 2ja2 n THR 210 Ca 0.09 -0.78 -0.20 0.00 -2.27 0.00 0.00 64.05 60.89 2ja2 n THR 210 Cb 0.43 -0.37 -0.18 0.00 -2.10 0.00 0.00 70.33 68.10 2ja2 n THR 210 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ja2 s HIS 211 N -2.71 0.12 -0.42 4.78 3.76 -1.09 -1.24 115.29 118.49 2ja2 s HIS 211 Ca -0.09 0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2ja2 s HIS 211 Cb 0.08 -0.51 0.02 0.00 1.11 0.00 0.00 32.58 33.28 2ja2 s HIS 211 CO 0.85 -0.20 0.37 0.08 -0.85 0.00 0.00 174.74 174.99 2ja2 s VAL 212 N 2.13 5.17 -0.31 -0.90 1.01 0.73 -4.38 120.40 123.85 2ja2 s VAL 212 Ca 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2ja2 s VAL 212 Cb -0.12 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.29 2ja2 s VAL 212 CO -0.03 -0.38 0.08 -0.76 0.00 0.00 0.00 175.10 174.01 2ja2 s LEU 213 N 1.92 4.00 0.16 3.92 1.02 -1.26 -0.41 118.68 128.02 2ja2 s LEU 213 Ca 0.09 -0.89 -0.10 0.00 0.02 0.00 0.00 54.13 53.25 2ja2 s LEU 213 Cb -0.18 -1.86 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2ja2 s LEU 213 CO 0.12 -0.24 0.30 0.00 0.02 0.00 0.00 176.35 176.55 2ja2 s ARG 214 N 1.45 1.13 0.49 1.70 1.70 -0.84 -4.92 118.95 119.67 2ja2 s ARG 214 Ca 0.01 -1.09 -0.23 0.00 -0.47 0.00 0.00 55.73 53.95 2ja2 s ARG 214 Cb -0.18 0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 2ja2 s ARG 214 CO 0.02 -0.42 1.32 0.20 -1.08 0.00 0.00 175.30 175.35 2ja2 s GLY 215 N -2.93 2.88 0.01 3.88 0.00 -1.26 -0.62 107.32 109.27 2ja2 s GLY 215 Ca 0.14 1.26 0.13 0.00 0.00 0.00 0.00 44.72 46.25 2ja2 s GLY 215 CO -0.02 1.80 1.41 -1.84 0.00 0.00 0.00 173.10 174.44 2ja2 n GLU 216 N -0.60 0.01 0.31 2.90 0.28 0.10 -1.86 120.64 121.77 2ja2 n GLU 216 Ca 0.08 0.29 0.20 0.00 -0.16 0.00 0.00 57.16 57.57 2ja2 n GLU 216 Cb 0.45 -1.52 0.93 0.00 1.43 0.00 0.00 31.44 32.73 2ja2 n GLU 216 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2ja2 h ASP 217 N 0.00 0.00 0.05 -1.84 2.03 -1.90 -2.44 116.42 112.32 2ja2 h ASP 217 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ja2 h ASP 217 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2ja2 h ASP 217 CO 0.00 0.00 -0.07 0.18 -1.03 0.00 0.00 179.24 178.32 2ja2 n LEU 218 N -3.10 1.46 -0.32 0.15 4.77 -0.78 -4.41 117.00 114.77 2ja2 n LEU 218 Ca -0.01 -0.47 0.12 0.00 -0.03 0.00 0.00 56.01 55.62 2ja2 n LEU 218 Cb 0.20 -0.03 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 2ja2 n LEU 218 CO 0.24 0.25 1.12 0.25 -1.33 0.00 0.00 177.39 177.92 2ja2 h LEU 219 N 2.18 0.56 -2.50 2.23 6.46 -1.59 -1.30 115.31 121.35 2ja2 h LEU 219 Ca 0.00 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2ja2 h LEU 219 Cb 0.53 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2ja2 h LEU 219 CO 0.00 0.15 -0.00 -0.65 -0.62 0.00 0.00 178.44 177.32 2ja2 h PRO 220 N 0.58 0.00 0.00 5.25 0.11 -1.82 -0.27 132.00 135.85 2ja2 h PRO 220 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2ja2 h PRO 220 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ja2 h PRO 220 CO -0.44 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.02 2ja2 h SER 221 N 0.00 0.00 -0.40 -2.05 4.64 -1.57 -3.38 113.55 110.79 2ja2 h SER 221 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ja2 h SER 221 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2ja2 h SER 221 CO 0.00 0.00 0.17 0.74 -0.87 0.00 0.00 176.83 176.87 2ja2 h THR 222 N 0.00 1.19 -0.84 2.95 2.02 -1.15 -1.51 112.91 115.58 2ja2 h THR 222 Ca 0.00 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.62 2ja2 h THR 222 Cb 0.48 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2ja2 h THR 222 CO 0.00 0.21 0.55 1.55 0.37 0.00 0.00 175.52 178.20 2ja2 h PRO 223 N 0.51 1.08 -0.85 6.66 0.13 -1.78 0.49 132.00 138.24 2ja2 h PRO 223 Ca 0.14 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2ja2 h PRO 223 Cb 0.17 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.01 2ja2 h PRO 223 CO -0.01 0.71 0.55 0.00 -0.23 0.00 0.00 178.00 179.02 2ja2 h ARG 224 N 1.11 1.07 -0.51 0.86 3.08 -1.78 -1.13 114.38 117.08 2ja2 h ARG 224 Ca 0.31 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 2ja2 h ARG 224 Cb -0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.69 2ja2 h ARG 224 CO -0.08 0.71 -0.06 1.96 -1.07 0.00 0.00 179.97 181.44 2ja2 h GLN 225 N 1.11 0.90 -0.31 0.04 4.20 -0.20 -2.06 115.11 118.78 2ja2 h GLN 225 Ca 0.32 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2ja2 h GLN 225 Cb -0.07 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2ja2 h GLN 225 CO -0.09 0.93 0.17 -0.07 -0.67 0.00 0.00 178.83 179.09 2ja2 h LEU 226 N 0.82 0.39 -0.29 1.46 3.38 0.30 0.01 115.31 121.37 2ja2 h LEU 226 Ca 0.14 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2ja2 h LEU 226 Cb 0.56 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2ja2 h LEU 226 CO 0.03 0.37 -0.17 0.00 0.09 0.00 0.00 178.44 178.77 2ja2 h ALA 227 N 1.04 0.05 -0.71 1.53 0.00 -1.12 0.56 119.26 120.60 2ja2 h ALA 227 Ca 0.11 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2ja2 h ALA 227 Cb 0.07 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ja2 h ALA 227 CO -0.02 -0.57 0.19 1.25 0.00 0.00 0.00 179.25 180.10 2ja2 h LEU 228 N -0.13 1.07 -0.42 0.00 5.85 -1.01 -1.69 115.31 118.98 2ja2 h LEU 228 Ca 0.15 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2ja2 h LEU 228 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2ja2 h LEU 228 CO -0.37 1.02 0.27 0.45 -0.34 0.00 0.00 178.44 179.47 2ja2 h HIS 229 N 1.08 0.53 -0.62 1.25 3.86 -0.51 0.06 115.15 120.80 2ja2 h HIS 229 Ca 0.23 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.50 2ja2 h HIS 229 Cb 0.36 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 2ja2 h HIS 229 CO 0.03 0.34 0.33 1.96 0.86 0.00 0.00 177.93 181.45 2ja2 h GLN 230 N 0.56 0.60 -0.43 2.45 4.20 -0.64 -1.38 115.11 120.47 2ja2 h GLN 230 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2ja2 h GLN 230 Cb -0.06 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2ja2 h GLN 230 CO -0.03 0.40 0.27 0.00 -0.67 0.00 0.00 178.83 178.80 2ja2 h ALA 231 N 1.33 0.55 -0.22 3.87 0.00 -0.85 -2.23 119.26 121.71 2ja2 h ALA 231 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2ja2 h ALA 231 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ja2 h ALA 231 CO -0.18 0.02 0.10 -0.07 0.00 0.00 0.00 179.25 179.11 2ja2 h LEU 232 N 0.58 0.26 -0.47 0.00 3.38 -0.55 -2.38 115.31 116.13 2ja2 h LEU 232 Ca 0.16 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2ja2 h LEU 232 Cb -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ja2 h LEU 232 CO -0.03 0.24 -0.51 0.40 0.09 0.00 0.00 178.44 178.62 2ja2 h ILE 233 N 0.30 1.30 -0.43 1.22 2.04 -0.84 -1.45 117.51 119.65 2ja2 h ILE 233 Ca 0.08 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.11 2ja2 h ILE 233 Cb 0.05 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2ja2 h ILE 233 CO -0.01 0.55 -0.12 0.03 0.00 0.00 0.00 178.15 178.60 2ja2 h ARG 234 N 0.53 0.79 -0.65 2.37 3.08 -0.96 -2.41 114.38 117.12 2ja2 h ARG 234 Ca 0.02 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2ja2 h ARG 234 Cb 1.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2ja2 h ARG 234 CO 0.10 0.87 0.00 0.44 -1.07 0.00 0.00 179.97 180.31 2ja2 n ILE 235 N -4.16 1.13 -1.01 2.04 -5.35 -0.94 -4.91 119.36 106.16 2ja2 n ILE 235 Ca 0.01 -0.65 -0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2ja2 n ILE 235 Cb 0.37 -0.17 -0.00 0.00 -1.74 0.00 0.00 39.64 38.10 2ja2 n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ja2 n GLY 236 N 0.58 0.42 0.08 3.28 0.00 -0.91 -4.88 105.19 103.77 2ja2 n GLY 236 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2ja2 n GLY 236 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ja2 n VAL 237 N -2.77 1.48 -4.36 1.61 0.31 -0.60 -4.95 118.33 109.04 2ja2 n VAL 237 Ca -0.00 -0.77 -0.19 0.00 -0.01 0.00 0.00 64.34 63.36 2ja2 n VAL 237 Cb 0.12 -0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 32.03 2ja2 n VAL 237 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ja2 s ALA 238 N -2.69 2.06 -0.00 3.52 0.00 -0.86 -4.81 121.76 118.98 2ja2 s ALA 238 Ca -0.04 -1.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.18 2ja2 s ALA 238 Cb 0.08 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 2ja2 s ALA 238 CO 0.82 -0.47 -0.00 -1.91 0.00 0.00 0.00 175.76 174.20 2ja2 n GLU 239 N -0.61 0.00 -4.07 0.00 4.07 -1.26 -4.25 120.64 114.52 2ja2 n GLU 239 Ca -0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2ja2 n GLU 239 Cb 0.65 -0.90 -0.12 0.00 -0.06 0.00 0.00 31.44 31.01 2ja2 n GLU 239 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2ja2 s ARG 240 N -2.00 0.47 0.07 5.31 1.81 -1.26 -5.00 118.95 118.35 2ja2 s ARG 240 Ca -0.00 -0.60 -0.27 0.00 -1.72 0.00 0.00 55.73 53.14 2ja2 s ARG 240 Cb 0.00 -0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 34.17 2ja2 s ARG 240 CO 0.00 0.05 0.86 0.42 -0.68 0.00 0.00 175.30 175.95 2ja2 s ILE 241 N -1.07 4.64 0.80 1.52 1.09 -1.26 -5.03 121.20 121.89 2ja2 s ILE 241 Ca -0.08 1.84 -0.10 0.00 -1.10 0.00 0.00 60.65 61.21 2ja2 s ILE 241 Cb -0.08 -4.22 0.07 0.00 -1.06 0.00 0.00 42.46 37.18 2ja2 s ILE 241 CO 0.00 0.33 1.10 -2.16 -0.10 0.00 0.00 174.94 174.11 2ja2 s PRO 242 N 0.03 2.02 0.46 2.79 0.04 -1.26 -5.03 135.00 134.05 2ja2 s PRO 242 Ca 0.43 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2ja2 s PRO 242 Cb -0.22 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2ja2 s PRO 242 CO 0.26 -1.82 0.91 0.15 0.04 0.00 0.00 177.00 176.54 2ja2 s LYS 243 N -4.87 3.95 0.02 4.56 1.02 -0.37 -4.91 119.74 119.13 2ja2 s LYS 243 Ca 0.62 0.83 0.08 0.00 0.02 0.00 0.00 55.97 57.53 2ja2 s LYS 243 Cb -0.18 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2ja2 s LYS 243 CO 0.56 -0.15 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.54 2ja2 s PHE 244 N -2.46 2.19 -0.16 3.18 0.40 -1.26 -0.19 117.98 119.68 2ja2 s PHE 244 Ca 0.57 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2ja2 s PHE 244 Cb -0.10 -1.35 0.05 0.00 0.51 0.00 0.00 43.02 42.14 2ja2 s PHE 244 CO 0.28 0.06 0.06 0.00 0.70 0.00 0.00 175.22 176.32 2ja2 s ALA 245 N -0.72 0.65 -0.26 5.36 0.00 0.45 -1.04 121.76 126.21 2ja2 s ALA 245 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2ja2 s ALA 245 Cb -0.10 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2ja2 s ALA 245 CO 0.01 -1.03 0.12 -1.01 0.00 0.00 0.00 175.76 173.85 2ja2 s HIS 246 N 2.02 3.16 0.38 0.00 3.76 -1.26 -1.98 115.29 121.37 2ja2 s HIS 246 Ca 0.02 -0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 2ja2 s HIS 246 Cb -0.16 -2.29 -0.09 0.00 1.11 0.00 0.00 32.58 31.15 2ja2 s HIS 246 CO -0.08 -0.24 0.81 -0.51 -0.85 0.00 0.00 174.74 173.87 2ja2 s LEU 247 N 1.61 3.94 0.31 0.89 1.43 0.21 -4.56 118.68 122.51 2ja2 s LEU 247 Ca 0.07 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.22 2ja2 s LEU 247 Cb -0.15 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 41.77 2ja2 s LEU 247 CO 0.07 -0.32 1.36 -2.16 0.23 0.00 0.00 176.35 175.53 2ja2 s PRO 248 N -3.33 4.31 0.27 1.29 0.04 -1.26 -0.73 135.00 135.59 2ja2 s PRO 248 Ca 0.55 2.