#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cak s ARG 36 N 0.00 0.69 -0.17 0.11 1.81 -1.26 -4.28 118.95 115.85 3cak s ARG 36 Ca 0.00 -0.71 -0.03 0.00 -1.72 0.00 0.00 55.73 53.26 3cak s ARG 36 Cb 0.00 -0.60 -0.02 0.00 -0.45 0.00 0.00 34.95 33.88 3cak s ARG 36 CO 0.00 0.14 -0.05 0.42 -0.68 0.00 0.00 175.30 175.12 3cak s ILE 37 N -1.03 3.62 0.07 1.52 1.01 0.74 -4.42 121.20 122.71 3cak s ILE 37 Ca -0.03 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 3cak s ILE 37 Cb -0.08 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 3cak s ILE 37 CO 0.01 0.48 1.36 0.20 0.00 0.00 0.00 174.94 176.99 3cak s ASN 38 N 0.66 6.88 0.40 3.58 0.01 -1.26 -0.34 114.94 124.87 3cak s ASN 38 Ca -0.03 2.21 0.04 0.00 -0.71 0.00 0.00 52.86 54.37 3cak s ASN 38 Cb -0.15 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3cak s ASN 38 CO 0.02 -0.64 0.06 0.42 -1.51 0.00 0.00 177.10 175.45 3cak s THR 39 N 1.50 1.11 -1.14 1.60 -4.23 -0.37 -4.24 115.64 109.88 3cak s THR 39 Ca 0.63 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.32 3cak s THR 39 Cb -0.34 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.16 3cak s THR 39 CO 0.29 0.00 1.57 1.33 -0.54 0.00 0.00 174.62 177.26 3cak n VAL 40 N -0.92 0.67 -1.15 2.29 0.24 0.62 -1.36 118.33 118.72 3cak n VAL 40 Ca -0.07 0.17 0.04 0.00 -2.04 0.00 0.00 64.34 62.43 3cak n VAL 40 Cb 0.66 -0.86 0.23 0.00 -1.47 0.00 0.00 33.84 32.40 3cak n VAL 40 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3cak n ARG 41 N -1.43 2.48 0.00 7.34 1.74 -1.26 -4.75 116.66 120.79 3cak n ARG 41 Ca 0.06 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 3cak n ARG 41 Cb 0.19 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3cak n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cak n GLY 42 N -0.77 -3.25 3.77 -0.13 0.00 -0.46 -4.99 105.19 99.35 3cak n GLY 42 Ca 0.26 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3cak n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cak s PRO 43 N -0.65 4.35 0.21 1.61 0.02 -1.26 -1.23 135.00 138.04 3cak s PRO 43 Ca 0.00 2.22 0.09 0.00 0.02 0.00 0.00 61.00 63.33 3cak s PRO 43 Cb 0.00 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3cak s PRO 43 CO 0.00 -0.21 -0.17 0.96 -0.33 0.00 0.00 177.00 177.25 3cak s ILE 44 N -1.02 1.94 0.72 2.83 -4.36 0.54 -4.90 121.20 116.95 3cak s ILE 44 Ca 0.50 -2.18 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 3cak s ILE 44 Cb -0.40 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.29 3cak s ILE 44 CO 0.52 -0.48 1.10 0.42 0.24 0.00 0.00 174.94 176.74 3cak s THR 45 N -2.63 3.01 0.19 8.37 -4.23 -1.26 -0.19 115.64 118.91 3cak s THR 45 Ca 0.23 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 3cak s THR 45 Cb -0.03 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.62 3cak s THR 45 CO 0.09 -0.40 1.81 0.40 -0.54 0.00 0.00 174.62 175.98 3cak h ILE 46 N -0.72 1.21 -0.76 2.99 2.04 -1.97 -2.38 117.51 117.93 3cak h ILE 46 Ca -0.45 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 64.94 3cak h ILE 46 Cb 1.28 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3cak h ILE 46 CO 0.64 0.23 0.45 -1.28 0.00 0.00 0.00 178.15 178.19 3cak h SER 47 N 0.94 0.69 0.25 1.72 0.87 -1.95 -2.65 113.55 113.42 3cak h SER 47 Ca 0.24 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3cak h SER 47 Cb 0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3cak h SER 47 CO -0.04 0.45 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.13 3cak h GLU 48 N 0.83 0.00 -0.83 2.24 5.08 -1.81 -3.08 114.58 117.00 3cak h GLU 48 Ca 0.33 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3cak h GLU 48 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3cak h GLU 48 CO -0.17 0.24 0.55 0.00 -1.00 0.00 0.00 179.01 178.63 3cak h ALA 49 N 1.76 1.06 -0.48 3.43 0.00 -1.16 -3.47 119.26 120.39 3cak h ALA 49 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cak h ALA 49 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3cak h ALA 49 CO 0.03 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3cak n GLY 50 N -1.33 1.00 3.63 0.00 0.00 -1.17 -3.68 105.19 103.64 3cak n GLY 50 Ca 0.09 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 3cak n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cak n PHE 51 N 0.69 2.19 -4.37 1.61 -0.00 -1.26 -4.62 117.46 111.70 3cak n PHE 51 Ca 0.00 -0.09 -0.31 0.00 -0.00 0.00 0.00 57.45 57.05 3cak n PHE 51 Cb 0.00 -2.70 -0.16 0.00 -0.00 0.00 0.00 39.48 36.62 3cak n PHE 51 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3cak s THR 52 N 5.68 1.79 -0.31 -2.13 2.01 0.05 -1.05 115.64 121.68 3cak s THR 52 Ca 0.96 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.90 3cak s THR 52 Cb -0.57 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.33 3cak s THR 52 CO 0.45 0.50 0.94 -0.76 -0.69 0.00 0.00 174.62 175.05 3cak s LEU 53 N 1.10 4.02 0.00 4.42 1.43 -0.68 -4.81 118.68 124.16 3cak s LEU 53 Ca -0.02 0.90 0.26 0.00 -1.03 0.00 0.00 54.13 54.23 3cak s LEU 53 Cb -0.14 -3.32 0.67 0.00 0.03 0.00 0.00 46.19 43.43 3cak s LEU 53 CO -0.06 -0.74 1.52 0.35 0.23 0.00 0.00 176.35 177.65 3cak n THR 54 N 5.66 0.00 -3.39 5.49 -2.24 -1.25 -0.71 114.28 117.84 3cak n THR 54 Ca 0.08 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 3cak n THR 54 Cb 0.47 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.05 3cak n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3cak s HIS 55 N -2.56 -0.39 0.27 4.78 5.65 -1.26 -4.66 115.29 117.13 3cak s HIS 55 Ca 0.22 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 55.19 3cak s HIS 55 Cb 0.19 -0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 31.10 3cak s HIS 55 CO 0.55 -0.93 0.25 -1.21 -0.65 0.00 0.00 174.74 172.74 3cak s GLU 56 N 2.12 1.51 -0.07 2.88 0.41 -0.54 -1.54 118.70 123.47 3cak s GLU 56 Ca 0.11 -1.77 -0.04 0.00 -0.41 0.00 0.00 54.97 52.86 3cak s GLU 56 Cb -0.14 0.32 0.03 0.00 -1.78 0.00 0.00 34.13 32.56 3cak s GLU 56 CO -0.26 -0.55 0.16 -1.01 -0.49 0.00 0.00 175.26 173.12 3cak s HIS 57 N -3.76 -0.19 0.04 1.61 3.76 -0.35 -1.30 115.29 115.10 3cak s HIS 57 Ca 0.38 0.50 -0.23 0.00 -0.15 0.00 0.00 55.06 55.56 3cak s HIS 57 Cb 0.04 -0.01 -0.15 0.00 1.11 0.00 0.00 32.58 33.56 3cak s HIS 57 CO 0.19 -0.14 1.44 0.82 -0.85 0.00 0.00 174.74 176.19 3cak h ILE 58 N 5.60 1.27 -2.74 0.60 1.08 -1.95 -3.30 117.51 118.07 3cak h ILE 58 Ca -0.36 -0.86 -0.16 0.00 -0.39 0.00 0.00 64.86 63.09 3cak h ILE 58 Cb 1.16 1.68 -0.30 0.00 -3.07 0.00 0.00 36.82 36.30 3cak h ILE 58 CO 0.41 0.24 -0.45 0.00 -0.69 0.00 0.00 178.15 177.67 3cak s GLY 60 N 2.27 1.71 0.00 0.00 0.00 0.05 -4.71 107.32 106.64 3cak s GLY 60 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3cak s GLY 60 CO -0.10 1.54 0.00 -1.26 0.00 0.00 0.00 173.10 173.27 3cak n SER 61 N 6.28 0.48 -4.01 1.64 2.88 0.31 -0.46 113.62 120.76 3cak n SER 61 Ca -0.02 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.44 3cak n SER 61 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 3cak n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3cak s SER 62 N 1.14 0.32 0.02 -3.46 0.01 -1.21 -3.79 113.70 106.73 3cak s SER 62 Ca 0.00 -0.70 -0.37 0.00 1.31 0.00 0.00 55.95 56.19 3cak s SER 62 Cb 0.00 0.18 -0.17 0.00 0.21 0.00 0.00 66.02 66.24 3cak s SER 62 CO 0.00 -0.48 1.40 0.00 0.41 0.00 0.00 173.24 174.57 3cak n ALA 63 N 0.79 -0.93 -0.38 1.44 0.00 -1.22 -1.40 120.51 118.81 3cak n ALA 63 Ca -0.19 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3cak n ALA 63 Cb 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3cak n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cak n GLY 64 N 2.77 1.84 0.14 0.00 0.00 -1.26 -4.88 105.19 103.80 3cak n GLY 64 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3cak n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cak h PHE 65 N 0.00 0.68 -0.97 1.61 3.57 -1.58 -1.81 116.94 118.44 3cak h PHE 65 Ca 0.00 -0.42 0.08 0.00 3.53 0.00 0.00 57.97 61.16 3cak h PHE 65 Cb 0.00 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 3cak h PHE 65 CO 0.00 1.27 0.63 1.25 -2.23 0.00 0.00 178.31 179.22 3cak h LEU 66 N -0.09 0.96 0.00 0.59 5.85 -1.87 0.72 115.31 121.47 3cak h LEU 66 Ca -0.12 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.41 3cak h LEU 66 Cb 1.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 3cak h LEU 66 CO 0.15 0.58 -1.01 0.03 -0.34 0.00 0.00 178.44 177.86 3cak h ARG 67 N 1.07 0.00 0.02 1.25 3.08 -1.94 -2.82 114.38 115.04 3cak h ARG 67 Ca 0.44 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.28 3cak h ARG 67 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3cak h ARG 67 CO -0.19 0.97 -0.93 0.00 -1.07 0.00 0.00 179.97 178.75 3cak h ALA 68 N 1.01 0.44 -1.77 0.04 0.00 -0.81 -3.40 119.26 114.78 3cak h ALA 68 Ca -0.02 -0.75 -0.45 0.00 0.00 0.00 0.00 54.91 53.69 3cak h ALA 68 Cb 1.77 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 19.12 3cak h ALA 68 CO 0.13 0.94 -1.12 1.87 0.00 0.00 0.00 179.25 181.07 3cak n TRP 69 N -3.63 -0.15 0.24 0.00 -0.00 0.20 -4.95 117.44 109.16 3cak n TRP 69 Ca -0.04 -3.62 0.09 0.00 -0.00 0.00 0.00 57.50 53.93 3cak n TRP 69 Cb 0.84 -0.19 0.62 0.00 -0.00 0.00 0.00 31.31 32.58 3cak n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3cak h PRO 70 N 3.00 0.00 0.00 5.87 0.13 -1.68 -1.71 132.00 137.61 3cak h PRO 70 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3cak h PRO 70 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3cak h PRO 70 CO 0.46 0.16 0.00 0.93 -0.23 0.00 0.00 178.00 179.32 3cak h GLU 71 N 0.00 0.00 -0.75 0.86 3.07 -1.89 -0.42 114.58 115.45 3cak h GLU 71 Ca -0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 3cak h GLU 71 Cb 0.34 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 3cak h GLU 71 CO 0.02 0.00 0.52 0.35 -1.40 0.00 0.00 179.01 178.50 3cak h PHE 72 N 0.00 0.21 -0.53 4.33 3.57 -1.71 -1.03 116.94 121.77 3cak h PHE 72 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3cak h PHE 72 Cb 0.28 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3cak h PHE 72 CO 0.00 0.07 0.00 1.19 -2.23 0.00 0.00 178.31 177.34 3cak n PHE 73 N -4.40 1.74 0.00 0.41 3.72 -0.17 -4.96 117.46 113.81 3cak n PHE 73 Ca 0.15 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 3cak n PHE 73 Cb 0.70 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 3cak n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cak n GLY 74 N 0.54 2.08 3.67 1.37 0.00 -0.39 -4.28 105.19 108.16 3cak n GLY 74 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3cak n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cak s SER 75 N 0.00 -0.37 0.18 1.61 1.04 -1.22 -4.30 113.70 110.65 3cak s SER 75 Ca 0.00 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 3cak s SER 75 Cb 0.00 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.85 3cak s SER 75 CO 0.00 -1.11 1.83 -0.09 0.98 0.00 0.00 173.24 174.85 3cak h ARG 76 N 2.00 0.69 -0.85 4.02 2.43 -1.88 -1.87 114.38 118.93 3cak h ARG 76 Ca -0.25 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3cak h ARG 76 Cb 1.27 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 3cak h ARG 76 CO 0.29 0.46 0.50 -0.22 -1.51 0.00 0.00 179.97 179.49 3cak h LYS 77 N 0.71 0.83 -0.44 0.20 3.64 -1.95 -0.63 116.57 118.93 3cak h LYS 77 Ca 0.21 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3cak h LYS 77 Cb -0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3cak h LYS 77 CO -0.07 0.55 -0.01 0.00 -2.27 0.00 0.00 179.45 177.65 3cak h ALA 78 N 1.45 0.59 -0.06 5.00 0.00 -1.78 -0.91 119.26 123.54 3cak h ALA 78 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cak h ALA 78 Cb 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cak h ALA 78 CO -0.23 0.39 0.04 1.25 0.00 0.00 0.00 179.25 180.70 3cak h LEU 79 N 0.62 0.07 -0.41 0.00 5.85 -1.06 -1.02 115.31 119.37 3cak h LEU 79 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3cak h LEU 79 Cb 0.50 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3cak h LEU 79 CO 0.02 0.06 0.26 0.00 -0.34 0.00 0.00 178.44 178.44 3cak h ALA 80 N 1.02 0.51 -0.92 1.25 0.00 -0.97 -1.36 119.26 118.79 3cak h ALA 80 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cak h ALA 80 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3cak h ALA 80 CO -0.01 -0.05 0.58 0.93 0.00 0.00 0.00 179.25 180.70 3cak h GLU 81 N 0.53 1.23 -0.55 0.00 5.08 -0.98 0.47 114.58 120.36 3cak h GLU 81 Ca 0.15 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3cak h GLU 81 Cb -0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 3cak h GLU 81 CO -0.05 0.84 0.23 -0.22 -1.00 0.00 0.00 179.01 178.81 3cak h LYS 82 N 1.26 0.82 -0.56 2.33 3.64 -0.82 -1.33 116.57 121.91 3cak h LYS 82 Ca 0.33 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3cak h LYS 82 Cb -0.