#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kga s VAL 48 N 0.00 3.31 0.21 1.59 1.01 -1.26 -5.11 120.40 120.16 3kga s VAL 48 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3kga s VAL 48 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3kga s VAL 48 CO 0.00 0.35 0.11 -0.54 0.00 0.00 0.00 175.10 175.02 3kga s LYS 49 N 1.45 2.72 0.42 2.72 1.02 -1.26 -5.11 119.74 121.70 3kga s LYS 49 Ca 0.05 -1.07 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 3kga s LYS 49 Cb -0.15 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 3kga s LYS 49 CO -0.03 0.43 0.94 -1.54 -0.92 0.00 0.00 175.35 174.22 3kga s SER 50 N -3.44 6.95 0.75 2.83 1.04 -1.26 -5.05 113.70 115.52 3kga s SER 50 Ca 0.31 1.67 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 3kga s SER 50 Cb -0.09 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.56 3kga s SER 50 CO 0.22 -0.34 1.11 -0.83 0.98 0.00 0.00 173.24 174.38 3kga s GLY 51 N -2.16 1.62 0.06 7.32 0.00 -1.26 -5.02 107.32 107.88 3kga s GLY 51 Ca 0.61 -0.67 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 3kga s GLY 51 CO 0.14 -0.23 1.01 -2.27 0.00 0.00 0.00 173.10 171.74 3kga s LEU 52 N -5.42 4.42 -0.39 0.66 2.96 -1.26 -5.01 118.68 114.65 3kga s LEU 52 Ca 0.60 1.78 0.03 0.00 -0.22 0.00 0.00 54.13 56.33 3kga s LEU 52 Cb -0.11 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.11 3kga s LEU 52 CO 0.48 -0.22 0.13 -1.58 -1.32 0.00 0.00 176.35 173.84 3kga s GLN 53 N 0.56 1.46 -0.02 1.98 2.00 -1.26 -5.08 119.66 119.30 3kga s GLN 53 Ca 0.51 -1.94 -0.30 0.00 -2.00 0.00 0.00 55.36 51.62 3kga s GLN 53 Cb -0.23 -2.96 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 3kga s GLN 53 CO 0.29 -1.01 1.27 0.42 -0.50 0.00 0.00 175.29 175.76 3kga s ILE 54 N 0.67 4.02 0.28 -2.34 1.01 -1.26 -4.69 121.20 118.89 3kga s ILE 54 Ca 0.13 1.39 -0.28 0.00 0.00 0.00 0.00 60.65 61.89 3kga s ILE 54 Cb -0.21 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3kga s ILE 54 CO -0.08 0.02 0.94 -0.54 0.00 0.00 0.00 174.94 175.27 3kga s LYS 55 N 2.07 4.72 -0.02 2.79 1.02 0.20 -4.87 119.74 125.63 3kga s LYS 55 Ca 0.59 1.40 0.17 0.00 0.02 0.00 0.00 55.97 58.14 3kga s LYS 55 Cb -0.28 -3.05 -0.25 0.00 -0.52 0.00 0.00 37.83 33.73 3kga s LYS 55 CO 0.25 0.41 0.37 1.63 -0.92 0.00 0.00 175.35 177.08 3kga n LYS 56 N 1.04 0.53 -0.86 1.68 4.76 -1.26 -0.94 118.16 123.11 3kga n LYS 56 Ca -0.00 -0.15 -0.32 0.00 -2.87 0.00 0.00 58.31 54.97 3kga n LYS 56 Cb 0.49 -1.39 0.15 0.00 -1.84 0.00 0.00 35.03 32.44 3kga n LYS 56 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kga s ASN 57 N -3.86 3.19 0.28 4.39 4.22 -1.26 -4.79 114.94 117.11 3kga s ASN 57 Ca -0.06 2.26 -0.30 0.00 -2.14 0.00 0.00 52.86 52.62 3kga s ASN 57 Cb 0.11 -2.58 -0.11 0.00 1.28 0.00 0.00 41.25 39.96 3kga s ASN 57 CO 0.68 -2.93 1.48 0.00 -2.04 0.00 0.00 177.10 174.29 3kga s ALA 58 N -2.46 3.64 0.29 3.54 0.00 -1.26 -4.84 121.76 120.67 3kga s ALA 58 Ca 0.69 1.42 0.04 0.00 0.00 0.00 0.00 51.96 54.11 3kga s ALA 58 Cb -0.25 -3.58 0.43 0.00 0.00 0.00 0.00 23.12 19.72 3kga s ALA 58 CO 0.55 -0.84 1.72 0.97 0.00 0.00 0.00 175.76 178.16 3kga h ILE 59 N 3.39 1.27 0.00 0.00 2.10 -1.95 -2.37 117.51 119.96 3kga h ILE 59 Ca -0.47 -1.33 0.00 0.00 1.08 0.00 0.00 64.86 64.14 3kga h ILE 59 Cb 1.22 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.40 3kga h ILE 59 CO 0.76 0.41 0.01 2.30 -1.08 0.00 0.00 178.15 180.55 3kga n ILE 60 N -4.10 1.85 0.20 2.19 -5.35 -1.26 0.88 119.36 113.77 3kga n ILE 60 Ca -0.01 0.53 0.06 0.00 -0.27 0.00 0.00 62.75 63.06 3kga n ILE 60 Cb 0.43 -1.53 0.40 0.00 -1.74 0.00 0.00 39.64 37.19 3kga n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3kga h ASP 61 N 0.00 0.00 0.00 7.28 5.19 -1.80 -3.37 116.42 123.72 3kga h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kga h ASP 61 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3kga h ASP 61 CO 0.00 0.34 -1.29 0.47 -3.12 0.00 0.00 179.24 175.64 3kga n ASP 62 N -3.66 3.15 -3.92 6.45 8.00 0.25 -4.95 116.55 121.87 3kga n ASP 62 Ca -0.01 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 3kga n ASP 62 Cb 0.45 1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 42.78 3kga n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kga s TYR 63 N -2.48 0.15 -0.20 1.24 1.51 -0.43 -1.54 117.35 115.60 3kga s TYR 63 Ca -0.02 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 3kga s TYR 63 Cb 0.05 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 3kga s TYR 63 CO 0.31 -0.27 0.51 0.21 -1.11 0.00 0.00 175.55 175.20 3kga s LYS 64 N -1.67 4.18 -0.24 -0.62 2.20 0.53 -4.28 119.74 119.84 3kga s LYS 64 Ca -0.13 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.81 3kga s LYS 64 Cb -0.07 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 3kga s LYS 64 CO -0.01 -0.15 0.06 0.08 -0.36 0.00 0.00 175.35 174.97 3kga s VAL 65 N 1.65 4.26 0.57 4.02 1.01 -1.26 -2.13 120.40 128.51 3kga s VAL 65 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3kga s VAL 65 Cb -0.15 -2.98 0.11 0.00 0.00 0.00 0.00 36.38 33.36 3kga s VAL 65 CO 0.09 0.36 0.78 0.35 0.00 0.00 0.00 175.10 176.68 3kga n THR 66 N 4.79 0.00 -0.11 3.92 -2.24 -1.09 -5.04 114.28 114.51 3kga n THR 66 Ca -0.16 -1.20 0.05 0.00 -2.27 0.00 0.00 64.05 60.47 3kga n THR 66 Cb 0.51 -1.02 0.14 0.00 -2.10 0.00 0.00 70.33 67.86 3kga n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kga n SER 67 N -2.95 2.79 -4.62 3.42 7.64 -1.26 -4.78 113.62 113.87 3kga n SER 67 Ca 0.13 -1.95 -0.42 0.00 1.01 0.00 0.00 58.87 57.64 3kga n SER 67 Cb 0.45 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3kga n SER 67 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kga s GLN 68 N -0.99 3.97 -0.72 1.43 -0.21 -1.26 -5.01 119.66 116.88 3kga s GLN 68 Ca 0.21 0.64 -0.20 0.00 0.02 0.00 0.00 55.36 56.02 3kga s GLN 68 Cb 0.11 -3.73 0.10 0.00 1.00 0.00 0.00 33.01 30.49 3kga s GLN 68 CO 0.15 -0.70 0.94 0.54 -2.12 0.00 0.00 175.29 174.09 3kga s VAL 69 N 3.03 4.59 -1.34 1.09 0.11 -1.26 -2.73 120.40 123.90 3kga s VAL 69 Ca 0.34 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 3kga s VAL 69 Cb -0.14 -4.