#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2s s GLU 2 N 0.00 3.87 1.03 -1.24 0.41 -1.26 -5.11 118.70 116.40 3k2s s GLU 2 Ca 0.00 -0.38 -0.22 0.00 -0.41 0.00 0.00 54.97 53.96 3k2s s GLU 2 Cb 0.00 -3.37 -0.08 0.00 -1.78 0.00 0.00 34.13 28.90 3k2s s GLU 2 CO 0.00 0.00 -0.81 -2.30 -0.49 0.00 0.00 175.26 171.66 3k2s n PRO 3 N 4.39 -0.51 -0.43 0.39 -0.02 -1.26 -4.91 135.00 132.65 3k2s n PRO 3 Ca -0.16 -0.14 0.36 0.00 -2.02 0.00 0.00 63.50 61.54 3k2s n PRO 3 Cb 0.52 -1.28 0.67 0.00 -0.02 0.00 0.00 33.50 33.39 3k2s n PRO 3 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3k2s h PRO 4 N -1.37 0.12 0.00 0.52 0.11 -1.99 -3.41 132.00 125.98 3k2s h PRO 4 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3k2s h PRO 4 Cb 1.36 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3k2s h PRO 4 CO 0.28 0.08 0.00 0.94 -0.21 0.00 0.00 178.00 179.08 3k2s n GLN 5 N -4.45 0.00 -0.26 1.05 7.27 -1.26 -5.00 117.38 114.73 3k2s n GLN 5 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.39 3k2s n GLN 5 Cb 1.36 0.00 0.05 0.00 2.41 0.00 0.00 30.24 34.06 3k2s n GLN 5 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3k2s h SER 6 N 0.00 -1.00 -0.26 1.69 0.02 -2.00 -2.52 113.55 109.48 3k2s h SER 6 Ca 0.00 0.24 -0.30 0.00 -0.84 0.00 0.00 61.79 60.89 3k2s h SER 6 Cb 0.00 0.56 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 3k2s h SER 6 CO 0.00 -0.28 0.14 -0.81 -1.14 0.00 0.00 176.83 174.74 3k2s n PRO 7 N -5.48 2.26 0.00 3.45 -0.04 -1.26 -4.60 135.00 129.33 3k2s n PRO 7 Ca 0.08 -1.43 0.09 0.00 -0.04 0.00 0.00 63.50 62.20 3k2s n PRO 7 Cb 0.38 -2.10 0.40 0.00 -0.04 0.00 0.00 33.50 32.14 3k2s n PRO 7 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3k2s n TRP 8 N 2.21 0.00 0.00 0.54 -0.00 -0.95 -4.52 117.44 114.72 3k2s n TRP 8 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 3k2s n TRP 8 Cb 0.78 -0.44 0.00 0.00 -0.00 0.00 0.00 31.31 31.65 3k2s n TRP 8 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 3k2s n ASP 9 N -1.44 0.00 -0.47 5.87 -0.08 -1.26 -2.90 116.55 116.27 3k2s n ASP 9 Ca 0.05 0.25 0.06 0.00 -1.51 0.00 0.00 54.79 53.64 3k2s n ASP 9 Cb 0.19 -0.10 0.11 0.00 2.34 0.00 0.00 41.12 43.66 3k2s n ASP 9 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3k2s n ARG 10 N -1.74 0.91 -3.54 -0.67 1.85 -1.26 -4.76 116.66 107.45 3k2s n ARG 10 Ca 0.00 -2.32 -0.36 0.00 -1.00 0.00 0.00 57.85 54.17 3k2s n ARG 10 Cb 0.00 -1.12 -0.06 0.00 -1.05 0.00 0.00 32.46 30.24 3k2s n ARG 10 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3k2s n VAL 11 N -0.80 3.25 -3.70 8.89 0.31 -1.14 -3.72 118.33 121.42 3k2s n VAL 11 Ca 0.12 -5.23 -0.11 0.00 -0.01 0.00 0.00 64.34 59.11 3k2s n VAL 11 Cb 0.73 -2.32 -0.11 0.00 -0.91 0.00 0.00 33.84 31.23 3k2s n VAL 11 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3k2s s LYS 12 N -1.67 0.42 -0.21 5.55 -0.14 -1.23 -4.49 119.74 117.96 3k2s s LYS 12 Ca 0.30 0.79 -0.19 0.00 -1.36 0.00 0.00 55.97 55.50 3k2s s LYS 12 Cb -0.03 0.01 -0.18 0.00 -1.68 0.00 0.00 37.83 35.94 3k2s s LYS 12 CO -0.09 -0.15 0.13 -0.40 -0.76 0.00 0.00 175.35 174.08 3k2s n ASP 13 N 4.12 1.89 -1.14 2.83 3.85 -1.24 -4.06 116.55 122.81 3k2s n ASP 13 Ca -0.22 0.39 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 3k2s n ASP 13 Cb 0.56 -0.93 0.00 0.00 -1.35 0.00 0.00 41.12 39.39 3k2s n ASP 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k2s n LEU 14 N -4.33 1.62 -0.06 -2.12 -0.00 -1.26 -3.22 117.00 107.63 3k2s n LEU 14 Ca -0.36 -0.79 -0.04 0.00 -0.00 0.00 0.00 56.01 54.83 3k2s n LEU 14 Cb 0.74 -0.29 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 3k2s n LEU 14 CO 0.18 0.28 -0.01 0.00 -0.00 0.00 0.00 177.39 177.84 3k2s h ALA 15 N 2.10 0.01 0.00 1.47 0.00 -1.95 -3.41 119.26 117.48 3k2s h ALA 15 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k2s h ALA 15 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k2s h ALA 15 CO 0.00 0.11 0.02 0.25 0.00 0.00 0.00 179.25 179.63 3k2s n THR 16 N -4.71 1.07 0.40 0.00 -2.24 -1.20 -0.10 114.28 107.50 3k2s n THR 16 Ca -0.04 0.29 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 3k2s n THR 16 Cb 0.15 -1.29 0.16 0.00 -2.10 0.00 0.00 70.33 67.25 3k2s n THR 16 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3k2s h VAL 17 N 0.00 0.00 0.00 2.28 2.07 -1.82 -3.30 116.25 115.48 3k2s h VAL 17 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3k2s h VAL 17 Cb 0.05 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3k2s h VAL 17 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3k2s n TYR 18 N -2.44 0.64 0.01 1.57 -0.00 0.85 -2.26 117.16 115.53 3k2s n TYR 18 Ca 0.03 0.24 -0.14 0.00 -0.00 0.00 0.00 57.90 58.03 3k2s n TYR 18 Cb 0.48 -0.89 -0.14 0.00 -0.00 0.00 0.00 39.34 38.79 3k2s n TYR 18 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.86 176.47 3k2s h VAL 19 N 0.00 0.90 -0.12 -3.48 -1.51 -1.74 -3.36 116.25 106.95 3k2s h VAL 19 Ca 0.00 -2.66 0.03 0.00 -1.23 0.00 0.00 66.70 62.84 3k2s h VAL 19 Cb 0.39 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 32.10 3k2s h VAL 19 CO 0.00 0.71 0.09 -0.78 -1.23 0.00 0.00 177.57 176.36 3k2s h ASP 20 N 0.04 0.00 -0.05 4.19 -0.00 -1.54 -0.05 116.42 119.01 3k2s h ASP 20 Ca -0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 56.74 3k2s h ASP 20 Cb 2.01 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 41.33 3k2s h ASP 20 CO 0.11 0.00 -0.05 0.58 -0.00 0.00 0.00 179.24 179.88 3k2s h VAL 21 N 0.00 0.00 -0.05 2.25 2.07 -1.60 -2.21 116.25 116.71 3k2s h VAL 21 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3k2s h VAL 21 Cb 0.24 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3k2s h VAL 21 CO -0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 3k2s h LEU 22 N -0.02 0.09 0.06 2.57 6.46 -1.55 -3.26 115.31 119.66 3k2s h LEU 22 Ca 0.01 -0.36 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 3k2s h LEU 22 Cb 0.05 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 3k2s h LEU 22 CO -0.06 0.43 -0.50 0.50 -0.62 0.00 0.00 178.44 178.19 3k2s h LYS 23 N -0.25 -0.66 -0.04 1.25 3.64 -1.13 -3.11 116.57 116.26 3k2s h LYS 23 Ca 0.01 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3k2s h LYS 23 Cb 0.39 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3k2s h LYS 23 CO 0.00 -0.44 0.00 -0.25 -2.27 0.00 0.00 179.45 176.49 3k2s n ASP 24 N -5.47 0.45 -0.05 4.20 9.92 -0.83 -1.27 116.55 123.50 3k2s n ASP 24 Ca -0.07 -1.50 -0.03 0.00 -0.53 0.00 0.00 54.79 52.66 3k2s n ASP 24 Cb 0.40 -0.03 0.21 0.00 -0.64 0.00 0.00 41.12 41.06 3k2s n ASP 24 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 3k2s h SER 25 N 0.61 0.61 0.50 -2.24 0.87 -1.58 -3.24 113.55 109.08 3k2s h SER 25 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3k2s h SER 25 Cb 0.13 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3k2s h SER 25 CO 0.00 0.72 -0.42 0.61 -0.53 0.00 0.00 176.83 177.22 3k2s n GLY 26 N -0.65 -1.18 0.15 5.77 0.00 -0.40 -0.54 105.19 108.34 3k2s n GLY 26 Ca 0.01 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3k2s n GLY 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k2s h ARG 27 N 0.17 0.00 0.00 1.61 1.12 -1.55 -3.40 114.38 112.33 3k2s h ARG 27 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3k2s h ARG 27 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 3k2s h ARG 27 CO 0.00 0.00 -0.63 -3.47 -3.11 0.00 0.00 179.97 172.76 3k2s n ASP 28 N -2.49 2.90 0.29 -3.80 4.64 -1.07 -4.73 116.55 112.29 3k2s n ASP 28 Ca 0.04 0.00 0.16 0.00 -1.38 0.00 0.00 54.79 53.61 3k2s n ASP 28 Cb 0.37 0.19 0.88 0.00 -1.04 0.00 0.00 41.12 41.52 3k2s n ASP 28 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 3k2s h TYR 29 N 0.00 0.00 -0.94 -0.67 -0.00 -1.05 -0.99 116.97 113.31 3k2s h TYR 29 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.73 58.91 3k2s h TYR 29 Cb 0.63 0.00 -0.08 0.00 -0.00 0.00 0.00 36.73 37.28 3k2s h TYR 29 CO 0.00 0.05 0.60 -0.24 -0.00 0.00 0.00 178.16 178.57 3k2s h VAL 30 N 0.00 0.73 -0.00 -0.90 3.04 -1.82 -1.11 116.25 116.19 3k2s h VAL 30 Ca -0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3k2s h VAL 30 Cb 0.19 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 3k2s h VAL 30 CO 0.01 0.11 -0.21 -1.20 -1.01 0.00 0.00 177.57 175.27 3k2s n SER 31 N -4.60 0.27 -0.53 3.17 7.64 -0.38 -4.40 113.62 114.79 3k2s n SER 31 Ca 0.20 0.03 0.04 0.00 1.01 0.00 0.00 58.87 60.15 3k2s n SER 31 Cb 0.60 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.73 3k2s n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k2s n GLN 32 N -1.40 0.55 0.00 1.43 1.13 -0.52 -4.33 117.38 114.24 3k2s n GLN 32 Ca 0.08 -1.87 0.11 0.00 -1.94 0.00 0.00 57.00 53.38 3k2s n GLN 32 Cb 