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3cak h LYS 82 CO -0.07 0.71 -0.05 0.00 -2.27 0.00 0.00 179.45 177.78 3cak h ALA 83 N 1.07 0.85 -0.30 5.00 0.00 -0.79 -1.61 119.26 123.48 3cak h ALA 83 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3cak h ALA 83 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3cak h ALA 83 CO -0.02 0.66 0.03 0.28 0.00 0.00 0.00 179.25 180.21 3cak h VAL 84 N 0.92 1.24 -0.71 0.00 2.07 -0.71 0.11 116.25 119.16 3cak h VAL 84 Ca 0.16 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3cak h VAL 84 Cb 0.60 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3cak h VAL 84 CO 0.04 0.28 0.41 0.03 0.02 0.00 0.00 177.57 178.34 3cak h ARG 85 N 0.32 0.74 -0.26 1.57 3.08 -1.07 0.25 114.38 119.01 3cak h ARG 85 Ca 0.09 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 3cak h ARG 85 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3cak h ARG 85 CO 0.01 0.49 -0.26 0.78 -1.07 0.00 0.00 179.97 179.92 3cak h GLY 86 N 0.76 0.68 1.40 0.04 0.00 -1.09 -1.90 103.07 102.97 3cak h GLY 86 Ca 0.31 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3cak h GLY 86 CO -0.17 0.63 -0.12 1.41 0.00 0.00 0.00 176.54 178.29 3cak h LEU 87 N 0.34 0.70 -0.73 3.11 3.38 -0.49 -0.31 115.31 121.31 3cak h LEU 87 Ca 0.04 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3cak h LEU 87 Cb 0.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3cak h LEU 87 CO 0.06 0.84 0.03 0.03 0.09 0.00 0.00 178.44 179.50 3cak h ARG 88 N 0.64 1.01 -0.42 1.13 3.08 -0.82 -0.68 114.38 118.32 3cak h ARG 88 Ca 0.11 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3cak h ARG 88 Cb 0.57 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3cak h ARG 88 CO 0.04 0.97 0.07 0.00 -1.07 0.00 0.00 179.97 179.98 3cak h ARG 89 N 0.93 0.69 -0.79 0.04 3.08 -0.99 -0.59 114.38 116.75 3cak h ARG 89 Ca 0.18 -0.18 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3cak h ARG 89 Cb 0.50 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 3cak h ARG 89 CO 0.02 0.73 0.46 0.00 -1.07 0.00 0.00 179.97 180.11 3cak h ALA 90 N 0.93 1.10 -0.40 0.04 0.00 -0.88 -2.22 119.26 117.84 3cak h ALA 90 Ca 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3cak h ALA 90 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3cak h ALA 90 CO 0.01 0.12 -0.05 -0.09 0.00 0.00 0.00 179.25 179.23 3cak h ARG 91 N 0.80 0.74 -0.33 0.00 2.43 -0.78 -0.98 114.38 116.25 3cak h ARG 91 Ca 0.37 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3cak h ARG 91 Cb 0.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3cak h ARG 91 CO -0.22 0.85 0.22 0.00 -1.51 0.00 0.00 179.97 179.32 3cak h ALA 92 N 0.86 2.01 -0.01 2.80 0.00 -0.89 -0.31 119.26 123.72 3cak h ALA 92 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cak h ALA 92 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cak h ALA 92 CO 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.14 3cak n ALA 93 N -2.54 2.72 0.00 0.00 0.00 -0.82 -4.90 120.51 114.97 3cak n ALA 93 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3cak n ALA 93 Cb 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3cak n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cak n GLY 94 N 1.19 1.47 3.76 0.00 0.00 -0.13 -4.77 105.19 106.71 3cak n GLY 94 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3cak n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 95 N -1.76 3.21 -0.00 1.61 1.01 -0.44 -4.50 120.40 119.54 3cak s VAL 95 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3cak s VAL 95 Cb 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3cak s VAL 95 CO 0.00 0.24 0.01 0.54 0.00 0.00 0.00 175.10 175.89 3cak n ARG 96 N 1.50 1.13 -3.82 2.72 5.12 -0.22 -4.08 116.66 119.00 3cak n ARG 96 Ca 0.01 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 3cak n ARG 96 Cb 0.43 -1.01 -0.12 0.00 -1.16 0.00 0.00 32.46 30.60 3cak n ARG 96 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3cak s THR 97 N -2.02 0.01 0.10 0.55 2.01 -0.83 -1.34 115.64 114.12 3cak s THR 97 Ca -0.00 -0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.04 3cak s THR 97 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3cak s THR 97 CO 0.02 -0.03 -0.25 0.27 -0.69 0.00 0.00 174.62 173.93 3cak s ILE 98 N -0.05 2.07 -0.37 1.82 -4.36 0.20 -1.68 121.20 118.84 3cak s ILE 98 Ca -0.01 -1.59 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 3cak s ILE 98 Cb -0.02 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.87 3cak s ILE 98 CO 0.00 0.12 0.24 -0.69 0.24 0.00 0.00 174.94 174.86 3cak s VAL 99 N -1.01 5.00 -0.53 8.37 1.01 0.11 -0.90 120.40 132.47 3cak s VAL 99 Ca 0.11 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3cak s VAL 99 Cb -0.10 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.63 3cak s VAL 99 CO 0.04 -0.15 0.94 -0.62 0.00 0.00 0.00 175.10 175.31 3cak s ASP 100 N 1.65 6.38 -0.14 3.32 -1.08 0.56 -1.47 116.67 125.89 3cak s ASP 100 Ca 0.05 -0.22 0.06 0.00 -0.52 0.00 0.00 52.55 51.91 3cak s ASP 100 Cb -0.18 -2.44 0.38 0.00 -1.46 0.00 0.00 42.92 39.22 3cak s ASP 100 CO 0.09 -1.18 1.19 1.33 0.52 0.00 0.00 175.17 177.12 3cak n VAL 101 N 6.26 1.52 -2.28 1.11 0.24 -0.42 -3.07 118.33 121.69 3cak n VAL 101 Ca 0.03 -0.74 -0.43 0.00 -2.04 0.00 0.00 64.34 61.17 3cak n VAL 101 Cb 0.48 -0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 32.34 3cak n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3cak s SER 102 N -0.31 6.87 0.76 -1.34 0.01 -1.26 -4.93 113.70 113.50 3cak s SER 102 Ca 0.27 1.94 -0.04 0.00 1.31 0.00 0.00 55.95 59.42 3cak s SER 102 Cb 0.21 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 64.03 3cak s SER 102 CO 0.07 -0.77 1.05 0.42 0.41 0.00 0.00 173.24 174.42 3cak s THR 103 N 3.25 2.14 0.23 1.44 -4.23 -1.26 -4.28 115.64 112.93 3cak s THR 103 Ca 0.62 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 3cak s THR 103 Cb -0.27 -2.69 0.29 0.00 1.34 0.00 0.00 72.50 71.17 3cak s THR 103 CO 0.22 0.00 1.44 0.33 -0.54 0.00 0.00 174.62 176.07 3cak n PHE 104 N -3.01 0.13 1.14 3.99 7.35 -1.26 -1.59 117.46 124.21 3cak n PHE 104 Ca 0.14 1.14 0.14 0.00 -0.76 0.00 0.00 57.45 58.11 3cak n PHE 104 Cb 0.60 -0.91 0.59 0.00 0.35 0.00 0.00 39.48 40.11 3cak n PHE 104 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3cak n ASP 105 N -5.42 0.14 -0.40 -2.13 5.75 -1.26 -0.91 116.55 112.32 3cak n ASP 105 Ca 0.11 0.11 0.10 0.00 -0.01 0.00 0.00 54.79 55.11 3cak n ASP 105 Cb 0.40 -0.28 0.43 0.00 -1.03 0.00 0.00 41.12 40.64 3cak n ASP 105 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3cak n ILE 106 N -1.38 0.15 -1.82 2.12 5.41 -0.62 -3.94 119.36 119.28 3cak n ILE 106 Ca 0.09 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.48 3cak n ILE 106 Cb 0.31 0.20 -0.02 0.00 -0.71 0.00 0.00 39.64 39.41 3cak n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cak n GLY 107 N 1.04 0.49 3.43 7.39 0.00 -0.09 -0.53 105.19 116.92 3cak n GLY 107 Ca 0.16 -0.47 -0.58 0.00 0.00 0.00 0.00 46.02 45.13 3cak n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cak n ARG 108 N -2.33 0.00 -3.89 1.61 0.63 -0.89 -4.71 116.66 107.09 3cak n ARG 108 Ca -0.12 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.51 3cak n ARG 108 Cb 0.50 -1.46 -0.14 0.00 0.45 0.00 0.00 32.46 31.81 3cak n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3cak s ASP 109 N 0.32 4.27 0.53 6.15 -1.08 -1.26 -4.88 116.67 120.73 3cak s ASP 109 Ca 0.90 -2.43 0.27 0.00 -0.52 0.00 0.00 52.55 50.77 3cak s ASP 109 Cb -1.26 -1.38 1.52 0.00 -1.46 0.00 0.00 42.92 40.34 3cak s ASP 109 CO 0.58 -0.32 2.11 -0.37 0.52 0.00 0.00 175.17 177.69 3cak h VAL 110 N 5.97 0.58 -0.75 1.11 -1.51 -1.97 -1.15 116.25 118.52 3cak h VAL 110 Ca -0.06 -0.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.97 3cak h VAL 110 Cb 0.96 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 3cak h VAL 110 CO 0.55 0.09 0.37 0.77 -1.23 0.00 0.00 177.57 178.13 3cak h SER 111 N 0.00 0.98 -0.35 4.19 4.64 -1.98 0.82 113.55 121.84 3cak h SER 111 Ca -0.00 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3cak h SER 111 Cb 0.25 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3cak h SER 111 CO 0.01 0.83 -0.09 0.25 -0.87 0.00 0.00 176.83 176.96 3cak h LEU 112 N 1.05 0.68 -0.18 5.97 5.85 -1.66 -1.63 115.31 125.39 3cak h LEU 112 Ca 0.26 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3cak h LEU 112 Cb 0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3cak h LEU 112 CO -0.03 0.89 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.78 3cak h LEU 113 N 0.46 -0.35 -0.98 2.25 4.07 -0.99 -1.02 115.31 118.76 3cak h LEU 113 Ca 0.09 0.08 0.09 0.00 0.08 0.00 0.00 57.88 58.21 3cak h LEU 113 Cb 0.59 0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 3cak h LEU 113 CO 0.04 -0.14 0.62 0.00 -1.08 0.00 0.00 178.44 177.87 3cak h ALA 114 N 1.05 1.40 -0.08 1.53 0.00 -0.65 0.02 119.26 122.53 3cak h ALA 114 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3cak h ALA 114 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cak h ALA 114 CO -0.24 0.32 0.01 1.49 0.00 0.00 0.00 179.25 180.83 3cak h GLU 115 N 1.06 0.13 -0.01 0.00 4.81 -0.57 -1.61 114.58 118.38 3cak h GLU 115 Ca 0.45 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.49 3cak h GLU 115 Cb 0.