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.05 3kga s VAL 69 CO 0.13 -1.38 0.35 0.18 -3.33 0.00 0.00 175.10 171.04 3kga n LEU 70 N 6.95 0.34 0.00 2.54 4.32 0.16 -4.79 117.00 126.52 3kga n LEU 70 Ca 0.03 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3kga n LEU 70 Cb 0.46 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 3kga n LEU 70 CO 0.58 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 3kga n GLY 71 N 0.17 3.47 2.73 -0.72 0.00 -1.20 -4.81 105.19 104.83 3kga n GLY 71 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3kga n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kga n LEU 72 N 0.00 5.29 0.00 0.99 4.77 -1.26 -1.77 117.00 125.02 3kga n LEU 72 Ca 0.00 -5.37 -0.15 0.00 -0.03 0.00 0.00 56.01 50.45 3kga n LEU 72 Cb 0.00 -0.66 0.15 0.00 -2.33 0.00 0.00 43.42 40.58 3kga n LEU 72 CO 0.00 2.21 0.17 0.61 -1.33 0.00 0.00 177.39 179.05 3kga n GLY 73 N -0.35 -2.49 0.41 -0.72 0.00 -1.25 -4.82 105.19 95.98 3kga n GLY 73 Ca 0.39 -0.81 0.23 0.00 0.00 0.00 0.00 46.02 45.83 3kga n GLY 73 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kga h ILE 74 N -2.76 0.53 0.00 -0.61 1.08 -1.99 -3.30 117.51 110.45 3kga h ILE 74 Ca -0.20 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3kga h ILE 74 Cb 0.67 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3kga h ILE 74 CO 0.12 0.07 0.00 -3.20 -0.69 0.00 0.00 178.15 174.45 3kga n ASN 75 N -4.59 0.00 0.00 1.72 4.05 -1.26 -5.11 115.26 110.06 3kga n ASN 75 Ca 0.25 -0.28 0.00 0.00 0.45 0.00 0.00 54.58 55.00 3kga n ASN 75 Cb 0.88 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.89 3kga n ASN 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kga n GLY 76 N 0.00 5.40 3.10 8.20 0.00 -1.24 -4.77 105.19 115.87 3kga n GLY 76 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 3kga n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kga s LYS 77 N 4.36 0.53 -0.14 1.61 -2.85 -1.20 -3.77 119.74 118.29 3kga s LYS 77 Ca 0.00 -0.66 -0.03 0.00 -1.00 0.00 0.00 55.97 54.28 3kga s LYS 77 Cb 0.00 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 3kga s LYS 77 CO 0.00 -0.13 -0.04 0.08 0.10 0.00 0.00 175.35 175.37 3kga s VAL 78 N -2.21 3.93 0.24 1.79 1.01 -0.73 -2.22 120.40 122.22 3kga s VAL 78 Ca -0.08 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 61.65 3kga s VAL 78 Cb -0.04 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3kga s VAL 78 CO -0.03 0.52 -0.20 -0.76 0.00 0.00 0.00 175.10 174.63 3kga s LEU 79 N 0.06 2.54 -0.11 3.92 1.43 -0.09 0.36 118.68 126.79 3kga s LEU 79 Ca 0.00 -0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 51.92 3kga s LEU 79 Cb -0.13 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3kga s LEU 79 CO 0.03 0.02 0.55 -1.58 0.23 0.00 0.00 176.35 175.61 3kga s GLN 80 N -3.29 4.36 0.16 1.70 0.74 -1.10 -1.08 119.66 121.15 3kga s GLN 80 Ca 0.26 0.59 -0.06 0.00 0.05 0.00 0.00 55.36 56.19 3kga s GLN 80 Cb -0.05 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 3kga s GLN 80 CO 0.12 0.10 0.22 0.96 -0.55 0.00 0.00 175.29 176.14 3kga s ILE 81 N 0.79 0.07 -0.01 -2.34 -4.36 -0.99 -2.67 121.20 111.68 3kga s ILE 81 Ca 0.30 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 59.15 3kga s ILE 81 Cb -0.16 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.60 3kga s ILE 81 CO 0.13 -0.32 -0.09 -0.36 0.24 0.00 0.00 174.94 174.54 3kga s PHE 82 N -4.00 0.83 -0.08 1.37 0.40 -0.91 -1.28 117.98 114.31 3kga s PHE 82 Ca 0.20 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.07 3kga s PHE 82 Cb 0.04 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 3kga s PHE 82 CO 0.01 -0.03 1.44 1.21 0.70 0.00 0.00 175.22 178.55 3kga s ASN 83 N -0.13 6.82 0.22 1.36 3.84 0.11 -0.34 114.94 126.82 3kga s ASN 83 Ca 0.02 1.99 -0.07 0.00 0.21 0.00 0.00 52.86 55.01 3kga s ASN 83 Cb -0.04 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.43 3kga s ASN 83 CO -0.00 -0.81 1.78 0.11 -2.79 0.00 0.00 177.10 175.39 3kga h LYS 84 N 8.61 0.58 0.00 0.43 1.57 -1.59 1.03 116.57 127.19 3kga h LYS 84 Ca -0.34 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.15 3kga h LYS 84 Cb 1.15 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3kga h LYS 84 CO 0.95 0.38 -1.43 0.07 -0.57 0.00 0.00 179.45 178.84 3kga h ARG 85 N 0.59 0.00 -0.00 3.15 0.11 -1.91 -3.37 114.38 112.95 3kga h ARG 85 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3kga h ARG 85 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3kga h ARG 85 CO -0.26 0.65 -0.76 0.25 0.10 0.00 0.00 179.97 179.95 3kga n THR 86 N -3.14 0.00 0.00 0.08 -2.24 -1.10 -4.98 114.28 102.90 3kga n THR 86 Ca -0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3kga n THR 86 Cb 1.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.25 3kga n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kga n GLN 87 N -1.30 0.00 -1.53 -0.78 1.13 0.35 -4.94 117.38 110.31 3kga n GLN 87 Ca 0.03 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.62 3kga n GLN 87 Cb 0.27 -2.56 -0.03 0.00 0.11 0.00 0.00 30.24 28.04 3kga n GLN 87 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kga n GLU 88 N -1.61 0.89 -3.07 -1.09 2.13 -1.26 -4.44 120.64 112.19 3kga n GLU 88 Ca 0.00 0.32 -0.36 0.00 0.66 0.00 0.00 57.16 57.78 3kga n GLU 88 Cb 0.00 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 3kga n GLU 88 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3kga s LYS 89 N -1.05 4.26 0.29 5.31 1.02 -1.26 -0.71 119.74 127.59 3kga s LYS 89 Ca 0.65 0.89 -0.04 0.00 0.02 0.00 0.00 55.97 57.49 3kga s LYS 89 Cb -0.82 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3kga s LYS 89 CO 0.57 0.36 0.39 -0.06 -0.92 0.00 0.00 175.35 175.69 3kga s PHE 90 N -1.58 0.94 0.20 3.18 0.08 -0.40 -4.35 117.98 116.04 3kga s PHE 90 Ca 0.45 -1.18 0.11 0.00 0.12 0.00 0.00 56.93 56.43 3kga s PHE 90 Cb -0.16 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 3kga s PHE 90 CO 0.21 -0.97 -0.20 0.00 -0.10 0.00 0.00 175.22 174.15 3kga s ALA 91 N -3.58 2.65 -0.10 5.36 0.00 -0.32 -2.35 121.76 123.42 3kga s ALA 91 Ca 0.31 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3kga s ALA 91 Cb 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3kga s ALA 91 CO 0.16 0.42 -0.10 -1.17 0.00 0.00 0.00 175.76 175.07 3kga s LEU 92 N -2.79 1.42 -0.23 0.00 2.96 -0.24 -0.27 118.68 119.54 3kga s LEU 92 Ca 0.23 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3kga s LEU 92 Cb -0.08 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 3kga s LEU 92 CO 0.12 -0.05 0.14 -0.75 -1.32 0.00 0.00 176.35 174.48 3kga s LYS 93 N 1.30 4.08 -0.20 1.98 2.20 -0.04 -0.92 119.74 128.14 3kga s LYS 93 Ca -0.02 -0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 3kga s LYS 93 Cb -0.14 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3kga s LYS 93 CO -0.04 0.13 0.10 -1.64 -0.36 0.00 0.00 175.35 173.53 3kga s MET 94 N 0.85 4.01 -0.04 4.03 -1.94 -0.94 -0.85 119.30 124.41 3kga s MET 94 Ca 0.07 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 3kga s MET 94 Cb -0.13 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.37 3kga s MET 94 CO 0.03 0.19 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.54 3kga s LEU 95 N 0.64 1.94 0.14 -0.03 1.43 -0.39 -3.23 118.68 119.18 3kga s LEU 95 Ca 0.05 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 3kga s LEU 95 Cb -0.13 -0.94 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 3kga s LEU 95 CO 0.01 0.16 1.37 -1.10 0.23 0.00 0.00 176.35 177.03 3kga s GLN 96 N -0.06 4.33 0.31 1.70 -0.21 -1.26 -0.46 119.66 124.01 3kga s GLN 96 Ca -0.01 2.08 -0.29 0.00 0.02 0.00 0.00 55.36 57.15 3kga s GLN 96 Cb -0.10 -3.23 -0.12 0.00 1.00 0.00 0.00 33.01 30.56 3kga s GLN 96 CO 0.01 -0.39 1.47 -3.47 -2.12 0.00 0.00 175.29 170.79 3kga n ASP 97 N 3.55 3.35 0.00 5.90 2.03 0.15 -4.68 116.55 126.85 3kga n ASP 97 Ca 0.10 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.58 3kga n ASP 97 Cb 0.42 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 3kga n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kga h PRO 99 N 0.00 0.78 -0.43 0.00 0.11 -1.99 0.65 132.00 131.12 3kga h PRO 99 Ca 0.00 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3kga h PRO 99 Cb 0.