0.33 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.85 3k2s n GLN 32 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 3k2s n PHE 33 N -0.48 0.00 -0.06 1.08 -1.74 -0.60 -4.64 117.46 111.03 3k2s n PHE 33 Ca 0.08 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.89 3k2s n PHE 33 Cb 0.75 0.00 0.09 0.00 1.52 0.00 0.00 39.48 41.84 3k2s n PHE 33 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 3k2s h GLU 34 N 2.81 0.70 -0.00 3.97 5.08 -1.84 -3.35 114.58 121.95 3k2s h GLU 34 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3k2s h GLU 34 Cb 0.78 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3k2s h GLU 34 CO 0.00 0.92 -0.65 0.41 -1.00 0.00 0.00 179.01 178.69 3k2s n GLY 35 N -0.13 -0.31 0.10 -3.84 0.00 -1.26 -3.85 105.19 95.90 3k2s n GLY 35 Ca -0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 3k2s n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3k2s h SER 36 N 0.07 0.30 -0.62 1.61 0.87 -1.85 -3.36 113.55 110.57 3k2s h SER 36 Ca 0.00 -0.91 0.15 0.00 -1.23 0.00 0.00 61.79 59.80 3k2s h SER 36 Cb 0.34 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3k2s h SER 36 CO 0.00 1.18 0.43 0.00 -0.53 0.00 0.00 176.83 177.91 3k2s h ALA 37 N 0.12 2.34 0.00 6.23 0.00 -1.73 -2.85 119.26 123.37 3k2s h ALA 37 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k2s h ALA 37 Cb 1.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k2s h ALA 37 CO 0.09 -0.51 -0.01 1.25 0.00 0.00 0.00 179.25 180.07 3k2s h LEU 38 N 0.18 0.00 -2.22 0.00 6.46 -1.70 -3.18 115.31 114.85 3k2s h LEU 38 Ca 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3k2s h LEU 38 Cb 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 3k2s h LEU 38 CO -0.05 0.01 0.00 0.61 -0.62 0.00 0.00 178.44 178.39 3k2s n GLY 39 N -1.30 1.33 3.55 3.75 0.00 -1.07 -5.02 105.19 106.44 3k2s n GLY 39 Ca -0.03 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3k2s n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2s s LYS 40 N -0.94 2.80 0.34 1.61 -0.14 -1.20 -4.91 119.74 117.30 3k2s s LYS 40 Ca 0.17 0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 55.15 3k2s s LYS 40 Cb 0.10 -4.33 0.03 0.00 -1.68 0.00 0.00 37.83 31.95 3k2s s LYS 40 CO 0.14 -2.54 0.63 -0.65 -0.76 0.00 0.00 175.35 172.17 3k2s s GLN 41 N 6.65 2.00 0.30 1.68 -0.21 -1.26 -5.14 119.66 123.67 3k2s s GLN 41 Ca 0.61 -1.49 -0.19 0.00 0.02 0.00 0.00 55.36 54.31 3k2s s GLN 41 Cb -0.12 0.54 0.06 0.00 1.00 0.00 0.00 33.01 34.49 3k2s s GLN 41 CO 0.20 -0.89 0.88 -0.51 -2.12 0.00 0.00 175.29 172.86 3k2s s LEU 42 N -3.11 -0.02 -0.01 2.90 1.43 -1.26 -5.02 118.68 113.59 3k2s s LEU 42 Ca 0.21 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3k2s s LEU 42 Cb -0.03 2.54 0.07 0.00 0.03 0.00 0.00 46.19 48.80 3k2s s LEU 42 CO 0.14 -1.38 1.06 0.59 0.23 0.00 0.00 176.35 176.98 3k2s n ASN 43 N -1.23 2.21 0.00 2.29 4.13 -1.26 -5.04 115.26 116.36 3k2s n ASN 43 Ca -0.06 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.14 3k2s n ASN 43 Cb 0.60 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 3k2s n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k2s n LEU 44 N -0.35 0.00 0.00 3.41 -0.00 -1.26 -5.07 117.00 113.73 3k2s n LEU 44 Ca 0.03 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 3k2s n LEU 44 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 3k2s n LEU 44 CO 0.02 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.70 3k2s n LYS 45 N -0.33 0.00 -0.43 1.47 4.01 -1.26 -4.90 118.16 116.72 3k2s n LYS 45 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 3k2s n LYS 45 Cb 0.00 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 34.78 3k2s n LYS 45 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3k2s n LEU 46 N -0.40 3.84 -0.05 -0.35 7.99 -1.26 -4.68 117.00 122.10 3k2s n LEU 46 Ca 0.00 -2.96 -0.09 0.00 -0.01 0.00 0.00 56.01 52.95 3k2s n LEU 46 Cb 0.00 -0.53 -0.04 0.00 -0.11 0.00 0.00 43.42 42.75 3k2s n LEU 46 CO 0.00 0.68 -0.81 0.18 -1.51 0.00 0.00 177.39 175.93 3k2s n LEU 47 N -0.45 1.48 0.08 2.23 4.77 -1.26 -4.77 117.00 119.09 3k2s n LEU 47 Ca 0.21 0.06 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 3k2s n LEU 47 Cb 0.87 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 42.05 3k2s n LEU 47 CO 0.15 0.35 0.91 0.44 -1.33 0.00 0.00 177.39 177.92 3k2s h ASP 48 N -0.21 0.30 -0.69 -1.43 3.32 -1.90 -2.77 116.42 113.03 3k2s h ASP 48 Ca -0.22 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.82 3k2s h ASP 48 Cb 1.24 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3k2s h ASP 48 CO -0.10 0.42 0.46 -0.55 -1.72 0.00 0.00 179.24 177.75 3k2s h ASN 49 N 0.31 0.66 0.55 6.45 -1.07 -1.86 -3.13 115.58 117.48 3k2s h ASN 49 Ca 0.07 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 3k2s h ASN 49 Cb 0.34 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 3k2s h ASN 49 CO 0.02 0.44 0.00 0.79 0.07 0.00 0.00 177.43 178.75 3k2s n TRP 50 N -4.47 0.00 0.02 4.14 5.03 -1.04 -0.65 117.44 120.47 3k2s n TRP 50 Ca 0.09 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.58 3k2s n TRP 50 Cb 0.19 -0.32 -0.03 0.00 -1.03 0.00 0.00 31.31 30.11 3k2s n TRP 50 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 3k2s h ASP 51 N 0.00 -0.14 -0.07 -0.99 1.82 -1.69 -3.18 116.42 112.18 3k2s h ASP 51 Ca 0.00 -0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.52 3k2s h ASP 51 Cb 0.27 0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.26 3k2s h ASP 51 CO 0.00 0.41 -0.48 0.77 -1.61 0.00 0.00 179.24 178.33 3k2s h SER 52 N -1.02 -1.49 -0.86 2.28 4.64 -1.60 -2.33 113.55 113.17 3k2s h SER 52 Ca -0.02 0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3k2s h SER 52 Cb 0.28 0.58 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 3k2s h SER 52 CO 0.03 -0.48 0.57 0.58 -0.87 0.00 0.00 176.83 176.66 3k2s h VAL 53 N -0.58 1.20 -0.24 0.95 2.07 -1.09 0.37 116.25 118.93 3k2s h VAL 53 Ca 0.04 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3k2s h VAL 53 Cb 0.68 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3k2s h VAL 53 CO -0.38 0.21 0.03 0.74 0.02 0.00 0.00 177.57 178.19 3k2s h THR 54 N 1.15 1.23 -0.58 2.57 2.02 -1.50 0.21 112.91 118.01 3k2s h THR 54 Ca 0.32 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3k2s h THR 54 Cb -0.10 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3k2s h THR 54 CO -0.08 0.25 0.29 0.77 0.37 0.00 0.00 175.52 177.13 3k2s h SER 55 N 0.20 0.74 0.58 4.18 4.64 -1.16 -1.89 113.55 120.85 3k2s h SER 55 Ca 0.07 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 3k2s h SER 55 Cb 0.35 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3k2s h SER 55 CO 0.01 0.65 -0.45 0.74 -0.87 0.00 0.00 176.83 176.91 3k2s h THR 56 N 0.78 1.20 0.02 2.95 2.02 -0.77 0.17 112.91 119.28 3k2s h THR 56 Ca 0.20 -1.60 -0.25 0.00 0.77 0.00 0.00 66.41 65.53 3k2s h THR 56 Cb 0.09 1.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3k2s h THR 56 CO -0.03 0.44 -1.02 0.15 0.37 0.00 0.00 175.52 175.44 3k2s h PHE 57 N 0.00 0.76 -0.74 3.16 3.57 -0.95 -3.11 116.94 119.64 3k2s h PHE 57 Ca -0.00 -0.43 0.10 0.00 3.53 0.00 0.00 57.97 61.17 3k2s h PHE 57 Cb 0.86 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 3k2s h PHE 57 CO 0.00 1.26 0.37 1.03 -2.23 0.00 0.00 178.31 178.74 3k2s h SER 58 N 0.27 0.48 0.00 0.41 0.87 -0.80 -2.63 113.55 112.16 3k2s h SER 58 Ca -0.11 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3k2s h SER 58 Cb 1.67 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 3k2s h SER 58 CO 0.18 0.26 0.00 0.29 -0.53 0.00 0.00 176.83 177.04 3k2s n LYS 59 N -4.86 0.64 -0.07 2.24 5.02 0.54 -1.89 118.16 119.78 3k2s n LYS 59 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 3k2s n LYS 59 Cb 0.30 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 3k2s n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k2s n LEU 60 N 0.60 1.28 -0.28 -0.35 4.77 -0.99 -4.83 117.00 117.20 3k2s n LEU 60 Ca 0.00 0.21 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 3k2s n LEU 60 Cb 0.29 -0.51 0.21 0.00 -2.33 0.00 0.00 43.42 41.08 3k2s n LEU 60 CO 0.00 0.11 1.06 0.08 -1.33 0.00 0.00 177.39 177.31 3k2s h ARG 61 N -0.59 0.52 0.17 3.23 0.11 -1.49 -1.45 114.38 114.87 3k2s h ARG 61 Ca -0.30 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 3k2s h ARG 61 Cb 1.14 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3k2s h ARG 61 CO -0.18 0.34 -0.08 1.05 0.10 0.00 0.00 179.97 181.20 3k2s h GLU 62 N 0.53 -0.22 -0.01 0.08 -0.00 -1.86 -2.22 114.58 110.89 3k2s h GLU 62 Ca 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.82 3k2s h GLU 62 Cb 0.65 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 3k2s h GLU 62 CO -0.38 0.05 -0.35 1.04 -0.00 0.00 0.00 179.01 179.36 3k2s n GLN 63 N -5.08 0.69 0.08 1.06 1.13 -1.24 -3.20 117.38 110.83 3k2s n GLN 63 Ca -0.09 -0.44 -0.13 0.00 -1.94 0.00 0.00 57.00 54.40 3k2s n GLN 63 Cb 0.20 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 3k2s n GLN 63 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k2s h LEU 64 N 1.07 -0.14 0.00 1.08 3.38 -1.28 -3.26 115.31 116.17 3k2s h LEU 64 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k2s h LEU 64 Cb 0.53 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3k2s h LEU 64 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3k2s n GLY 65 N -0.62 0.00 0.14 0.83 0.00 -0.84 -0.07 105.19 104.62 3k2s n GLY 65 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3k2s n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2s h PRO 66 N 0.00 0.26 -0.39 1.61 0.13 -1.74 -3.18 132.00 128.70 3k2s h PRO 66 Ca 0.00 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 3k2s h PRO 66 Cb 0.00 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 3k2s h PRO 66 CO 0.00 0.99 -0.14 0.28 -0.23 0.00 0.00 178.00 178.90 3k2s h VAL 67 N 0.15 1.26 -0.86 1.56 2.07 -1.43 -2.26 116.25 116.74 3k2s h VAL 67 Ca -0.05 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.35 3k2s h VAL 67 Cb 1.51 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 3k2s h VAL 67 CO 0.14 0.39 0.54 0.74 0.02 0.00 0.00 177.57 179.40 3k2s h THR 68 N 0.63 1.07 -0.08 2.57 2.02 -0.58 -1.98 112.91 116.56 3k2s h THR 68 Ca 0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3k2s h THR 68 Cb 0.59 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3k2s h THR 68 CO 0.04 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.11 3k2s n GLN 69 N -4.60 1.29 0.01 6.66 6.02 -0.88 -4.39 117.38 121.50 3k2s n GLN 69 Ca 0.12 -0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 56.76 3k2s n GLN 69 Cb 0.15 -1.25 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 3k2s n GLN 69 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3k2s n GLU 70 N -0.13 0.08 -0.83 -1.09 2.13 -0.76 -4.71 120.64 115.32 3k2s n GLU 70 Ca 0.03 0.03 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 3k2s n GLU 70 Cb 0.17 -0.51 -0.12 0.00 0.27 0.00 0.00 31.44 31.25 3k2s n GLU 70 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3k2s n PHE 71 N -3.34 0.00 0.00 4.31 -0.00 -1.12 -2.79 117.46 114.52 3k2s n PHE 71 Ca -0.02 -1.31 0.00 0.00 -0.00 0.00 0.00 57.45 56.12 3k2s n PHE 71 Cb 0.07 -1.26 0.00 0.00 -0.00 0.00 0.00 39.48 38.30 3k2s n PHE 71 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 3k2s n TRP 72 N 2.24 0.00 -0.28 -5.13 -0.00 -1.26 -4.79 117.44 108.22 3k2s n TRP 72 Ca 0.30 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.96 3k2s n TRP 72 Cb 0.77 0.14 0.32 0.00 -0.00 0.00 0.00 31.31 32.53 3k2s n TRP 72 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 3k2s n ASP 73 N -2.47 0.01 0.14 5.87 2.03 -1.16 -1.64 116.55 119.34 3k2s n ASP 73 Ca 0.00 1.41 0.05 0.00 0.52 0.00 0.00 54.79 56.77 3k2s n ASP 73 Cb 0.00 -0.56 0.50 0.00 -0.72 0.00 0.00 41.12 40.33 3k2s n ASP 73 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 3k2s h ASN 74 N 0.00 0.20 -0.00 1.67 -1.24 -1.84 -3.29 115.58 111.08 3k2s h ASN 74 Ca 0.57 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.56 3k2s h ASN 74 Cb 1.28 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3k2s h ASN 74 CO -0.75 0.22 -0.74 -0.11 -1.29 0.00 0.00 177.43 174.76 3k2s n LEU 75 N -4.43 1.13 -0.06 0.34 -0.00 -0.65 -4.01 117.00 109.31 3k2s n LEU 75 Ca -0.01 -0.57 -0.11 0.00 -0.00 0.00 0.00 56.01 55.33 3k2s n LEU 75 Cb 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.60 3k2s n LEU 75 CO 0.36 0.25 0.55 -0.08 -0.00 0.00 0.00 177.39 178.47 3k2s h GLU 76 N 0.57 0.75 0.00 1.96 4.22 -1.62 -1.14 114.58 119.33 3k2s h GLU 76 Ca 0.00 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.04 3k2s h GLU 76 Cb 0.49 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k2s h GLU 76 CO 0.00 1.03 0.00 0.36 -2.18 0.00 0.00 179.01 178.22 3k2s n LYS 77 N -4.03 0.20 -0.07 1.92 2.85 -1.26 0.21 118.16 117.98 3k2s n LYS 77 Ca -0.02 0.14 -0.07 0.00 -1.05 0.00 0.00 58.31 57.31 3k2s n LYS 77 Cb 0.54 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 3k2s n LYS 77 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3k2s h GLU 78 N 0.00 0.00 -0.22 -1.58 4.81 -1.61 -3.34 114.58 112.64 3k2s h GLU 78 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3k2s h GLU 78 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3k2s h GLU 78 CO 0.00 0.35 -0.04 0.00 -0.73 0.00 0.00 179.01 178.58 3k2s h THR 79 N -1.00 1.17 -0.15 0.32 1.03 -0.52 0.28 112.91 114.03 3k2s h THR 79 Ca -0.06 -0.68 -0.12 0.00 -0.01 0.00 0.00 66.41 65.54 3k2s h THR 79 Cb 0.54 1.05 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 3k2s h THR 79 CO -0.03 0.22 -0.44 -0.08 -0.01 0.00 0.00 175.52 175.18 3k2s h GLU 80 N 0.33 0.36 0.55 0.00 4.81 -0.50 0.20 114.58 120.33 3k2s h GLU 80 Ca 0.07 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3k2s h GLU 80 Cb 0.30 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.69 3k2s h GLU 80 CO 0.01 0.74 -0.26 0.78 -0.73 0.00 0.00 179.01 179.55 3k2s h GLY 81 N 1.20 -0.77 -0.85 1.92 0.00 -1.43 -3.10 103.07 100.04 3k2s h GLY 81 Ca 0.02 0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.75 3k2s h GLY 81 CO 0.07 -0.28 -0.39 -0.10 0.00 0.00 0.00 176.54 175.84 3k2s n LEU 82 N -4.60 -0.67 0.03 3.11 7.94 0.88 0.10 117.00 123.79 3k2s n LEU 82 Ca -0.09 1.49 0.09 0.00 -1.11 0.00 0.00 56.01 56.38 3k2s n LEU 82 Cb 0.29 -0.29 0.38 0.00 0.53 0.00 0.00 43.42 44.34 3k2s n LEU 82 CO 0.22 -1.29 0.78 -2.11 -1.11 0.00 0.00 177.39 173.88 3k2s n ARG 83 N -5.18 0.05 -0.11 1.96 1.85 0.71 -0.03 116.66 115.91 3k2s n ARG 83 Ca 0.06 0.27 -0.18 0.00 -1.00 0.00 0.00 57.85 57.00 3k2s n ARG 83 Cb 0.30 -1.59 -0.12 0.00 -1.05 0.00 0.00 32.46 29.99 3k2s n ARG 83 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3k2s n GLN 84 N -1.69 0.66 0.14 2.89 6.02 -0.65 -4.39 117.38 120.36 3k2s n GLN 84 Ca 0.04 0.16 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 3k2s n GLN 84 Cb 0.21 -1.54 0.50 0.00 1.02 0.00 0.00 30.24 30.42 3k2s n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3k2s n GLU 85 N -3.27 0.21 -0.24 -1.09 -0.58 0.11 -2.73 120.64 113.07 3k2s n GLU 85 Ca -0.44 0.42 0.02 0.00 -0.42 0.00 0.00 57.16 56.74 3k2s n GLU 85 Cb 1.00 -1.89 0.11 0.00 -0.57 0.00 0.00 31.44 30.09 3k2s n GLU 85 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3k2s h MET 86 N 0.00 0.05 0.00 3.49 2.86 -0.66 -0.42 114.93 120.25 3k2s h MET 86 Ca 0.00 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3k2s h MET 86 Cb 0.39 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3k2s h MET 86 CO 0.00 0.03 -0.40 0.77 1.06 0.00 0.00 176.91 178.37 3k2s h SER 87 N 0.05 0.00 0.01 1.22 0.02 -1.78 -3.06 113.55 110.01 3k2s h SER 87 Ca 0.36 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.18 3k2s h SER 87 Cb 0.58 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.13 3k2s h SER 87 CO -0.67 0.40 -0.49 0.11 -1.14 0.00 0.00 176.83 175.04 3k2s h LYS 88 N 0.00 0.32 -0.19 3.45 1.79 -1.44 -3.32 116.57 117.19 3k2s h LYS 88 Ca -0.00 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.06 3k2s h LYS 88 Cb 0.82 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3k2s h LYS 88 CO 0.05 1.05 -0.12 -0.44 -1.08 0.00 0.00 179.45 178.91 3k2s h ASP 89 N -0.26 0.29 0.24 0.86 5.19 -1.14 -1.25 116.42 120.35 3k2s h ASP 89 Ca -0.06 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 3k2s h ASP 89 Cb 1.23 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 3k2s h ASP 89 CO 0.10 0.44 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.47 3k2s h LEU 90 N 0.29 0.00 0.00 1.55 3.38 -1.65 -1.23 115.31 117.65 3k2s h LEU 90 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3k2s h LEU 90 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3k2s h LEU 90 CO 0.02 0.12 -1.67 -1.84 0.09 0.00 0.00 178.44 175.16 3k2s n GLU 91 N -3.89 0.64 -0.13 1.13 0.28 -1.06 -3.99 120.64 113.63 3k2s n GLU 91 Ca -0.02 0.14 -0.10 0.00 -0.16 0.00 0.00 57.16 57.02 3k2s n GLU 91 Cb 0.21 -1.73 -0.01 0.00 1.43 0.00 0.00 31.44 31.34 3k2s n GLU 91 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3k2s h GLU 92 N 0.00 0.59 -0.01 3.44 4.81 -0.78 -2.64 114.58 119.99 3k2s h GLU 92 Ca -0.22 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.72 3k2s h GLU 92 Cb 1.67 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.95 3k2s h GLU 92 CO 0.04 0.61 -0.72 -0.39 -0.73 0.00 0.00 179.01 177.82 3k2s h VAL 93 N 0.47 1.48 -0.67 0.32 -1.51 -1.45 -3.14 116.25 111.74 