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3cak h GLU 115 CO -0.21 0.34 -0.70 -0.39 -0.73 0.00 0.00 179.01 177.32 3cak h VAL 116 N -0.11 1.48 -0.17 0.32 -1.51 -1.02 -1.87 116.25 113.38 3cak h VAL 116 Ca 0.02 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.15 3cak h VAL 116 Cb 0.28 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 3cak h VAL 116 CO 0.00 0.67 0.07 -1.28 -1.23 0.00 0.00 177.57 175.81 3cak h SER 117 N 0.04 0.22 0.01 4.19 0.87 -0.91 -0.75 113.55 117.22 3cak h SER 117 Ca -0.01 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3cak h SER 117 Cb 1.24 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 3cak h SER 117 CO 0.10 0.31 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.50 3cak h ARG 118 N 0.12 -0.20 -0.73 2.24 9.65 -1.23 -0.21 114.38 124.04 3cak h ARG 118 Ca 0.06 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 3cak h ARG 118 Cb 0.15 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 3cak h ARG 118 CO -0.01 -0.13 0.19 0.00 2.80 0.00 0.00 179.97 182.82 3cak h ALA 119 N 0.75 0.95 -0.00 2.80 0.00 -1.17 -2.68 119.26 119.91 3cak h ALA 119 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3cak h ALA 119 Cb 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3cak h ALA 119 CO -0.11 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.37 3cak n ALA 120 N -2.46 3.41 -3.74 0.00 0.00 -0.30 -4.97 120.51 112.45 3cak n ALA 120 Ca 0.06 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 3cak n ALA 120 Cb 0.25 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.59 3cak n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cak n ASP 121 N -1.44 -3.39 -4.09 0.00 2.03 -0.12 -4.69 116.55 104.85 3cak n ASP 121 Ca 0.06 -0.74 -0.27 0.00 0.52 0.00 0.00 54.79 54.36 3cak n ASP 121 Cb 0.34 -4.25 -0.17 0.00 -0.72 0.00 0.00 41.12 36.32 3cak n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3cak s VAL 122 N -3.45 1.43 0.32 5.18 1.01 -1.02 -5.01 120.40 118.85 3cak s VAL 122 Ca 0.34 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3cak s VAL 122 Cb -0.16 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 3cak s VAL 122 CO 0.80 0.42 1.41 -1.00 0.00 0.00 0.00 175.10 176.73 3cak s HIS 123 N 0.53 2.89 -0.13 5.22 3.76 -0.45 -4.52 115.29 122.59 3cak s HIS 123 Ca -0.15 1.20 -0.00 0.00 -0.15 0.00 0.00 55.06 55.95 3cak s HIS 123 Cb -0.16 -3.84 0.02 0.00 1.11 0.00 0.00 32.58 29.71 3cak s HIS 123 CO 0.05 -2.51 -0.11 0.42 -0.85 0.00 0.00 174.74 171.74 3cak s ILE 124 N -0.75 1.32 -0.10 0.60 1.01 -1.26 -0.63 121.20 121.39 3cak s ILE 124 Ca 0.54 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3cak s ILE 124 Cb -0.43 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3cak s ILE 124 CO 0.53 0.42 0.56 -0.69 0.00 0.00 0.00 174.94 175.76 3cak s VAL 125 N 1.58 5.14 0.34 2.92 1.01 -0.08 -0.28 120.40 131.04 3cak s VAL 125 Ca 0.05 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.17 3cak s VAL 125 Cb -0.13 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3cak s VAL 125 CO -0.09 0.30 0.53 0.00 0.00 0.00 0.00 175.10 175.84 3cak s ALA 126 N 0.71 3.74 0.11 5.51 0.00 -1.26 -0.32 121.76 130.25 3cak s ALA 126 Ca 0.30 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.39 3cak s ALA 126 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3cak s ALA 126 CO 0.13 -0.02 -0.21 0.00 0.00 0.00 0.00 175.76 175.67 3cak s ALA 127 N -2.29 2.59 0.00 0.00 0.00 -1.17 -0.99 121.76 119.89 3cak s ALA 127 Ca 0.40 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3cak s ALA 127 Cb -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3cak s ALA 127 CO 0.35 0.58 0.00 -2.37 0.00 0.00 0.00 175.76 174.32 3cak n THR 128 N 0.93 0.00 -0.81 0.00 5.66 -0.25 -4.70 114.28 115.11 3cak n THR 128 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 3cak n THR 128 Cb 0.53 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 3cak n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cak n GLY 129 N 5.00 -1.78 2.98 1.09 0.00 -1.26 -4.47 105.19 106.75 3cak n GLY 129 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 3cak n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cak s LEU 130 N 0.00 1.70 0.00 0.99 1.43 -1.26 -4.23 118.68 117.30 3cak s LEU 130 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3cak s LEU 130 Cb 0.00 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.55 3cak s LEU 130 CO 0.00 -0.09 0.00 1.87 0.23 0.00 0.00 176.35 178.36 3cak n TRP 131 N 2.74 0.00 -0.86 0.29 -0.00 -1.26 -3.26 117.44 115.09 3cak n TRP 131 Ca -0.14 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.42 3cak n TRP 131 Cb 0.59 0.00 0.40 0.00 -0.00 0.00 0.00 31.31 32.29 3cak n TRP 131 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 177.69 179.66 3cak n PHE 132 N 0.00 2.04 -2.37 5.87 1.16 -1.26 -4.35 117.46 118.55 3cak n PHE 132 Ca 0.00 -0.71 -0.23 0.00 -1.87 0.00 0.00 57.45 54.64 3cak n PHE 132 Cb 0.00 -0.50 0.01 0.00 -1.61 0.00 0.00 39.48 37.38 3cak n PHE 132 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3cak n ASP 133 N 0.63 4.27 -4.76 5.98 2.03 -1.26 -5.09 116.55 118.34 3cak n ASP 133 Ca 0.27 -3.53 -0.40 0.00 0.52 0.00 0.00 54.79 51.65 3cak n ASP 133 Cb 1.18 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 41.11 3cak n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3cak s PRO 134 N -3.53 4.53 0.92 -0.67 0.04 -1.26 -4.85 135.00 130.18 3cak s PRO 134 Ca 0.46 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 3cak s PRO 134 Cb 0.40 -3.11 0.18 0.00 0.04 0.00 0.00 34.50 32.01 3cak s PRO 134 CO -0.09 0.09 1.28 -1.25 0.04 0.00 0.00 177.00 177.07 3cak s PRO 135 N -1.61 0.89 0.26 0.56 0.04 -1.26 -4.69 135.00 129.19 3cak s PRO 135 Ca 0.47 -0.41 -0.03 0.00 0.04 0.00 0.00 61.00 61.06 3cak s PRO 135 Cb -0.33 -1.90 0.36 0.00 0.04 0.00 0.00 34.50 32.67 3cak s PRO 135 CO 0.43 -2.23 1.89 -0.07 0.04 0.00 0.00 177.00 177.06 3cak h LEU 136 N -1.47 1.07 -2.74 -3.56 3.38 -1.95 0.67 115.31 110.71 3cak h LEU 136 Ca -0.44 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3cak h LEU 136 Cb 1.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3cak h LEU 136 CO 0.42 0.71 -0.01 0.28 0.09 0.00 0.00 178.44 179.93 3cak h SER 137 N 1.23 0.00 0.01 -0.43 0.02 -1.99 -1.44 113.55 110.95 3cak h SER 137 Ca 0.41 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.04 3cak h SER 137 Cb 0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3cak h SER 137 CO -0.15 0.01 -1.76 0.23 -1.14 0.00 0.00 176.83 174.02 3cak n MET 138 N -3.30 0.60 0.33 3.45 2.81 -0.45 -4.51 117.12 116.05 3cak n MET 138 Ca -0.03 0.44 0.21 0.00 -1.81 0.00 0.00 57.70 56.52 3cak n MET 138 Cb 0.09 -1.66 1.12 0.00 -0.71 0.00 0.00 33.22 32.06 3cak n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cak h ARG 139 N -0.85 0.00 -0.01 0.03 3.08 -0.39 -1.42 114.38 114.81 3cak h ARG 139 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3cak h ARG 139 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3cak h ARG 139 CO -0.24 0.00 -0.05 1.28 -1.07 0.00 0.00 179.97 179.89 3cak n LEU 140 N -3.14 1.42 -4.87 3.04 7.99 -0.59 -4.95 117.00 115.90 3cak n LEU 140 Ca -0.02 -0.46 -0.31 0.00 -0.01 0.00 0.00 56.01 55.21 3cak n LEU 140 Cb 0.11 -0.03 -0.05 0.00 -0.11 0.00 0.00 43.42 43.34 3cak n LEU 140 CO 0.22 0.24 0.33 -0.13 -1.51 0.00 0.00 177.39 176.54 3cak s ARG 141 N -2.11 3.85 0.74 3.23 1.81 -0.54 -5.09 118.95 120.84 3cak s ARG 141 Ca 0.35 0.42 -0.07 0.00 -1.72 0.00 0.00 55.73 54.71 3cak s ARG 141 Cb 0.21 -2.52 0.08 0.00 -0.45 0.00 0.00 34.95 32.27 3cak s ARG 141 CO 0.37 0.17 1.05 -1.54 -0.68 0.00 0.00 175.30 174.68 3cak s SER 142 N -2.60 4.60 0.29 0.23 1.04 -1.26 -4.84 113.70 111.16 3cak s SER 142 Ca 0.50 0.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 3cak s SER 142 Cb -0.11 -0.96 0.41 0.00 0.10 0.00 0.00 66.02 65.46 3cak s SER 142 CO 0.23 -1.74 1.87 1.62 0.98 0.00 0.00 173.24 176.20 3cak h VAL 143 N -0.72 1.22 -0.44 5.02 3.04 -1.99 -0.24 116.25 122.15 3cak h VAL 143 Ca -0.44 -0.66 -0.06 0.00 -1.01 0.00 0.00 66.70 64.53 3cak h VAL 143 Cb 1.31 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 3cak h VAL 143 CO 0.57 0.27 0.03 -0.33 -1.01 0.00 0.00 177.57 177.10 3cak h GLU 144 N 0.91 0.75 -0.18 4.17 5.08 -1.95 -0.70 114.58 122.67 3cak h GLU 144 Ca 0.22 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3cak h GLU 144 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3cak h GLU 144 CO -0.02 0.80 0.09 0.93 -1.00 0.00 0.00 179.01 179.80 3cak h GLU 145 N 0.59 0.26 -0.99 2.33 5.08 -1.82 -1.46 114.58 118.57 3cak h GLU 145 Ca 0.13 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3cak h GLU 145 Cb 0.44 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3cak h GLU 145 CO 0.02 0.29 0.65 -0.07 -1.00 0.00 0.00 179.01 178.90 3cak h LEU 146 N 0.16 1.06 -0.54 1.33 3.38 -1.01 -0.90 115.31 118.79 3cak h LEU 146 Ca 0.06 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3cak h LEU 146 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3cak h LEU 146 CO -0.01 0.71 0.36 0.74 0.09 0.00 0.00 178.44 180.33 3cak h THR 147 N 1.22 1.14 -0.52 0.22 2.02 -0.85 -0.23 112.91 115.91 3cak h THR 147 Ca 0.41 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 67.38 3cak h THR 147 Cb 0.07 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 3cak h THR 147 CO -0.14 0.14 0.25 -0.61 0.37 0.00 0.00 175.52 175.53 3cak h GLN 148 N 0.73 0.48 -0.02 6.66 -0.00 -0.61 0.09 115.11 122.44 3cak h GLN 148 Ca 0.20 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 3cak h GLN 148 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.29 3cak h GLN 148 CO -0.04 0.31 0.01 0.35 0.00 0.00 0.00 178.83 179.46 3cak h PHE 149 N 0.49 0.03 -0.93 3.99 3.57 -0.80 0.47 116.94 123.76 3cak h PHE 149 Ca 0.23 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3cak h PHE 149 Cb 0.16 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3cak h PHE 149 CO -0.11 0.20 0.61 0.74 -2.23 0.00 0.00 178.31 177.52 3cak h PHE 150 N -0.15 1.17 -0.71 0.41 0.04 -0.93 -2.18 116.94 114.58 3cak h PHE 150 Ca 0.01 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 3cak h PHE 150 Cb 0.18 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3cak h PHE 150 CO -0.01 0.74 0.21 -0.07 -0.60 0.00 0.00 178.31 178.58 3cak h LEU 151 N 1.26 1.05 -0.13 1.54 3.38 -0.80 -2.28 115.31 119.33 3cak h LEU 151 Ca 0.34 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3cak h LEU 151 Cb -0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.31 3cak h LEU 151 CO -0.07 0.98 -0.03 -0.09 0.09 0.00 0.00 178.44 179.32 3cak h ARG 152 N 1.07 0.00 0.00 1.13 2.43 -0.43 0.30 114.38 118.88 3cak h ARG 152 Ca 0.23 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3cak h ARG 152 Cb 0.32 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3cak h ARG 152 CO -0.00 0.00 -0.24 0.93 -1.51 0.00 0.00 179.97 179.14 3cak h GLU 153 N 0.00 0.00 0.05 0.20 5.08 -1.15 0.16 114.58 118.92 3cak h GLU 153 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3cak h GLU 153 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3cak h GLU 153 CO -0.13 0.24 -0.48 0.82 -1.00 0.00 0.00 179.01 178.46 3cak h ILE 154 N 0.00 1.57 0.02 3.13 2.04 -1.00 0.13 117.51 123.40 3cak h ILE 154 Ca -0.00 -2.39 -0.34 0.00 1.00 0.00 0.00 64.86 63.13 3cak h ILE 154 Cb 0.46 3.17 -0.05 0.00 -0.74 0.00 0.00 36.82 39.66 3cak h ILE 154 CO 0.03 0.62 -2.01 0.00 0.00 0.00 0.00 178.15 176.79 3cak n GLN 155 N -4.39 0.67 -0.10 2.37 6.02 0.10 -4.41 117.38 117.65 3cak n GLN 155 Ca -0.14 0.20 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 3cak n GLN 155 Cb 0.64 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 3cak n GLN 155 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3cak n TYR 156 N -3.08 0.00 0.00 1.08 9.36 0.18 -5.05 117.16 119.65 3cak n TYR 156 Ca -0.27 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.95 3cak n TYR 156 Cb 1.07 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 3cak n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cak n GLY 157 N 1.64 3.34 3.70 2.98 0.00 0.32 -4.73 105.19 112.44 3cak n GLY 157 Ca -0.32 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 3cak n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cak s ILE 158 N -2.00 5.12 0.00 -0.61 1.01 0.67 -3.97 121.20 121.42 3cak s ILE 158 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3cak s ILE 158 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3cak s ILE 158 CO 0.00 0.24 0.00 -0.62 0.00 0.00 0.00 174.94 174.56 3cak n GLU 159 N 4.20 0.00 -0.89 2.79 1.02 -1.26 -1.62 120.64 124.87 3cak n GLU 159 Ca -0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.03 3cak n GLU 159 