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3kga h PRO 99 CO 0.00 0.51 0.07 0.87 -0.21 0.00 0.00 178.00 179.25 3kga h LYS 100 N 0.80 0.71 -0.47 1.05 1.57 -1.95 -2.10 116.57 116.18 3kga h LYS 100 Ca 0.44 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3kga h LYS 100 Cb 0.48 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3kga h LYS 100 CO -0.28 0.74 -0.07 0.00 -0.57 0.00 0.00 179.45 179.26 3kga h ALA 101 N 0.94 1.00 -0.10 3.86 0.00 -1.33 -1.32 119.26 122.30 3kga h ALA 101 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kga h ALA 101 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kga h ALA 101 CO 0.01 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 3kga h ARG 102 N 0.75 0.17 -0.07 0.00 2.47 -0.83 -1.91 114.38 114.95 3kga h ARG 102 Ca 0.13 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.74 3kga h ARG 102 Cb 0.55 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3kga h ARG 102 CO 0.03 0.39 -0.19 -0.09 0.56 0.00 0.00 179.97 180.67 3kga h ARG 103 N 0.16 0.25 -0.24 0.04 2.43 -0.64 -2.11 114.38 114.28 3kga h ARG 103 Ca 0.03 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3kga h ARG 103 Cb 0.47 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3kga h ARG 103 CO 0.03 0.79 -0.17 1.49 -1.51 0.00 0.00 179.97 180.60 3kga h GLU 104 N -0.24 -0.16 -0.04 0.20 4.81 -1.11 -0.87 114.58 117.17 3kga h GLU 104 Ca -0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kga h GLU 104 Cb 0.80 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3kga h GLU 104 CO 0.04 -0.11 0.02 0.28 -0.73 0.00 0.00 179.01 178.52 3kga h VAL 105 N -0.16 1.06 -0.05 0.32 2.07 -1.41 0.82 116.25 118.89 3kga h VAL 105 Ca 0.14 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3kga h VAL 105 Cb 0.37 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3kga h VAL 105 CO -0.34 0.05 -0.13 -0.08 0.02 0.00 0.00 177.57 177.09 3kga h GLU 106 N -0.00 -0.19 -0.16 1.57 4.57 -1.22 0.43 114.58 119.58 3kga h GLU 106 Ca 0.01 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 3kga h GLU 106 Cb 0.06 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3kga h GLU 106 CO -0.00 -0.12 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.17 3kga h LEU 107 N -0.19 0.42 -0.98 1.64 3.38 -1.05 -1.71 115.31 116.82 3kga h LEU 107 Ca 0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3kga h LEU 107 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kga h LEU 107 CO -0.17 0.83 -0.09 -0.74 0.09 0.00 0.00 178.44 178.36 3kga h HIS 108 N 0.32 0.69 -0.62 1.13 2.76 -0.62 -2.56 115.15 116.25 3kga h HIS 108 Ca 0.02 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.00 3kga h HIS 108 Cb 0.94 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 3kga h HIS 108 CO 0.03 0.71 0.08 2.35 -1.30 0.00 0.00 177.93 179.80 3kga h TRP 109 N 0.59 1.12 -0.01 5.26 2.91 -0.16 -1.48 115.95 124.18 3kga h TRP 109 Ca 0.11 -0.16 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 3kga h TRP 109 Cb 0.50 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3kga h TRP 109 CO 0.02 0.96 -0.08 0.00 -1.03 0.00 0.00 178.44 178.31 3kga h ARG 110 N 0.95 0.01 -0.02 2.65 3.08 -1.06 -2.86 114.38 117.13 3kga h ARG 110 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kga h ARG 110 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3kga h ARG 110 CO 0.02 0.09 -0.25 0.00 -1.07 0.00 0.00 179.97 178.75 3kga n ALA 111 N -2.52 3.06 -0.29 0.04 0.00 -0.84 -4.58 120.51 115.38 3kga n ALA 111 Ca -0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 3kga n ALA 111 Cb 0.16 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 18.80 3kga n ALA 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kga h SER 112 N 2.73 0.80 0.51 0.00 0.87 -1.05 -2.90 113.55 114.51 3kga h SER 112 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kga h SER 112 Cb 0.73 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3kga h SER 112 CO 0.00 0.53 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 3kga n GLN 113 N -4.63 0.38 -1.88 2.24 1.13 -1.26 -4.40 117.38 108.97 3kga n GLN 113 Ca 0.10 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 3kga n GLN 113 Cb 0.13 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.95 3kga n GLN 113 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kga n PRO 115 N 5.56 0.14 -0.32 0.00 -0.02 -1.26 -1.60 135.00 137.50 3kga n PRO 115 Ca 0.16 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 3kga n PRO 115 Cb 0.40 -1.98 0.22 0.00 -0.02 0.00 0.00 33.50 32.12 3kga n PRO 115 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kga n HIS 116 N -2.27 0.76 -4.89 6.00 8.25 -1.26 -4.91 115.22 116.90 3kga n HIS 116 Ca -0.01 -0.62 -0.31 0.00 -0.26 0.00 0.00 57.72 56.51 3kga n HIS 116 Cb 0.04 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 3kga n HIS 116 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kga s ILE 117 N -1.63 2.68 0.24 1.59 1.01 -0.62 0.12 121.20 124.58 3kga s ILE 117 Ca 0.33 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 3kga s ILE 117 Cb 0.22 -2.06 -0.11 0.00 0.01 0.00 0.00 42.46 40.52 3kga s ILE 117 CO 0.16 0.47 1.61 0.54 0.00 0.00 0.00 174.94 177.72 3kga s VAL 118 N -0.79 2.23 0.14 2.92 0.11 -0.19 -4.76 120.40 120.06 3kga s VAL 118 Ca 0.12 0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 59.07 3kga s VAL 118 Cb -0.10 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 31.56 3kga s VAL 118 CO 0.02 0.02 0.89 -0.60 -3.33 0.00 0.00 175.10 172.11 3kga s ARG 119 N 0.30 4.69 -0.19 1.54 3.52 -1.26 -4.79 118.95 122.75 3kga s ARG 119 Ca 0.67 1.35 -0.21 0.00 -0.13 0.00 0.00 55.73 57.41 3kga s ARG 119 Cb -0.47 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3kga s ARG 119 CO 0.40 0.36 0.63 0.42 -0.81 0.00 0.00 175.30 176.30 3kga s ILE 120 N -0.51 5.02 -0.10 4.11 1.01 -1.26 -1.91 121.20 127.56 3kga s ILE 120 Ca 0.42 1.18 -0.17 0.00 0.00 0.00 0.00 60.65 62.08 3kga s ILE 120 Cb -0.24 -3.94 -0.27 0.00 0.01 0.00 0.00 42.46 38.02 3kga s ILE 120 CO 0.29 0.12 0.58 0.58 0.00 0.00 0.00 174.94 176.50 3kga h VAL 121 N 5.17 1.09 -2.10 2.92 2.07 -0.86 -3.49 116.25 121.06 3kga h VAL 121 Ca -0.32 -2.40 0.11 0.00 0.82 0.00 0.00 66.70 64.91 3kga h VAL 121 Cb 1.14 2.76 -0.17 0.00 -1.52 0.00 0.00 31.29 33.50 3kga h VAL 121 CO 0.77 0.68 0.51 -1.81 0.02 0.00 0.00 177.57 177.75 3kga s ASP 122 N -6.99 -0.36 -0.09 0.57 1.01 -1.20 -5.01 116.67 104.60 3kga s ASP 122 Ca -0.20 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.19 