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 2ja2 s PRO 248 Cb -0.10 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2ja2 s PRO 248 CO 0.21 -0.29 1.40 0.99 0.04 0.00 0.00 177.00 179.36 2ja2 s THR 249 N -0.83 2.67 -0.18 1.26 2.01 -1.26 -4.79 115.64 114.52 2ja2 s THR 249 Ca 0.52 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 2ja2 s THR 249 Cb -0.41 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2ja2 s THR 249 CO 0.51 0.11 1.05 -0.69 -0.69 0.00 0.00 174.62 174.91 2ja2 s VAL 250 N -0.36 4.68 0.14 3.82 1.01 -1.26 -3.94 120.40 124.49 2ja2 s VAL 250 Ca 0.56 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.56 2ja2 s VAL 250 Cb -0.41 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2ja2 s VAL 250 CO 0.47 -0.12 0.28 -0.76 0.00 0.00 0.00 175.10 174.97 2ja2 s LEU 251 N 2.83 4.33 0.00 3.92 1.43 0.49 -0.49 118.68 131.19 2ja2 s LEU 251 Ca 0.46 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2ja2 s LEU 251 Cb -0.17 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2ja2 s LEU 251 CO 0.10 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2ja2 n GLY 252 N -0.41 1.17 0.22 -3.19 0.00 -0.78 -1.14 105.19 101.06 2ja2 n GLY 252 Ca -0.06 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 44.85 2ja2 n GLY 252 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ja2 h GLU 253 N 0.00 0.00 0.00 1.61 4.57 -1.88 -3.42 114.58 115.46 2ja2 h GLU 253 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ja2 h GLU 253 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2ja2 h GLU 253 CO 0.00 0.20 0.00 0.41 -1.18 0.00 0.00 179.01 178.44 2ja2 n GLY 254 N 0.29 5.06 0.00 1.92 0.00 -1.26 -5.00 105.19 106.20 2ja2 n GLY 254 Ca 0.01 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.39 2ja2 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ja2 n THR 255 N 0.00 0.04 -3.30 2.61 -2.24 -1.26 -4.84 114.28 105.29 2ja2 n THR 255 Ca 0.00 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 2ja2 n THR 255 Cb 0.00 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 2ja2 n THR 255 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ja2 s LYS 256 N -2.86 4.06 0.37 -0.78 -2.85 -1.26 -4.98 119.74 111.44 2ja2 s LYS 256 Ca 0.18 0.59 -0.25 0.00 -1.00 0.00 0.00 55.97 55.49 2ja2 s LYS 256 Cb 0.19 -2.97 -0.12 0.00 -2.06 0.00 0.00 37.83 32.87 2ja2 s LYS 256 CO 0.49 0.49 0.92 1.17 0.10 0.00 0.00 175.35 178.52 2ja2 n LYS 257 N 0.93 1.18 -2.13 1.78 4.81 -1.26 -1.87 118.16 121.60 2ja2 n LYS 257 Ca -0.06 0.42 -0.42 0.00 -0.87 0.00 0.00 58.31 57.38 2ja2 n LYS 257 Cb 0.52 -1.86 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 2ja2 n LYS 257 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2ja2 s LEU 258 N 0.26 4.32 0.38 3.14 2.96 0.36 -4.31 118.68 125.79 2ja2 s LEU 258 Ca 0.62 2.21 -0.24 0.00 -0.22 0.00 0.00 54.13 56.50 2ja2 s LEU 258 Cb -0.62 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.41 2ja2 s LEU 258 CO 0.58 -0.79 0.96 -0.55 -1.32 0.00 0.00 176.35 175.23 2ja2 s SER 259 N 2.19 7.10 0.21 3.68 0.15 -1.26 -4.92 113.70 120.84 2ja2 s SER 259 Ca 0.67 1.79 0.19 0.00 0.70 0.00 0.00 55.95 59.30 2ja2 s SER 259 Cb -0.33 -2.56 0.87 0.00 -1.71 0.00 0.00 66.02 62.29 2ja2 s SER 259 CO 0.28 -0.25 1.58 0.29 1.20 0.00 0.00 173.24 176.35 2ja2 n LYS 260 N -0.06 0.13 0.00 5.44 5.02 -1.26 -1.29 118.16 126.13 2ja2 n LYS 260 Ca 0.05 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 2ja2 n LYS 260 Cb 0.52 -1.80 0.31 0.00 -0.02 0.00 0.00 35.03 34.04 2ja2 n LYS 260 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ja2 n ARG 261 N -2.05 0.16 -3.32 1.97 1.74 -1.26 -4.85 116.66 109.05 2ja2 n ARG 261 Ca 0.01 -0.09 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 2ja2 n ARG 261 Cb 0.14 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 2ja2 n ARG 261 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2ja2 s ASP 262 N -2.90 6.46 0.57 0.55 -1.08 -0.41 -4.97 116.67 114.89 2ja2 s ASP 262 Ca 0.14 0.55 0.29 0.00 -0.52 0.00 0.00 52.55 53.01 2ja2 s ASP 262 Cb 0.18 -2.26 1.71 0.00 -1.46 0.00 0.00 42.92 41.09 2ja2 s ASP 262 CO 0.65 -0.15 2.19 1.55 0.52 0.00 0.00 175.17 179.93 2ja2 h PRO 263 N 7.58 0.00 0.00 4.34 0.13 -1.88 0.23 132.00 142.40 2ja2 h PRO 263 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2ja2 h PRO 263 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ja2 h PRO 263 CO 0.72 0.04 0.00 0.37 -0.23 0.00 0.00 178.00 178.90 2ja2 h GLN 264 N 0.00 0.00 0.00 0.86 4.15 -1.93 -1.70 115.11 116.49 2ja2 h GLN 264 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ja2 h GLN 264 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2ja2 h GLN 264 CO 0.01 0.00 -0.20 -1.13 -1.93 0.00 0.00 178.83 175.58 2ja2 n SER 265 N -3.03 0.51 -4.56 -0.69 3.41 0.07 -4.79 113.62 104.54 2ja2 n SER 265 Ca -0.03 0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 2ja2 n SER 265 Cb 0.07 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 2ja2 n SER 265 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2ja2 s ASN 266 N -3.81 6.48 0.27 4.04 2.47 -0.64 -0.22 114.94 123.53 2ja2 s ASN 266 Ca 0.11 0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.48 2ja2 s ASN 266 Cb 0.15 -2.43 0.62 0.00 -1.45 0.00 0.00 41.25 38.14 2ja2 s ASN 266 CO 0.62 -1.00 1.71 0.25 -3.72 0.00 0.00 177.10 174.96 2ja2 h LEU 267 N 10.41 0.31 -0.17 3.21 5.85 -1.32 -0.63 115.31 132.97 2ja2 h LEU 267 Ca -0.24 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2ja2 h LEU 267 Cb 1.08 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2ja2 h LEU 267 CO 1.00 0.05 0.00 0.49 -0.34 0.00 0.00 178.44 179.64 2ja2 n PHE 268 N -5.03 0.57 -0.14 1.25 3.72 -1.26 -1.96 117.46 114.61 2ja2 n PHE 268 Ca 0.19 0.18 -0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2ja2 n PHE 268 Cb 0.56 -0.80 0.01 0.00 -0.94 0.00 0.00 39.48 38.31 2ja2 n PHE 268 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ja2 h ALA 269 N 2.57 0.70 -0.13 4.37 0.00 -1.40 0.48 119.26 125.86 2ja2 h ALA 269 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2ja2 h ALA 269 Cb 0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ja2 h ALA 269 CO 0.00 0.67 -0.04 0.45 0.00 0.00 0.00 179.25 180.33 2ja2 h HIS 270 N 0.81 0.29 -0.51 0.00 3.86 -1.31 -2.10 115.15 116.19 2ja2 h HIS 270 Ca 0.10 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2ja2 h HIS 270 Cb 0.82 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.14 2ja2 h HIS 270 CO 0.05 0.56 -0.53 -0.09 0.86 0.00 0.00 177.93 178.79 2ja2 h ARG 271 N -0.07 -0.27 -0.83 2.45 9.65 -1.32 -0.82 114.38 123.16 2ja2 h ARG 271 Ca 0.03 0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.08 2ja2 h ARG 271 Cb 0.48 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.06 2ja2 h ARG 271 CO 0.01 -0.18 0.54 0.22 2.80 0.00 0.00 179.97 183.36 2ja2 h ASP 272 N -0.28 0.52 0.35 -3.80 3.58 -0.74 0.20 116.42 116.25 2ja2 h ASP 272 Ca 0.09 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 2ja2 h ASP 272 Cb 0.51 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2ja2 h ASP 272 CO -0.63 0.27 -0.54 -0.09 -2.88 0.00 0.00 179.24 175.37 2ja2 h ARG 273 N 0.55 0.21 0.00 0.28 2.43 -1.03 -3.46 114.38 113.36 2ja2 h ARG 273 Ca 0.41 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2ja2 h ARG 273 Cb 0.79 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2ja2 h ARG 273 CO -0.16 0.69 0.00 0.41 -1.51 0.00 0.00 179.97 179.40 2ja2 n GLY 274 N 0.11 1.82 3.77 2.80 0.00 0.69 -1.57 105.19 112.80 2ja2 n GLY 274 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2ja2 n GLY 274 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ja2 s PHE 275 N -1.82 2.45 0.17 1.61 0.40 -0.42 -1.43 117.98 118.94 2ja2 s PHE 275 Ca 0.00 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.58 2ja2 s PHE 275 Cb 0.00 -3.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.51 2ja2 s PHE 275 CO 0.00 -3.06 0.28 0.96 0.70 0.00 0.00 175.22 174.11 2ja2 s ILE 276 N -1.17 5.21 0.22 0.64 -4.36 -1.26 -4.59 121.20 115.88 2ja2 s ILE 276 Ca 0.59 -0.80 -0.08 0.00 -0.26 0.00 0.00 60.65 60.10 2ja2 s ILE 276 Cb -0.45 -3.72 0.16 0.00 1.25 0.00 0.00 42.46 39.70 2ja2 s ILE 276 CO 0.59 -0.15 1.75 -0.65 0.24 0.00 0.00 174.94 176.72 2ja2 h PRO 277 N 1.96 0.44 -1.00 0.37 0.11 -1.93 -1.56 132.00 130.39 2ja2 h PRO 277 Ca -0.49 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2ja2 h PRO 277 Cb 1.20 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2ja2 h PRO 277 CO 0.66 0.29 0.64 0.93 -0.21 0.00 0.00 178.00 180.31 2ja2 h GLU 278 N 0.45 1.12 0.25 1.05 3.07 -1.94 -0.23 114.58 118.35 2ja2 h GLU 278 Ca 0.33 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 2ja2 h GLU 278 Cb 0.41 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2ja2 h GLU 278 CO -0.31 0.74 -0.12 0.78 -1.40 0.00 0.00 179.01 178.70 2ja2 h GLY 279 N 1.16 -0.35 1.60 -3.84 0.00 -1.63 -2.54 103.07 97.47 2ja2 h GLY 279 Ca 0.43 0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.75 2ja2 h GLY 279 CO -0.18 -0.13 -0.51 -2.00 0.00 0.00 0.00 176.54 173.73 2ja2 h LEU 280 N -0.53 0.47 -0.45 3.11 5.85 -1.09 -1.98 115.31 120.68 2ja2 h LEU 280 Ca -0.03 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2ja2 h LEU 280 Cb 0.39 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2ja2 h LEU 280 CO 0.06 0.90 0.14 -0.07 -0.34 0.00 0.00 178.44 179.12 2ja2 h LEU 281 N 0.34 0.67 -0.20 2.25 3.38 -1.11 -0.34 115.31 120.29 2ja2 h LEU 281 Ca 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2ja2 h LEU 281 Cb 1.