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.17 3cak n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cak n ASP 160 N 1.54 3.73 0.05 1.62 5.68 -1.26 -4.64 116.55 123.27 3cak n ASP 160 Ca 0.00 -3.43 0.11 0.00 -0.50 0.00 0.00 54.79 50.97 3cak n ASP 160 Cb 0.00 -0.70 0.05 0.00 -1.14 0.00 0.00 41.12 39.34 3cak n ASP 160 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3cak n THR 161 N -0.72 0.28 -0.83 2.12 -2.24 -0.64 -4.95 114.28 107.31 3cak n THR 161 Ca 0.39 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3cak n THR 161 Cb 1.25 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3cak n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cak n GLY 162 N 1.33 0.19 3.68 3.38 0.00 -1.26 -4.97 105.19 107.54 3cak n GLY 162 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3cak n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cak s ILE 163 N -1.50 4.79 -0.13 -0.61 1.01 -1.26 -4.78 121.20 118.72 3cak s ILE 163 Ca 0.00 1.95 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 3cak s ILE 163 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3cak s ILE 163 CO 0.00 -0.01 0.10 -0.13 0.00 0.00 0.00 174.94 174.90 3cak s ARG 164 N 2.19 3.55 0.45 2.79 0.52 -1.26 -0.24 118.95 126.94 3cak s ARG 164 Ca 0.46 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 55.18 3cak s ARG 164 Cb -0.17 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 32.07 3cak s ARG 164 CO 0.15 0.61 1.37 0.00 0.02 0.00 0.00 175.30 177.45 3cak s ALA 165 N -0.58 3.19 -0.58 2.13 0.00 0.03 -4.50 121.76 121.46 3cak s ALA 165 Ca 0.12 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.49 3cak s ALA 165 Cb -0.12 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 19.58 3cak s ALA 165 CO 0.02 -1.07 0.98 0.41 0.00 0.00 0.00 175.76 176.11 3cak n GLY 166 N 0.62 1.59 3.36 0.00 0.00 -0.16 -4.62 105.19 105.97 3cak n GLY 166 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3cak n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cak s ILE 167 N -0.83 0.04 0.51 -0.61 2.07 -1.18 -4.40 121.20 116.80 3cak s ILE 167 Ca 0.10 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3cak s ILE 167 Cb 0.06 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.66 3cak s ILE 167 CO 0.08 -0.20 0.11 -0.38 -1.91 0.00 0.00 174.94 172.64 3cak n ILE 168 N 0.28 0.00 0.00 2.00 5.41 -0.06 -1.09 119.36 125.90 3cak n ILE 168 Ca -0.18 -2.28 0.00 0.00 1.00 0.00 0.00 62.75 61.30 3cak n ILE 168 Cb 0.61 0.33 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 3cak n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3cak n VAL 170 N -1.38 0.00 -3.76 1.39 0.24 -0.37 0.10 118.33 114.55 3cak n VAL 170 Ca -0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 3cak n VAL 170 Cb 0.62 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 3cak n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cak s ALA 171 N -2.00 -0.79 0.12 2.33 0.00 -1.20 -0.04 121.76 120.17 3cak s ALA 171 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3cak s ALA 171 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3cak s ALA 171 CO 0.00 -0.18 -0.08 0.95 0.00 0.00 0.00 175.76 176.44 3cak s THR 172 N -0.21 0.93 -0.45 0.00 -4.23 -1.08 -4.85 115.64 105.75 3cak s THR 172 Ca -0.04 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3cak s THR 172 Cb -0.03 -1.73 0.19 0.00 1.34 0.00 0.00 72.50 72.27 3cak s THR 172 CO 0.01 -0.79 0.40 0.35 -0.54 0.00 0.00 174.62 174.05 3cak n THR 173 N -0.06 -0.70 -0.45 3.99 -2.24 -1.26 -3.78 114.28 109.78 3cak n THR 173 Ca -0.12 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 57.92 3cak n THR 173 Cb 0.60 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3cak n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cak n GLY 174 N 2.44 -1.73 3.63 3.38 0.00 -1.26 -4.95 105.19 106.70 3cak n GLY 174 Ca 0.27 -1.99 -0.47 0.00 0.00 0.00 0.00 46.02 43.83 3cak n GLY 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cak n LYS 175 N -0.00 1.63 -1.76 1.61 4.81 -1.26 -4.86 118.16 118.33 3cak n LYS 175 Ca 0.00 0.58 -0.41 0.00 -0.87 0.00 0.00 58.31 57.61 3cak n LYS 175 Cb 0.00 -2.18 -0.01 0.00 0.02 0.00 0.00 35.03 32.86 3cak n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cak n ALA 176 N 1.86 2.43 -1.26 3.14 0.00 -1.26 -5.01 120.51 120.41 3cak n ALA 176 Ca 0.14 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 3cak n ALA 176 Cb 0.28 -2.44 0.12 0.00 0.00 0.00 0.00 19.45 17.41 3cak n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cak s THR 177 N -0.64 2.96 0.27 0.00 -4.23 -1.26 -4.80 115.64 107.95 3cak s THR 177 Ca 0.58 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 61.41 3cak s THR 177 Cb -0.49 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 70.78 3cak s THR 177 CO 0.57 -0.41 1.77 -0.65 -0.54 0.00 0.00 174.62 175.36 3cak h PRO 178 N -1.34 0.67 -0.50 3.99 0.11 -2.00 -0.84 132.00 132.08 3cak h PRO 178 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3cak h PRO 178 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3cak h PRO 178 CO 0.54 0.44 0.05 0.35 -0.21 0.00 0.00 178.00 179.17 3cak h PHE 179 N 0.69 0.92 -0.29 0.65 3.57 -1.93 -2.60 116.94 117.94 3cak h PHE 179 Ca 0.49 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3cak h PHE 179 Cb 0.70 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3cak h PHE 179 CO -0.06 0.84 -0.00 1.96 -2.23 0.00 0.00 178.31 178.82 3cak h GLN 180 N 0.72 0.44 -0.59 1.11 4.20 -1.67 -0.57 115.11 118.75 3cak h GLN 180 Ca 0.15 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.83 3cak h GLN 180 Cb 0.44 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3cak h GLN 180 CO 0.02 0.47 0.31 0.93 -0.67 0.00 0.00 178.83 179.88 3cak h GLU 181 N 0.42 0.57 -0.79 1.46 5.08 -0.83 -0.25 114.58 120.25 3cak h GLU 181 Ca 0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3cak h GLU 181 Cb 0.29 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3cak h GLU 181 CO 0.01 0.38 0.48 -0.07 -1.00 0.00 0.00 179.01 178.80 3cak h LEU 182 N 0.59 0.95 -0.50 1.33 3.38 -0.98 -0.28 115.31 119.79 3cak h LEU 182 Ca 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3cak h LEU 182 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3cak h LEU 182 CO -0.17 0.73 0.27 0.58 0.09 0.00 0.00 178.44 179.94 3cak h VAL 183 N 1.08 1.17 -0.53 1.22 2.07 -0.44 0.55 116.25 121.38 3cak h VAL 183 Ca 0.28 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 3cak h VAL 183 Cb -0.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3cak h VAL 183 CO -0.05 0.19 -0.13 -0.07 0.02 0.00 0.00 177.57 177.53 3cak h LEU 184 N 0.66 1.02 -0.47 2.57 4.07 -0.81 0.22 115.31 122.57 3cak h LEU 184 Ca 0.18 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.70 3cak h LEU 184 Cb 0.06 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 3cak h LEU 184 CO -0.03 1.15 0.01 0.11 -1.08 0.00 0.00 178.44 178.60 3cak h LYS 185 N 0.89 0.83 -0.63 1.13 1.57 -0.89 -1.60 116.57 117.86 3cak h LYS 185 Ca 0.13 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 3cak h LYS 185 Cb 0.70 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3cak h LYS 185 CO 0.05 0.87 0.15 0.00 -0.57 0.00 0.00 179.45 179.95 3cak h ALA 186 N 0.93 0.83 -0.28 3.86 0.00 -0.70 -1.08 119.26 122.82 3cak h ALA 186 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3cak h ALA 186 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3cak h ALA 186 CO 0.02 0.55 0.11 0.00 0.00 0.00 0.00 179.25 179.93 3cak h ALA 187 N 1.05 0.32 -0.60 0.00 0.00 -0.87 0.10 119.26 119.26 3cak h ALA 187 Ca 0.20 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3cak h ALA 187 Cb 0.37 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3cak h ALA 187 CO 0.00 -0.29 0.36 0.00 0.00 0.00 0.00 179.25 179.32 3cak h ALA 188 N 1.17 0.78 -0.39 0.00 0.00 -0.96 -0.52 119.26 119.34 3cak h ALA 188 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3cak h ALA 188 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3cak h ALA 188 CO -0.12 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.25 3cak h ARG 189 N 0.71 0.67 -0.70 0.00 3.08 -0.85 0.20 114.38 117.49 3cak h ARG 189 Ca 0.25 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3cak h ARG 189 Cb 0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3cak h ARG 189 CO -0.11 0.75 0.44 0.00 -1.07 0.00 0.00 179.97 179.98 3cak h ALA 190 N 0.90 0.92 -0.57 0.04 0.00 -0.57 -1.14 119.26 118.84 3cak h ALA 190 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3cak h ALA 190 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3cak h ALA 190 CO 0.01 0.21 0.09 1.03 0.00 0.00 0.00 179.25 180.60 3cak h SER 191 N 0.85 0.91 0.39 0.00 0.87 -0.84 -2.08 113.55 113.64 3cak h SER 191 Ca 0.29 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3cak h SER 191 Cb 0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3cak h SER 191 CO -0.11 0.93 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.79 3cak h LEU 192 N 0.84 0.00 0.00 2.23 3.38 -0.27 0.13 115.31 121.62 3cak h LEU 192 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3cak h LEU 192 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3cak h LEU 192 CO 0.01 0.26 -0.52 0.00 0.09 0.00 0.00 178.44 178.28 3cak h ALA 193 N 1.74 0.68 0.00 1.53 0.00 -0.88 -3.41 119.26 118.91 3cak h ALA 193 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cak h ALA 193 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cak h ALA 193 CO 0.03 0.00 -0.55 0.25 0.00 0.00 0.00 179.25 178.99 3cak n THR 194 N -2.31 0.00 -0.57 0.00 -2.24 -0.81 -5.03 114.28 103.32 3cak n THR 194 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3cak n THR 194 Cb 0.46 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3cak n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cak n GLY 195 N 1.40 1.28 3.73 3.38 0.00 0.42 -4.64 105.19 110.77 3cak n GLY 195 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cak n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 196 N -3.35 4.02 0.79 1.61 1.01 -1.25 -1.99 120.40 121.24 3cak s VAL 196 Ca 0.00 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 3cak s VAL 196 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.36 3cak s VAL 196 CO 0.00 0.27 1.14 -2.16 0.00 0.00 0.00 175.10 174.35 3cak s PRO 197 N -0.17 2.12 -0.02 2.72 0.04 -1.26 -4.40 135.00 134.02 3cak s PRO 197 Ca 0.50 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.87 3cak s PRO 197 Cb -0.28 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 3cak s PRO 197 CO 0.33 -1.52 -0.11 0.08 0.04 0.00 0.00 177.00 175.82 3cak s VAL 198 N -3.42 3.36 0.02 -0.36 1.01 0.79 -0.89 120.40 120.92 3cak s VAL 198 Ca 0.61 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3cak s VAL 198 Cb -0.12 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3cak s VAL 198 CO 0.51 0.49 -0.08 0.28 0.00 0.00 0.00 175.10 176.30 3cak s THR 199 N -0.87 0.61 0.09 3.92 -1.32 0.11 -1.36 115.64 116.83 3cak s THR 199 Ca 0.14 -0.73 0.08 0.00 -1.21 0.00 0.00 61.69 59.98 3cak s THR 199 Cb -0.11 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.25 3cak s THR 199 CO 0.04 -0.10 -0.22 0.42 -2.21 0.00 0.00 174.62 172.55 3cak s THR 200 N -0.77 1.77 -0.09 5.08 -4.23 -0.60 -1.24 115.64 115.56 3cak s THR 200 Ca -0.03 -1.50 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 3cak s THR 200 Cb -0.06 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3cak s THR 200 CO 0.00 0.01 0.59 -2.28 -0.54 0.00 0.00 174.62 172.41 3cak s HIS 201 N -1.08 3.55 0.22 3.99 2.46 0.94 -1.90 115.29 123.48 3cak s HIS 201 Ca 0.07 1.08 0.11 0.00 0.47 