3kga s ASP 122 Cb 0.04 0.36 0.01 0.00 1.01 0.00 0.00 42.92 44.33 3kga s ASP 122 CO 0.76 -0.55 -0.19 -0.69 0.21 0.00 0.00 175.17 174.71 3kga s VAL 123 N -2.66 1.69 -0.04 -1.27 1.01 -1.26 -0.44 120.40 117.44 3kga s VAL 123 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3kga s VAL 123 Cb -0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3kga s VAL 123 CO -0.06 0.48 -0.01 -0.31 0.00 0.00 0.00 175.10 175.19 3kga s TYR 124 N 0.52 3.07 -0.27 5.22 1.51 0.11 -0.63 117.35 126.88 3kga s TYR 124 Ca -0.16 0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.93 3kga s TYR 124 Cb -0.17 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3kga s TYR 124 CO 0.06 0.44 0.07 -2.00 -1.11 0.00 0.00 175.55 173.01 3kga s GLU 125 N -1.25 3.41 0.10 -0.62 2.12 -0.11 0.35 118.70 122.71 3kga s GLU 125 Ca 0.17 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 3kga s GLU 125 Cb -0.11 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3kga s GLU 125 CO 0.06 -0.29 0.10 -0.80 -0.54 0.00 0.00 175.26 173.80 3kga s ASN 126 N 1.56 0.27 -0.18 -1.70 0.02 -0.82 -4.51 114.94 109.59 3kga s ASN 126 Ca 0.05 -0.94 -0.22 0.00 -1.02 0.00 0.00 52.86 50.74 3kga s ASN 126 Cb -0.16 0.30 -0.03 0.00 0.02 0.00 0.00 41.25 41.39 3kga s ASN 126 CO 0.03 -0.72 0.66 -0.22 0.02 0.00 0.00 177.10 176.87 3kga s LEU 127 N -2.94 4.17 -0.18 0.60 2.96 -1.26 -0.58 118.68 121.44 3kga s LEU 127 Ca 0.12 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3kga s LEU 127 Cb 0.06 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 43.83 3kga s LEU 127 CO -0.06 -0.26 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.11 3kga s TYR 128 N 1.78 2.44 -1.40 5.38 6.14 -0.10 -4.78 117.35 126.81 3kga s TYR 128 Ca 0.31 -1.53 -0.01 0.00 0.64 0.00 0.00 57.07 56.48 3kga s TYR 128 Cb -0.16 -1.68 0.00 0.00 0.42 0.00 0.00 41.96 40.54 3kga s TYR 128 CO 0.11 -0.74 0.41 0.00 0.64 0.00 0.00 175.55 175.98 3kga n ALA 129 N 4.69 -2.04 -0.79 3.97 0.00 -1.26 -2.00 120.51 123.07 3kga n ALA 129 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3kga n ALA 129 Cb 0.48 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3kga n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kga n GLY 130 N -2.00 1.17 3.19 0.00 0.00 -1.26 -5.01 105.19 101.28 3kga n GLY 130 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3kga n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kga s ARG 131 N -0.09 1.17 0.04 1.61 1.70 -0.85 -5.13 118.95 117.41 3kga s ARG 131 Ca 0.00 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 3kga s ARG 131 Cb 0.00 -1.22 -0.05 0.00 -0.57 0.00 0.00 34.95 33.10 3kga s ARG 131 CO 0.00 0.31 1.24 0.21 -1.08 0.00 0.00 175.30 175.98 3kga s LYS 132 N -1.07 4.40 0.05 3.89 2.20 -1.26 -0.92 119.74 127.03 3kga s LYS 132 Ca 0.05 1.80 0.04 0.00 -0.36 0.00 0.00 55.97 57.50 3kga s LYS 132 Cb -0.08 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3kga s LYS 132 CO 0.01 -0.33 -0.12 0.00 -0.36 0.00 0.00 175.35 174.55 3kga s LEU 134 N -1.44 4.04 -0.28 0.00 1.43 0.39 -1.94 118.68 120.88 3kga s LEU 134 Ca -0.03 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3kga s LEU 134 Cb -0.09 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3kga s LEU 134 CO 0.01 -0.17 0.04 -0.76 0.23 0.00 0.00 176.35 175.71 3kga s LEU 135 N 2.00 3.66 -0.28 1.79 1.02 0.16 -1.27 118.68 125.76 3kga s LEU 135 Ca 0.14 -0.74 -0.07 0.00 0.02 0.00 0.00 54.13 53.49 3kga s LEU 135 Cb -0.16 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.23 3kga s LEU 135 CO 0.10 -0.17 0.07 -0.63 0.02 0.00 0.00 176.35 175.74 3kga s ILE 136 N 1.45 3.97 -0.08 -0.59 1.01 -0.03 0.07 121.20 127.00 3kga s ILE 136 Ca 0.02 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 3kga s ILE 136 Cb -0.17 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3kga s ILE 136 CO 0.01 0.16 0.59 -0.69 0.00 0.00 0.00 174.94 175.00 3kga s VAL 137 N 1.52 5.10 0.09 2.92 1.01 0.42 -0.86 120.40 130.60 3kga s VAL 137 Ca 0.04 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.27 3kga s VAL 137 Cb -0.17 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3kga s VAL 137 CO 0.02 0.30 -0.15 -0.04 0.00 0.00 0.00 175.10 175.24 3kga s MET 138 N 0.62 0.92 0.45 2.72 -1.94 0.62 -0.11 119.30 122.58 3kga s MET 138 Ca 0.31 -1.08 -0.24 0.00 -1.71 0.00 0.00 55.69 52.98 3kga s MET 138 Cb -0.17 -0.89 -0.09 0.00 2.01 0.00 0.00 34.83 35.69 3kga s MET 138 CO 0.14 0.19 1.07 -0.85 -0.01 0.00 0.00 175.02 175.56 3kga n GLU 139 N 0.97 1.42 -2.79 2.03 0.28 -0.80 -1.17 120.64 120.57 3kga n GLU 139 Ca -0.19 0.51 -0.41 0.00 -0.16 0.00 0.00 57.16 56.91 3kga n GLU 139 Cb 0.55 -2.15 -0.04 0.00 1.43 0.00 0.00 31.44 31.23 3kga n GLU 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kga s LEU 141 N 0.51 4.40 0.31 0.00 1.43 -1.26 -4.82 118.68 119.26 3kga s LEU 141 Ca 0.47 -3.18 0.18 0.00 -1.03 0.00 0.00 54.13 50.57 3kga s LEU 141 Cb -0.21 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.50 3kga s LEU 141 CO 0.27 -0.20 1.45 0.44 0.23 0.00 0.00 176.35 178.53 3kga h ASP 142 N 6.28 0.00 0.00 2.29 3.32 -0.73 -3.40 116.42 124.18 3kga h ASP 142 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kga h ASP 142 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3kga h ASP 142 CO 0.69 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.16 3kga n GLY 143 N 1.20 -0.52 0.30 2.75 0.00 0.90 -4.62 105.19 105.20 3kga n GLY 143 Ca 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3kga n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kga n GLY 144 N 0.03 -1.86 3.81 -0.02 0.00 -1.26 -4.63 105.19 101.26 3kga n GLY 144 Ca 0.12 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3kga n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kga s GLU 145 N -1.92 3.74 0.20 1.61 2.02 -1.26 -1.28 118.70 121.80 3kga s GLU 145 Ca 0.00 1.26 -0.18 0.00 0.02 0.00 0.00 54.97 56.07 3kga s GLU 145 Cb 0.00 -2.09 0.17 0.00 0.10 0.00 0.00 34.13 32.31 3kga s GLU 145 CO 0.00 -0.47 1.40 -0.11 0.02 0.00 0.00 175.26 176.10 3kga n LEU 146 N -1.27 -0.65 0.16 1.80 7.94 0.54 -2.17 117.00 123.36 3kga n LEU 146 Ca 0.09 1.58 0.12 0.00 -1.11 0.00 0.00 56.01 56.68 3kga n LEU 146 Cb 0.53 -0.34 0.10 0.00 0.53 0.00 0.00 43.42 44.24 3kga n LEU 146 CO 0.42 -1.40 0.44 -0.26 -1.11 0.00 0.00 177.39 175.48 3kga h PHE 147 N 0.00 0.00 -0.20 1.96 0.04 -1.88 -3.17 116.94 113.69 3kga h PHE 147 Ca 0.29 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 3kga h PHE 147 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3kga h PHE 147 CO -0.81 0.00 0.07 0.77 -0.60 0.00 0.00 178.31 177.73 3kga h SER 148 N 0.00 0.30 -0.14 2.17 0.02 -1.83 0.17 113.55 114.25 3kga h SER 148 Ca 0.00 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3kga h SER 148 Cb 0.99 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 3kga h SER 148 CO 0.00 0.42 -0.29 -0.09 -1.14 0.00 0.00 176.83 175.73 3kga h ARG 149 N 0.16 -0.35 -0.61 3.45 2.43 -1.50 -1.41 