3k2s h VAL 93 Ca 0.12 -2.36 -0.00 0.00 -1.23 0.00 0.00 66.70 63.23 3k2s h VAL 93 Cb 0.26 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.66 3k2s h VAL 93 CO -0.00 0.68 0.40 0.50 -1.23 0.00 0.00 177.57 177.92 3k2s h LYS 94 N 0.06 0.90 0.00 5.19 3.11 -1.67 0.01 116.57 124.18 3k2s h LYS 94 Ca -0.01 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3k2s h LYS 94 Cb 1.27 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 3k2s h LYS 94 CO 0.10 0.64 0.00 0.00 -2.81 0.00 0.00 179.45 177.38 3k2s n ALA 95 N -2.31 1.55 -0.06 5.00 0.00 -1.00 -2.48 120.51 121.21 3k2s n ALA 95 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 3k2s n ALA 95 Cb 0.05 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 3k2s n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k2s n LYS 96 N -1.19 0.28 -0.25 0.00 4.01 -0.73 -4.74 118.16 115.55 3k2s n LYS 96 Ca 0.03 0.07 -0.11 0.00 -0.51 0.00 0.00 58.31 57.79 3k2s n LYS 96 Cb 0.04 -1.21 -0.09 0.00 -0.51 0.00 0.00 35.03 33.26 3k2s n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3k2s h VAL 97 N -0.03 0.00 -0.03 -0.18 2.07 -0.70 -3.18 116.25 114.20 3k2s h VAL 97 Ca -0.25 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 3k2s h VAL 97 Cb 1.38 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3k2s h VAL 97 CO -0.05 0.00 -0.74 -0.61 0.02 0.00 0.00 177.57 176.19 3k2s h GLN 98 N -0.19 0.56 -0.60 1.57 5.75 -1.87 -3.30 115.11 117.03 3k2s h GLN 98 Ca 0.10 -0.56 0.17 0.00 -0.15 0.00 0.00 58.65 58.22 3k2s h GLN 98 Cb 0.46 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3k2s h GLN 98 CO -0.69 1.18 0.58 -1.35 -2.65 0.00 0.00 178.83 175.90 3k2s h PRO 99 N 0.15 0.00 0.00 -2.39 0.11 -1.85 -3.13 132.00 124.89 3k2s h PRO 99 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3k2s h PRO 99 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3k2s h PRO 99 CO 0.15 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.42 3k2s n TYR 100 N -3.80 0.00 -0.32 0.65 4.11 -1.20 -4.48 117.16 112.12 3k2s n TYR 100 Ca 0.12 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.17 3k2s n TYR 100 Cb 0.81 -0.49 0.30 0.00 -0.00 0.00 0.00 39.34 39.96 3k2s n TYR 100 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3k2s h LEU 101 N 0.00 -0.25 -0.87 -3.48 5.85 -1.80 -0.07 115.31 114.68 3k2s h LEU 101 Ca 0.00 0.25 0.15 0.00 0.84 0.00 0.00 57.88 59.11 3k2s h LEU 101 Cb 0.20 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 3k2s h LEU 101 CO 0.00 -0.29 0.47 0.44 -0.34 0.00 0.00 178.44 178.73 3k2s h ASP 102 N 0.08 0.59 0.26 1.25 3.45 -1.91 0.42 116.42 120.56 3k2s h ASP 102 Ca 0.59 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 58.12 3k2s h ASP 102 Cb 1.23 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3k2s h ASP 102 CO -0.80 0.25 -0.12 -0.78 -1.57 0.00 0.00 179.24 176.22 3k2s h ASP 103 N 0.67 -0.29 1.51 6.45 -0.00 -1.36 -1.28 116.42 122.12 3k2s h ASP 103 Ca 0.48 -0.22 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 3k2s h ASP 103 Cb 0.66 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.06 3k2s h ASP 103 CO -0.35 0.10 0.00 -0.26 -0.00 0.00 0.00 179.24 178.73 3k2s h PHE 104 N -0.74 0.00 -0.25 0.28 -1.00 -1.43 0.84 116.94 114.65 3k2s h PHE 104 Ca -0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.60 3k2s h PHE 104 Cb 0.49 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.05 3k2s h PHE 104 CO 0.04 0.00 -0.42 1.96 -1.61 0.00 0.00 178.31 178.28 3k2s h GLN 105 N 0.00 0.72 -0.56 1.51 1.08 -1.00 -1.59 115.11 115.27 3k2s h GLN 105 Ca 0.00 -0.44 -0.06 0.00 -1.45 0.00 0.00 58.65 56.69 3k2s h GLN 105 Cb 0.75 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 3k2s h GLN 105 CO 0.00 1.07 0.10 1.57 -0.95 0.00 0.00 178.83 180.61 3k2s h LYS 106 N 0.44 0.89 -0.40 1.46 5.09 -0.53 0.65 116.57 124.18 3k2s h LYS 106 Ca 0.02 -0.21 -0.09 0.00 0.09 0.00 0.00 60.65 60.46 3k2s h LYS 106 Cb 1.02 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.21 3k2s h LYS 106 CO 0.09 0.83 -0.08 -0.22 -2.09 0.00 0.00 179.45 177.98 3k2s h LYS 107 N 0.85 0.77 -0.42 0.07 3.64 -0.92 0.13 116.57 120.68 3k2s h LYS 107 Ca 0.18 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3k2s h LYS 107 Cb 0.37 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3k2s h LYS 107 CO 0.01 0.89 0.11 2.35 -2.27 0.00 0.00 179.45 180.54 3k2s h TRP 108 N 0.58 0.19 -0.77 1.91 2.91 -1.18 -2.09 115.95 117.50 3k2s h TRP 108 Ca 0.10 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.09 3k2s h TRP 108 Cb 0.60 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.20 3k2s h TRP 108 CO 0.05 0.04 0.26 1.96 -1.03 0.00 0.00 178.44 179.72 3k2s h GLN 109 N 0.25 1.18 0.00 2.65 4.20 -0.72 0.37 115.11 123.04 3k2s h GLN 109 Ca 0.20 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3k2s h GLN 109 Cb 0.23 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3k2s h GLN 109 CO -0.24 0.99 0.00 0.39 -0.67 0.00 0.00 178.83 179.29 3k2s n GLU 110 N -4.25 0.45 0.00 1.46 1.02 0.44 -2.46 120.64 117.30 3k2s n GLU 110 Ca 0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3k2s n GLU 110 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3k2s n GLU 110 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k2s n GLU 111 N -1.10 0.00 -0.05 3.49 -0.58 -0.80 -4.61 120.64 116.98 3k2s n GLU 111 Ca 0.12 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.66 3k2s n GLU 111 Cb 0.09 -0.76 -0.13 0.00 -0.57 0.00 0.00 31.44 30.07 3k2s n GLU 111 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3k2s h MET 112 N 0.00 0.10 0.00 3.49 4.05 -0.36 -1.96 114.93 120.25 3k2s h MET 112 Ca 0.00 -0.18 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 3k2s h MET 112 Cb 1.00 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 3k2s h MET 112 CO 0.00 1.08 -0.42 0.93 0.23 0.00 0.00 176.91 178.73 3k2s h GLU 113 N -0.71 0.00 -0.38 0.39 4.39 -1.65 -2.26 114.58 114.36 3k2s h GLU 113 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3k2s h GLU 113 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3k2s h GLU 113 CO -0.04 0.42 0.00 1.28 -1.16 0.00 0.00 179.01 179.51 3k2s n LEU 114 N -3.77 2.60 -0.08 1.33 4.77 -1.23 -3.38 117.00 117.24 3k2s n LEU 114 Ca -0.01 -1.20 -0.13 0.00 -0.03 0.00 0.00 56.01 54.64 3k2s n LEU 114 Cb 0.49 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3k2s n LEU 114 CO 0.38 0.60 -0.26 0.22 -1.33 0.00 0.00 177.39 177.00 3k2s h TYR 115 N 3.14 0.00 0.00 -1.77 5.03 -0.74 -3.40 116.97 119.23 3k2s h TYR 115 Ca 0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 3k2s h TYR 115 Cb 0.70 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 3k2s h TYR 115 CO 0.25 0.83 -0.15 0.07 -1.32 0.00 0.00 178.16 177.84 3k2s h ARG 116 N -1.00 0.00 -0.51 1.82 0.11 -1.66 -2.78 114.38 110.36 3k2s h ARG 116 Ca -0.16 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.07 3k2s h ARG 116 Cb 0.89 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.94 3k2s h ARG 116 CO -0.09 0.15 0.37 -0.56 0.10 0.00 0.00 179.97 179.93 3k2s h GLN 117 N 0.00 0.04 0.07 0.08 3.07 -1.76 0.19 115.11 116.80 3k2s h GLN 117 Ca -0.00 -0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.45 3k2s h GLN 117 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 3k2s h GLN 117 CO 0.02 0.03 -1.53 0.87 0.09 0.00 0.00 178.83 178.30 3k2s h LYS 118 N 0.04 0.15 -0.20 0.06 1.57 -1.72 -3.40 116.57 113.06 3k2s h LYS 118 Ca 0.24 -0.26 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3k2s h LYS 118 Cb 0.92 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3k2s h LYS 118 CO -0.01 1.12 -0.59 0.28 -0.57 0.00 0.00 179.45 179.68 3k2s h VAL 119 N -0.46 1.31 -0.84 0.50 2.07 -1.38 -2.57 116.25 114.87 3k2s h VAL 119 Ca -0.36 -1.83 0.07 0.00 0.82 0.00 0.00 66.70 65.41 3k2s h VAL 119 Cb 1.66 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 33.15 3k2s h VAL 119 CO -0.04 0.58 0.51 -0.33 0.02 0.00 0.00 177.57 178.31 3k2s h GLU 120 N 0.50 0.88 0.02 1.57 5.08 -0.87 0.92 114.58 122.68 3k2s h GLU 120 Ca 0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3k2s h GLU 120 Cb 1.17 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.23 3k2s h GLU 120 CO 0.12 0.58 -0.55 -1.00 -1.00 0.00 0.00 179.01 177.16 3k2s h PRO 121 N 0.90 0.34 -0.64 2.33 0.13 -1.78 -3.40 132.00 129.90 3k2s h PRO 121 Ca 0.38 -0.39 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 3k2s h PRO 121 Cb 0.24 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.45 3k2s h PRO 121 CO -0.20 1.08 0.42 -0.07 -0.23 0.00 0.00 178.00 179.00 3k2s h LEU 122 N -0.23 0.64 -0.74 1.56 3.38 -1.11 -0.37 115.31 118.44 3k2s h LEU 122 Ca -0.07 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.02 3k2s h LEU 122 Cb 1.29 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3k2s h LEU 122 CO 0.11 0.44 0.30 0.08 0.09 0.00 0.00 178.44 179.46 3k2s h ARG 123 N 0.74 0.45 0.19 1.13 0.11 -1.03 -0.47 114.38 115.51 3k2s h ARG 123 Ca 0.26 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 59.96 3k2s h ARG 123 Cb 0.09 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.08 3k2s h ARG 123 CO -0.07 0.30 -1.72 0.00 0.10 0.00 0.00 179.97 178.58 3k2s h ALA 124 N 1.52 0.13 0.00 0.08 0.00 -1.59 -1.07 119.26 118.33 3k2s h ALA 124 Ca 0.40 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3k2s h ALA 124 Cb 0.58 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3k2s h ALA 124 CO -0.38 1.00 0.00 0.93 0.00 0.00 0.00 179.25 180.80 3k2s h GLU 125 N 0.11 0.00 0.00 0.00 5.08 -1.03 0.31 114.58 119.05 3k2s h GLU 125 Ca -0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3k2s h GLU 125 Cb 2.