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2ja2 h LEU 281 CO 0.09 0.70 0.11 -1.13 0.09 0.00 0.00 178.44 178.30 2ja2 h ASN 282 N 0.60 0.16 -0.10 -0.43 -0.00 -1.25 -1.08 115.58 113.49 2ja2 h ASN 282 Ca 0.15 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2ja2 h ASN 282 Cb 0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 2ja2 h ASN 282 CO -0.00 0.12 0.05 0.22 -0.00 0.00 0.00 177.43 177.82 2ja2 h TYR 283 N 0.22 0.14 0.00 0.67 3.20 -0.96 -3.01 116.97 117.23 2ja2 h TYR 283 Ca 0.08 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2ja2 h TYR 283 Cb 0.01 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2ja2 h TYR 283 CO -0.09 0.17 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.37 2ja2 h LEU 284 N 0.06 0.00 -2.29 2.82 3.38 -0.94 -0.75 115.31 117.59 2ja2 h LEU 284 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ja2 h LEU 284 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ja2 h LEU 284 CO -0.01 0.16 0.04 0.00 0.09 0.00 0.00 178.44 178.72 2ja2 h ALA 285 N 1.84 1.73 -0.01 1.53 0.00 -1.06 -2.36 119.26 120.94 2ja2 h ALA 285 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ja2 h ALA 285 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ja2 h ALA 285 CO 0.02 -0.06 -0.04 1.28 0.00 0.00 0.00 179.25 180.46 2ja2 n LEU 286 N -4.07 0.66 -3.92 0.00 4.77 -0.29 -3.41 117.00 110.74 2ja2 n LEU 286 Ca -0.02 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 2ja2 n LEU 286 Cb 0.13 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2ja2 n LEU 286 CO 0.30 0.11 1.75 0.18 -1.33 0.00 0.00 177.39 178.39 2ja2 n LEU 287 N -0.59 6.55 0.00 2.23 4.77 -0.89 -3.98 117.00 125.08 2ja2 n LEU 287 Ca 0.19 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.40 2ja2 n LEU 287 Cb 0.25 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2ja2 n LEU 287 CO 0.19 1.43 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 2ja2 n GLY 288 N 2.52 1.01 3.46 -0.72 0.00 -1.26 -4.80 105.19 105.40 2ja2 n GLY 288 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 2ja2 n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ja2 s TRP 289 N -2.00 0.82 -0.30 1.61 -0.00 -1.22 -1.24 118.94 116.61 2ja2 s TRP 289 Ca 0.00 -1.09 -0.16 0.00 -0.00 0.00 0.00 56.10 54.85 2ja2 s TRP 289 Cb 0.00 -0.09 0.17 0.00 -0.00 0.00 0.00 33.47 33.55 2ja2 s TRP 289 CO 0.00 -0.97 1.05 -1.54 -0.00 0.00 0.00 176.95 175.49 2ja2 s SER 290 N -3.14 -0.45 0.37 5.86 1.04 -1.26 -4.21 113.70 111.91 2ja2 s SER 290 Ca 0.29 0.64 0.17 0.00 0.48 0.00 0.00 55.95 57.53 2ja2 s SER 290 Cb 0.01 1.48 0.71 0.00 0.10 0.00 0.00 66.02 68.32 2ja2 s SER 290 CO 0.14 -0.09 1.76 -0.29 0.98 0.00 0.00 173.24 175.74 2ja2 h ILE 291 N 5.35 1.01 -1.91 -1.02 2.10 -1.94 -3.46 117.51 117.64 2ja2 h ILE 291 Ca -0.17 -1.48 0.09 0.00 1.08 0.00 0.00 64.86 64.38 2ja2 h ILE 291 Cb 1.13 1.86 -0.19 0.00 -1.09 0.00 0.00 36.82 38.53 2ja2 h ILE 291 CO 0.09 0.38 0.51 0.00 -1.08 0.00 0.00 178.15 178.06 2ja2 s ALA 292 N -3.77 -1.88 -0.55 0.18 0.00 -1.26 -5.04 121.76 109.45 2ja2 s ALA 292 Ca -0.01 1.31 0.25 0.00 0.00 0.00 0.00 51.96 53.51 2ja2 s ALA 292 Cb 0.12 -0.14 0.67 0.00 0.00 0.00 0.00 23.12 23.77 2ja2 s ALA 292 CO 0.70 -0.49 1.72 -0.44 0.00 0.00 0.00 175.76 177.24 2ja2 h ASP 293 N 2.31 0.00 -0.21 0.00 5.19 -2.04 -3.34 116.42 118.33 2ja2 h ASP 293 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2ja2 h ASP 293 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2ja2 h ASP 293 CO 0.31 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.53 2ja2 n ASP 294 N -2.65 2.90 -3.58 6.45 5.75 -1.26 -4.97 116.55 119.18 2ja2 n ASP 294 Ca 0.04 -1.86 -0.08 0.00 -0.01 0.00 0.00 54.79 52.89 2ja2 n ASP 294 Cb 0.45 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 2ja2 n ASP 294 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2ja2 s HIS 295 N -1.39 -0.28 -0.02 2.11 -3.43 -1.25 -5.06 115.29 105.98 2ja2 s HIS 295 Ca 0.28 0.43 0.02 0.00 -0.80 0.00 0.00 55.06 54.99 2ja2 s HIS 295 Cb 0.17 0.47 0.03 0.00 -1.43 0.00 0.00 32.58 31.83 2ja2 s HIS 295 CO 0.25 -0.29 0.87 -0.40 -2.00 0.00 0.00 174.74 173.17 2ja2 n ASP 296 N 0.52 1.33 -4.62 7.38 5.68 -1.26 -4.08 116.55 121.51 2ja2 n ASP 296 Ca -0.07 -1.84 -0.38 0.00 -0.50 0.00 0.00 54.79 51.99 2ja2 n ASP 296 Cb 0.58 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 2ja2 n ASP 296 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2ja2 s LEU 297 N -0.87 4.06 -0.07 -2.12 2.96 -1.26 -4.95 118.68 116.42 2ja2 s LEU 297 Ca 0.04 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 2ja2 s LEU 297 Cb 0.03 -2.29 0.09 0.00 0.50 0.00 0.00 46.19 44.53 2ja2 s LEU 297 CO 0.00 -0.09 0.81 0.72 -1.32 0.00 0.00 176.35 176.47 2ja2 s PHE 298 N 1.74 -0.52 0.76 5.38 -0.12 -1.26 -5.14 117.98 118.82 2ja2 s PHE 298 Ca 0.12 0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 57.78 2ja2 s PHE 298 Cb -0.15 0.45 0.14 0.00 -0.63 0.00 0.00 43.02 42.82 2ja2 s PHE 298 CO 0.09 -0.52 1.05 0.20 -0.05 0.00 0.00 175.22 175.99 2ja2 s GLY 299 N -1.37 1.76 0.15 1.99 0.00 -1.26 -4.67 107.32 103.92 2ja2 s GLY 299 Ca -0.05 -1.60 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 2ja2 s GLY 299 CO 0.04 -1.01 1.65 -2.00 0.00 0.00 0.00 173.10 171.78 2ja2 h LEU 300 N -0.73 0.75 -0.92 0.66 5.85 -1.98 -1.58 115.31 117.35 2ja2 h LEU 300 Ca -0.38 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.12 2ja2 h LEU 300 Cb 1.26 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2ja2 h LEU 300 CO 0.41 0.79 0.60 0.44 -0.34 0.00 0.00 178.44 180.34 2ja2 h ASP 301 N 0.67 1.03 -0.68 1.25 3.32 -1.99 -0.27 116.42 119.74 2ja2 h ASP 301 Ca 0.15 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2ja2 h ASP 301 Cb 0.35 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2ja2 h ASP 301 CO 0.00 0.73 0.19 -0.33 -1.72 0.00 0.00 179.24 178.11 2ja2 h GLU 302 N 1.21 1.09 -0.29 3.56 5.08 -1.84 -2.00 114.58 121.39 2ja2 h GLU 302 Ca 0.35 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2ja2 h GLU 302 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2ja2 h GLU 302 CO -0.09 0.95 0.13 1.98 -1.00 0.00 0.00 179.01 180.98 2ja2 h MET 303 N 1.04 0.43 -0.89 2.33 4.05 -0.76 -2.49 114.93 118.63 2ja2 h MET 303 Ca 0.22 -0.07 0.12 0.00 -0.28 0.00 0.00 59.70 59.69 2ja2 h MET 303 Cb 0.34 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.98 2ja2 h MET 303 CO -0.00 0.42 0.52 0.28 0.23 0.00 0.00 176.91 178.35 2ja2 h VAL 304 N 0.33 0.86 -0.07 -5.77 2.07 -0.89 0.14 116.25 112.92 2ja2 h VAL 304 Ca 0.10 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2ja2 h VAL 304 Cb 0.14 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2ja2 h VAL 304 CO -0.01 0.15 -0.49 0.00 0.02 0.00 0.00 177.57 177.23 2ja2 h ALA 305 N 1.51 1.04 0.00 1.67 0.00 -1.15 -3.32 119.26 119.02 2ja2 h ALA 305 Ca 0.45 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ja2 h ALA 305 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ja2 h ALA 305 CO -0.29 0.64 -1.99 0.00 0.00 0.00 0.00 179.25 177.61 2ja2 n ALA 306 N -2.46 2.62 -2.64 0.00 0.00 -0.81 -5.01 120.51 112.21 2ja2 n ALA 306 Ca -0.02 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 2ja2 n ALA 306 Cb 0.53 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 2ja2 n ALA 306 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ja2 s PHE 307 N -3.32 3.42 -0.00 0.00 2.19 0.43 -5.00 117.98 115.70 2ja2 s PHE 307 Ca -0.08 1.50 0.01 0.00 0.33 0.00 0.00 56.93 58.70 2ja2 s PHE 307 Cb 0.12 -3.24 -0.00 0.00 -1.31 0.00 0.00 43.02 38.59 2ja2 s PHE 307 CO 0.85 -0.47 -0.03 0.34 1.83 0.00 0.00 175.22 177.74 2ja2 s ASP 308 N 1.19 0.42 0.56 6.13 -1.08 -1.26 -4.68 116.67 117.95 2ja2 s ASP 308 Ca 0.49 -0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.71 2ja2 s ASP 308 Cb -0.19 -0.06 1.61 0.00 -1.46 0.00 0.00 42.92 42.82 2ja2 s ASP 308 CO 0.17 0.04 2.20 1.62 0.52 0.00 0.00 175.17 179.72 2ja2 h VAL 309 N 5.12 0.70 0.00 1.11 3.04 -1.96 -0.35 116.25 123.91 2ja2 h VAL 309 Ca -0.27 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2ja2 h VAL 309 Cb 1.19 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2ja2 h VAL 309 CO 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 177.57 177.01 2ja2 h ALA 310 N 1.98 1.41 -0.05 3.17 0.00 -1.96 -1.51 119.26 122.29 2ja2 h ALA 310 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ja2 h ALA 310 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ja2 h ALA 310 CO -0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2ja2 n ASP 311 N -3.75 1.93 -4.71 0.00 8.00 -0.14 -4.87 116.55 113.02 2ja2 n ASP 311 Ca -0.02 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 2ja2 n ASP 311 Cb 0.16 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2ja2 n ASP 311 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ja2 s VAL 312 N -1.95 3.53 0.21 2.53 1.01 -0.57 -4.70 120.40 120.46 2ja2 s VAL 312 Ca 0.35 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 2ja2 s VAL 312 Cb 0.20 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2ja2 s VAL 312 CO 0.32 0.05 0.42 0.54 0.00 0.00 0.00 175.10 176.43 2ja2 s ASN 313 N 1.40 6.41 -0.22 3.32 4.22 -0.37 -4.84 114.94 124.85 2ja2 s ASN 313 Ca 0.64 0.48 0.15 0.00 -2.14 0.00 0.00 52.86 51.98 2ja2 s ASN 313 Cb -0.34 -2.04 0.81 0.00 1.28 0.00 0.00 