114.38 116.54 3kga h ARG 149 Ca 0.07 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3kga h ARG 149 Cb 0.23 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3kga h ARG 149 CO -0.00 -0.23 0.20 0.82 -1.51 0.00 0.00 179.97 179.25 3kga h ILE 150 N -0.36 1.23 0.00 1.20 2.04 -1.51 -1.72 117.51 118.38 3kga h ILE 150 Ca 0.10 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3kga h ILE 150 Cb 0.52 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3kga h ILE 150 CO -0.34 0.30 -0.06 -0.61 0.00 0.00 0.00 178.15 177.44 3kga h GLN 151 N 0.90 0.00 -0.15 2.37 4.15 -0.07 -2.88 115.11 119.42 3kga h GLN 151 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3kga h GLN 151 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3kga h GLN 151 CO -0.01 0.06 0.00 -0.25 -1.93 0.00 0.00 178.83 176.69 3kga n ASP 152 N -4.02 2.64 -4.65 -0.69 8.00 -0.58 -4.63 116.55 112.62 3kga n ASP 152 Ca -0.03 -1.86 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 3kga n ASP 152 Cb 0.14 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3kga n ASP 152 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kga s ARG 153 N -1.83 3.95 0.23 -1.24 0.52 -1.09 -4.84 118.95 114.65 3kga s ARG 153 Ca 0.34 2.37 -0.06 0.00 -0.52 0.00 0.00 55.73 57.85 3kga s ARG 153 Cb 0.21 -4.16 0.40 0.00 0.52 0.00 0.00 34.95 31.92 3kga s ARG 153 CO 0.31 -1.16 1.72 0.78 0.02 0.00 0.00 175.30 176.96 3kga h GLY 154 N 11.40 1.00 2.00 -3.53 0.00 -1.92 -2.21 103.07 109.81 3kga h GLY 154 Ca -0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 3kga h GLY 154 CO 0.95 -0.12 -0.27 1.29 0.00 0.00 0.00 176.54 178.39 3kga h ASP 155 N 0.36 0.00 -5.99 0.19 2.03 -2.00 -3.47 116.42 107.54 3kga h ASP 155 Ca 0.38 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 56.29 3kga h ASP 155 Cb 0.59 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 39.18 3kga h ASP 155 CO -0.42 0.27 -0.87 0.00 -1.03 0.00 0.00 179.24 177.19 3kga n GLN 156 N -3.27 -3.30 -3.00 4.15 6.02 -0.83 -4.99 117.38 112.16 3kga n GLN 156 Ca 0.01 0.63 -0.25 0.00 -0.01 0.00 0.00 57.00 57.38 3kga n GLN 156 Cb 0.55 -5.01 -0.04 0.00 1.02 0.00 0.00 30.24 26.76 3kga n GLN 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kga n ALA 157 N -4.03 4.13 -2.71 -1.58 0.00 -1.26 -4.88 120.51 110.18 3kga n ALA 157 Ca -0.19 -4.44 -0.36 0.00 0.00 0.00 0.00 53.44 48.44 3kga n ALA 157 Cb 0.64 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 3kga n ALA 157 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kga s PHE 158 N -3.24 3.32 0.22 0.00 5.36 -1.26 -5.04 117.98 117.33 3kga s PHE 158 Ca 0.47 0.20 0.08 0.00 -0.96 0.00 0.00 56.93 56.72 3kga s PHE 158 Cb 0.29 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 3kga s PHE 158 CO -0.13 0.10 0.05 0.95 -1.46 0.00 0.00 175.22 174.73 3kga s THR 159 N 0.89 3.83 0.47 0.12 -4.23 -1.26 -1.55 115.64 113.91 3kga s THR 159 Ca 0.07 -1.56 0.26 0.00 -1.18 0.00 0.00 61.69 59.28 3kga s THR 159 Cb -0.13 -3.00 0.45 0.00 1.34 0.00 0.00 72.50 71.16 3kga s THR 159 CO 0.03 -0.25 1.81 -0.08 -0.54 0.00 0.00 174.62 175.60 3kga h GLU 160 N 2.17 0.20 -0.37 3.99 4.81 -1.19 0.61 114.58 124.81 3kga h GLU 160 Ca -0.46 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 3kga h GLU 160 Cb 1.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3kga h GLU 160 CO 0.60 0.13 -0.39 -0.09 -0.73 0.00 0.00 179.01 178.53 3kga h ARG 161 N 0.21 0.92 -0.68 1.92 2.43 -1.79 -1.51 114.38 115.88 3kga h ARG 161 Ca 0.54 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kga h ARG 161 Cb 1.72 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.26 3kga h ARG 161 CO -0.15 1.15 0.38 0.93 -1.51 0.00 0.00 179.97 180.77 3kga h GLU 162 N 0.73 0.93 -0.56 0.20 5.08 -1.25 -1.51 114.58 118.21 3kga h GLU 162 Ca 0.06 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3kga h GLU 162 Cb 0.99 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3kga h GLU 162 CO 0.10 0.68 0.10 0.00 -1.00 0.00 0.00 179.01 178.89 3kga h ALA 163 N 1.48 0.74 -0.98 3.43 0.00 -1.01 -1.62 119.26 121.30 3kga h ALA 163 Ca 0.24 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kga h ALA 163 Cb 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3kga h ALA 163 CO -0.04 0.48 0.64 1.03 0.00 0.00 0.00 179.25 181.35 3kga h SER 164 N 0.82 1.06 -0.08 0.00 0.87 -0.85 -0.21 113.55 115.15 3kga h SER 164 Ca 0.17 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 3kga h SER 164 Cb 0.40 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3kga h SER 164 CO 0.01 0.72 -0.58 -0.33 -0.53 0.00 0.00 176.83 176.12 3kga h GLU 165 N 1.23 0.54 -0.77 2.24 5.08 -0.68 -0.73 114.58 121.48 3kga h GLU 165 Ca 0.39 -0.47 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3kga h GLU 165 Cb 0.02 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3kga h GLU 165 CO -0.13 1.10 0.44 0.82 -1.00 0.00 0.00 179.01 180.24 3kga h ILE 166 N 0.14 0.96 -0.34 3.13 2.04 -1.22 -2.28 117.51 119.93 3kga h ILE 166 Ca -0.05 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3kga h ILE 166 Cb 1.23 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3kga h ILE 166 CO 0.12 0.14 -0.19 0.24 0.00 0.00 0.00 178.15 178.46 3kga h MET 167 N 0.79 0.64 -0.85 2.37 2.86 -0.40 -1.42 114.93 118.92 3kga h MET 167 Ca 0.35 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3kga h MET 167 Cb 0.25 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 3kga h MET 167 CO -0.21 0.79 0.54 -0.22 1.06 0.00 0.00 176.91 178.88 3kga h LYS 168 N 0.57 1.01 -0.57 1.72 3.64 -0.71 0.48 116.57 122.71 3kga h LYS 168 Ca 0.09 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3kga h LYS 168 Cb 0.64 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3kga h LYS 168 CO 0.05 0.67 0.34 0.77 -2.27 0.00 0.00 179.45 179.00 3kga h SER 169 N 1.04 0.69 -0.10 4.20 0.02 -0.74 -1.07 113.55 117.60 3kga h SER 169 Ca 0.34 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 61.04 3kga h SER 169 Cb 0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3kga h SER 169 CO -0.13 0.56 -0.61 0.40 -1.14 0.00 0.00 176.83 175.91 3kga h ILE 170 N 0.77 1.30 -0.08 3.27 2.04 -0.98 -3.05 117.51 120.78 3kga h ILE 170 Ca 0.20 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 3kga h ILE 170 Cb 0.00 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3kga h ILE 170 CO -0.04 0.58 -0.17 1.23 0.00 0.00 0.00 178.15 179.76 3kga h GLY 171 N 0.86 0.14 1.13 5.37 0.00 -0.70 -1.84 103.07 108.02 3kga h GLY 171 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 3kga h GLY 171 CO 0.12 0.08 -0.09 0.83 0.00 0.00 0.00 176.54 177.49 3kga h GLU 172 N 0.13 1.02 0.18 4.80 5.08 -1.09 -0.72 114.58 123.98 3kga h GLU 172 Ca 0.02 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3kga h GLU 172 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kga h GLU 172 CO 0.03 1.05 -0.09 0.00 -1.00 0.00 0.00 179.01 179.00 3kga h ALA 173 N 0.97 -0.24 -0.95 3.43 0.00 -1.36 -0.84 119.26 120.27 