0.00 0.00 55.06 56.80 3cak s HIS 201 Cb -0.10 -2.68 -0.05 0.00 -0.13 0.00 0.00 32.58 29.63 3cak s HIS 201 CO 0.04 0.14 -0.21 0.95 -2.47 0.00 0.00 174.74 173.19 3cak s THR 202 N 0.67 2.24 -0.82 0.89 -4.23 -1.24 -2.63 115.64 110.52 3cak s THR 202 Ca 0.32 -2.16 -0.18 0.00 -1.18 0.00 0.00 61.69 58.48 3cak s THR 202 Cb -0.17 -2.13 0.13 0.00 1.34 0.00 0.00 72.50 71.68 3cak s THR 202 CO 0.15 -0.30 0.97 0.00 -0.54 0.00 0.00 174.62 174.89 3cak s ALA 203 N -2.16 3.47 0.54 3.99 0.00 -1.25 -4.83 121.76 121.52 3cak s ALA 203 Ca 0.23 -2.65 0.21 0.00 0.00 0.00 0.00 51.96 49.75 3cak s ALA 203 Cb -0.06 -3.84 1.45 0.00 0.00 0.00 0.00 23.12 20.67 3cak s ALA 203 CO 0.11 -2.72 2.16 0.00 0.00 0.00 0.00 175.76 175.31 3cak h ALA 204 N 8.81 1.91 0.00 0.00 0.00 -1.90 0.17 119.26 128.25 3cak h ALA 204 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3cak h ALA 204 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3cak h ALA 204 CO 1.05 -0.08 -0.08 0.66 0.00 0.00 0.00 179.25 180.81 3cak h SER 205 N 0.00 0.00 -0.10 0.00 4.64 -1.93 0.12 113.55 116.29 3cak h SER 205 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3cak h SER 205 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3cak h SER 205 CO -0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3cak n GLN 206 N -3.56 1.79 -3.05 4.77 1.13 0.58 -4.94 117.38 114.10 3cak n GLN 206 Ca -0.02 -1.17 -0.20 0.00 -1.94 0.00 0.00 57.00 53.67 3cak n GLN 206 Cb 0.20 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.10 3cak n GLN 206 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3cak n ARG 207 N 0.40 -3.33 -0.34 -1.09 1.74 0.43 -4.85 116.66 109.62 3cak n ARG 207 Ca 0.18 0.59 0.30 0.00 -0.77 0.00 0.00 57.85 58.14 3cak n ARG 207 Cb 0.38 -5.29 0.64 0.00 -1.02 0.00 0.00 32.46 27.17 3cak n ARG 207 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3cak h ASP 208 N -0.77 0.22 -0.17 0.55 5.19 -1.78 -1.82 116.42 117.83 3cak h ASP 208 Ca -0.41 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.10 3cak h ASP 208 Cb 1.28 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 3cak h ASP 208 CO 0.49 0.02 0.14 1.23 -3.12 0.00 0.00 179.24 178.00 3cak h GLY 209 N 0.18 0.00 0.79 2.75 0.00 -1.90 -0.84 103.07 104.06 3cak h GLY 209 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.87 3cak h GLY 209 CO -0.17 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.09 3cak h GLU 210 N 0.00 0.41 -0.30 4.80 5.08 -1.70 -0.28 114.58 122.58 3cak h GLU 210 Ca 0.08 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 3cak h GLU 210 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3cak h GLU 210 CO -0.00 0.72 -0.43 0.37 -1.00 0.00 0.00 179.01 178.68 3cak h GLN 211 N 0.09 0.75 -0.13 2.33 4.15 -1.53 -1.62 115.11 119.13 3cak h GLN 211 Ca 0.04 -0.40 0.04 0.00 0.77 0.00 0.00 58.65 59.09 3cak h GLN 211 Cb 0.61 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 3cak h GLN 211 CO 0.03 1.03 -0.10 1.96 -1.93 0.00 0.00 178.83 179.82 3cak h GLN 212 N 0.60 -0.11 -0.61 1.69 4.20 -1.10 -1.10 115.11 118.68 3cak h GLN 212 Ca 0.04 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.85 3cak h GLN 212 Cb 0.98 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.72 3cak h GLN 212 CO 0.09 -0.07 0.25 0.00 -0.67 0.00 0.00 178.83 178.44 3cak h ALA 213 N 0.99 0.80 -0.41 3.87 0.00 -0.90 0.02 119.26 123.63 3cak h ALA 213 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3cak h ALA 213 Cb 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3cak h ALA 213 CO -0.20 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.06 3cak h ALA 214 N 1.40 0.50 -0.23 0.00 0.00 -0.88 -0.01 119.26 120.04 3cak h ALA 214 Ca 0.30 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3cak h ALA 214 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3cak h ALA 214 CO -0.28 -0.22 -0.03 0.82 0.00 0.00 0.00 179.25 179.55 3cak h ILE 215 N 0.34 1.27 -0.39 0.00 2.04 -0.60 -1.64 117.51 118.53 3cak h ILE 215 Ca 0.19 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3cak h ILE 215 Cb 0.15 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 3cak h ILE 215 CO -0.17 0.30 0.12 -0.26 0.00 0.00 0.00 178.15 178.14 3cak h PHE 216 N 0.18 0.22 -0.08 1.37 0.04 -0.87 -2.71 116.94 115.09 3cak h PHE 216 Ca 0.06 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 3cak h PHE 216 Cb 0.46 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3cak h PHE 216 CO 0.04 0.08 -0.38 0.93 -0.60 0.00 0.00 178.31 178.38 3cak h GLU 217 N 0.27 0.17 0.00 1.51 5.08 -0.94 -1.43 114.58 119.24 3cak h GLU 217 Ca 0.18 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3cak h GLU 217 Cb 0.18 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3cak h GLU 217 CO -0.20 0.53 -0.04 0.66 -1.00 0.00 0.00 179.01 178.97 3cak h SER 218 N 0.14 0.00 -0.00 1.42 4.64 -0.98 0.54 113.55 119.31 3cak h SER 218 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3cak h SER 218 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3cak h SER 218 CO 0.06 0.04 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.38 3cak n GLU 219 N -3.37 1.85 -1.15 4.77 -0.58 -0.79 -4.96 120.64 116.40 3cak n GLU 219 Ca -0.02 -1.33 -0.05 0.00 -0.42 0.00 0.00 57.16 55.34 3cak n GLU 219 Cb 0.16 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 3cak n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cak n GLY 220 N 1.27 0.77 3.73 0.62 0.00 0.18 -4.96 105.19 106.81 3cak n GLY 220 Ca 0.16 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3cak n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cak s LEU 221 N -1.14 4.40 0.10 0.99 2.96 -0.61 -4.98 118.68 120.41 3cak s LEU 221 Ca 0.00 2.41 -0.31 0.00 -0.22 0.00 0.00 54.13 56.01 3cak s LEU 221 Cb 0.00 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 3cak s LEU 221 CO 0.00 -0.57 1.35 -0.55 -1.32 0.00 0.00 176.35 175.26 3cak s SER 222 N 0.51 6.87 0.58 3.68 0.15 -1.26 -4.44 113.70 119.79 3cak s SER 222 Ca 0.59 2.27 0.28 0.00 0.70 0.00 0.00 55.95 59.78 3cak s SER 222 Cb -0.37 -2.58 1.57 0.00 -1.71 0.00 0.00 66.02 62.92 3cak s SER 222 CO 0.37 -0.62 2.04 -0.65 1.20 0.00 0.00 173.24 175.57 3cak h PRO 223 N 6.80 0.00 0.00 5.44 0.11 -1.85 0.04 132.00 142.55 3cak h PRO 223 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3cak h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cak h PRO 223 CO 0.85 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 3cak n SER 224 N -3.87 0.22 -0.97 -2.05 3.41 -1.21 -1.94 113.62 107.22 3cak n SER 224 Ca 0.04 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3cak n SER 224 Cb 0.44 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 64.00 3cak n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cak n ARG 225 N -1.79 3.08 -4.16 4.33 5.12 0.00 -4.67 116.66 118.57 3cak n ARG 225 Ca 0.00 -2.49 -0.22 0.00 -1.93 0.00 0.00 57.85 53.21 3cak n ARG 225 Cb 0.04 -1.58 -0.17 0.00 -1.16 0.00 0.00 32.46 29.60 3cak n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3cak s VAL 226 N -1.64 0.72 -0.21 1.55 1.01 -0.82 -0.15 120.40 120.85 3cak s VAL 226 Ca 0.36 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3cak s VAL 226 Cb 0.23 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 3cak s VAL 226 CO 0.17 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 3cak s ILE 228 N 1.22 4.53 0.72 0.00 -1.09 0.14 -1.56 121.20 125.16 3cak s ILE 228 Ca 0.03 0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 58.74 3cak s ILE 228 Cb -0.15 -4.43 0.06 0.00 -1.58 0.00 0.00 42.46 36.37 3cak s ILE 228 CO 0.01 -0.90 1.06 -0.83 -1.23 0.00 0.00 174.94 173.05 3cak s GLY 229 N 2.46 1.65 -1.16 6.18 0.00 -0.80 -0.58 107.32 115.07 3cak s GLY 229 Ca 0.31 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3cak s GLY 229 CO 0.21 -0.36 0.00 1.42 0.00 0.00 0.00 173.10 174.38 3cak n HIS 230 N -3.01 -1.18 0.46 1.90 8.25 -1.07 -3.73 115.22 116.84 3cak n HIS 230 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.66 3cak n HIS 230 Cb 0.60 -2.78 0.47 0.00 1.12 0.00 0.00 29.99 29.40 3cak n HIS 230 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3cak n SER 231 N -1.54 0.68 0.00 0.41 7.64 -0.38 -1.83 113.62 118.61 3cak n SER 231 Ca -0.15 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.51 3cak n SER 231 Cb 0.58 -0.80 0.78 0.00 -1.01 0.00 0.00 64.21 63.76 3cak n SER 231 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3cak n ASP 232 N -2.22 0.00 0.09 6.43 5.75 -1.26 -3.20 116.55 122.14 3cak n ASP 232 Ca 0.03 -0.72 0.12 0.00 -0.01 0.00 0.00 54.79 54.21 3cak n ASP 232 Cb 0.28 -0.05 0.45 0.00 -1.03 0.00 0.00 41.12 40.77 3cak n ASP 232 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cak n ASP 233 N -1.05 0.56 -4.75 -1.12 8.00 -0.76 -4.76 116.55 112.67 3cak n ASP 233 Ca 0.19 0.59 -0.26 0.00 0.71 0.00 0.00 54.79 56.02 3cak n ASP 233 Cb 0.11 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 3cak n ASP 233 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3cak s THR 234 N -3.15 4.22 -2.93 -3.53 -1.32 -1.19 -4.74 115.64 102.99 3cak s THR 234 Ca 0.08 -1.21 0.24 0.00 -1.21 0.00 0.00 61.69 59.59 3cak s THR 234 Cb 0.12 -3.15 0.23 0.00 -1.51 0.00 0.00 72.50 68.19 3cak s THR 234 CO 0.48 -0.12 1.30 0.47 -2.21 0.00 0.00 174.62 174.54 3cak n ASP 235 N -0.30 2.93 -4.56 8.08 8.00 -1.26 -4.89 116.55 124.55 3cak n ASP 235 Ca -0.09 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.09 3cak n ASP 235 Cb 0.55 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 3cak n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cak s ASP 236 N -1.96 6.02 0.43 -2.24 -1.08 -1.26 -4.84 116.67 111.74 3cak s ASP 236 Ca 0.29 -1.16 0.11 0.00 -0.52 0.00 0.00 52.55 51.28 3cak s ASP 236 Cb 0.20 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 40.02 3cak s ASP 236 CO 0.30 -1.95 2.00 0.25 0.52 0.00 0.00 175.17 176.29 3cak h LEU 237 N 14.58 0.18 -0.79 -1.34 5.85 -2.00 -2.78 115.31 129.01 3cak h LEU 237 Ca 0.16 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 3cak h LEU 237 Cb 1.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3cak h LEU 237 CO 1.35 0.27 -0.55 0.77 -0.34 0.00 0.00 178.44 179.94 3cak h SER 238 N 0.19 0.17 -0.19 1.25 4.64 -1.99 0.15 113.55 117.77 3cak h SER 238 Ca 0.04 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3cak h SER 238 Cb 0.23 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3cak h SER 238 CO 0.01 0.68 0.09 0.22 -0.87 0.00 0.00 176.83 176.97 3cak h TYR 239 N 0.12 0.17 -0.18 4.77 3.20 -1.91 -1.05 116.97 122.09 3cak h TYR 239 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3cak h TYR 239 Cb 1.