41.25 40.96 2ja2 s ASN 313 CO 0.29 -0.06 1.74 -1.54 -2.04 0.00 0.00 177.10 175.49 2ja2 n SER 314 N -0.61 5.65 -4.76 3.54 3.41 -1.26 -4.38 113.62 115.19 2ja2 n SER 314 Ca -0.04 -2.88 -0.33 0.00 -0.26 0.00 0.00 58.87 55.36 2ja2 n SER 314 Cb 0.54 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.87 2ja2 n SER 314 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ja2 s SER 315 N -0.81 4.91 -0.12 4.04 0.01 -1.26 -4.90 113.70 115.57 2ja2 s SER 315 Ca 0.54 2.01 -0.37 0.00 1.31 0.00 0.00 55.95 59.45 2ja2 s SER 315 Cb 0.41 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.95 2ja2 s SER 315 CO 0.17 -1.76 1.72 -2.65 0.41 0.00 0.00 173.24 171.13 2ja2 n PRO 316 N -2.62 1.61 -3.41 12.44 -0.02 -1.26 -4.87 135.00 136.87 2ja2 n PRO 316 Ca 0.10 0.59 -0.44 0.00 -2.02 0.00 0.00 63.50 61.74 2ja2 n PRO 316 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2ja2 n PRO 316 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ja2 s ALA 317 N 3.05 4.33 -0.11 3.55 0.00 -1.25 -4.99 121.76 126.34 2ja2 s ALA 317 Ca 0.93 -3.61 -0.22 0.00 0.00 0.00 0.00 51.96 49.05 2ja2 s ALA 317 Cb -0.88 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 18.84 2ja2 s ALA 317 CO 0.55 -2.21 0.67 0.50 0.00 0.00 0.00 175.76 175.27 2ja2 s ARG 318 N -0.66 4.37 0.03 0.00 3.52 -1.26 -0.38 118.95 124.56 2ja2 s ARG 318 Ca 0.24 0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 56.33 2ja2 s ARG 318 Cb -0.11 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.74 2ja2 s ARG 318 CO -0.09 -0.02 1.45 0.12 -0.81 0.00 0.00 175.30 175.95 2ja2 s PHE 319 N 1.12 2.81 -0.33 5.12 2.19 -0.29 -4.90 117.98 123.70 2ja2 s PHE 319 Ca 0.35 0.73 0.02 0.00 0.33 0.00 0.00 56.93 58.36 2ja2 s PHE 319 Cb -0.17 -3.73 0.10 0.00 -1.31 0.00 0.00 43.02 37.91 2ja2 s PHE 319 CO 0.15 -2.73 0.07 0.34 1.83 0.00 0.00 175.22 174.88 2ja2 s ASP 320 N 1.90 4.45 0.36 6.13 -1.08 -1.26 -4.84 116.67 122.33 2ja2 s ASP 320 Ca 0.66 -1.93 0.08 0.00 -0.52 0.00 0.00 52.55 50.85 2ja2 s ASP 320 Cb -0.34 -1.30 0.81 0.00 -1.46 0.00 0.00 42.92 40.63 2ja2 s ASP 320 CO 0.28 -0.39 1.91 -0.61 0.52 0.00 0.00 175.17 176.88 2ja2 h GLN 321 N 7.82 0.67 -0.40 4.34 5.75 -1.99 -1.54 115.11 129.76 2ja2 h GLN 321 Ca -0.08 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2ja2 h GLN 321 Cb 1.02 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2ja2 h GLN 321 CO 0.50 0.45 0.20 0.87 -2.65 0.00 0.00 178.83 178.20 2ja2 h LYS 322 N 0.69 0.57 -0.62 1.69 1.57 -1.99 0.90 116.57 119.39 2ja2 h LYS 322 Ca 0.39 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2ja2 h LYS 322 Cb 0.55 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2ja2 h LYS 322 CO -0.16 0.48 0.23 -0.22 -0.57 0.00 0.00 179.45 179.21 2ja2 h LYS 323 N 0.51 0.94 -0.42 3.15 1.63 -1.87 -0.71 116.57 119.80 2ja2 h LYS 323 Ca 0.14 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2ja2 h LYS 323 Cb 0.09 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2ja2 h LYS 323 CO -0.02 0.81 0.15 0.00 -3.45 0.00 0.00 179.45 176.94 2ja2 h ALA 324 N 1.08 0.55 -0.71 5.00 0.00 -1.04 -1.16 119.26 122.99 2ja2 h ALA 324 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ja2 h ALA 324 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2ja2 h ALA 324 CO -0.01 0.18 0.38 -0.44 0.00 0.00 0.00 179.25 179.35 2ja2 h ASP 325 N 0.54 0.90 -0.66 0.00 5.19 -0.67 -1.05 116.42 120.67 2ja2 h ASP 325 Ca 0.14 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 2ja2 h ASP 325 Cb 0.23 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2ja2 h ASP 325 CO -0.01 0.75 0.27 0.00 -3.12 0.00 0.00 179.24 177.13 2ja2 h ALA 326 N 1.19 0.85 -0.63 3.45 0.00 -0.83 -0.93 119.26 122.37 2ja2 h ALA 326 Ca 0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2ja2 h ALA 326 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ja2 h ALA 326 CO -0.04 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 2ja2 h LEU 327 N 0.92 1.04 -0.77 0.00 3.38 -1.05 -1.76 115.31 117.07 2ja2 h LEU 327 Ca 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ja2 h LEU 327 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2ja2 h LEU 327 CO -0.02 1.07 0.48 -1.13 0.09 0.00 0.00 178.44 178.93 2ja2 h ASN 328 N 0.99 0.91 -0.69 -0.43 -1.24 -0.70 -0.85 115.58 113.58 2ja2 h ASN 328 Ca 0.18 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 2ja2 h ASN 328 Cb 0.51 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2ja2 h ASN 328 CO 0.02 0.69 0.27 0.00 -1.29 0.00 0.00 177.43 177.13 2ja2 h ALA 329 N 1.26 0.90 -0.68 1.57 0.00 -0.97 0.12 119.26 121.46 2ja2 h ALA 329 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ja2 h ALA 329 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2ja2 h ALA 329 CO -0.05 0.52 0.38 0.93 0.00 0.00 0.00 179.25 181.03 2ja2 h GLU 330 N 0.99 0.95 -0.59 0.00 4.39 -1.02 -0.78 114.58 118.52 2ja2 h GLU 330 Ca 0.23 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 2ja2 h GLU 330 Cb 0.21 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2ja2 h GLU 330 CO -0.02 0.71 0.11 0.45 -1.16 0.00 0.00 179.01 179.09 2ja2 h HIS 331 N 0.94 0.98 -0.39 4.33 3.86 -0.72 -1.55 115.15 122.60 2ja2 h HIS 331 Ca 0.24 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2ja2 h HIS 331 Cb 0.03 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 2ja2 h HIS 331 CO -0.01 0.83 0.18 0.82 0.86 0.00 0.00 177.93 180.62 2ja2 h ILE 332 N 0.89 0.96 0.00 2.45 2.04 -0.59 -2.32 117.51 120.94 2ja2 h ILE 332 Ca 0.18 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2ja2 h ILE 332 Cb 0.37 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ja2 h ILE 332 CO 0.01 0.07 -0.13 0.03 0.00 0.00 0.00 178.15 178.12 2ja2 h ARG 333 N 0.38 0.00 0.00 2.37 3.08 -0.75 -2.59 114.38 116.87 2ja2 h ARG 333 Ca 0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2ja2 h ARG 333 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2ja2 h ARG 333 CO -0.13 0.13 -0.42 0.52 -1.07 0.00 0.00 179.97 179.00 2ja2 h MET 334 N 0.00 0.00 -6.92 0.04 2.86 -0.74 -3.46 114.93 106.70 2ja2 h MET 334 Ca -0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 2ja2 h MET 334 Cb 0.39 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.19 2ja2 h MET 334 CO 0.02 0.42 0.45 1.28 1.06 0.00 0.00 176.91 180.14 2ja2 n LEU 335 N -3.29 4.62 -4.77 1.22 4.77 -0.98 -4.99 117.00 113.58 2ja2 n LEU 335 Ca 0.01 0.98 -0.37 0.00 -0.03 0.00 0.00 56.01 56.60 2ja2 n LEU 335 Cb 0.65 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 2ja2 n LEU 335 CO 0.39 -0.91 0.84 1.51 -1.33 0.00 0.00 177.39 177.89 2ja2 s ASP 336 N -0.88 6.18 0.29 -1.43 1.47 -1.26 -4.82 116.67 116.21 2ja2 s ASP 336 Ca 0.69 2.34 -0.02 0.00 1.18 0.00 0.00 52.55 56.75 2ja2 s ASP 336 Cb -0.45 -2.61 0.43 0.00 -0.34 0.00 0.00 42.92 39.96 2ja2 s ASP 336 CO 0.51 -0.92 1.93 0.58 0.68 0.00 0.00 175.17 177.96 2ja2 h VAL 337 N 1.92 1.15 -0.74 2.11 2.07 -1.97 -0.43 116.25 120.37 2ja2 h VAL 337 Ca -0.49 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2ja2 h VAL 337 Cb 1.25 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2ja2 h VAL 337 CO 0.60 0.21 0.49 1.23 0.02 0.00 0.00 177.57 180.13 2ja2 h GLY 338 N 1.14 1.05 0.77 2.17 0.00 -1.99 0.27 103.07 106.48 2ja2 h GLY 338 Ca 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2ja2 h GLY 338 CO -0.11 0.38 -0.10 -1.80 0.00 0.00 0.00 176.54 174.92 2ja2 h ASP 339 N 1.01 -0.23 -0.49 0.19 3.58 -1.68 -2.38 116.42 116.42 2ja2 h ASP 339 Ca 0.27 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.62 2ja2 h ASP 339 Cb -0.12 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 2ja2 h ASP 339 CO -0.06 0.04 0.18 0.15 -2.88 0.00 0.00 179.24 176.67 2ja2 h PHE 340 N -0.51 0.32 -0.36 0.28 3.57 -0.90 -1.68 116.94 117.65 2ja2 h PHE 340 Ca -0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ja2 h PHE 340 Cb 0.39 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2ja2 h PHE 340 CO 0.00 0.11 0.18 1.15 -2.23 0.00 0.00 178.31 177.52 2ja2 h THR 341 N 0.36 0.98 -0.23 4.41 2.02 -0.36 0.12 112.91 120.22 2ja2 h THR 341 Ca 0.24 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2ja2 h THR 341 Cb 0.24 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2ja2 h THR 341 CO -0.24 0.07 0.09 0.58 0.37 0.00 0.00 175.52 176.40 2ja2 h VAL 342 N 0.37 1.16 -0.86 3.16 2.07 -1.10 0.01 116.25 121.06 2ja2 h VAL 342 Ca 0.15 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2ja2 h VAL 342 Cb 0.06 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2ja2 h VAL 342 CO -0.10 0.16 0.56 0.03 0.02 0.00 0.00 177.57 178.24 2ja2 h ARG 343 N 0.22 1.07 -0.14 1.57 3.08 -1.05 -1.51 114.38 117.62 2ja2 h ARG 343 Ca 0.08 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2ja2 h ARG 343 Cb 0.17 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2ja2 h ARG 343 CO -0.01 0.71 -0.20 1.25 -1.07 0.00 0.00 179.97 180.65 2ja2 h LEU 344 N 1.10 0.42 -0.17 3.04 5.85 -0.40 -0.97 115.31 124.19 2ja2 h LEU 344 Ca 0.33 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2ja2 h LEU 344 Cb -0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2ja2 h LEU 344 CO -0.10 0.85 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.74 2ja2 h ARG 345 N 0.00 0.02 -0.55 1.25 2.43 -0.90 -0.57 114.38 116.07 2ja2 h ARG 345 Ca 0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2ja2 h ARG 345 Cb 0.76 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2ja2 h ARG 345 CO 0.05 0.02 0.23 -0.44 -1.51 0.00 0.00 179.97 178.31 2ja2 h ASP 346 N 0.03 0.75 0.14 -3.80 3.32 -1.21 0.13 116.42 115.77 2ja2 h ASP 346 Ca 0.08 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ja2 h ASP 346 Cb 0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2ja2 h ASP 346 CO -0.16 0.71 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.23 2ja2 h HIS 347 N 0.74 -0.26 -0.20 4.55 2.76 -0.85 0.23 115.15 122.11 2ja2 h HIS 347 Ca 0.18 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2ja2 h HIS 347 Cb 0.19 