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 3k2s h GLU 125 CO 0.19 0.00 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.99 3k2s h LEU 126 N 0.00 0.00 -0.53 1.33 3.38 -1.13 -3.33 115.31 115.03 3k2s h LEU 126 Ca 0.00 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.41 3k2s h LEU 126 Cb 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3k2s h LEU 126 CO 0.00 0.89 0.22 0.06 0.09 0.00 0.00 178.44 179.70 3k2s h GLN 127 N -1.00 0.40 0.00 1.13 3.07 -0.95 0.75 115.11 118.51 3k2s h GLN 127 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 3k2s h GLN 127 Cb 0.72 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 3k2s h GLN 127 CO -0.02 0.27 -0.15 0.93 0.09 0.00 0.00 178.83 179.95 3k2s h GLU 128 N 0.42 0.00 0.05 0.06 4.39 -1.16 -3.22 114.58 115.11 3k2s h GLU 128 Ca 0.25 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.60 3k2s h GLU 128 Cb 0.25 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3k2s h GLU 128 CO -0.23 0.15 -2.03 0.41 -1.16 0.00 0.00 179.01 176.15 3k2s n GLY 129 N 0.92 -0.71 0.05 -3.84 0.00 -1.13 -4.16 105.19 96.33 3k2s n GLY 129 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3k2s n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2s n ALA 130 N -2.88 1.14 -0.05 4.61 0.00 0.24 -2.86 120.51 120.72 3k2s n ALA 130 Ca -0.30 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.22 3k2s n ALA 130 Cb 1.05 -1.14 0.36 0.00 0.00 0.00 0.00 19.45 19.72 3k2s n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k2s h ARG 131 N 0.00 0.64 0.00 0.00 3.08 -1.72 0.32 114.38 116.70 3k2s h ARG 131 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3k2s h ARG 131 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3k2s h ARG 131 CO 0.00 0.46 -0.16 0.37 -1.07 0.00 0.00 179.97 179.56 3k2s h GLN 132 N 0.65 0.00 0.00 0.04 -0.00 -1.82 -1.82 115.11 112.16 3k2s h GLN 132 Ca 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.67 3k2s h GLN 132 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.44 3k2s h GLN 132 CO -0.03 0.16 -1.66 1.63 0.00 0.00 0.00 178.83 178.93 3k2s n LYS 133 N -3.66 0.64 -0.31 1.69 4.76 -0.56 -2.70 118.16 118.02 3k2s n LYS 133 Ca -0.01 0.09 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 3k2s n LYS 133 Cb 0.29 -1.70 0.08 0.00 -1.84 0.00 0.00 35.03 31.85 3k2s n LYS 133 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3k2s h LEU 134 N 0.00 1.02 -1.51 -0.35 3.38 -0.25 -1.86 115.31 115.74 3k2s h LEU 134 Ca -0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3k2s h LEU 134 Cb 1.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3k2s h LEU 134 CO 0.03 0.80 0.02 0.45 0.09 0.00 0.00 178.44 179.83 3k2s h HIS 135 N 1.16 0.34 0.00 1.13 3.86 -1.45 0.17 115.15 120.36 3k2s h HIS 135 Ca 0.30 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 3k2s h HIS 135 Cb -0.03 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 3k2s h HIS 135 CO -0.00 0.34 -0.05 1.05 0.86 0.00 0.00 177.93 180.13 3k2s h GLU 136 N 0.34 0.00 0.00 2.45 4.11 -1.15 -2.09 114.58 118.24 3k2s h GLU 136 Ca 0.08 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.32 3k2s h GLU 136 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3k2s h GLU 136 CO 0.00 0.05 -1.35 1.28 0.07 0.00 0.00 179.01 179.06 3k2s n LEU 137 N -3.30 1.89 0.12 3.06 4.77 -0.82 -4.13 117.00 118.59 3k2s n LEU 137 Ca -0.01 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 3k2s n LEU 137 Cb 0.21 -0.86 0.54 0.00 -2.33 0.00 0.00 43.42 40.98 3k2s n LEU 137 CO 0.26 0.05 1.12 -0.61 -1.33 0.00 0.00 177.39 176.88 3k2s h GLN 138 N -1.00 0.25 -0.33 3.23 4.15 -0.73 -1.29 115.11 119.40 3k2s h GLN 138 Ca -0.28 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.01 3k2s h GLN 138 Cb 1.12 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 3k2s h GLN 138 CO -0.17 0.17 -0.01 0.39 -1.93 0.00 0.00 178.83 177.28 3k2s n GLU 139 N -4.50 2.30 -0.02 1.69 4.71 -0.79 -4.53 120.64 119.51 3k2s n GLU 139 Ca 0.01 -3.02 -0.06 0.00 -0.01 0.00 0.00 57.16 54.09 3k2s n GLU 139 Cb 0.11 -1.84 -0.02 0.00 -1.01 0.00 0.00 31.44 28.69 3k2s n GLU 139 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3k2s n LYS 140 N -0.87 0.14 -0.07 3.49 4.01 -0.71 -4.75 118.16 119.40 3k2s n LYS 140 Ca 0.29 0.06 -0.07 0.00 -0.51 0.00 0.00 58.31 58.08 3k2s n LYS 140 Cb 0.99 -0.74 -0.01 0.00 -0.51 0.00 0.00 35.03 34.76 3k2s n LYS 140 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 3k2s h LEU 141 N -0.24 -0.31 -0.38 -0.35 -0.00 -1.50 -1.95 115.31 110.57 3k2s h LEU 141 Ca -0.12 0.09 -0.15 0.00 -0.00 0.00 0.00 57.88 57.69 3k2s h LEU 141 Cb 0.87 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 3k2s h LEU 141 CO -0.07 -0.11 -0.37 0.77 -0.00 0.00 0.00 178.44 178.66 3k2s h SER 142 N -0.03 0.99 0.87 0.17 4.64 -1.84 -2.23 113.55 116.11 3k2s h SER 142 Ca 0.13 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3k2s h SER 142 Cb 0.23 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3k2s h SER 142 CO -0.29 1.24 0.00 1.55 -0.87 0.00 0.00 176.83 178.46 3k2s h PRO 143 N 0.74 0.00 0.39 4.77 0.13 -1.84 -2.88 132.00 133.31 3k2s h PRO 143 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3k2s h PRO 143 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3k2s h PRO 143 CO 0.09 0.00 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.60 3k2s h LEU 144 N 0.00 -0.44 0.00 1.56 3.38 -1.21 -3.37 115.31 115.23 3k2s h LEU 144 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k2s h LEU 144 Cb 0.44 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3k2s h LEU 144 CO 0.00 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3k2s n GLY 145 N -0.23 0.00 0.30 0.83 0.00 -0.85 -1.51 105.19 103.72 3k2s n GLY 145 Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.12 3k2s n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k2s h GLU 146 N 0.00 0.00 0.00 1.61 4.39 -1.70 -0.38 114.58 118.50 3k2s h GLU 146 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 3k2s h GLU 146 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3k2s h GLU 146 CO 0.00 0.00 -1.87 0.39 -1.16 0.00 0.00 179.01 176.37 3k2s n GLU 147 N -2.91 0.90 -0.06 2.33 4.71 -0.57 -4.60 120.64 120.44 3k2s n GLU 147 Ca -0.02 0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.30 3k2s n GLU 147 Cb 0.09 -1.31 0.51 0.00 -1.01 0.00 0.00 31.44 29.72 3k2s n GLU 147 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 3k2s h MET 148 N 0.00 0.37 -0.16 3.49 2.86 -1.08 -0.38 114.93 120.03 3k2s h MET 148 Ca -0.34 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.15 3k2s h MET 148 Cb 1.60 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.17 3k2s h MET 148 CO -0.03 0.25 -0.43 0.07 1.06 0.00 0.00 176.91 177.82 3k2s h ARG 149 N 0.38 0.39 0.09 1.72 0.11 -1.34 -2.59 114.38 113.15 3k2s h ARG 149 Ca 0.25 -0.20 -0.27 0.00 0.10 0.00 0.00 59.98 59.87 3k2s h ARG 149 Cb 0.