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3cak h TYR 239 CO 0.01 0.10 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.55 3cak h LEU 240 N 0.20 0.32 -1.15 2.82 3.38 -1.39 -2.89 115.31 116.61 3cak h LEU 240 Ca 0.08 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3cak h LEU 240 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3cak h LEU 240 CO -0.06 0.57 0.33 0.71 0.09 0.00 0.00 178.44 180.09 3cak h THR 241 N 0.07 1.21 -0.56 0.22 1.35 -0.73 -0.49 112.91 113.97 3cak h THR 241 Ca 0.05 -0.57 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 3cak h THR 241 Cb 0.41 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.16 3cak h THR 241 CO 0.01 0.24 0.01 0.00 -0.25 0.00 0.00 175.52 175.54 3cak h ALA 242 N 1.44 0.96 -0.37 6.62 0.00 -1.15 0.14 119.26 126.90 3cak h ALA 242 Ca 0.23 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3cak h ALA 242 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3cak h ALA 242 CO -0.03 0.63 -0.27 -0.07 0.00 0.00 0.00 179.25 179.51 3cak h LEU 243 N 0.88 0.88 -0.89 0.00 3.38 -1.27 -2.96 115.31 115.33 3cak h LEU 243 Ca 0.16 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3cak h LEU 243 Cb 0.50 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3cak h LEU 243 CO 0.02 1.13 0.43 0.00 0.09 0.00 0.00 178.44 180.11 3cak h ALA 244 N 0.77 1.14 0.00 1.53 0.00 -0.67 -1.63 119.26 120.40 3cak h ALA 244 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3cak h ALA 244 Cb 0.84 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cak h ALA 244 CO 0.07 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 3cak h ALA 245 N 1.25 1.75 -0.00 0.00 0.00 -0.67 -0.38 119.26 121.20 3cak h ALA 245 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3cak h ALA 245 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3cak h ALA 245 CO -0.04 0.06 -0.06 0.54 0.00 0.00 0.00 179.25 179.75 3cak n ARG 246 N -4.23 0.97 -0.19 0.00 1.74 -0.65 -4.93 116.66 109.37 3cak n ARG 246 Ca -0.03 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3cak n ARG 246 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3cak n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cak n GLY 247 N 1.18 0.67 3.76 -0.13 0.00 -0.15 -4.74 105.19 105.78 3cak n GLY 247 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3cak n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cak s TYR 248 N -2.29 2.53 0.28 1.61 2.02 -0.97 -3.31 117.35 117.23 3cak s TYR 248 Ca 0.00 1.40 -0.24 0.00 -0.37 0.00 0.00 57.07 57.86 3cak s TYR 248 Cb 0.00 -3.71 -0.09 0.00 -0.40 0.00 0.00 41.96 37.76 3cak s TYR 248 CO 0.00 -2.47 0.86 -0.51 -1.57 0.00 0.00 175.55 171.87 3cak s LEU 249 N -3.09 4.36 -0.32 -1.29 1.02 -0.23 -4.44 118.68 114.69 3cak s LEU 249 Ca 0.66 1.69 -0.06 0.00 0.02 0.00 0.00 54.13 56.44 3cak s LEU 249 Cb -0.38 -3.83 0.03 0.00 0.02 0.00 0.00 46.19 42.03 3cak s LEU 249 CO 0.47 -0.02 0.08 -0.63 0.02 0.00 0.00 176.35 176.26 3cak s ILE 250 N -1.55 3.65 -0.85 -0.59 -1.09 0.79 -0.68 121.20 120.88 3cak s ILE 250 Ca 0.47 -1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 57.59 3cak s ILE 250 Cb -0.18 -3.03 0.07 0.00 -1.58 0.00 0.00 42.46 37.74 3cak s ILE 250 CO 0.23 -0.10 1.20 -0.83 -1.23 0.00 0.00 174.94 174.21 3cak s GLY 251 N 1.40 1.41 -1.20 6.18 0.00 0.25 -1.26 107.32 114.10 3cak s GLY 251 Ca -0.01 -2.13 -0.12 0.00 0.00 0.00 0.00 44.72 42.45 3cak s GLY 251 CO 0.02 2.33 1.40 1.04 0.00 0.00 0.00 173.10 177.89 3cak n LEU 252 N 8.01 5.39 -0.15 0.66 4.77 0.73 -1.25 117.00 135.16 3cak n LEU 252 Ca 0.15 -4.60 0.01 0.00 -0.03 0.00 0.00 56.01 51.54 3cak n LEU 252 Cb 0.49 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3cak n LEU 252 CO 0.62 0.91 0.47 -0.90 -1.33 0.00 0.00 177.39 177.16 3cak n ASP 253 N 4.84 1.97 -0.84 -1.43 5.68 -1.26 -2.41 116.55 123.10 3cak n ASP 253 Ca 0.34 -1.76 0.04 0.00 -0.50 0.00 0.00 54.79 52.91 3cak n ASP 253 Cb 0.41 -0.04 0.21 0.00 -1.14 0.00 0.00 41.12 40.56 3cak n ASP 253 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3cak n HIS 254 N -0.13 0.79 -0.14 2.11 8.25 -1.25 -1.50 115.22 123.35 3cak n HIS 254 Ca 0.03 -1.21 -0.04 0.00 -0.26 0.00 0.00 57.72 56.24 3cak n HIS 254 Cb 0.24 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 31.04 3cak n HIS 254 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3cak h ILE 255 N 1.15 0.83 -0.00 1.59 1.08 -1.78 -0.58 117.51 119.80 3cak h ILE 255 Ca 0.08 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3cak h ILE 255 Cb 1.43 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3cak h ILE 255 CO 0.24 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 176.94 3cak n PRO 256 N -5.03 1.11 -2.31 2.37 -0.04 -1.26 -4.19 135.00 125.64 3cak n PRO 256 Ca 0.03 -0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 3cak n PRO 256 Cb 0.18 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3cak n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3cak s HIS 257 N -2.00 2.10 -0.20 0.54 3.76 -0.23 -4.81 115.29 114.45 3cak s HIS 257 Ca 0.46 0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 55.66 3cak s HIS 257 Cb 0.22 -4.35 0.05 0.00 1.11 0.00 0.00 32.58 29.62 3cak s HIS 257 CO 0.36 -2.13 0.53 0.45 -0.85 0.00 0.00 174.74 173.11 3cak s SER 258 N 5.30 -0.58 -0.09 1.40 0.15 -1.25 -4.72 113.70 113.91 3cak s SER 258 Ca 0.54 1.09 0.19 0.00 0.70 0.00 0.00 55.95 58.47 3cak s SER 258 Cb -0.11 1.08 0.71 0.00 -1.71 0.00 0.00 66.02 65.99 3cak s SER 258 CO 0.23 -0.19 1.61 0.00 1.20 0.00 0.00 173.24 176.09 3cak n ALA 259 N 3.00 2.95 -1.68 5.45 0.00 0.11 -4.96 120.51 125.38 3cak n ALA 259 Ca -0.15 -1.56 -0.49 0.00 0.00 0.00 0.00 53.44 51.24 3cak n ALA 259 Cb 0.56 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 3cak n ALA 259 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cak n ILE 260 N 1.20 0.50 0.00 0.00 5.41 -1.26 -0.51 119.36 124.70 3cak n ILE 260 Ca 0.26 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3cak n ILE 260 Cb 0.84 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 3cak n ILE 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cak n GLY 261 N 4.29 2.06 2.68 7.39 0.00 -1.26 -4.85 105.19 115.50 3cak n GLY 261 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3cak n GLY 261 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3cak n LEU 262 N 0.00 1.25 0.07 0.99 -0.00 0.34 -4.93 117.00 114.72 3cak n LEU 262 Ca 0.00 -2.93 0.13 0.00 -0.00 0.00 0.00 56.01 53.22 3cak n LEU 262 Cb 0.00 0.40 0.61 0.00 -0.00 0.00 0.00 43.42 44.43 3cak n LEU 262 CO 0.00 1.04 1.15 -0.33 -0.00 0.00 0.00 177.39 179.24 3cak h GLU 263 N 2.30 0.12 -0.02 1.47 3.07 -1.75 -1.02 114.58 118.76 3cak h GLU 263 Ca -0.18 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3cak h GLU 263 Cb 1.34 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3cak h GLU 263 CO 0.14 0.08 0.00 -0.40 -1.40 0.00 0.00 179.01 177.43 3cak n ASP 264 N -4.46 0.36 -4.47 1.42 3.85 -1.26 -4.48 116.55 107.51 3cak n ASP 264 Ca 0.05 -1.29 -0.43 0.00 -0.71 0.00 0.00 54.79 52.41 3cak n ASP 264 Cb 0.35 -0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 40.07 3cak n ASP 264 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3cak s ASN 265 N -1.80 6.19 0.12 -1.12 3.84 -0.39 -4.94 114.94 116.84 3cak s ASN 265 Ca 0.38 -0.85 -0.19 0.00 0.21 0.00 0.00 52.86 52.42 3cak s ASN 265 Cb 0.18 -2.44 -0.05 0.00 -0.55 0.00 0.00 41.25 38.39 3cak s ASN 265 CO 0.30 -1.47 1.74 0.00 -2.79 0.00 0.00 177.10 174.87 3cak h ALA 266 N 9.60 0.34 -0.53 1.71 0.00 -1.85 0.44 119.26 128.96 3cak h ALA 266 Ca -0.28 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3cak h ALA 266 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3cak h ALA 266 CO 1.19 -0.15 0.02 0.66 0.00 0.00 0.00 179.25 180.96 3cak h SER 267 N 0.33 0.91 -0.29 0.00 4.64 -1.96 0.57 113.55 117.76 3cak h SER 267 Ca 0.09 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3cak h SER 267 Cb 0.03 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3cak h SER 267 CO -0.02 0.98 -0.04 0.00 -0.87 0.00 0.00 176.83 176.88 3cak h ALA 268 N 0.96 0.39 -0.49 5.18 0.00 -1.88 -1.67 119.26 121.75 3cak h ALA 268 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cak h ALA 268 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3cak h ALA 268 CO 0.02 0.18 0.30 1.03 0.00 0.00 0.00 179.25 180.78 3cak h SER 269 N 0.30 0.48 -0.75 0.00 0.87 -0.77 -0.02 113.55 113.66 3cak h SER 269 Ca 0.08 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3cak h SER 269 Cb 0.51 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3cak h SER 269 CO 0.02 0.34 0.48 0.00 -0.53 0.00 0.00 176.83 177.15 3cak h ALA 270 N 1.21 0.97 0.13 6.23 0.00 -0.76 -0.84 119.26 126.19 3cak h ALA 270 Ca 0.20 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 3cak h ALA 270 Cb 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.56 3cak h ALA 270 CO -0.08 0.30 -1.26 1.25 0.00 0.00 0.00 179.25 179.46 3cak h LEU 271 N 0.96 0.89 0.00 0.00 5.85 -0.97 -3.38 115.31 118.66 3cak h LEU 271 Ca 0.29 -0.83 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 3cak h LEU 271 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3cak h LEU 271 CO -0.09 1.62 -2.05 0.18 -0.34 0.00 0.00 178.44 177.77 3cak n LEU 272 N -3.79 0.00 -0.31 2.25 4.77 -0.05 -5.05 117.00 114.82 3cak n LEU 272 Ca -0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.88 3cak n LEU 272 Cb 0.99 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 3cak n LEU 272 CO 0.58 0.09 -0.08 0.61 -1.33 0.00 0.00 177.39 177.27 3cak n GLY 273 N 1.38 -1.77 0.28 -0.72 0.00 -0.33 -3.84 105.19 100.20 3cak n GLY 273 Ca -0.09 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.57 3cak n GLY 273 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cak n ILE 274 N -2.32 1.78 -3.08 -0.61 -5.35 -1.26 0.04 119.36 108.55 3cak n ILE 274 Ca -0.00 -1.90 -0.38 0.00 -0.27 0.00 0.00 62.75 60.20 3cak n ILE 274 Cb 0.14 -0.08 -0.06 0.00 -1.74 0.00 0.00 39.64 37.90 3cak n ILE 274 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3cak s ARG 275 N -2.45 4.38 0.77 6.28 0.52 -1.26 -4.74 118.95 122.45 3cak s ARG 275 Ca 0.29 0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 56.35 3cak s ARG 275 Cb 0.24 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.67 3cak s ARG 275 CO 0.05 0.51 1.08 -1.54 0.02 0.00 0.00 175.30 175.41 3cak s SER 276 N -1.36 4.71 0.33 0.23 1.04 -1.26 -4.60 113.70 112.79 3cak s SER 276 Ca 0.38 1.51 0.02 0.00 0.48 0.00 0.00 55.95 58.34 3cak s SER 276 Cb -0.20 -2.28 0.58 0.00 0.10 0.00 0.00 66.02 64.22 3cak s SER 276 CO 0.23 -1.86 1.92 4.11 0.98 0.00 0.00 173.24 178.62 3cak h TRP 277 N -1.01 0.71 -0.59 5.02 5.08 -1.87 -2.44 115.95 120.86 3cak h TRP 277 Ca -0.46 -0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.44 3cak h TRP 277 Cb 1.24 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 27.16 3cak h TRP 277 CO 0.53 0.55 0.18 1.96 -1.28 0.00 0.00 178.44 180.39 3cak h GLN 278 N 0.71 0.91 -0.39 0.12 7.50 -1.91 0.58 115.11 122.63 3cak h GLN 278 Ca 0.17 -0.20 0.02 0.00 0.50 0.00 0.00 58.65 59.14 3cak h GLN 278 Cb 0.14 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 3cak h GLN 278 CO -0.02 0.82 0.23 1.15 -1.50 0.00 0.00 178.83 179.51 3cak h THR 279 N 0.83 1.04 -0.29 -0.54 2.02 -1.88 -0.38 112.91 113.71 3cak h THR 279 Ca 0.19 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3cak h THR 279 Cb 0.29 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3cak h THR 279 CO -0.01 0.08 0.17 0.03 0.37 0.00 0.00 175.52 176.17 3cak h ARG 280 N 0.46 0.40 -0.26 6.66 3.08 -1.17 -2.84 114.38 120.71 3cak h ARG 280 Ca 0.15 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3cak h ARG 280 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3cak h ARG 280 CO -0.07 0.32 0.05 0.00 -1.07 0.00 0.00 179.97 179.20 3cak h ALA 281 N 1.06 1.60 0.00 0.04 0.00 -0.65 -2.06 119.26 119.24 3cak h ALA 281 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3cak h ALA 281 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3cak h ALA 281 CO -0.02 0.30 -0.03 -0.07 0.00 0.00 0.00 179.25 179.44 3cak h LEU 282 N 0.37 0.00 -1.62 0.00 3.38 -0.82 -0.05 115.31 116.58 3cak h LEU 282 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3cak h LEU 282 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3cak h LEU 282 CO -0.00 0.03 -0.21 -0.07 0.09 0.00 0.00 178.44 178.27 3cak h LEU 283 N 0.00 0.00 0.01 1.67 3.38 -1.36 -0.64 115.31 118.36 3cak h LEU 283 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cak h LEU 283 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3cak