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2ja2 h HIS 347 CO 0.01 -0.16 0.09 -0.07 -1.30 0.00 0.00 177.93 176.50 2ja2 h LEU 348 N -0.25 0.27 -0.40 0.26 3.38 -0.89 -2.66 115.31 115.03 2ja2 h LEU 348 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ja2 h LEU 348 Cb 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2ja2 h LEU 348 CO -0.00 0.33 0.23 0.44 0.09 0.00 0.00 178.44 179.53 2ja2 h ASP 349 N 0.19 0.38 0.08 -0.43 3.32 -0.64 -0.28 116.42 119.03 2ja2 h ASP 349 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2ja2 h ASP 349 Cb 0.14 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ja2 h ASP 349 CO -0.01 0.27 -0.00 0.35 -1.72 0.00 0.00 179.24 178.13 2ja2 n THR 350 N -4.86 0.00 -1.11 0.35 -2.24 0.06 -2.99 114.28 103.48 2ja2 n THR 350 Ca 0.01 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2ja2 n THR 350 Cb 0.06 -0.39 0.21 0.00 -2.10 0.00 0.00 70.33 68.11 2ja2 n THR 350 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ja2 n HIS 351 N -0.92 0.64 -3.21 4.78 8.25 -1.01 -4.97 115.22 118.78 2ja2 n HIS 351 Ca 0.22 -1.05 -0.23 0.00 -0.26 0.00 0.00 57.72 56.40 2ja2 n HIS 351 Cb 0.15 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 31.01 2ja2 n HIS 351 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ja2 n GLY 352 N -0.91 -0.52 1.96 -1.41 0.00 -1.16 -4.91 105.19 98.23 2ja2 n GLY 352 Ca 0.21 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 2ja2 n GLY 352 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ja2 n HIS 353 N -4.52 2.24 -1.54 1.61 8.25 -0.14 -5.05 115.22 116.06 2ja2 n HIS 353 Ca -0.07 -2.11 -0.52 0.00 -0.26 0.00 0.00 57.72 54.76 2ja2 n HIS 353 Cb 0.60 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 2ja2 n HIS 353 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ja2 n HIS 354 N -0.72 1.00 -3.72 4.41 -0.00 -1.23 -4.48 115.22 110.48 2ja2 n HIS 354 Ca 0.36 0.79 -0.35 0.00 0.46 0.00 0.00 57.72 58.99 2ja2 n HIS 354 Cb 0.92 -2.21 -0.08 0.00 -0.12 0.00 0.00 29.99 28.50 2ja2 n HIS 354 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2ja2 s ILE 355 N -0.08 5.41 -1.62 3.57 -1.09 -1.26 -5.00 121.20 121.13 2ja2 s ILE 355 Ca 0.79 0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 59.33 2ja2 s ILE 355 Cb -0.99 -3.48 -0.08 0.00 -1.58 0.00 0.00 42.46 36.33 2ja2 s ILE 355 CO 0.53 0.44 2.93 0.00 -1.23 0.00 0.00 174.94 177.61 2ja2 n ALA 356 N 3.46 7.50 -2.78 9.38 0.00 -1.26 -4.80 120.51 132.02 2ja2 n ALA 356 Ca -0.16 -3.56 -0.15 0.00 0.00 0.00 0.00 53.44 49.57 2ja2 n ALA 356 Cb 0.52 -3.37 -0.14 0.00 0.00 0.00 0.00 19.45 16.47 2ja2 n ALA 356 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ja2 s LEU 357 N 0.16 2.09 1.11 0.00 1.43 -1.26 -4.84 118.68 117.36 2ja2 s LEU 357 Ca 0.69 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 2ja2 s LEU 357 Cb 0.18 -0.26 0.24 0.00 0.03 0.00 0.00 46.19 46.38 2ja2 s LEU 357 CO -0.06 -0.01 1.13 1.51 0.23 0.00 0.00 176.35 179.15 2ja2 s ASP 358 N -0.58 1.72 0.13 2.29 1.47 -1.26 -4.52 116.67 115.93 2ja2 s ASP 358 Ca -0.01 0.73 -0.16 0.00 1.18 0.00 0.00 52.55 54.29 2ja2 s ASP 358 Cb -0.05 -1.08 -0.01 0.00 -0.34 0.00 0.00 42.92 41.45 2ja2 s ASP 358 CO 0.00 -3.64 1.71 -0.33 0.68 0.00 0.00 175.17 173.59 2ja2 h GLU 359 N -2.25 0.56 -0.14 2.11 5.08 -1.99 0.19 114.58 118.13 2ja2 h GLU 359 Ca -0.48 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 57.68 2ja2 h GLU 359 Cb 1.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2ja2 h GLU 359 CO 0.42 0.49 -0.45 0.00 -1.00 0.00 0.00 179.01 178.47 2ja2 h ALA 360 N 1.03 0.96 -0.44 3.43 0.00 -2.00 -1.48 119.26 120.76 2ja2 h ALA 360 Ca 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2ja2 h ALA 360 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ja2 h ALA 360 CO -0.02 0.64 -0.22 0.00 0.00 0.00 0.00 179.25 179.65 2ja2 h ALA 361 N 1.23 0.77 -0.50 0.00 0.00 -1.76 -2.11 119.26 116.89 2ja2 h ALA 361 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2ja2 h ALA 361 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ja2 h ALA 361 CO 0.08 0.66 -0.04 0.35 0.00 0.00 0.00 179.25 180.30 2ja2 h PHE 362 N 0.77 0.95 -0.65 0.00 3.57 -0.26 -1.16 116.94 120.16 2ja2 h PHE 362 Ca 0.10 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.47 2ja2 h PHE 362 Cb 0.77 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 2ja2 h PHE 362 CO 0.05 0.88 0.41 0.00 -2.23 0.00 0.00 178.31 177.42 2ja2 h ALA 363 N 1.15 0.84 -0.51 2.41 0.00 -1.05 0.38 119.26 122.49 2ja2 h ALA 363 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ja2 h ALA 363 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ja2 h ALA 363 CO 0.03 0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.77 2ja2 h ALA 364 N 1.27 0.65 -0.54 0.00 0.00 -1.11 -1.24 119.26 118.28 2ja2 h ALA 364 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2ja2 h ALA 364 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ja2 h ALA 364 CO -0.09 0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.33 2ja2 h ALA 365 N 1.14 1.03 -0.67 0.00 0.00 -0.55 -2.63 119.26 117.58 2ja2 h ALA 365 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ja2 h ALA 365 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ja2 h ALA 365 CO -0.03 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.09 2ja2 h ALA 366 N 1.19 0.87 -0.71 0.00 0.00 -0.00 -2.25 119.26 118.36 2ja2 h ALA 366 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ja2 h ALA 366 Cb 0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2ja2 h ALA 366 CO 0.02 0.49 0.44 1.49 0.00 0.00 0.00 179.25 181.69 2ja2 h GLU 367 N 0.95 0.82 0.00 0.00 4.81 -1.03 -0.81 114.58 119.33 2ja2 h GLU 367 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2ja2 h GLU 367 Cb 0.21 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2ja2 h GLU 367 CO -0.02 0.54 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.72 2ja2 h LEU 368 N 0.85 0.00 -1.42 1.64 3.38 -1.05 -3.25 115.31 115.46 2ja2 h LEU 368 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2ja2 h LEU 368 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ja2 h LEU 368 CO -0.12 0.02 0.00 1.33 0.09 0.00 0.00 178.44 179.75 2ja2 n VAL 369 N -3.32 0.10 0.01 1.22 0.24 -0.39 -4.69 118.33 111.50 2ja2 n VAL 369 Ca -0.02 -0.55 0.09 0.00 -2.04 0.00 0.00 64.34 61.81 2ja2 n VAL 369 Cb 0.12 1.07 0.50 0.00 -1.47 0.00 0.00 33.84 34.07 2ja2 n VAL 369 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2ja2 h GLN 370 N 1.29 0.37 -0.35 7.34 4.15 -1.38 -1.10 115.11 125.42 2ja2 h GLN 370 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2ja2 h GLN 370 Cb 0.31 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2ja2 h GLN 370 CO 0.00 0.24 0.00 0.25 -1.93 0.00 0.00 178.83 177.39 2ja2 n THR 371 N -4.48 0.46 -1.57 2.39 -2.24 -1.26 -4.36 114.28 103.22 2ja2 n THR 371 Ca 0.05 -0.55 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 2ja2 n THR 371 Cb 0.22 0.44 0.11 0.00 -2.10 0.00 0.00 70.33 69.01 2ja2 n THR 371 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ja2 n ARG 372 N 0.78 0.94 -4.19 -0.78 1.74 -0.42 -5.03 116.66 109.70 2ja2 n ARG 372 Ca 0.16 -2.37 -0.17 0.00 -0.77 0.00 0.00 57.85 54.70 2ja2 n ARG 372 Cb 0.41 -1.14 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 2ja2 n ARG 372 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2ja2 s ILE 373 N -2.03 1.13 -0.16 0.55 -4.36 -1.24 -5.02 121.20 110.07 2ja2 s ILE 373 Ca 0.27 -1.48 0.16 0.00 -0.26 0.00 0.00 60.65 59.34 2ja2 s ILE 373 Cb 0.26 -1.25 -0.24 0.00 1.25 0.00 0.00 42.46 42.48 2ja2 s ILE 373 CO -0.03 -0.35 0.23 1.33 0.24 0.00 0.00 174.94 176.37 2ja2 n VAL 374 N 0.93 1.46 -4.11 8.37 0.24 -1.26 -4.68 118.33 119.27 2ja2 n VAL 374 Ca -0.19 -0.83 -0.09 0.00 -2.04 0.00 0.00 64.34 61.19 2ja2 n VAL 374 Cb 0.56 -0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 2ja2 n VAL 374 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2ja2 s VAL 375 N -2.52 0.40 0.35 3.34 -7.23 -1.26 -3.50 120.40 109.97 2ja2 s VAL 375 Ca -0.09 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2ja2 s VAL 375 Cb 0.07 -1.43 0.23 0.00 0.56 0.00 0.00 36.38 35.81 2ja2 s VAL 375 CO 0.82 -0.88 1.96 -0.07 -0.31 0.00 0.00 175.10 176.63 2ja2 h LEU 376 N 3.28 0.64 -1.90 1.32 3.38 -1.36 -2.24 115.31 118.43 2ja2 h LEU 376 Ca -0.34 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ja2 h LEU 376 Cb 1.16 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ja2 h LEU 376 CO 0.62 0.54 0.05 1.23 0.09 0.00 0.00 178.44 180.97 2ja2 h GLY 377 N 0.81 0.13 1.93 0.83 0.00 -1.55 -2.51 103.07 102.70 2ja2 h GLY 377 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2ja2 h GLY 377 CO -0.03 0.05 0.04 -0.55 0.00 0.00 0.00 176.54 176.04 2ja2 h ASP 378 N 0.12 0.00 0.50 0.19 3.32 -1.63 -2.32 116.42 116.59 2ja2 h ASP 378 Ca 0.03 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2ja2 h ASP 378 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ja2 h ASP 378 CO -0.01 0.00 -0.26 0.00 -1.72 0.00 0.00 179.24 177.25 2ja2 h ALA 379 N 1.93 1.26 -0.13 3.45 0.00 -1.62 -2.96 119.26 121.19 2ja2 h ALA 379 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2ja2 h ALA 379 Cb 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2ja2 h ALA 379 CO -0.00 0.32 -0.13 2.35 0.00 0.00 0.00 179.25 181.80 2ja2 h TRP 380 N 0.00 -0.32 -0.11 0.00 2.91 -1.63 -0.04 115.95 116.76 2ja2 h TRP 380 Ca -0.00 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.99 2ja2 h TRP 380 Cb 0.58 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 2ja2 h TRP 380 CO 0.00 -0.19 -0.16 0.93 -1.03 0.00 0.00 178.44 177.99 2ja2 h GLU 381 N -0.15 0.17 0.00 2.65 4.39 -1.72 0.84 114.58 120.76 2ja2 h GLU 381 Ca 0.09 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 2ja2 h GLU 381 Cb 0.28 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2ja2 h GLU 381 CO -0.22 0.34 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.26 2ja2 h LEU 382 N 0.16 0.00 0.00 1.33 3.38 -1.36 -3.38 115.31 115.45 