3kga h ALA 173 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3kga h ALA 173 Cb 0.65 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3kga h ALA 173 CO 0.05 -0.59 0.61 0.82 0.00 0.00 0.00 179.25 180.13 3kga h ILE 174 N -0.33 0.93 -0.20 0.00 1.08 -1.31 -1.72 117.51 115.97 3kga h ILE 174 Ca -0.02 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.06 3kga h ILE 174 Cb 0.26 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3kga h ILE 174 CO 0.04 0.17 -0.15 -0.61 -0.69 0.00 0.00 178.15 176.91 3kga h GLN 175 N 0.93 0.45 -0.21 2.37 4.15 -0.85 0.18 115.11 122.12 3kga h GLN 175 Ca 0.46 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 59.71 3kga h GLN 175 Cb 0.48 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 3kga h GLN 175 CO -0.22 0.78 -0.39 -0.92 -1.93 0.00 0.00 178.83 176.15 3kga h TYR 176 N 0.13 -1.12 0.14 3.99 5.03 -0.78 -1.32 116.97 123.05 3kga h TYR 176 Ca 0.04 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.41 3kga h TYR 176 Cb 0.68 0.52 -0.02 0.00 1.55 0.00 0.00 36.73 39.46 3kga h TYR 176 CO 0.07 -0.45 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.23 3kga h LEU 177 N -0.42 -0.45 -1.47 2.82 3.38 -1.08 -3.01 115.31 115.08 3kga h LEU 177 Ca 0.10 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3kga h LEU 177 Cb 0.59 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kga h LEU 177 CO -0.44 -0.25 -0.00 0.45 0.09 0.00 0.00 178.44 178.29 3kga h HIS 178 N -0.35 0.34 0.00 1.13 3.86 -0.49 -0.29 115.15 119.35 3kga h HIS 178 Ca 0.01 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3kga h HIS 178 Cb 0.35 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 3kga h HIS 178 CO -0.15 0.36 -0.16 0.77 0.86 0.00 0.00 177.93 179.61 3kga h SER 179 N 0.33 0.00 -0.45 2.45 0.02 -1.12 -1.94 113.55 112.85 3kga h SER 179 Ca 0.08 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3kga h SER 179 Cb 0.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3kga h SER 179 CO 0.01 0.16 0.08 2.30 -1.14 0.00 0.00 176.83 178.23 3kga n ILE 180 N -4.06 2.58 -3.62 3.27 -5.35 -0.24 -4.96 119.36 106.97 3kga n ILE 180 Ca -0.02 -1.99 -0.22 0.00 -0.27 0.00 0.00 62.75 60.25 3kga n ILE 180 Cb 0.24 -0.31 0.04 0.00 -1.74 0.00 0.00 39.64 37.88 3kga n ILE 180 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kga n ASN 181 N -0.52 -2.48 -4.15 7.28 3.02 -0.73 -4.92 115.26 112.76 3kga n ASN 181 Ca 0.31 -0.82 -0.26 0.00 -0.03 0.00 0.00 54.58 53.78 3kga n ASN 181 Cb 1.10 -4.19 -0.16 0.00 -0.61 0.00 0.00 39.78 35.92 3kga n ASN 181 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kga s ILE 182 N -3.58 1.46 -0.15 2.41 1.01 -0.49 -1.46 121.20 120.41 3kga s ILE 182 Ca 0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3kga s ILE 182 Cb -0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3kga s ILE 182 CO 0.80 0.42 0.02 0.00 0.00 0.00 0.00 174.94 176.19 3kga s ALA 183 N -0.02 3.29 -0.05 9.38 0.00 -0.55 -3.40 121.76 130.41 3kga s ALA 183 Ca -0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 3kga s ALA 183 Cb -0.11 -1.71 -0.15 0.00 0.00 0.00 0.00 23.12 21.15 3kga s ALA 183 CO 0.02 0.32 0.82 1.25 0.00 0.00 0.00 175.76 178.17 3kga h HIS 184 N 6.21 -0.22 -0.11 0.00 2.76 -1.90 -1.95 115.15 119.94 3kga h HIS 184 Ca -0.40 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.72 3kga h HIS 184 Cb 1.18 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 3kga h HIS 184 CO 0.58 0.19 -0.04 0.54 -1.30 0.00 0.00 177.93 177.90 3kga n ARG 185 N -4.93 -0.56 -1.75 5.26 1.74 -1.26 -2.34 116.66 112.82 3kga n ARG 185 Ca -0.07 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.37 3kga n ARG 185 Cb 0.26 -3.92 0.02 0.00 -1.02 0.00 0.00 32.46 27.79 3kga n ARG 185 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kga n ASP 186 N 0.13 0.57 -4.64 0.55 2.03 -1.26 -4.88 116.55 109.04 3kga n ASP 186 Ca -0.02 -2.02 -0.43 0.00 0.52 0.00 0.00 54.79 52.84 3kga n ASP 186 Cb 0.17 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 3kga n ASP 186 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kga s VAL 187 N -0.75 3.89 0.05 5.18 1.01 -1.26 -4.82 120.40 123.70 3kga s VAL 187 Ca 0.24 1.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 3kga s VAL 187 Cb 0.31 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.96 3kga s VAL 187 CO -0.11 -0.25 0.97 -1.59 0.00 0.00 0.00 175.10 174.12 3kga s LYS 188 N 4.21 0.92 0.22 2.72 -2.85 -1.26 -4.82 119.74 118.87 3kga s LYS 188 Ca 0.65 -0.44 -0.16 0.00 -1.00 0.00 0.00 55.97 55.03 3kga s LYS 188 Cb -0.24 0.36 0.23 0.00 -2.06 0.00 0.00 37.83 36.12 3kga s LYS 188 CO 0.25 -0.41 1.59 -1.35 0.10 0.00 0.00 175.35 175.53 3kga h PRO 189 N 2.00 -0.06 0.00 1.78 0.11 -1.94 -0.90 132.00 132.99 3kga h PRO 189 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3kga h PRO 189 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kga h PRO 189 CO 0.28 -0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.18 3kga n GLU 190 N -5.47 0.07 -0.13 1.05 0.00 -1.26 -1.83 120.64 113.07 3kga n GLU 190 Ca 0.08 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.64 3kga n GLU 190 Cb 0.38 -1.63 0.26 0.00 0.00 0.00 0.00 31.44 30.45 3kga n GLU 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3kga n ASN 191 N -1.77 2.78 -4.20 -1.84 3.02 -0.35 -4.81 115.26 108.10 3kga n ASN 191 Ca 0.03 -1.89 -0.36 0.00 -0.03 0.00 0.00 54.58 52.33 3kga n ASN 191 Cb 0.21 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 3kga n ASN 191 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kga s LEU 192 N -1.56 4.03 0.10 3.41 1.43 -0.76 -1.19 118.68 124.13 3kga s LEU 192 Ca 0.36 -1.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.28 3kga s LEU 192 Cb 0.21 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3kga s LEU 192 CO 0.30 -0.28 -0.14 -0.76 0.23 0.00 0.00 176.35 175.69 3kga s LEU 193 N 1.30 2.36 0.05 1.79 1.43 -0.81 -0.34 118.68 124.45 3kga s LEU 193 Ca -0.04 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3kga s LEU 193 Cb -0.20 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 3kga s LEU 193 CO 0.00 -0.12 0.23 -0.31 0.23 0.00 0.00 176.35 176.38 3kga s TYR 194 N -1.85 3.53 0.15 0.29 2.02 -0.41 -0.01 117.35 121.07 3kga s TYR 194 Ca 0.05 0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.94 3kga s TYR 194 Cb -0.07 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3kga s TYR 194 CO 0.03 0.59 1.74 1.79 -1.57 0.00 0.00 175.55 178.13 3kga h THR 195 N 2.37 1.17 -4.07 -0.71 1.35 -1.43 0.26 112.91 111.84 3kga h THR 195 Ca -0.47 -0.45 -0.30 0.00 -0.55 0.00 0.00 66.41 64.64 3kga h THR 195 Cb 1.17 0.67 -0.07 0.00 -1.73 0.00 0.00 68.15 68.19 3kga h THR 195 CO 0.73 0.18 -0.19 -1.54 -0.25 0.00 0.00 175.52 174.45 3kga n SER 196 N -4.69 -1.21 0.09 5.36 3.41 -1.26 -0.67 113.62 114.65 3kga n SER 196 Ca 0.01 -2.87 0.13 0.00 -0.26 0.00 0.00 58.87 55.88 3kga n SER 196 Cb 0.09 2.31 0.44 0.00 -0.26 0.00 0.00 64.21 66.80 3kga n SER 196 