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 3k2s h ARG 149 CO -0.07 0.75 -1.26 0.22 0.10 0.00 0.00 179.97 179.72 3k2s h ASP 150 N 0.32 0.30 0.00 0.08 1.82 -1.69 -3.18 116.42 114.07 3k2s h ASP 150 Ca 0.02 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 3k2s h ASP 150 Cb 0.90 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.81 3k2s h ASP 150 CO 0.07 1.28 0.00 -1.14 -1.61 0.00 0.00 179.24 177.84 3k2s n ARG 151 N -3.46 0.47 0.04 0.28 0.00 -0.20 -0.30 116.66 113.50 3k2s n ARG 151 Ca -0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.87 3k2s n ARG 151 Cb 1.01 -1.23 -0.09 0.00 0.00 0.00 0.00 32.46 32.15 3k2s n ARG 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k2s n ALA 152 N -0.73 2.59 -0.02 5.13 0.00 -0.98 -4.80 120.51 121.70 3k2s n ALA 152 Ca 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 3k2s n ALA 152 Cb 0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3k2s n ALA 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3k2s n ARG 153 N -2.49 0.07 -0.23 0.00 0.00 -0.06 -4.82 116.66 109.14 3k2s n ARG 153 Ca -0.04 0.03 0.17 0.00 -0.00 0.00 0.00 57.85 58.02 3k2s n ARG 153 Cb 0.60 -0.70 0.33 0.00 0.00 0.00 0.00 32.46 32.69 3k2s n ARG 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k2s n ALA 154 N -3.05 0.57 0.00 5.13 0.00 0.59 -0.56 120.51 123.19 3k2s n ALA 154 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3k2s n ALA 154 Cb 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3k2s n ALA 154 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3k2s n HIS 155 N -4.70 0.00 -3.46 0.00 -0.00 -1.26 -4.98 115.22 100.83 3k2s n HIS 155 Ca 0.22 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.70 3k2s n HIS 155 Cb 0.75 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.62 3k2s n HIS 155 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3k2s s VAL 156 N -2.04 -0.12 0.30 3.57 1.01 0.28 -5.06 120.40 118.34 3k2s s VAL 156 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3k2s s VAL 156 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3k2s s VAL 156 CO 0.00 -0.73 0.00 -0.67 0.00 0.00 0.00 175.10 173.70 3k2s n ASP 157 N 4.74 -6.64 -0.56 3.32 -0.08 -1.26 -4.57 116.55 111.50 3k2s n ASP 157 Ca 0.03 0.57 0.12 0.00 -1.51 0.00 0.00 54.79 54.00 3k2s n ASP 157 Cb 0.42 -3.45 0.24 0.00 2.34 0.00 0.00 41.12 40.66 3k2s n ASP 157 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k2s n ALA 158 N -2.41 2.92 -2.25 -1.67 0.00 -1.26 -4.95 120.51 110.90 3k2s n ALA 158 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 3k2s n ALA 158 Cb 0.51 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3k2s n ALA 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2s n LEU 159 N 0.25 -1.48 -4.39 0.00 4.32 -1.26 -4.20 117.00 110.23 3k2s n LEU 159 Ca 0.13 -0.03 -0.39 0.00 -0.02 0.00 0.00 56.01 55.71 3k2s n LEU 159 Cb 0.45 -0.91 -0.06 0.00 -1.62 0.00 0.00 43.42 41.28 3k2s n LEU 159 CO 0.21 0.01 -0.15 -2.11 -1.22 0.00 0.00 177.39 174.13 3k2s n ARG 160 N -1.31 -1.69 -1.37 3.23 1.85 -1.26 -4.81 116.66 111.30 3k2s n ARG 160 Ca -0.03 0.23 -0.53 0.00 -1.00 0.00 0.00 57.85 56.52 3k2s n ARG 160 Cb 0.52 -4.73 -0.10 0.00 -1.05 0.00 0.00 32.46 27.10 3k2s n ARG 160 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3k2s n THR 161 N -4.24 0.08 -3.19 8.89 -1.04 -1.26 -4.95 114.28 108.56 3k2s n THR 161 Ca 0.04 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 3k2s n THR 161 Cb 0.50 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.86 3k2s n THR 161 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3k2s s HIS 162 N 7.18 3.50 -0.87 -1.42 3.76 -1.26 -4.98 115.29 121.20 3k2s s HIS 162 Ca 1.16 1.00 0.25 0.00 -0.15 0.00 0.00 55.06 57.32 3k2s s HIS 162 Cb -1.14 -2.68 0.41 0.00 1.11 0.00 0.00 32.58 30.28 3k2s s HIS 162 CO 0.55 0.07 1.35 1.28 -0.85 0.00 0.00 174.74 177.13 3k2s n LEU 163 N 4.02 0.56 -3.82 0.89 4.32 -1.26 -4.91 117.00 116.81 3k2s n LEU 163 Ca -0.04 0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 55.88 3k2s n LEU 163 Cb 0.51 -0.21 -0.10 0.00 -1.62 0.00 0.00 43.42 42.00 3k2s n LEU 163 CO 0.44 0.07 -0.09 0.00 -1.22 0.00 0.00 177.39 176.59 3k2s s ALA 164 N -3.06 -0.54 0.44 -1.18 0.00 -1.26 -5.07 121.76 111.10 3k2s s ALA 164 Ca 0.09 0.21 0.20 0.00 0.00 0.00 0.00 51.96 52.46 3k2s s ALA 164 Cb 0.16 -0.02 1.16 0.00 0.00 0.00 0.00 23.12 24.41 3k2s s ALA 164 CO 0.72 -0.20 1.88 -1.35 0.00 0.00 0.00 175.76 176.81 3k2s h PRO 165 N 4.51 0.31 -1.23 0.00 0.11 -1.98 -3.05 132.00 130.67 3k2s h PRO 165 Ca -0.29 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.49 3k2s h PRO 165 Cb 1.19 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 3k2s h PRO 165 CO 0.39 0.21 0.40 0.66 -0.21 0.00 0.00 178.00 179.45 3k2s n TYR 166 N -4.46 1.65 0.23 0.65 4.01 -1.26 -4.21 117.16 113.77 3k2s n TYR 166 Ca 0.17 -1.61 0.04 0.00 -0.16 0.00 0.00 57.90 56.34 3k2s n TYR 166 Cb 0.69 -0.80 0.05 0.00 -0.31 0.00 0.00 39.34 38.98 3k2s n TYR 166 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3k2s n SER 167 N -0.08 1.91 -4.80 7.72 3.41 -1.15 -4.77 113.62 115.86 3k2s n SER 167 Ca 0.32 -1.49 -0.24 0.00 -0.26 0.00 0.00 58.87 57.20 3k2s n SER 167 Cb 0.86 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 3k2s n SER 167 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3k2s s ASP 168 N -0.75 5.47 -0.23 4.04 -0.00 -1.26 -5.08 116.67 118.86 3k2s s ASP 168 Ca 0.11 -0.23 -0.01 0.00 -0.00 0.00 0.00 52.55 52.42 3k2s s ASP 168 Cb 0.07 -1.39 0.02 0.00 -0.00 0.00 0.00 42.92 41.62 3k2s s ASP 168 CO 0.10 0.00 -0.10 -0.70 -0.00 0.00 0.00 175.17 174.48 3k2s s GLU 169 N -3.56 2.94 0.12 8.23 -6.30 -1.26 -5.09 118.70 113.79 3k2s s GLU 169 Ca 0.32 -0.89 -0.06 0.00 -2.50 0.00 0.00 54.97 51.84 3k2s s GLU 169 Cb -0.09 -2.88 -0.02 0.00 0.00 0.00 0.00 34.13 31.15 3k2s s GLU 169 CO 0.24 -0.32 0.16 -1.17 0.02 0.00 0.00 175.26 174.19 3k2s s LEU 170 N 1.33 1.48 -0.03 2.70 1.98 -1.26 -5.19 118.68 119.70 3k2s s LEU 170 Ca 0.02 -0.94 -0.21 0.00 -2.89 0.00 0.00 54.13 50.11 3k2s s LEU 170 Cb -0.15 0.78 0.04 0.00 0.66 0.00 0.00 46.19 47.52 3k2s s LEU 170 CO -0.07 -0.78 0.46 0.00 -1.89 0.00 0.00 176.35 174.08 3k2s s ARG 171 N -3.96 0.84 -0.04 1.98 3.03 -1.26 -5.18 118.95 114.36 3k2s s ARG 171 Ca 0.15 -0.02 0.06 0.00 2.03 0.00 0.00 55.73 57.95 3k2s s ARG 171 Cb 0.05 0.38 -0.01 0.00 -1.03 0.00 0.00 34.95 34.35 3k2s s ARG 171 CO -0.03 -0.25 -0.21 -1.14 -1.13 0.00 0.00 175.30 172.55 3k2s s GLN 172 N -1.33 1.96 0.00 3.89 2.00 -1.26 -5.09 119.66 119.84 3k2s s GLN 172 Ca -0.12 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 52.50 3k2s s GLN 172 Cb -0.03 -1.75 0.00 0.00 0.80 0.00 0.00 33.01 32.03 3k2s s GLN 172 CO 0.06 0.36 0.00 2.89 -0.50 0.00 0.00 175.29 178.10 3k2s n ARG 173 N 2.88 0.00 -0.80 1.67 1.85 -1.26 -5.07 116.66 115.92 3k2s n ARG 173 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 3k2s n ARG 173 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3k2s n ARG 173 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3k2s n LEU 174 N 0.00 -0.02 -0.57 2.89 4.77 -1.26 -4.92 117.00 117.89 3k2s n LEU 174 Ca 0.00 0.00 0.47 0.00 -0.03 0.00 0.00 56.01 56.45 3k2s n LEU 174 Cb 0.00 -0.39 0.80 0.00 -2.33 0.00 0.00 43.42 41.50 3k2s n LEU 174 CO 0.00 0.00 1.43 0.00 -1.33 0.00 0.00 177.39 177.49 3k2s h ALA 175 N 0.00 3.59 -0.98 -1.18 0.00 -1.97 -0.82 119.26 117.90 3k2s h ALA 175 Ca 0.00 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.24 3k2s h ALA 175 Cb 0.02 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 17.77 3k2s h ALA 175 CO 0.00 -2.08 0.43 0.00 0.00 0.00 0.00 179.25 177.60 3k2s n ALA 176 N -2.86 0.91 -0.03 0.00 0.00 -1.26 -2.45 120.51 114.81 3k2s n ALA 176 Ca 0.38 1.01 -0.04 0.00 0.00 0.00 0.00 53.44 54.79 3k2s n ALA 176 Cb 1.74 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 3k2s n ALA 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k2s n ARG 177 N -5.26 1.19 -0.34 0.00 1.74 -0.61 -4.81 116.66 108.56 3k2s n ARG 177 Ca 0.34 0.02 0.22 0.00 -0.77 0.00 0.00 57.85 57.67 3k2s n ARG 177 Cb 1.16 -1.13 0.48 0.00 -1.02 0.00 0.00 32.46 31.95 3k2s n ARG 177 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3k2s h LEU 178 N 0.00 0.51 -0.02 0.55 6.46 -1.12 0.29 115.31 121.98 3k2s h LEU 178 Ca -0.14 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3k2s h LEU 178 Cb 1.26 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 3k2s h LEU 178 CO -0.01 0.04 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.49 3k2s h GLU 179 N 0.42 0.05 -0.20 1.25 4.39 -1.75 -1.78 114.58 116.95 3k2s h GLU 179 Ca 0.65 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.22 3k2s h GLU 179 Cb 1.