2ja2 h LEU 382 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ja2 h LEU 382 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ja2 h LEU 382 CO 0.03 0.64 -0.80 0.18 0.09 0.00 0.00 178.44 178.57 2ja2 n LEU 383 N -3.28 0.27 0.20 1.67 4.77 -0.07 -4.63 117.00 115.92 2ja2 n LEU 383 Ca 0.01 -0.31 0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2ja2 n LEU 383 Cb 0.78 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.55 2ja2 n LEU 383 CO 0.42 0.07 0.92 0.07 -1.33 0.00 0.00 177.39 177.53 2ja2 h LYS 384 N 0.00 0.00 0.00 3.23 2.10 -1.01 -1.79 116.57 119.10 2ja2 h LYS 384 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ja2 h LYS 384 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ja2 h LYS 384 CO 0.00 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.72 2ja2 h PHE 385 N 0.00 0.00 0.00 0.07 -0.00 -1.84 0.13 116.94 115.30 2ja2 h PHE 385 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2ja2 h PHE 385 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.12 2ja2 h PHE 385 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 178.31 179.05 2ja2 h PHE 386 N 0.00 0.00 -3.63 6.09 0.04 -1.69 -3.42 116.94 114.33 2ja2 h PHE 386 Ca 0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 2ja2 h PHE 386 Cb 0.06 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.05 2ja2 h PHE 386 CO 0.00 0.00 -0.14 -0.80 -0.60 0.00 0.00 178.31 176.77 2ja2 s ASN 387 N -4.95 6.26 0.41 2.17 -0.87 0.44 -4.68 114.94 113.71 2ja2 s ASN 387 Ca 0.03 -0.11 0.11 0.00 -1.57 0.00 0.00 52.86 51.32 2ja2 s ASN 387 Cb 0.09 -2.24 0.92 0.00 -0.02 0.00 0.00 41.25 40.00 2ja2 s ASN 387 CO 0.48 -0.43 1.97 0.44 -2.57 0.00 0.00 177.10 176.99 2ja2 h ASP 388 N 8.46 0.48 0.39 -1.22 3.32 -1.83 0.02 116.42 126.04 2ja2 h ASP 388 Ca -0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2ja2 h ASP 388 Cb 1.13 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2ja2 h ASP 388 CO 0.74 0.30 0.00 -0.90 -1.72 0.00 0.00 179.24 177.66 2ja2 n ASP 389 N -4.48 0.00 -0.01 6.45 5.75 -1.26 -3.25 116.55 119.75 2ja2 n ASP 389 Ca 0.10 -0.29 0.05 0.00 -0.01 0.00 0.00 54.79 54.65 2ja2 n ASP 389 Cb 0.32 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.11 2ja2 n ASP 389 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ja2 n GLN 390 N -1.22 0.36 -2.10 0.11 1.13 -0.09 -5.00 117.38 110.57 2ja2 n GLN 390 Ca 0.15 -0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 2ja2 n GLN 390 Cb 0.19 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 2ja2 n GLN 390 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2ja2 s TYR 391 N -2.72 3.17 -0.17 1.08 5.04 -0.70 -4.82 117.35 118.22 2ja2 s TYR 391 Ca -0.04 0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 55.42 2ja2 s TYR 391 Cb 0.07 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.69 2ja2 s TYR 391 CO 0.44 -2.56 0.44 0.54 -1.34 0.00 0.00 175.55 173.07 2ja2 s VAL 392 N 0.72 -0.01 -0.38 3.14 0.11 -1.26 -5.02 120.40 117.68 2ja2 s VAL 392 Ca 0.63 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2ja2 s VAL 392 Cb -0.39 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2ja2 s VAL 392 CO 0.34 0.02 1.09 -0.63 -3.33 0.00 0.00 175.10 172.60 2ja2 s ILE 393 N 0.89 4.39 -0.18 7.04 1.01 -1.26 -4.42 121.20 128.67 2ja2 s ILE 393 Ca -0.05 1.51 -0.37 0.00 0.00 0.00 0.00 60.65 61.74 2ja2 s ILE 393 Cb -0.06 -4.49 -0.13 0.00 0.01 0.00 0.00 42.46 37.79 2ja2 s ILE 393 CO -0.07 -0.69 1.86 -0.67 0.00 0.00 0.00 174.94 175.36 2ja2 n ASP 394 N 7.25 2.96 0.28 3.58 -0.08 -0.15 -4.87 116.55 125.52 2ja2 n ASP 394 Ca 0.12 0.97 0.13 0.00 -1.51 0.00 0.00 54.79 54.49 2ja2 n ASP 394 Cb 0.48 -1.28 0.82 0.00 2.34 0.00 0.00 41.12 43.48 2ja2 n ASP 394 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ja2 h PRO 395 N 8.75 0.00 0.00 -0.67 0.11 -1.93 -1.58 132.00 136.68 2ja2 h PRO 395 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2ja2 h PRO 395 Cb 1.29 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.42 2ja2 h PRO 395 CO 0.96 0.02 -1.03 -0.22 -0.21 0.00 0.00 178.00 177.52 2ja2 h LYS 396 N 0.00 0.65 -0.68 1.05 3.64 -1.98 -1.73 116.57 117.51 2ja2 h LYS 396 Ca -0.00 -0.70 -0.01 0.00 -1.27 0.00 0.00 60.65 58.67 2ja2 h LYS 396 Cb 0.05 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2ja2 h LYS 396 CO 0.00 1.29 0.39 0.00 -2.27 0.00 0.00 179.45 178.86 2ja2 h ALA 397 N 0.47 1.41 0.33 5.00 0.00 -1.72 -2.41 119.26 122.34 2ja2 h ALA 397 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2ja2 h ALA 397 Cb 1.68 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ja2 h ALA 397 CO 0.20 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 2ja2 h ALA 398 N 1.49 -0.44 -0.72 0.00 0.00 -1.23 0.27 119.26 118.63 2ja2 h ALA 398 Ca 0.24 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2ja2 h ALA 398 Cb -0.01 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 2ja2 h ALA 398 CO -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 179.25 178.75 2ja2 h ALA 399 N -0.65 0.76 -0.19 0.00 0.00 -1.35 0.66 119.26 118.49 2ja2 h ALA 399 Ca -0.05 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2ja2 h ALA 399 Cb 0.51 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ja2 h ALA 399 CO 0.07 -0.40 -0.20 -0.22 0.00 0.00 0.00 179.25 178.50 2ja2 h LYS 400 N 0.13 0.47 0.00 0.00 3.64 -1.39 -3.38 116.57 116.03 2ja2 h LYS 400 Ca 0.39 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2ja2 h LYS 400 Cb 0.67 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2ja2 h LYS 400 CO -0.61 0.83 -1.94 0.39 -2.27 0.00 0.00 179.45 175.85 2ja2 n GLU 401 N -4.46 0.63 -1.48 1.90 -0.58 0.94 -4.53 120.64 113.06 2ja2 n GLU 401 Ca -0.05 -0.17 -0.21 0.00 -0.42 0.00 0.00 57.16 56.30 2ja2 n GLU 401 Cb 0.40 -1.48 0.09 0.00 -0.57 0.00 0.00 31.44 29.88 2ja2 n GLU 401 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ja2 n LEU 402 N -2.23 5.43 0.00 -4.62 4.77 0.23 -4.00 117.00 116.58 2ja2 n LEU 402 Ca -0.05 -4.34 -0.23 0.00 -0.03 0.00 0.00 56.01 51.35 2ja2 n LEU 402 Cb 0.56 -0.60 0.18 0.00 -2.33 0.00 0.00 43.42 41.23 2ja2 n LEU 402 CO 0.42 1.69 0.58 0.61 -1.33 0.00 0.00 177.39 179.36 2ja2 n GLY 403 N -0.89 -2.12 0.31 -0.72 0.00 -1.25 -4.52 105.19 96.00 2ja2 n GLY 403 Ca 0.46 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 45.04 2ja2 n GLY 403 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ja2 h PRO 404 N 0.00 0.22 0.34 1.61 0.11 -1.96 0.49 132.00 132.81 2ja2 h PRO 404 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2ja2 h PRO 404 Cb 0.97 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2ja2 h PRO 404 CO 0.23 0.14 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.56 2ja2 h ASP 405 N 0.22 -0.38 -0.82 -2.05 3.32 -1.92 0.19 116.42 114.98 2ja2 h ASP 405 Ca 0.58 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.61 2ja2 h ASP 405 Cb 1.20 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.80 2ja2 h ASP 405 CO -0.65 -0.17 0.51 1.23 -1.72 0.00 0.00 179.24 178.45 2ja2 h GLY 406 N -0.59 1.22 0.20 2.75 0.00 -1.61 -1.54 103.07 103.49 2ja2 h GLY 406 Ca -0.05 -0.38 0.13 0.00 0.00 0.00 0.00 47.33 47.03 2ja2 h GLY 406 CO 0.08 0.29 0.25 0.00 0.00 0.00 0.00 176.54 177.16 2ja2 h ALA 407 N 1.37 0.95 -0.98 3.60 0.00 0.22 -0.28 119.26 124.14 2ja2 h ALA 407 Ca 0.35 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2ja2 h ALA 407 Cb 0.10 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2ja2 h ALA 407 CO -0.15 -0.22 0.65 0.00 0.00 0.00 0.00 179.25 179.53 2ja2 h ALA 408 N 1.51 1.27 -0.37 0.00 0.00 -0.32 -1.87 119.26 119.49 2ja2 h ALA 408 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2ja2 h ALA 408 Cb 0.55 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ja2 h ALA 408 CO -0.39 0.59 0.17 0.28 0.00 0.00 0.00 179.25 179.90 2ja2 h VAL 409 N 1.29 1.17 -0.95 0.00 2.07 -0.12 -2.67 116.25 117.05 2ja2 h VAL 409 Ca 0.37 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.47 2ja2 h VAL 409 Cb -0.08 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2ja2 h VAL 409 CO -0.10 0.19 0.61 -0.07 0.02 0.00 0.00 177.57 178.22 2ja2 h LEU 410 N 0.45 0.92 -0.43 2.57 3.38 -0.98 -0.54 115.31 120.68 2ja2 h LEU 410 Ca 0.12 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2ja2 h LEU 410 Cb 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2ja2 h LEU 410 CO -0.01 0.56 0.26 0.44 0.09 0.00 0.00 178.44 179.77 2ja2 h ASP 411 N 1.03 0.42 -0.32 -0.43 5.19 -1.02 -0.21 116.42 121.08 2ja2 h ASP 411 Ca 0.43 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.74 2ja2 h ASP 411 Cb 0.29 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2ja2 h ASP 411 CO -0.18 0.30 -0.19 0.00 -3.12 0.00 0.00 179.24 176.05 2ja2 h ALA 412 N 1.18 0.45 -0.76 3.45 0.00 -1.15 -2.98 119.26 119.46 2ja2 h ALA 412 Ca 0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2ja2 h ALA 412 Cb -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2ja2 h ALA 412 CO -0.07 0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.81 2ja2 h ALA 413 N 0.75 0.99 -0.49 0.00 0.00 -0.80 0.10 119.26 119.81 2ja2 h ALA 413 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ja2 h ALA 413 Cb 0.74 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2ja2 h ALA 413 CO 0.05 0.67 0.32 -0.07 0.00 0.00 0.00 179.25 180.23 2ja2 h LEU 414 N 1.13 0.56 -0.53 0.00 3.38 -1.02 0.44 115.31 119.26 2ja2 h LEU 414 Ca 0.25 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2ja2 h LEU 414 Cb 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ja2 h LEU 414 CO -0.01 0.40 -0.12 0.00 0.09 0.00 0.00 178.44 178.80 2ja2 h ALA 415 N 1.19 0.73 -0.47 1.53 0.00 -1.35 -2.76 119.26 118.12 2ja2 h ALA 415 Ca 0.18 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.83 2ja2 h ALA 415 Cb -0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 2ja2 h ALA 415 CO -0.04 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2ja2 h ALA 416 N 0.91 0.37 0.00 0.00 0.00 0.21 -2.78 119.26 117.96 2ja2 h ALA 416 