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kga n LYS 197 N -0.57 0.22 -1.66 4.33 4.76 -1.26 -3.93 118.16 120.05 3kga n LYS 197 Ca 0.02 0.20 -0.53 0.00 -2.87 0.00 0.00 58.31 55.13 3kga n LYS 197 Cb 0.57 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 3kga n LYS 197 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kga n ARG 198 N -2.15 1.44 0.20 1.97 1.74 -1.26 -4.81 116.66 113.79 3kga n ARG 198 Ca 0.06 0.53 0.03 0.00 -0.77 0.00 0.00 57.85 57.69 3kga n ARG 198 Cb 0.40 -2.23 0.15 0.00 -1.02 0.00 0.00 32.46 29.76 3kga n ARG 198 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kga h PRO 199 N 6.54 0.00 -0.81 5.56 0.11 -2.03 0.12 132.00 141.49 3kga h PRO 199 Ca -0.47 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 3kga h PRO 199 Cb 1.31 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.27 3kga h PRO 199 CO 0.89 0.00 0.31 0.09 -0.21 0.00 0.00 178.00 179.08 3kga n ASN 200 N -2.01 4.51 -4.83 -2.05 4.13 -1.26 -5.00 115.26 108.75 3kga n ASN 200 Ca -0.00 -3.18 -0.33 0.00 1.68 0.00 0.00 54.58 52.75 3kga n ASN 200 Cb 0.65 -0.75 -0.06 0.00 -1.54 0.00 0.00 39.78 38.08 3kga n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kga s ALA 201 N -2.83 3.07 0.04 5.41 0.00 0.40 -5.04 121.76 122.82 3kga s ALA 201 Ca 0.51 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3kga s ALA 201 Cb 0.41 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 3kga s ALA 201 CO 0.12 0.07 0.45 0.42 0.00 0.00 0.00 175.76 176.83 3kga s ILE 202 N -2.26 4.96 0.08 0.00 1.01 -1.26 -4.83 121.20 118.90 3kga s ILE 202 Ca 0.60 0.85 -0.24 0.00 0.00 0.00 0.00 60.65 61.86 3kga s ILE 202 Cb -0.09 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3kga s ILE 202 CO 0.18 0.49 0.74 -0.22 0.00 0.00 0.00 174.94 176.12 3kga s LEU 203 N -1.33 4.50 -0.04 2.97 2.96 -1.26 -1.09 118.68 125.39 3kga s LEU 203 Ca 0.28 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3kga s LEU 203 Cb -0.17 -3.20 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3kga s LEU 203 CO 0.16 0.10 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.63 3kga s LYS 204 N -0.47 1.26 0.16 1.98 -0.14 0.99 -4.62 119.74 118.90 3kga s LYS 204 Ca 0.36 -0.39 -0.29 0.00 -1.36 0.00 0.00 55.97 54.29 3kga s LYS 204 Cb -0.21 -1.13 -0.07 0.00 -1.68 0.00 0.00 37.83 34.74 3kga s LYS 204 CO 0.23 0.13 0.92 -1.17 -0.76 0.00 0.00 175.35 174.70 3kga s LEU 205 N 0.23 4.56 0.41 3.17 2.96 0.33 -1.93 118.68 128.40 3kga s LEU 205 Ca -0.05 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3kga s LEU 205 Cb -0.10 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3kga s LEU 205 CO 0.01 0.05 0.05 0.42 -1.32 0.00 0.00 176.35 175.57 3kga s THR 206 N -0.57 1.20 -0.15 3.68 -4.23 -0.33 -1.03 115.64 114.21 3kga s THR 206 Ca 0.43 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3kga s THR 206 Cb -0.24 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.05 3kga s THR 206 CO 0.30 0.00 0.04 -0.67 -0.54 0.00 0.00 174.62 173.75 3kga n ASP 207 N -1.05 -4.11 -1.67 3.99 -0.08 -1.26 -4.90 116.55 107.48 3kga n ASP 207 Ca -0.08 0.77 0.03 0.00 -1.51 0.00 0.00 54.79 54.00 3kga n ASP 207 Cb 0.66 -3.37 0.30 0.00 2.34 0.00 0.00 41.12 41.06 3kga n ASP 207 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kga n PHE 208 N 0.54 1.77 0.29 -0.67 3.01 -1.26 -4.50 117.46 116.64 3kga n PHE 208 Ca -0.07 -0.70 0.18 0.00 1.01 0.00 0.00 57.45 57.87 3kga n PHE 208 Cb 0.10 -0.48 0.93 0.00 -0.01 0.00 0.00 39.48 40.02 3kga n PHE 208 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kga h GLY 209 N 3.91 0.00 -0.28 1.37 0.00 -1.90 -2.03 103.07 104.13 3kga h GLY 209 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kga h GLY 209 CO 0.46 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.69 3kga n PHE 210 N -2.81 0.05 -1.90 5.60 3.72 -1.26 -4.96 117.46 115.90 3kga n PHE 210 Ca -0.02 -0.20 -0.37 0.00 -0.05 0.00 0.00 57.45 56.81 3kga n PHE 210 Cb 0.11 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 3kga n PHE 210 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kga s ALA 211 N -0.56 2.60 0.09 4.37 0.00 -0.76 -4.68 121.76 122.82 3kga s ALA 211 Ca 0.05 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.07 3kga s ALA 211 Cb 0.03 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 3kga s ALA 211 CO 0.04 -1.30 0.18 -1.59 0.00 0.00 0.00 175.76 173.09 3kga s LYS 212 N -3.18 0.83 0.37 0.00 -2.85 -0.73 -4.90 119.74 109.28 3kga s LYS 212 Ca 0.76 -0.97 -0.25 0.00 -1.00 0.00 0.00 55.97 54.51 3kga s LYS 212 Cb -0.35 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.67 3kga s LYS 212 CO 0.39 -0.26 1.04 -1.21 0.10 0.00 0.00 175.35 175.41 3kga s GLU 213 N -3.86 4.28 -0.16 1.78 2.02 -1.26 -1.48 118.70 120.01 3kga s GLU 213 Ca 0.05 1.53 0.16 0.00 0.02 0.00 0.00 54.97 56.73 3kga s GLU 213 Cb 0.05 -2.66 0.34 0.00 0.10 0.00 0.00 34.13 31.95 3kga s GLU 213 CO -0.11 -0.04 1.17 0.25 0.02 0.00 0.00 175.26 176.55 3kga n THR 214 N 0.18 1.93 -0.73 3.63 -2.24 -0.54 -4.92 114.28 111.60 3kga n THR 214 Ca 0.04 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.25 3kga n THR 214 Cb 0.49 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3kga n THR 214 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kga n THR 215 N -1.25 0.00 -0.99 4.28 -2.24 -1.26 -4.21 114.28 108.61 3kga n THR 215 Ca 0.17 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 3kga n THR 215 Cb 0.67 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 3kga n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kga n GLY 237 N 0.03 0.04 0.00 3.38 0.00 -1.26 -4.29 105.19 103.09 3kga n GLY 237 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kga n GLY 237 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kga n GLU 238 N 6.28 0.00 -0.52 1.61 0.28 -1.26 -5.02 120.64 122.01 3kga n GLU 238 Ca 0.25 -0.02 0.04 0.00 -0.16 0.00 0.00 57.16 57.28 3kga n GLU 238 Cb 0.41 -0.02 0.07 0.00 1.43 0.00 0.00 31.44 33.33 3kga n GLU 238 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3kga n LYS 239 N 0.00 0.54 -2.79 3.44 0.00 -1.26 -5.05 118.16 113.04 3kga n LYS 239 Ca 0.00 -1.85 -0.20 0.00 -0.00 0.00 0.00 58.31 56.26 3kga n LYS 239 Cb 0.49 -0.84 0.01 0.00 -0.00 0.00 0.00 35.03 34.69 3kga n LYS 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3kga n TYR 240 N -0.47 -1.57 0.25 5.58 4.01 -1.26 -4.87 117.16 118.82 3kga n TYR 240 Ca 0.08 0.27 0.13 0.00 -0.16 0.00 0.00 57.90 58.21 3kga n TYR 240 Cb 0.75 -3.78 0.63 0.00 -0.31 0.00 0.00 39.34 36.63 3kga n TYR 240 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kga h ASP 241 N -0.68 0.00 1.83 7.72 3.32 -1.92 -2.95 116.42 123.74 3kga h ASP 241 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kga h ASP 241 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3kga h ASP 241 CO 0.53 0.14 0.00 0.11 -1.72 0.00 0.00 179.24 178.30 3kga h LYS 242 N 0.00 0.00 -0.80 3.56 1.57 -1.95 -3.31 116.57 115.63 3kga h LYS 242 