h LEU 283 CO 0.00 0.21 -0.00 0.40 0.09 0.00 0.00 178.44 179.14 3cak h ILE 284 N 0.00 1.10 -0.97 1.22 2.04 -1.11 -1.99 117.51 117.81 3cak h ILE 284 Ca -0.00 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3cak h ILE 284 Cb 0.43 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3cak h ILE 284 CO 0.03 0.08 0.64 0.50 0.00 0.00 0.00 178.15 179.40 3cak h LYS 285 N -0.14 1.28 -0.01 2.37 3.64 -1.50 -1.66 116.57 120.55 3cak h LYS 285 Ca -0.00 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3cak h LYS 285 Cb 0.14 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3cak h LYS 285 CO 0.00 0.84 -0.08 0.00 -2.27 0.00 0.00 179.45 177.95 3cak h ALA 286 N 1.40 -0.08 -0.65 5.00 0.00 -0.99 0.75 119.26 124.68 3cak h ALA 286 Ca 0.36 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3cak h ALA 286 Cb -0.15 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3cak h ALA 286 CO -0.08 -0.57 0.15 -0.07 0.00 0.00 0.00 179.25 178.69 3cak h LEU 287 N -0.13 0.98 -0.26 0.00 3.38 -1.20 -2.03 115.31 116.06 3cak h LEU 287 Ca 0.03 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3cak h LEU 287 Cb 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3cak h LEU 287 CO -0.09 0.95 0.10 0.40 0.09 0.00 0.00 178.44 179.89 3cak h ILE 288 N 0.99 0.94 -0.65 1.22 2.04 -0.91 -0.73 117.51 120.41 3cak h ILE 288 Ca 0.21 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 3cak h ILE 288 Cb 0.36 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3cak h ILE 288 CO 0.00 0.04 0.40 0.44 0.00 0.00 0.00 178.15 179.03 3cak h ASP 289 N 0.22 0.76 0.75 1.72 3.32 -0.40 -1.08 116.42 121.72 3cak h ASP 289 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3cak h ASP 289 Cb 0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3cak h ASP 289 CO -0.11 0.57 0.00 1.56 -1.72 0.00 0.00 179.24 179.54 3cak h GLN 290 N 0.88 0.00 0.00 3.56 1.08 -1.17 -3.46 115.11 116.00 3cak h GLN 290 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3cak h GLN 290 Cb -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3cak h GLN 290 CO -0.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.24 3cak n GLY 291 N -0.08 1.28 1.47 3.46 0.00 -0.41 -5.03 105.19 105.89 3cak n GLY 291 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3cak n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cak n TYR 292 N -1.20 1.65 -0.17 1.61 4.01 -0.31 -4.70 117.16 118.05 3cak n TYR 292 Ca 0.00 -1.69 0.17 0.00 -0.16 0.00 0.00 57.90 56.21 3cak n TYR 292 Cb 0.00 -0.62 0.52 0.00 -0.31 0.00 0.00 39.34 38.93 3cak n TYR 292 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cak h MET 293 N 1.01 0.37 0.00 -0.72 -0.00 -1.78 -0.54 114.93 113.26 3cak h MET 293 Ca 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 60.02 3cak h MET 293 Cb 1.99 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 33.51 3cak h MET 293 CO 0.59 0.24 0.00 1.63 -0.00 0.00 0.00 176.91 179.38 3cak n LYS 294 N -4.47 0.13 -0.00 -0.10 5.02 -1.26 -2.67 118.16 114.80 3cak n LYS 294 Ca 0.15 0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.87 3cak n LYS 294 Cb 0.58 -1.71 0.20 0.00 -0.02 0.00 0.00 35.03 34.07 3cak n LYS 294 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cak n GLN 295 N -1.94 2.17 -3.57 1.97 1.13 -0.21 -4.91 117.38 112.01 3cak n GLN 295 Ca 0.03 -1.70 -0.37 0.00 -1.94 0.00 0.00 57.00 53.03 3cak n GLN 295 Cb 0.25 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 3cak n GLN 295 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3cak s ILE 296 N -2.00 5.29 -0.07 5.09 1.01 -1.09 -0.15 121.20 129.29 3cak s ILE 296 Ca 0.30 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.54 3cak s ILE 296 Cb 0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3cak s ILE 296 CO 0.31 0.44 -0.18 -0.76 0.00 0.00 0.00 174.94 174.75 3cak s LEU 297 N 0.08 1.90 0.09 2.97 1.43 -0.39 -4.85 118.68 119.91 3cak s LEU 297 Ca 0.17 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3cak s LEU 297 Cb -0.13 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3cak s LEU 297 CO 0.05 0.13 -0.24 0.68 0.23 0.00 0.00 176.35 177.20 3cak s VAL 298 N 0.28 1.98 0.27 -1.59 -7.23 -1.26 -0.20 120.40 112.65 3cak s VAL 298 Ca -0.11 -1.51 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 3cak s VAL 298 Cb -0.15 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.12 3cak s VAL 298 CO 0.04 0.14 0.94 -0.55 -0.31 0.00 0.00 175.10 175.36 3cak s SER 299 N -1.67 0.00 -0.06 4.85 0.15 -1.01 -3.78 113.70 112.18 3cak s SER 299 Ca 0.10 -0.87 0.18 0.00 0.70 0.00 0.00 55.95 56.06 3cak s SER 299 Cb -0.10 0.65 -0.27 0.00 -1.71 0.00 0.00 66.02 64.59 3cak s SER 299 CO 0.04 -1.28 0.32 0.59 1.20 0.00 0.00 173.24 174.10 3cak n ASN 300 N -1.30 0.78 -3.95 5.45 3.02 -1.23 -3.65 115.26 114.38 3cak n ASN 300 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.20 3cak n ASN 300 Cb 0.60 1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 41.37 3cak n ASN 300 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3cak n ASP 301 N -2.26 -1.54 -4.89 6.41 2.03 -0.56 -4.48 116.55 111.25 3cak n ASP 301 Ca -0.09 -1.07 -0.21 0.00 0.52 0.00 0.00 54.79 53.93 3cak n ASP 301 Cb 0.62 -2.81 0.06 0.00 -0.72 0.00 0.00 41.12 38.28 3cak n ASP 301 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3cak s TRP 302 N -3.87 2.29 0.20 -0.67 -0.11 -1.26 -4.89 118.94 110.63 3cak s TRP 302 Ca 0.15 -0.21 -0.15 0.00 1.22 0.00 0.00 56.10 57.11 3cak s TRP 302 Cb -0.06 -2.73 0.01 0.00 -1.50 0.00 0.00 33.47 29.19 3cak s TRP 302 CO 0.90 -1.13 0.46 -0.51 -4.62 0.00 0.00 176.95 172.06 3cak s LEU 303 N -4.83 0.34 -0.00 5.86 1.02 -1.24 -1.21 118.68 118.62 3cak s LEU 303 Ca 0.60 -0.67 0.08 0.00 0.02 0.00 0.00 54.13 54.17 3cak s LEU 303 Cb -0.08 1.85 -0.09 0.00 0.02 0.00 0.00 46.19 47.89 3cak s LEU 303 CO 0.40 -1.04 0.34 0.49 0.02 0.00 0.00 176.35 176.56 3cak n PHE 304 N -0.32 0.00 -3.78 0.29 3.72 -0.04 -5.00 117.46 112.33 3cak n PHE 304 Ca -0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 3cak n PHE 304 Cb 0.62 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.08 3cak n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cak s GLY 305 N -1.78 -0.10 -0.29 1.37 0.00 -1.12 -4.85 107.32 100.55 3cak s GLY 305 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 3cak s GLY 305 CO 0.33 -0.11 0.58 -0.12 0.00 0.00 0.00 173.10 173.78 3cak s PHE 306 N -1.97 -1.39 0.00 1.90 2.19 -1.25 -0.77 117.98 116.69 3cak s PHE 306 Ca -0.09 1.84 0.00 0.00 0.33 0.00 0.00 56.93 59.01 3cak s PHE 306 Cb -0.03 0.58 0.00 0.00 -1.31 0.00 0.00 43.02 42.26 3cak s PHE 306 CO 0.00 -0.76 0.17 -1.13 1.83 0.00 0.00 175.22 175.32 3cak n SER 307 N 5.43 0.33 -0.81 6.13 3.41 0.40 -4.62 113.62 123.88 3cak n SER 307 Ca -0.06 -0.65 0.06 0.00 -0.26 0.00 0.00 58.87 57.97 3cak n SER 307 Cb 0.50 0.47 0.19 0.00 -0.26 0.00 0.00 64.21 65.11 3cak n SER 307 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cak n SER 308 N -0.47 2.35 0.00 4.04 3.41 -1.25 -4.90 113.62 116.79 3cak n SER 308 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3cak n SER 308 Cb 0.02 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3cak n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cak n TYR 309 N 0.69 0.00 -1.70 7.33 9.36 -1.26 -5.12 117.16 126.46 3cak n TYR 309 Ca 0.14 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.96 3cak n TYR 309 Cb 0.39 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.13 3cak n TYR 309 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3cak n VAL 310 N 0.00 3.16 -0.27 2.97 0.31 -1.26 -4.89 118.33 118.35 3cak n VAL 310 Ca 0.00 -0.50 0.07 0.00 -0.01 0.00 0.00 64.34 63.90 3cak n VAL 310 Cb 0.00 -1.51 0.21 0.00 -0.91 0.00 0.00 33.84 31.63 3cak n VAL 310 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3cak h THR 311 N 1.57 0.63 -0.54 2.52 2.02 -1.93 -2.28 112.91 114.91 3cak h THR 311 Ca -0.49 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.40 3cak h THR 311 Cb 1.31 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3cak h THR 311 CO 0.57 0.08 0.13 -0.46 0.37 0.00 0.00 175.52 176.21 3cak n ASN 312 N -5.00 4.23 -0.19 4.18 6.94 -1.26 -4.63 115.26 119.52 3cak n ASN 312 Ca 0.16 -3.25 0.11 0.00 -0.02 0.00 0.00 54.58 51.58 3cak n ASN 312 Cb 0.46 -0.67 0.41 0.00 -2.36 0.00 0.00 39.78 37.62 3cak n ASN 312 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3cak h ILE 313 N 2.21 0.90 -0.61 1.53 6.09 -1.71 -1.16 117.51 124.75 3cak h ILE 313 Ca 0.17 -0.21 0.04 0.00 -1.37 0.00 0.00 64.86 63.50 3cak h ILE 313 Cb 1.97 0.23 -0.05 0.00 0.47 0.00 0.00 36.82 39.44 3cak h ILE 313 CO 0.53 0.11 0.34 -0.03 -3.07 0.00 0.00 178.15 176.04 3cak h MET 314 N 0.62 0.64 -0.45 2.19 4.05 -1.82 -0.25 114.93 119.91 3cak h MET 314 Ca 0.36 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.73 3cak h MET 314 Cb 0.56 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3cak h MET 314 CO -0.13 0.42 0.22 -0.44 0.23 0.00 0.00 176.91 177.20 3cak h ASP 315 N 0.66 0.59 -0.60 1.39 3.32 -1.59 -0.62 116.42 119.57 3cak h ASP 315 Ca 0.26 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3cak h ASP 315 Cb 0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3cak h ASP 315 CO -0.15 0.56 0.38 0.58 -1.72 0.00 0.00 179.24 178.89 3cak h VAL 316 N 0.59 1.11 -0.77 -1.35 2.07 -1.17 -1.16 116.25 115.57 3cak h VAL 316 Ca 0.15 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3cak h VAL 316 Cb 0.12 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3cak h VAL 316 CO -0.02 0.14 0.35 0.24 0.02 0.00 0.00 177.57 178.30 3cak h MET 317 N 0.77 1.12 -0.16 1.57 2.86 -0.85 -1.39 114.93 118.85 3cak h MET 317 Ca 0.23 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3cak h MET 317 Cb -0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3cak h MET 317 CO -0.08 0.89 -0.12 -0.44 1.06 0.00 0.00 176.91 178.23 3cak h ASP 318 N 1.10 0.23 -0.27 1.22 3.32 -0.78 -0.29 116.42 120.95 3cak h ASP 318 Ca 0.26 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 3cak h ASP 318 Cb 0.15 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3cak h ASP 318 CO -0.03 0.38 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.58 3cak h ARG 319 N 0.24 0.74 -0.25 3.56 1.12 -0.59 -2.49 114.38 116.71 3cak h ARG 319 Ca 0.05 -0.28 -0.06 0.00 -1.11 0.00 0.00 59.98 58.58 3cak h ARG 319 Cb 0.36 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 3cak h ARG 319 CO 0.02 0.88 -0.07 0.28 -3.11 0.00 0.00 179.97 177.97 3cak h VAL 320 N 0.65 1.29 -2.59 0.20 2.07 -0.44 -3.41 116.25 114.01 3cak h VAL 320 Ca 0.10 -1.10 -0.59 0.00 0.82 0.00 0.00 66.70 65.93 3cak h VAL 320 Cb 0.69 1.50 -0.39 0.00 -1.52 0.00 0.00 31.29 31.57 3cak h VAL 320 CO 0.05 0.34 -0.86 0.21 0.02 0.00 0.00 177.57 177.33 3cak s ASN 321 N -6.10 2.54 0.65 0.57 2.47 -0.20 -4.97 114.94 109.90 3cak s ASN 321 Ca -0.13 -2.81 0.43 0.00 0.42 0.00 0.00 52.86 50.77 3cak s ASN 321 Cb 0.07 -0.63 2.28 0.00 -1.45 0.00 0.00 41.25 41.52 3cak s ASN 321 CO 0.76 -0.22 2.32 -0.65 -3.72 0.00 0.00 177.10 175.59 3cak h PRO 322 N 6.20 0.00 0.00 0.43 0.11 -1.69 -2.08 132.00 134.96 3cak h PRO 322 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3cak h PRO 322 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3cak h PRO 322 CO 0.39 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.74 3cak h ASP 323 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.48 116.42 112.27 3cak h ASP 323 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cak h ASP 323 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3cak h ASP 323 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3cak