Ca 0.14 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2ja2 h ALA 416 Cb 0.69 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ja2 h ALA 416 CO 0.05 -0.43 -0.17 -0.07 0.00 0.00 0.00 179.25 178.63 2ja2 h LEU 417 N 0.04 0.00 -1.34 0.00 3.38 0.09 -2.51 115.31 114.97 2ja2 h LEU 417 Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2ja2 h LEU 417 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ja2 h LEU 417 CO -0.45 0.17 -0.30 0.71 0.09 0.00 0.00 178.44 178.67 2ja2 h THR 418 N 0.00 0.95 0.00 0.22 1.35 -1.23 -2.40 112.91 111.80 2ja2 h THR 418 Ca -0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2ja2 h THR 418 Cb 0.61 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2ja2 h THR 418 CO 0.02 0.29 0.00 -1.54 -0.25 0.00 0.00 175.52 174.05 2ja2 n SER 419 N -3.80 0.00 -4.68 5.36 3.41 -0.95 -4.82 113.62 108.15 2ja2 n SER 419 Ca -0.01 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.65 2ja2 n SER 419 Cb 0.39 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2ja2 n SER 419 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ja2 s VAL 420 N -2.28 4.41 0.01 -3.33 1.01 -0.91 -4.91 120.40 114.39 2ja2 s VAL 420 Ca 0.36 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 2ja2 s VAL 420 Cb 0.20 -4.10 -0.35 0.00 0.00 0.00 0.00 36.38 32.13 2ja2 s VAL 420 CO 0.39 -0.05 0.97 0.71 0.00 0.00 0.00 175.10 177.11 2ja2 h THR 421 N 5.20 1.35 -4.14 3.92 1.35 -1.89 -3.44 112.91 115.25 2ja2 h THR 421 Ca -0.30 -2.65 -0.56 0.00 -0.55 0.00 0.00 66.41 62.35 2ja2 h THR 421 Cb 1.13 3.10 -0.30 0.00 -1.73 0.00 0.00 68.15 70.35 2ja2 h THR 421 CO 0.91 0.78 -0.84 -0.62 -0.25 0.00 0.00 175.52 175.51 2ja2 s ASP 422 N -7.42 2.13 -1.22 5.36 2.15 -1.26 -5.06 116.67 111.36 2ja2 s ASP 422 Ca -0.10 -0.34 -0.14 0.00 0.43 0.00 0.00 52.55 52.40 2ja2 s ASP 422 Cb 0.03 -0.40 0.17 0.00 -0.30 0.00 0.00 42.92 42.42 2ja2 s ASP 422 CO 0.92 0.19 1.45 1.87 -0.17 0.00 0.00 175.17 179.42 2ja2 n TRP 423 N 2.86 4.96 -4.34 -5.34 -0.00 -1.26 -4.69 117.44 109.64 2ja2 n TRP 423 Ca -0.16 -3.35 -0.20 0.00 -0.00 0.00 0.00 57.50 53.79 2ja2 n TRP 423 Cb 0.53 -2.20 -0.11 0.00 -0.00 0.00 0.00 31.31 29.54 2ja2 n TRP 423 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2ja2 s THR 424 N 1.62 1.77 0.16 5.87 -4.23 -1.26 -4.83 115.64 114.74 2ja2 s THR 424 Ca 0.43 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.73 2ja2 s THR 424 Cb -0.03 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.91 2ja2 s THR 424 CO 0.00 -0.46 1.79 0.00 -0.54 0.00 0.00 174.62 175.42 2ja2 h ALA 425 N 2.91 0.50 -0.81 3.99 0.00 -1.91 -0.42 119.26 123.52 2ja2 h ALA 425 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ja2 h ALA 425 Cb 1.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2ja2 h ALA 425 CO 0.56 -0.12 0.51 -1.35 0.00 0.00 0.00 179.25 178.85 2ja2 h PRO 426 N 0.45 1.08 0.04 0.00 0.11 -1.97 0.31 132.00 132.02 2ja2 h PRO 426 Ca 0.16 -0.08 -0.24 0.00 0.11 0.00 0.00 66.00 65.95 2ja2 h PRO 426 Cb 0.04 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.92 2ja2 h PRO 426 CO -0.09 0.74 -1.03 -0.07 -0.21 0.00 0.00 178.00 177.34 2ja2 h LEU 427 N 1.11 0.49 -0.20 2.35 3.38 -1.74 -0.10 115.31 120.60 2ja2 h LEU 427 Ca 0.29 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ja2 h LEU 427 Cb -0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2ja2 h LEU 427 CO -0.06 1.26 0.08 0.40 0.09 0.00 0.00 178.44 180.21 2ja2 h ILE 428 N 0.18 0.96 -0.23 1.22 2.04 -0.98 -1.73 117.51 118.98 2ja2 h ILE 428 Ca -0.10 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2ja2 h ILE 428 Cb 1.69 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2ja2 h ILE 428 CO 0.18 0.03 0.01 -0.08 0.00 0.00 0.00 178.15 178.29 2ja2 h GLU 429 N 0.18 0.08 -0.66 2.37 4.81 -0.80 -1.56 114.58 119.01 2ja2 h GLU 429 Ca 0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2ja2 h GLU 429 Cb 0.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2ja2 h GLU 429 CO -0.08 0.06 0.27 0.00 -0.73 0.00 0.00 179.01 178.52 2ja2 h ALA 430 N 1.19 0.86 -0.25 2.92 0.00 -0.95 0.13 119.26 123.16 2ja2 h ALA 430 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ja2 h ALA 430 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ja2 h ALA 430 CO -0.17 0.48 0.07 0.00 0.00 0.00 0.00 179.25 179.63 2ja2 h ALA 431 N 1.12 0.33 -0.39 0.00 0.00 -1.05 0.73 119.26 120.00 2ja2 h ALA 431 Ca 0.22 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2ja2 h ALA 431 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ja2 h ALA 431 CO -0.02 -0.03 -0.38 -0.07 0.00 0.00 0.00 179.25 178.76 2ja2 h LEU 432 N 0.24 0.99 -0.74 0.00 3.38 -1.05 -2.72 115.31 115.40 2ja2 h LEU 432 Ca 0.08 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 2ja2 h LEU 432 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ja2 h LEU 432 CO -0.00 1.24 -0.29 0.11 0.09 0.00 0.00 178.44 179.59 2ja2 h LYS 433 N 0.76 0.64 -0.61 1.13 1.57 -0.67 0.10 116.57 119.49 2ja2 h LYS 433 Ca 0.06 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2ja2 h LYS 433 Cb 0.97 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2ja2 h LYS 433 CO 0.09 0.85 0.35 -0.44 -0.57 0.00 0.00 179.45 179.74 2ja2 h ASP 434 N 0.55 0.54 0.14 0.86 3.32 -0.81 -0.60 116.42 120.41 2ja2 h ASP 434 Ca 0.07 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 2ja2 h ASP 434 Cb 0.78 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.25 2ja2 h ASP 434 CO 0.06 0.36 -1.02 0.00 -1.72 0.00 0.00 179.24 176.92 2ja2 h ALA 435 N 1.30 -0.01 0.02 3.45 0.00 -1.39 -1.40 119.26 121.23 2ja2 h ALA 435 Ca 0.26 -0.82 -0.35 0.00 0.00 0.00 0.00 54.91 54.00 2ja2 h ALA 435 Cb 0.11 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2ja2 h ALA 435 CO -0.15 0.52 -2.15 1.28 0.00 0.00 0.00 179.25 178.76 2ja2 n LEU 436 N -4.05 1.12 -0.06 0.00 7.99 0.01 -1.96 117.00 120.05 2ja2 n LEU 436 Ca -0.17 0.13 -0.06 0.00 -0.01 0.00 0.00 56.01 55.90 2ja2 n LEU 436 Cb 0.86 -0.05 -0.02 0.00 -0.11 0.00 0.00 43.42 44.09 2ja2 n LEU 436 CO 0.47 0.59 -0.42 -0.38 -1.51 0.00 0.00 177.39 176.13 2ja2 n ILE 437 N -3.02 1.11 -0.22 -0.08 2.08 -0.73 -1.81 119.36 116.69 2ja2 n ILE 437 Ca -0.30 0.25 -0.07 0.00 0.56 0.00 0.00 62.75 63.19 2ja2 n ILE 437 Cb 1.08 -2.15 0.03 0.00 -0.75 0.00 0.00 39.64 37.85 2ja2 n ILE 437 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2ja2 h GLU 438 N -0.75 0.87 0.00 0.38 4.81 -1.20 -2.12 114.58 116.57 2ja2 h GLU 438 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2ja2 h GLU 438 Cb 0.62 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2ja2 h GLU 438 CO 0.00 0.70 0.00 0.41 -0.73 0.00 0.00 179.01 179.39 2ja2 n GLY 439 N -0.95 0.87 0.00 1.92 0.00 -0.53 -4.32 105.19 102.19 2ja2 n GLY 439 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2ja2 n GLY 439 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ja2 n LEU 440 N -0.49 0.00 -1.81 0.99 4.77 -0.83 -4.86 117.00 114.76 2ja2 n LEU 440 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2ja2 n LEU 440 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2ja2 n LEU 440 CO 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 175.90 2ja2 n ALA 441 N -0.97 -0.42 -1.76 -1.18 0.00 -0.80 -4.93 120.51 110.45 2ja2 n ALA 441 Ca 0.15 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 2ja2 n ALA 441 Cb 0.07 -1.62 0.03 0.00 0.00 0.00 0.00 19.45 17.93 2ja2 n ALA 441 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ja2 s LEU 442 N -4.66 3.88 0.38 0.00 1.43 -0.75 -4.99 118.68 113.96 2ja2 s LEU 442 Ca 0.00 2.59 -0.27 0.00 -1.03 0.00 0.00 54.13 55.43 2ja2 s LEU 442 Cb 0.00 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 2ja2 s LEU 442 CO 0.00 -1.39 1.25 -0.54 0.23 0.00 0.00 176.35 175.90 2ja2 s LYS 443 N -2.89 4.13 0.22 1.70 1.02 -1.26 -4.68 119.74 117.99 2ja2 s LYS 443 Ca 0.70 2.04 -0.07 0.00 0.02 0.00 0.00 55.97 58.66 2ja2 s LYS 443 Cb -0.36 -2.84 0.32 0.00 -0.52 0.00 0.00 37.83 34.43 2ja2 s LYS 443 CO 0.42 -0.32 1.78 -1.00 -0.92 0.00 0.00 175.35 175.32 2ja2 h PRO 444 N 2.91 0.58 -0.65 -1.68 0.13 -1.96 0.17 132.00 131.50 2ja2 h PRO 444 Ca -0.49 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2ja2 h PRO 444 Cb 1.24 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2ja2 h PRO 444 CO 0.63 0.39 0.43 0.07 -0.23 0.00 0.00 178.00 179.29 2ja2 h ARG 445 N 0.60 0.75 -0.00 0.86 -0.00 -1.98 0.93 114.38 115.53 2ja2 h ARG 445 Ca 0.34 -0.05 -0.21 0.00 -0.00 0.00 0.00 59.98 60.06 2ja2 h ARG 445 Cb 0.34 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.14 2ja2 h ARG 445 CO -0.26 0.50 -0.91 0.87 -0.00 0.00 0.00 179.97 180.17 2ja2 h LYS 446 N 0.77 0.35 -0.09 0.08 1.79 -1.53 -2.43 116.57 115.52 2ja2 h LYS 446 Ca 0.26 -0.37 -0.23 0.00 -2.18 0.00 0.00 60.65 58.13 2ja2 h LYS 446 Cb 0.08 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2ja2 h LYS 446 CO -0.07 1.05 -0.86 0.00 -1.08 0.00 0.00 179.45 178.49 2ja2 h ALA 447 N 0.82 0.22 0.00 3.86 0.00 0.11 -3.40 119.26 120.88 2ja2 h ALA 447 Ca -0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 54.00 2ja2 h ALA 447 Cb 1.54 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2ja2 h ALA 447 CO 0.15 0.66 -2.21 1.19 0.00 0.00 0.00 179.25 179.03 2ja2 n PHE 448 N -3.93 0.01 -0.37 0.00 3.72 0.24 -4.44 117.46 112.68 2ja2 n PHE 448 Ca -0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.32 2ja2 n PHE 448 Cb 0.79 -0.78 0.15 0.00 -0.94 0.00 0.00 39.48 38.70 2ja2 n PHE 448 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2ja2 h SER 449 N 0.00 1.09 -0.07 4.37 0.02 -1.62 0.05 113.55 117.38 2ja2 h SER 449 Ca -0.31 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 2ja2 h SER 449 Cb 1.70 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 2ja2 h SER 449 CO 0.02 0.74 -0.17 -0.65 -1.14 0.00 0.00 176.83 175.62 2ja2 h PRO 450 N 1.26 0.44 -0.03 3.45 0.11 -1.79 -1.01 132.00 134.43 2ja2 h PRO 450 Ca 0.40 -0.14 -0.23 0.00 0.11 0.00 0.00 66.00 66.15 2ja2 h PRO 450 Cb 