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3k2s h GLU 179 CO -0.41 0.59 -0.29 0.00 -1.16 0.00 0.00 179.01 177.74 3k2s h ALA 180 N 0.46 1.12 -0.70 3.43 0.00 -1.51 -2.75 119.26 119.31 3k2s h ALA 180 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3k2s h ALA 180 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3k2s h ALA 180 CO 0.01 0.55 0.43 1.25 0.00 0.00 0.00 179.25 181.49 3k2s h LEU 181 N 0.35 0.69 -0.77 0.00 6.46 -0.53 0.84 115.31 122.36 3k2s h LEU 181 Ca 0.05 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 3k2s h LEU 181 Cb 0.70 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3k2s h LEU 181 CO 0.05 0.47 -0.05 0.07 -0.62 0.00 0.00 178.44 178.36 3k2s h LYS 182 N 0.83 0.89 -0.14 1.25 2.10 -1.12 -0.78 116.57 119.59 3k2s h LYS 182 Ca 0.29 -0.28 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 3k2s h LYS 182 Cb 0.07 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3k2s h LYS 182 CO -0.13 0.91 -0.26 0.93 -2.00 0.00 0.00 179.45 178.91 3k2s h GLU 183 N 0.81 0.43 0.00 0.07 3.07 -1.29 -0.12 114.58 117.56 3k2s h GLU 183 Ca 0.14 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3k2s h GLU 183 Cb 0.55 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3k2s h GLU 183 CO 0.03 0.87 0.00 0.09 -1.40 0.00 0.00 179.01 178.60 3k2s n ASN 184 N -4.43 0.21 -0.00 1.42 3.02 0.27 -0.71 115.26 115.04 3k2s n ASN 184 Ca -0.07 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.13 3k2s n ASN 184 Cb 0.45 -0.60 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 3k2s n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k2s n GLY 185 N -0.33 -0.64 0.05 7.41 0.00 -0.30 -3.85 105.19 107.52 3k2s n GLY 185 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3k2s n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2s n GLY 186 N 1.42 -0.51 0.16 -0.02 0.00 -0.08 -3.01 105.19 103.15 3k2s n GLY 186 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3k2s n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2s h ALA 187 N 0.55 0.36 -0.79 4.61 0.00 -1.17 -3.01 119.26 119.81 3k2s h ALA 187 Ca -0.26 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.63 3k2s h ALA 187 Cb 1.55 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 3k2s h ALA 187 CO 0.01 0.04 0.30 -0.09 0.00 0.00 0.00 179.25 179.51 3k2s h ARG 188 N 0.26 0.38 -0.73 0.00 2.43 -1.74 0.35 114.38 115.33 3k2s h ARG 188 Ca 0.08 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3k2s h ARG 188 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3k2s h ARG 188 CO 0.01 0.25 0.33 1.25 -1.51 0.00 0.00 179.97 180.30 3k2s h LEU 189 N 0.40 0.97 -0.23 3.80 6.46 -1.50 -0.11 115.31 125.10 3k2s h LEU 189 Ca 0.46 -0.15 -0.22 0.00 -0.12 0.00 0.00 57.88 57.86 3k2s h LEU 189 Cb 0.77 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 3k2s h LEU 189 CO -0.47 0.85 -0.84 0.00 -0.62 0.00 0.00 178.44 177.36 3k2s h ALA 190 N 1.16 0.41 -0.03 1.25 0.00 -1.34 -3.29 119.26 117.42 3k2s h ALA 190 Ca 0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3k2s h ALA 190 Cb 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k2s h ALA 190 CO -0.03 0.75 0.02 0.93 0.00 0.00 0.00 179.25 180.92 3k2s h GLU 191 N 0.34 0.05 0.00 0.00 4.39 -0.72 -0.98 114.58 117.66 3k2s h GLU 191 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3k2s h GLU 191 Cb 1.46 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 3k2s h GLU 191 CO 0.15 0.12 0.00 0.66 -1.16 0.00 0.00 179.01 178.78 3k2s n TYR 192 N -5.02 0.00 0.00 4.33 4.02 -0.07 -0.50 117.16 119.92 3k2s n TYR 192 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3k2s n TYR 192 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3k2s n TYR 192 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3k2s n HIS 193 N -0.73 0.00 0.04 -0.72 8.25 -1.19 -4.43 115.22 116.43 3k2s n HIS 193 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 3k2s n HIS 193 Cb 0.04 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 3k2s n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k2s h ALA 194 N 0.00 -0.06 0.00 -1.41 0.00 -1.04 -2.12 119.26 114.62 3k2s h ALA 194 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k2s h ALA 194 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k2s h ALA 194 CO 0.00 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.47 3k2s n LYS 195 N -5.00 0.98 0.00 0.00 5.02 0.35 -2.80 118.16 116.71 3k2s n LYS 195 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3k2s n LYS 195 Cb 0.16 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3k2s n LYS 195 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k2s n ALA 196 N 1.47 1.54 -0.22 7.82 0.00 -1.20 -4.81 120.51 125.12 3k2s n ALA 196 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3k2s n ALA 196 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 3k2s n ALA 196 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3k2s h THR 197 N 0.00 1.23 -0.01 0.00 2.02 -1.21 0.59 112.91 115.54 3k2s h THR 197 Ca 0.00 -0.69 -0.18 0.00 0.77 0.00 0.00 66.41 66.31 3k2s h THR 197 Cb 0.00 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3k2s h THR 197 CO 0.00 0.27 -0.82 1.05 0.37 0.00 0.00 175.52 176.39 3k2s h GLU 198 N 0.86 0.18 -0.16 6.66 -0.00 -1.87 -3.00 114.58 117.26 3k2s h GLU 198 Ca 0.21 -0.18 -0.14 0.00 -0.00 0.00 0.00 59.36 59.25 3k2s h GLU 198 Cb 0.17 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.98 3k2s h GLU 198 CO -0.02 0.90 -0.44 0.45 -0.00 0.00 0.00 179.01 179.90 3k2s h HIS 199 N 0.11 0.74 -0.94 2.06 3.86 -1.80 -1.79 115.15 117.38 3k2s h HIS 199 Ca -0.03 -0.29 0.02 0.00 -1.16 0.00 0.00 60.37 58.91 3k2s h HIS 199 Cb 1.42 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.72 3k2s h HIS 199 CO 0.02 1.06 0.62 -0.07 0.86 0.00 0.00 177.93 180.42 3k2s h LEU 200 N 0.22 1.05 -0.41 2.43 3.38 0.11 0.33 115.31 122.42 3k2s h LEU 200 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3k2s h LEU 200 Cb 1.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3k2s h LEU 200 CO 0.09 0.74 -0.26 0.77 0.09 0.00 0.00 178.44 179.88 3k2s h SER 201 N 1.23 0.94 0.16 -0.43 4.64 -1.61 -1.31 113.55 117.18 3k2s h SER 201 Ca 0.36 -0.42 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 3k2s h SER 201 Cb -0.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 3k2s h SER 201 CO -0.10 1.16 -0.35 0.74 -0.87 0.00 0.00 176.83 177.41 3k2s h THR 202 N 0.73 1.29 0.00 2.95 2.02 -0.80 -2.38 112.91 116.72 3k2s h THR 202 Ca 0.09 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.88 3k2s h THR 202 Cb 0.83 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3k2s h THR 202 CO 0.07 0.42 0.00 0.18 0.37 0.00 0.00 175.52 176.56 3k2s n LEU 203 N -4.07 0.05 0.00 2.58 4.77 0.11 -4.08 117.00 116.36 3k2s n LEU 203 Ca -0.01 0.86 0.04 0.00 -0.03 0.00 0.00 56.01 56.86 3k2s n LEU 203 Cb 0.44 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.28 3k2s n LEU 203 CO 0.41 -0.46 0.41 -1.54 -1.33 0.00 0.00 177.39 174.89 3k2s n SER 204 N -1.88 0.00 0.17 -1.43 3.41 -0.50 -1.99 113.62 111.41 3k2s n SER 204 Ca 0.00 -0.53 0.03 0.00 -0.26 0.00 0.00 58.87 58.11 3k2s n SER 204 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 3k2s n SER 204 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k2s h GLU 205 N 0.00 0.00 0.00 4.33 5.08 -1.57 -3.41 114.58 119.01 3k2s h GLU 205 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3k2s h GLU 205 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 3k2s h GLU 205 CO 0.00 0.47 -0.48 1.63 -1.00 0.00 0.00 179.01 179.63 3k2s n LYS 206 N -3.70 0.85 -0.04 2.33 5.02 -0.84 -4.91 118.16 116.87 3k2s n LYS 206 Ca -0.01 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 3k2s n LYS 206 Cb 0.54 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3k2s n LYS 206 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k2s n ALA 207 N -0.64 1.74 0.15 7.82 0.00 -1.26 -2.85 120.51 125.48 3k2s n ALA 207 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3k2s n ALA 207 Cb 0.78 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3k2s n ALA 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k2s n LYS 208 N 1.49 0.00 0.27 0.00 5.02 -1.26 -4.98 118.16 118.70 3k2s n LYS 208 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 3k2s n LYS 208 Cb 0.07 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 35.77 3k2s n LYS 208 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3k2s h PRO 209 N 0.00 0.00 -0.76 1.97 0.13 -1.94 -3.33 132.00 128.08 3k2s h PRO 209 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.35 3k2s h PRO 209 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3k2s h PRO 209 CO 0.00 0.04 0.98 0.00 -0.23 0.00 0.00 178.00 178.79 3k2s h ALA 210 N 1.96 2.62 0.00 -0.56 0.00 -1.91 0.18 119.26 121.55 3k2s h ALA 210 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k2s h ALA 210 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k2s h ALA 210 CO 0.01 -1.37 -0.79 1.28 0.00 0.00 0.00 179.25 178.37 3k2s n LEU 211 N -3.28 0.63 0.00 0.00 4.77 -1.25 -4.46 117.00 113.40 3k2s n LEU 211 Ca 0.16 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3k2s n LEU 211 Cb 1.22 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3k2s n LEU 211 CO 0.22 0.06 -0.15 1.21 -1.33 0.00 0.00 177.39 177.40 3k2s n GLU 212 N -1.84 3.63 -0.22 3.23 4.07 0.44 -3.71 120.64 126.24 3k2s n GLU 212 Ca 0.03 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.05 3k2s n GLU 212 Cb 0.40 -0.65 0.03 0.00 -0.06 0.00 0.00 31.44 31.16 3k2s n GLU 212 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 3k2s