n GLY 324 N 0.84 3.40 0.12 2.75 0.00 -0.78 -1.08 105.19 110.44 3cak n GLY 324 Ca 0.04 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3cak n GLY 324 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cak n MET 325 N 14.00 0.18 0.00 1.61 2.81 -1.26 -2.08 117.12 132.38 3cak n MET 325 Ca 0.00 0.41 0.12 0.00 -1.81 0.00 0.00 57.70 56.42 3cak n MET 325 Cb 0.00 -1.85 0.71 0.00 -0.71 0.00 0.00 33.22 31.37 3cak n MET 325 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cak n ALA 326 N -1.76 2.64 -0.12 3.04 0.00 -0.24 -4.11 120.51 119.96 3cak n ALA 326 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3cak n ALA 326 Cb 0.22 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 3cak n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3cak h PHE 327 N 0.00 0.57 0.37 0.00 3.57 -1.48 -0.23 116.94 119.75 3cak h PHE 327 Ca 0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3cak h PHE 327 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3cak h PHE 327 CO 0.00 0.54 -0.45 0.82 -2.23 0.00 0.00 178.31 176.98 3cak h ILE 328 N 0.45 0.10 -0.53 1.41 1.08 -1.83 0.18 117.51 118.36 3cak h ILE 328 Ca 0.12 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.47 3cak h ILE 328 Cb 0.22 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 3cak h ILE 328 CO -0.01 0.00 -0.14 1.55 -0.69 0.00 0.00 178.15 178.86 3cak h PRO 329 N -0.86 1.03 0.05 2.37 0.13 -1.81 -1.64 132.00 131.27 3cak h PRO 329 Ca -0.03 -0.40 -0.23 0.00 -0.87 0.00 0.00 66.00 64.47 3cak h PRO 329 Cb 0.78 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3cak h PRO 329 CO -0.11 1.08 -1.04 -0.07 -0.23 0.00 0.00 178.00 177.63 3cak h LEU 330 N 0.90 0.31 0.00 1.56 3.38 -1.04 -3.39 115.31 117.04 3cak h LEU 330 Ca 0.13 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3cak h LEU 330 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3cak h LEU 330 CO 0.05 1.17 -1.29 0.54 0.09 0.00 0.00 178.44 179.00 3cak n ARG 331 N -3.57 0.12 -0.03 1.13 5.12 0.57 -4.62 116.66 115.38 3cak n ARG 331 Ca -0.05 0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.75 3cak n ARG 331 Cb 0.91 -0.88 -0.09 0.00 -1.16 0.00 0.00 32.46 31.25 3cak n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3cak h VAL 332 N -0.10 1.38 -0.19 1.55 2.07 -0.99 -2.24 116.25 117.73 3cak h VAL 332 Ca -0.12 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 3cak h VAL 332 Cb 1.14 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3cak h VAL 332 CO -0.05 0.54 -0.02 0.40 0.02 0.00 0.00 177.57 178.46 3cak h ILE 333 N 0.07 1.27 -0.78 4.57 2.04 -1.50 -0.81 117.51 122.37 3cak h ILE 333 Ca -0.03 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3cak h ILE 333 Cb 1.12 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3cak h ILE 333 CO 0.10 0.28 0.52 -0.65 0.00 0.00 0.00 178.15 178.40 3cak h PRO 334 N 0.09 0.99 -0.39 2.37 0.11 -1.77 -0.23 132.00 133.17 3cak h PRO 334 Ca 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3cak h PRO 334 Cb 0.43 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3cak h PRO 334 CO 0.01 0.65 0.25 0.35 -0.21 0.00 0.00 178.00 179.05 3cak h PHE 335 N 1.01 0.50 -0.29 0.65 3.57 -1.07 0.25 116.94 121.56 3cak h PHE 335 Ca 0.30 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 3cak h PHE 335 Cb -0.05 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 3cak h PHE 335 CO -0.00 0.33 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.82 3cak h LEU 336 N 0.52 0.94 -0.52 0.59 3.38 -0.79 -1.71 115.31 117.72 3cak h LEU 336 Ca 0.14 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.72 3cak h LEU 336 Cb -0.04 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.36 3cak h LEU 336 CO -0.03 1.28 0.05 0.03 0.09 0.00 0.00 178.44 179.86 3cak h ARG 337 N 0.66 0.16 -0.11 1.13 2.47 -0.86 -0.95 114.38 116.88 3cak h ARG 337 Ca 0.02 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 3cak h ARG 337 Cb 1.12 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 3cak h ARG 337 CO 0.12 0.11 -0.07 1.49 0.56 0.00 0.00 179.97 182.17 3cak h GLU 338 N 0.17 0.17 -0.05 0.04 4.22 -0.55 0.51 114.58 119.08 3cak h GLU 338 Ca 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3cak h GLU 338 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3cak h GLU 338 CO -0.40 0.25 0.00 1.63 -2.18 0.00 0.00 179.01 178.31 3cak n LYS 339 N -4.36 1.15 -0.27 1.92 4.76 -0.68 -4.89 118.16 115.78 3cak n LYS 339 Ca -0.01 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3cak n LYS 339 Cb 0.20 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 3cak n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cak n GLY 340 N 0.68 0.65 3.68 0.72 0.00 0.17 -5.05 105.19 106.04 3cak n GLY 340 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3cak n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cak s VAL 341 N -2.50 4.30 0.49 1.61 1.01 -0.44 -4.98 120.40 119.89 3cak s VAL 341 Ca 0.00 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.36 3cak s VAL 341 Cb 0.00 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 3cak s VAL 341 CO 0.00 -0.02 1.35 -2.84 0.00 0.00 0.00 175.10 173.59 3cak s PRO 342 N 2.35 3.49 0.34 2.72 0.02 -1.26 -4.06 135.00 138.60 3cak s PRO 342 Ca 0.55 2.22 0.09 0.00 0.02 0.00 0.00 61.00 63.88 3cak s PRO 342 Cb -0.24 -2.46 0.81 0.00 0.02 0.00 0.00 34.50 32.63 3cak s PRO 342 CO 0.21 -0.91 1.81 0.37 -0.33 0.00 0.00 177.00 178.15 3cak h GLN 343 N 1.96 0.68 -0.44 5.54 5.75 -1.95 -1.39 115.11 125.24 3cak h GLN 343 Ca -0.51 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 3cak h GLN 343 Cb 1.28 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3cak h GLN 343 CO 0.59 0.45 0.13 0.93 -2.65 0.00 0.00 178.83 178.28 3cak h GLU 344 N 0.70 0.65 -0.56 1.69 3.07 -1.99 0.58 114.58 118.71 3cak h GLU 344 Ca 0.53 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 59.19 3cak h GLU 344 Cb 0.91 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3cak h GLU 344 CO -0.30 0.58 -0.00 1.15 -1.40 0.00 0.00 179.01 179.04 3cak h THR 345 N 0.64 1.26 -0.25 1.13 2.02 -1.63 -1.44 112.91 114.64 3cak h THR 345 Ca 0.15 -1.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.09 3cak h THR 345 Cb 0.21 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3cak h THR 345 CO -0.01 0.40 -0.34 -0.07 0.37 0.00 0.00 175.52 175.88 3cak h LEU 346 N 0.87 0.56 -0.43 2.58 3.38 -0.97 -1.64 115.31 119.67 3cak h LEU 346 Ca 0.16 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3cak h LEU 346 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3cak h LEU 346 CO 0.03 0.86 -0.13 0.00 0.09 0.00 0.00 178.44 179.29 3cak h ALA 347 N 1.17 0.60 -0.84 1.53 0.00 -0.82 -0.78 119.26 120.12 3cak h ALA 347 Ca 0.05 -0.34 0.14 0.00 0.00 0.00 0.00 54.91 54.76 3cak h ALA 347 Cb 0.81 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3cak h ALA 347 CO 0.07 0.50 0.44 0.78 0.00 0.00 0.00 179.25 181.04 3cak h GLY 348 N 0.68 1.36 0.98 0.00 0.00 -1.02 0.24 103.07 105.31 3cak h GLY 348 Ca 0.11 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3cak h GLY 348 CO 0.05 -0.01 -0.43 -2.22 0.00 0.00 0.00 176.54 173.93 3cak h ILE 349 N 0.65 1.32 0.00 2.60 2.04 -1.00 0.97 117.51 124.08 3cak h ILE 349 Ca 0.45 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3cak h ILE 349 Cb 0.60 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3cak h ILE 349 CO -0.34 0.52 -0.86 0.35 0.00 0.00 0.00 178.15 177.82 3cak n THR 350 N -4.19 0.25 0.04 -0.27 -2.24 -0.32 -4.15 114.28 103.39 3cak n THR 350 Ca -0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3cak n THR 350 Cb 0.56 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3cak n THR 350 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3cak n VAL 351 N -2.03 1.03 -0.04 2.28 0.31 0.83 -0.77 118.33 119.95 3cak n VAL 351 Ca 0.02 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.57 3cak n VAL 351 Cb 0.44 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 3cak n VAL 351 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3cak h THR 352 N 0.00 1.27 -0.10 2.52 2.02 -1.36 -2.97 112.91 114.29 3cak h THR 352 Ca 0.00 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3cak h THR 352 Cb 0.15 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3cak h THR 352 CO 0.00 0.25 -0.01 0.78 0.37 0.00 0.00 175.52 176.91 3cak h ASN 353 N -0.09 -0.05 -0.98 4.18 2.35 -0.98 -2.13 115.58 117.88 3cak h ASN 353 Ca 0.03 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3cak h ASN 353 Cb 0.38 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 3cak h ASN 353 CO 0.01 -0.01 0.65 -0.65 -1.65 0.00 0.00 177.43 175.78 3cak h PRO 354 N 0.03 1.27 -0.56 0.81 0.11 -1.73 -0.20 132.00 131.72 3cak h PRO 354 Ca 0.05 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 3cak h PRO 354 Cb 0.06 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3cak h PRO 354 CO -0.09 0.84 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 3cak h ALA 355 N 1.37 0.76 -0.43 -0.75 0.00 -1.33 -0.64 119.26 118.24 3cak h ALA 355 Ca 0.37 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3cak h ALA 355 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3cak h ALA 355 CO -0.09 0.59 -0.02 -0.09 0.00 0.00 0.00 179.25 179.64 3cak h ARG 356 N 0.88 0.71 -0.20 0.00 2.43 -1.07 -1.22 114.38 115.91 3cak h ARG 356 Ca 0.16 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3cak h ARG 356 Cb 0.54 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3cak h ARG 356 CO 0.03 0.74 -0.17 0.35 -1.51 0.00 0.00 179.97 179.41 3cak h PHE 357 N 0.67 0.55 0.04 2.20 3.57 -0.72 -3.34 116.94 119.91 3cak h PHE 357 Ca 0.13 -0.16 -0.25 0.00 3.53 0.00 0.00 57.97 61.22 3cak h PHE 357 Cb 0.44 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3cak h PHE 357 CO 0.02 0.80 -1.24 -0.07 -2.23 0.00 0.00 178.31 175.60 3cak h LEU 358 N 0.14 0.14 -9.35 0.59 3.38 -0.98 -3.41 115.31 105.81 3cak h LEU 358 Ca 0.03 -0.17 -0.54 0.00 0.09 0.00 0.00 57.88 57.30 3cak h LEU 358 Cb 0.70 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3cak h LEU 358 CO 0.04 1.14 1.12 -0.55 0.09 0.00 0.00 178.44 180.28 3cak s SER 359 N -6.73 6.56 0.26 -0.43 0.15 -0.47 -4.72 113.70 108.31 3cak s SER 359 Ca -0.02 2.47 -0.31 0.00 0.70 0.00 0.00 55.95 58.79 3cak s SER 359 Cb 0.09 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.73 3cak s SER 359 CO 0.84 -0.97 1.56 -2.65 1.20 0.00 0.00 173.24 173.22 3cak n PRO 360 N 6.88 2.50 -3.58 5.44 -0.02 -1.26 -4.97 135.00 139.99 3cak n PRO 360 Ca 0.18 0.89 -0.05 0.00 -2.02 0.00 0.00 63.50 62.50 3cak n PRO 360 Cb 0.41 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.22 3cak n PRO 360 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3cak s THR 361 N 0.18 0.00 -0.70 3.45 -1.32 -0.84 -4.65 115.64 111.75 3cak s THR 361 Ca 0.67 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.38 3cak s THR 361 Cb -0.55 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.30 3cak s THR 361 CO 0.46 0.00 1.01 0.18 -2.21 0.00 0.00 174.62 174.06 3cak n LEU 362 N -0.06 0.64 -3.24 9.08 4.77 -1.26 -4.39 117.00 122.53 3cak n LEU 362 Ca -0.02 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.80 3cak n LEU 362 Cb 0.59 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3cak n LEU 362 CO 0.10 0.10 0.00 -0.60 -1.33 0.00 0.00 177.39 175.65 3cak s ARG 363 N -3.15 0.47 0.00 3.23 3.52 -1.26 -4.49 118.95 117.27 3cak s ARG 363 Ca 0.05 0.31 0.28 0.00 -0.13 0.00 0.00 55.73 56.24 3cak s ARG 363 Cb 0.15 -0.08 1.15 0.00 -1.56 0.00 0.00 34.95 34.62 3cak s ARG 363 CO 0.81 -1.03 1.80 0.00 -0.81 0.00 0.00 175.30 176.07