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2ja2 h PRO 450 CO -0.13 0.60 -0.91 0.82 -0.21 0.00 0.00 178.00 178.17 2ja2 h ILE 451 N 0.40 1.37 -0.35 4.15 2.04 -1.58 -0.54 117.51 123.00 2ja2 h ILE 451 Ca 0.07 -2.33 -0.04 0.00 1.00 0.00 0.00 64.86 63.56 2ja2 h ILE 451 Cb 0.54 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2ja2 h ILE 451 CO 0.04 0.70 0.05 -0.09 0.00 0.00 0.00 178.15 178.85 2ja2 h ARG 452 N 0.29 0.59 -0.51 2.37 2.43 -0.80 -0.98 114.38 117.77 2ja2 h ARG 452 Ca -0.08 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 2ja2 h ARG 452 Cb 1.54 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 2ja2 h ARG 452 CO 0.16 0.66 0.15 0.28 -1.51 0.00 0.00 179.97 179.72 2ja2 h VAL 453 N 0.42 1.23 -0.21 0.20 2.07 -1.08 -0.18 116.25 118.71 2ja2 h VAL 453 Ca 0.11 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2ja2 h VAL 453 Cb 0.36 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2ja2 h VAL 453 CO 0.01 0.29 0.10 0.00 0.02 0.00 0.00 177.57 177.99 2ja2 h ALA 454 N 1.01 0.27 0.03 1.67 0.00 -1.01 0.10 119.26 121.33 2ja2 h ALA 454 Ca 0.16 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2ja2 h ALA 454 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2ja2 h ALA 454 CO -0.00 -0.18 -1.20 0.00 0.00 0.00 0.00 179.25 177.87 2ja2 h ALA 455 N 0.97 0.36 0.00 0.00 0.00 -1.11 -3.39 119.26 116.09 2ja2 h ALA 455 Ca 0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 54.91 53.93 2ja2 h ALA 455 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ja2 h ALA 455 CO -0.01 1.24 -1.41 0.25 0.00 0.00 0.00 179.25 179.31 2ja2 n THR 456 N -3.35 0.19 -0.01 0.00 -2.24 -0.09 -4.98 114.28 103.81 2ja2 n THR 456 Ca -0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2ja2 n THR 456 Cb 0.98 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2ja2 n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ja2 n GLY 457 N 2.25 0.29 3.20 3.38 0.00 0.36 -4.76 105.19 109.91 2ja2 n GLY 457 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2ja2 n GLY 457 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ja2 s THR 458 N -2.10 0.11 -0.55 2.61 -4.23 -1.25 -0.97 115.64 109.27 2ja2 s THR 458 Ca 0.00 -1.66 0.24 0.00 -1.18 0.00 0.00 61.69 59.09 2ja2 s THR 458 Cb 0.00 -1.83 0.29 0.00 1.34 0.00 0.00 72.50 72.30 2ja2 s THR 458 CO 0.00 -0.51 1.63 0.00 -0.54 0.00 0.00 174.62 175.20 2ja2 h THR 459 N 2.80 0.00 -3.78 3.99 1.03 -1.92 -3.23 112.91 111.80 2ja2 h THR 459 Ca -0.34 -0.78 -0.68 0.00 -0.01 0.00 0.00 66.41 64.60 2ja2 h THR 459 Cb 1.20 1.74 -0.30 0.00 -1.07 0.00 0.00 68.15 69.72 2ja2 h THR 459 CO 0.57 0.00 -0.85 -0.69 -0.01 0.00 0.00 175.52 174.54 2ja2 s VAL 460 N -3.17 2.38 0.35 0.00 1.01 -1.26 -4.96 120.40 114.75 2ja2 s VAL 460 Ca 0.08 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2ja2 s VAL 460 Cb 0.08 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2ja2 s VAL 460 CO 0.65 0.56 0.72 -0.94 0.00 0.00 0.00 175.10 176.10 2ja2 s SER 461 N -0.06 0.06 1.06 3.32 1.04 -1.26 -5.03 113.70 112.83 2ja2 s SER 461 Ca -0.05 -1.08 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 2ja2 s SER 461 Cb -0.14 0.79 0.22 0.00 0.10 0.00 0.00 66.02 66.99 2ja2 s SER 461 CO 0.04 -1.56 1.10 -2.84 0.98 0.00 0.00 173.24 170.97 2ja2 s PRO 462 N -2.78 -0.08 -0.43 4.02 0.02 -1.26 -4.82 135.00 129.66 2ja2 s PRO 462 Ca 0.17 0.34 -0.45 0.00 0.02 0.00 0.00 61.00 61.08 2ja2 s PRO 462 Cb -0.04 -1.69 -0.18 0.00 0.02 0.00 0.00 34.50 32.60 2ja2 s PRO 462 CO 0.12 -3.04 1.70 -2.30 -0.33 0.00 0.00 177.00 173.14 2ja2 n PRO 463 N -4.36 0.37 -0.06 5.54 -0.02 -1.26 -4.79 135.00 130.43 2ja2 n PRO 463 Ca 0.07 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 2ja2 n PRO 463 Cb 0.58 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2ja2 n PRO 463 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ja2 h LEU 464 N 6.11 -0.40 -0.60 2.45 5.85 -1.99 -0.19 115.31 126.54 2ja2 h LEU 464 Ca -0.42 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 2ja2 h LEU 464 Cb 1.36 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2ja2 h LEU 464 CO 0.98 -0.15 0.22 -0.26 -0.34 0.00 0.00 178.44 178.89 2ja2 h PHE 465 N -0.09 0.94 -0.07 1.25 0.04 -1.91 0.12 116.94 117.22 2ja2 h PHE 465 Ca 0.13 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.83 2ja2 h PHE 465 Cb 0.29 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2ja2 h PHE 465 CO -0.30 0.76 0.00 0.93 -0.60 0.00 0.00 178.31 179.10 2ja2 h GLU 466 N 0.84 0.03 -0.35 1.51 4.39 -1.84 -1.04 114.58 118.13 2ja2 h GLU 466 Ca 0.20 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.95 2ja2 h GLU 466 Cb 0.24 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 2ja2 h GLU 466 CO -0.01 0.02 0.07 0.77 -1.16 0.00 0.00 179.01 178.69 2ja2 h SER 467 N 0.03 0.01 -0.78 1.42 0.02 -0.80 -0.86 113.55 112.58 2ja2 h SER 467 Ca 0.03 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2ja2 h SER 467 Cb 0.03 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2ja2 h SER 467 CO -0.05 0.04 0.47 -0.07 -1.14 0.00 0.00 176.83 176.08 2ja2 h LEU 468 N 0.19 0.71 -0.08 5.07 3.38 -0.70 -0.33 115.31 123.55 2ja2 h LEU 468 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ja2 h LEU 468 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2ja2 h LEU 468 CO -0.22 0.45 0.04 -0.08 0.09 0.00 0.00 178.44 178.72 2ja2 h GLU 469 N 0.84 0.08 0.00 1.13 4.81 -0.69 -2.49 114.58 118.25 2ja2 h GLU 469 Ca 0.35 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2ja2 h GLU 469 Cb 0.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2ja2 h GLU 469 CO -0.19 0.05 -0.40 -0.07 -0.73 0.00 0.00 179.01 177.68 2ja2 h LEU 470 N 0.08 0.00 -1.27 1.64 3.38 -0.86 -2.34 115.31 115.94 2ja2 h LEU 470 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2ja2 h LEU 470 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2ja2 h LEU 470 CO -0.02 0.40 -0.23 -0.07 0.09 0.00 0.00 178.44 178.61 2ja2 h LEU 471 N 0.00 0.20 0.00 1.67 3.38 -0.77 -3.49 115.31 116.30 2ja2 h LEU 471 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ja2 h LEU 471 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2ja2 h LEU 471 CO 0.05 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.64 2ja2 n GLY 472 N -0.65 0.29 0.27 0.83 0.00 -0.88 -4.38 105.19 100.66 2ja2 n GLY 472 Ca -0.01 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 2ja2 n GLY 472 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ja2 h ARG 473 N 0.00 -0.55 -0.10 1.61 2.43 -1.85 -1.64 114.38 114.28 2ja2 h ARG 473 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2ja2 h ARG 473 Cb 0.00 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2ja2 h ARG 473 CO 0.00 -0.37 -0.04 -0.44 -1.51 0.00 0.00 179.97 177.62 2ja2 h ASP 474 N -0.57 -0.12 -0.57 -3.80 3.32 -1.98 0.75 116.42 113.44 2ja2 h ASP 474 Ca -0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ja2 h ASP 474 Cb 0.47 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2ja2 h ASP 474 CO 0.03 -0.05 0.32 -0.09 -1.72 0.00 0.00 179.24 177.74 2ja2 h ARG 475 N -0.02 0.79 0.09 3.56 2.43 -1.76 -1.61 114.38 117.87 2ja2 h ARG 475 Ca 0.05 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2ja2 h ARG 475 Cb 0.10 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2ja2 h ARG 475 CO -0.12 0.60 -0.05 0.77 -1.51 0.00 0.00 179.97 179.67 2ja2 h SER 476 N 0.77 -0.11 -0.52 -3.80 0.02 -0.85 -1.35 113.55 107.72 2ja2 h SER 476 Ca 0.20 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2ja2 h SER 476 Cb 0.03 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 2ja2 h SER 476 CO -0.03 0.05 0.20 0.24 -1.14 0.00 0.00 176.83 176.15 2ja2 h MET 477 N -0.26 0.38 -0.27 3.45 2.86 -0.79 -1.86 114.93 118.43 2ja2 h MET 477 Ca -0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2ja2 h MET 477 Cb 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2ja2 h MET 477 CO 0.02 0.25 0.13 1.96 1.06 0.00 0.00 176.91 180.33 2ja2 h GLN 478 N 0.39 0.26 -0.48 1.72 4.20 -1.15 -1.70 115.11 118.35 2ja2 h GLN 478 Ca 0.25 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2ja2 h GLN 478 Cb 0.26 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2ja2 h GLN 478 CO -0.24 0.17 0.14 0.00 -0.67 0.00 0.00 178.83 178.24 2ja2 h ARG 479 N 0.27 0.76 -0.78 1.46 3.08 -1.04 -1.51 114.38 116.62 2ja2 h ARG 479 Ca 0.11 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2ja2 h ARG 479 Cb 0.05 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2ja2 h ARG 479 CO -0.09 0.72 0.52 -0.07 -1.07 0.00 0.00 179.97 179.98 2ja2 h LEU 480 N 0.65 0.89 -0.35 3.04 4.07 -1.20 -0.72 115.31 121.69 2ja2 h LEU 480 Ca 0.16 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 2ja2 h LEU 480 Cb 0.28 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2ja2 h LEU 480 CO -0.00 0.64 0.03 0.03 -1.08 0.00 0.00 178.44 178.06 2ja2 h ARG 481 N 1.05 0.61 -0.03 1.13 3.08 -1.21 -2.99 114.38 116.02 2ja2 h ARG 481 Ca 0.29 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 2ja2 h ARG 481 Cb -0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2ja2 h ARG 481 CO -0.07 0.70 -0.37 0.00 -1.07 0.00 0.00 179.97 179.17 2ja2 h ALA 482 N 0.88 1.33 -0.22 0.04 0.00 -0.96 -3.17 119.26 117.15 2ja2 h ALA 482 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2ja2 h ALA 482 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ja2 h ALA 482 CO 0.01 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 2ja2 h ALA 483 N 1.58 1.42 0.00 0.00 0.00 -0.98 -2.41 119.26 118.86 2ja2 h ALA 483 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ja2 h ALA 483 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ja2 h ALA 483 CO 0.05 0.40 0.00 0.07 0.00 0.00 0.00 179.25 179.77 2ja2 h ARG 484 N 0.34 0.00 -0.01 0.00 0.11 -1.54 -3.49 114.38 109.79 2ja2 h ARG 484 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2ja2 h ARG 484 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2ja2 h ARG 484 CO 0.02 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.13