h ASP 213 N 0.00 0.91 -0.24 4.31 3.04 -1.29 0.87 116.42 124.01 3k2s h ASP 213 Ca 0.00 -0.22 0.06 0.00 -3.24 0.00 0.00 57.03 53.63 3k2s h ASP 213 Cb 0.06 -0.24 -0.07 0.00 -1.04 0.00 0.00 39.33 38.04 3k2s h ASP 213 CO 0.00 0.89 -0.26 0.25 -2.04 0.00 0.00 179.24 178.08 3k2s h LEU 214 N 0.89 -0.83 -0.71 0.15 6.46 -1.80 -2.71 115.31 116.77 3k2s h LEU 214 Ca 0.20 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 58.06 3k2s h LEU 214 Cb 0.31 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 3k2s h LEU 214 CO -0.00 -0.29 0.28 -0.09 -0.62 0.00 0.00 178.44 177.72 3k2s h ARG 215 N -0.27 1.06 -0.01 1.25 9.65 -1.59 -1.94 114.38 122.53 3k2s h ARG 215 Ca 0.14 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3k2s h ARG 215 Cb 0.48 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3k2s h ARG 215 CO -0.40 0.87 0.09 0.37 2.80 0.00 0.00 179.97 183.71 3k2s h GLN 216 N 1.01 0.00 -0.01 0.20 -0.00 -0.71 0.29 115.11 115.89 3k2s h GLN 216 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 3k2s h GLN 216 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.69 3k2s h GLN 216 CO -0.02 0.00 -0.69 0.41 0.00 0.00 0.00 178.83 178.53 3k2s n GLY 217 N -1.15 -0.62 0.10 2.39 0.00 -0.81 -4.15 105.19 100.95 3k2s n GLY 217 Ca -0.02 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 3k2s n GLY 217 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k2s h LEU 218 N 0.99 0.00 -0.12 0.99 3.38 -0.29 -3.41 115.31 116.84 3k2s h LEU 218 Ca 0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.39 3k2s h LEU 218 Cb 0.59 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3k2s h LEU 218 CO 0.00 1.41 -0.07 0.18 0.09 0.00 0.00 178.44 180.05 3k2s n LEU 219 N -4.46 -0.13 0.15 1.67 4.77 0.83 -0.02 117.00 119.81 3k2s n LEU 219 Ca -0.29 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 3k2s n LEU 219 Cb 0.65 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3k2s n LEU 219 CO 0.21 -0.32 0.46 1.55 -1.33 0.00 0.00 177.39 177.96 3k2s h PRO 220 N 0.00 0.00 0.00 3.23 0.13 -1.88 -3.21 132.00 130.28 3k2s h PRO 220 Ca 0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.09 3k2s h PRO 220 Cb 0.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 3k2s h PRO 220 CO -0.12 0.26 -0.28 0.28 -0.23 0.00 0.00 178.00 177.91 3k2s h VAL 221 N 0.00 1.09 0.00 1.56 2.07 -1.27 -3.25 116.25 116.46 3k2s h VAL 221 Ca -0.02 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3k2s h VAL 221 Cb 1.24 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3k2s h VAL 221 CO 0.03 0.28 0.00 0.18 0.02 0.00 0.00 177.57 178.08 3k2s n LEU 222 N -4.05 0.46 -0.51 2.57 4.77 0.97 -4.21 117.00 117.00 3k2s n LEU 222 Ca -0.02 0.59 0.42 0.00 -0.03 0.00 0.00 56.01 56.98 3k2s n LEU 222 Cb 0.34 -0.24 0.70 0.00 -2.33 0.00 0.00 43.42 41.90 3k2s n LEU 222 CO 0.37 -0.24 1.27 -0.33 -1.33 0.00 0.00 177.39 177.13 3k2s h GLU 223 N 0.00 0.00 0.00 3.23 4.39 -1.58 0.34 114.58 120.96 3k2s h GLU 223 Ca 0.00 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3k2s h GLU 223 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3k2s h GLU 223 CO 0.00 0.00 -0.46 0.66 -1.16 0.00 0.00 179.01 178.05 3k2s h SER 224 N 0.00 0.00 0.34 1.42 4.64 -1.78 -3.36 113.55 114.81 3k2s h SER 224 Ca 0.89 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.21 3k2s h SER 224 Cb 2.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.08 3k2s h SER 224 CO -0.40 0.46 0.00 2.19 -0.87 0.00 0.00 176.83 178.21 3k2s h PHE 225 N 0.00 0.00 -0.02 4.77 -0.00 -0.48 -1.52 116.94 119.69 3k2s h PHE 225 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3k2s h PHE 225 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 3k2s h PHE 225 CO 0.00 0.00 -0.16 1.17 -0.00 0.00 0.00 178.31 179.32 3k2s n LYS 226 N -2.93 1.78 0.00 6.09 3.00 -1.26 -4.41 118.16 120.44 3k2s n LYS 226 Ca -0.01 -1.48 0.00 0.00 -0.00 0.00 0.00 58.31 56.81 3k2s n LYS 226 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.76 3k2s n LYS 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3k2s n VAL 227 N 0.76 0.00 0.17 3.15 0.31 -0.76 -4.86 118.33 117.10 3k2s n VAL 227 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 3k2s n VAL 227 Cb 0.50 -0.29 0.30 0.00 -0.91 0.00 0.00 33.84 33.44 3k2s n VAL 227 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3k2s h SER 228 N 0.00 0.00 0.66 4.52 0.02 -1.62 -3.29 113.55 113.84 3k2s h SER 228 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k2s h SER 228 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k2s h SER 228 CO 0.00 0.45 -0.57 0.49 -1.14 0.00 0.00 176.83 176.06 3k2s n PHE 229 N -3.97 0.24 -0.25 3.45 3.01 -1.23 -4.66 117.46 114.05 3k2s n PHE 229 Ca -0.02 0.07 -0.06 0.00 1.01 0.00 0.00 57.45 58.46 3k2s n PHE 229 Cb 0.48 -0.44 0.05 0.00 -0.01 0.00 0.00 39.48 39.56 3k2s n PHE 229 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3k2s h LEU 230 N 0.00 0.83 -0.23 4.37 3.38 -1.77 -0.01 115.31 121.88 3k2s h LEU 230 Ca 0.00 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 3k2s h LEU 230 Cb 0.61 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3k2s h LEU 230 CO 0.00 0.65 -0.57 0.77 0.09 0.00 0.00 178.44 179.38 3k2s h SER 231 N 0.94 0.90 -0.40 -0.43 4.64 -1.87 -1.24 113.55 116.09 3k2s h SER 231 Ca 0.25 -0.56 0.08 0.00 -0.47 0.00 0.00 61.79 61.09 3k2s h SER 231 Cb -0.03 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.72 3k2s h SER 231 CO -0.05 1.30 -0.13 0.00 -0.87 0.00 0.00 176.83 177.09 3k2s h ALA 232 N 0.62 0.22 -0.40 5.18 0.00 -1.83 -2.90 119.26 120.15 3k2s h ALA 232 Ca -0.01 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3k2s h ALA 232 Cb 1.19 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 3k2s h ALA 232 CO 0.12 -0.48 0.12 1.28 0.00 0.00 0.00 179.25 180.29 3k2s n LEU 233 N -5.33 4.16 0.00 0.00 4.77 -0.03 -3.53 117.00 117.04 3k2s n LEU 233 Ca 0.02 -2.14 0.11 0.00 -0.03 0.00 0.00 56.01 53.97 3k2s n LEU 233 Cb 0.24 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 3k2s n LEU 233 CO 0.14 0.58 -0.47 1.21 -1.33 0.00 0.00 177.39 177.52 3k2s n GLU 234 N 0.09 0.46 -0.02 3.23 4.07 -0.47 -4.67 120.64 123.33 3k2s n GLU 234 Ca 0.22 -0.11 -0.01 0.00 -0.06 0.00 0.00 57.16 57.20 3k2s n GLU 234 Cb 0.91 -1.54 -0.00 0.00 -0.06 0.00 0.00 31.44 30.75 3k2s n GLU 234 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3k2s h GLU 235 N 0.00 0.00 0.00 5.31 4.22 -1.69 -3.49 114.58 118.93 3k2s h GLU 235 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3k2s h GLU 235 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3k2s h GLU 235 CO 0.00 0.00 0.00 0.66 -2.18 0.00 0.00 179.01 177.49 3k2s n TYR 236 N -3.18 0.00 0.08 0.92 4.02 -1.26 -4.80 117.16 112.94 3k2s n TYR 236 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3k2s n TYR 236 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3k2s n TYR 236 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3k2s n THR 237 N -0.09 0.64 -2.84 -0.72 -2.24 -1.26 -5.14 114.28 102.63 3k2s n THR 237 Ca 0.00 0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.64 3k2s n THR 237 Cb 0.00 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.09 3k2s n THR 237 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3k2s s LYS 238 N -1.88 4.41 0.00 -0.78 1.02 -1.26 -4.95 119.74 116.30 3k2s s LYS 238 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.18 3k2s s LYS 238 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 3k2s s LYS 238 CO 0.00 0.18 0.00 1.17 -0.92 0.00 0.00 175.35 175.78 3k2s n LYS 239 N 0.14 0.00 -1.35 1.68 4.81 -1.26 -5.17 118.16 117.01 3k2s n LYS 239 Ca 0.03 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.01 3k2s n LYS 239 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.53 3k2s n LYS 239 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3k2s n LEU 240 N 0.00 -1.12 -0.40 3.14 0.00 -1.26 -4.74 117.00 112.61 3k2s n LEU 240 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.10 3k2s n LEU 240 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.51 3k2s n LEU 240 CO 0.00 -2.81 0.00 0.59 0.00 0.00 0.00 177.39 175.17 3k2s n ASN 241 N 1.89 -0.54 -4.60 1.96 3.02 -1.26 -5.06 115.26 110.68 3k2s n ASN 241 Ca 0.17 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.20 3k2s n ASN 241 Cb 0.23 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3k2s n ASN 241 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3k2s n THR 242 N 0.42 0.01 -0.44 3.41 -1.04 -1.26 -5.25 114.28 110.13 3k2s n THR 242 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k2s n THR 242 Cb 0.00 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3k2s n THR 242 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10