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kga h LYS 242 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 3kga h LYS 242 CO 0.02 0.00 0.53 0.77 -0.57 0.00 0.00 179.45 180.20 3kga h SER 243 N 0.00 0.84 -0.89 0.86 0.02 -1.89 -1.44 113.55 111.05 3kga h SER 243 Ca 0.00 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.10 3kga h SER 243 Cb 0.91 -0.19 -0.16 0.00 0.14 0.00 0.00 62.40 63.11 3kga h SER 243 CO 0.00 0.57 -0.31 0.00 -1.14 0.00 0.00 176.83 175.95 3kga h ASP 245 N -0.03 0.40 -0.31 0.00 3.32 -1.50 -2.56 116.42 115.74 3kga h ASP 245 Ca 0.37 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3kga h ASP 245 Cb 0.62 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kga h ASP 245 CO -0.91 0.59 -0.12 0.24 -1.72 0.00 0.00 179.24 177.32 3kga h MET 246 N 0.38 0.63 -0.63 3.56 2.86 -1.07 -2.34 114.93 118.32 3kga h MET 246 Ca 0.07 -0.26 0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3kga h MET 246 Cb 0.52 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 3kga h MET 246 CO 0.03 0.84 0.42 2.35 1.06 0.00 0.00 176.91 181.61 3kga h TRP 247 N 0.40 0.52 -0.13 -0.22 7.01 -0.92 -1.23 115.95 121.38 3kga h TRP 247 Ca 0.07 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 3kga h TRP 247 Cb 0.63 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 3kga h TRP 247 CO 0.06 0.26 -0.09 0.77 -2.79 0.00 0.00 178.44 176.64 3kga h SER 248 N 0.50 0.30 -0.80 2.65 0.02 -1.12 -1.62 113.55 113.47 3kga h SER 248 Ca 0.29 -0.44 0.19 0.00 -0.84 0.00 0.00 61.79 60.98 3kga h SER 248 Cb 0.47 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 62.81 3kga h SER 248 CO -0.09 0.68 0.24 -0.07 -1.14 0.00 0.00 176.83 176.45 3kga h LEU 249 N -0.08 0.09 -0.35 5.07 4.07 -0.85 0.35 115.31 123.60 3kga h LEU 249 Ca 0.03 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 3kga h LEU 249 Cb 0.58 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 3kga h LEU 249 CO 0.02 -0.04 0.12 1.23 -1.08 0.00 0.00 178.44 178.69 3kga h GLY 250 N 0.30 0.58 0.98 0.83 0.00 -0.81 0.21 103.07 105.16 3kga h GLY 250 Ca 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3kga h GLY 250 CO -0.54 0.32 0.24 -2.08 0.00 0.00 0.00 176.54 174.48 3kga h VAL 251 N 0.42 1.22 -0.18 4.60 2.07 -0.63 0.61 116.25 124.35 3kga h VAL 251 Ca 0.12 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3kga h VAL 251 Cb 0.23 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kga h VAL 251 CO -0.01 0.25 -0.11 0.40 0.02 0.00 0.00 177.57 178.13 3kga h ILE 252 N 0.76 1.32 -0.19 4.57 2.04 -0.75 -0.12 117.51 125.14 3kga h ILE 252 Ca 0.19 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.91 3kga h ILE 252 Cb 0.17 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3kga h ILE 252 CO -0.02 0.36 -0.18 -0.03 0.00 0.00 0.00 178.15 178.28 3kga h MET 253 N 0.06 -0.19 -0.38 2.37 4.05 -0.38 0.16 114.93 120.62 3kga h MET 253 Ca 0.04 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.53 3kga h MET 253 Cb 0.61 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 3kga h MET 253 CO 0.03 -0.13 0.09 -0.92 0.23 0.00 0.00 176.91 176.21 3kga h TYR 254 N -0.20 0.15 -0.85 1.39 5.03 -0.63 -1.49 116.97 120.37 3kga h TYR 254 Ca 0.12 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 3kga h TYR 254 Cb 0.37 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.60 3kga h TYR 254 CO -0.32 0.03 0.51 0.82 -1.32 0.00 0.00 178.16 177.89 3kga h ILE 255 N 0.22 1.24 -0.22 1.81 2.04 -0.47 -2.11 117.51 120.02 3kga h ILE 255 Ca 0.18 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3kga h ILE 255 Cb 0.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3kga h ILE 255 CO -0.23 0.25 0.16 -0.07 0.00 0.00 0.00 178.15 178.27 3kga h LEU 256 N 1.17 0.00 0.00 1.44 3.38 0.23 0.18 115.31 121.71 3kga h LEU 256 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kga h LEU 256 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kga h LEU 256 CO -0.06 0.00 -0.77 -0.07 0.09 0.00 0.00 178.44 177.63 3kga h LEU 257 N 0.00 0.00 0.00 1.67 3.38 -0.62 -3.42 115.31 116.31 3kga h LEU 257 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kga h LEU 257 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kga h LEU 257 CO -0.00 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 178.51 3kga n GLY 259 N 0.12 0.72 3.18 0.00 0.00 0.59 -3.96 105.19 105.85 3kga n GLY 259 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3kga n GLY 259 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kga s TYR 260 N -2.30 0.06 0.68 1.61 -0.85 -1.26 -4.35 117.35 110.94 3kga s TYR 260 Ca 0.00 -0.28 -0.12 0.00 -0.52 0.00 0.00 57.07 56.15 3kga s TYR 260 Cb 0.00 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.31 3kga s TYR 260 CO 0.00 -0.43 1.06 -1.25 -1.52 0.00 0.00 175.55 173.41 3kga s PRO 261 N -2.55 2.98 -1.47 -3.49 0.04 -1.26 -4.03 135.00 125.21 3kga s PRO 261 Ca -0.05 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 3kga s PRO 261 Cb -0.01 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3kga s PRO 261 CO -0.04 -1.07 2.62 -0.35 0.04 0.00 0.00 177.00 178.20 3kga n PRO 262 N -2.97 4.05 -4.34 0.56 -0.04 -1.26 -4.91 135.00 126.08 3kga n PRO 262 Ca 0.08 -2.84 -0.24 0.00 -0.04 0.00 0.00 63.50 60.46 3kga n PRO 262 Cb 0.53 -2.76 -0.08 0.00 -0.04 0.00 0.00 33.50 31.15 3kga n PRO 262 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kga s PHE 263 N 0.69 2.54 0.51 0.54 0.08 -1.26 -5.16 117.98 115.93 3kga s PHE 263 Ca 0.60 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.33 3kga s PHE 263 Cb 0.18 -1.42 0.08 0.00 -0.57 0.00 0.00 43.02 41.29 3kga s PHE 263 CO -0.07 0.51 0.66 0.66 -0.10 0.00 0.00 175.22 176.88 3kga n TYR 264 N -0.92 -2.10 0.00 0.36 4.01 -1.26 -4.84 117.16 112.41 3kga n TYR 264 Ca -0.04 -1.92 0.00 0.00 -0.16 0.00 0.00 57.90 55.78 3kga n TYR 264 Cb 0.62 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3kga n TYR 264 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kga n SER 265 N -2.32 0.00 0.00 7.72 7.64 -1.26 -5.11 113.62 120.29 3kga n SER 265 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3kga n SER 265 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3kga n SER 265 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kga n PRO 273 N 0.00 0.00 0.00 1.43 -0.02 -1.26 -5.08 135.00 130.07 3kga n PRO 273 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kga n PRO 273 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kga n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kga n GLY 274 N 0.00 0.32 3.41 -1.23 0.00 -1.26 -5.09 105.19 101.34 3kga n GLY 274 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3kga n GLY 274 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kga s MET 275 N -0.94 1.51 0.40 1.61 -1.94 -1.26 -5.13 119.30 113.54 3kga s MET 275 Ca 0.00 -1.77 -0.26 0.00 -1.71 0.00 0.00 55.69 51.96 3kga s MET 275 Cb 0.00 -1.02 -0.09 0.00 2.01 0.00 0.00 34.83 35.73 3kga s MET 275 CO 0.00 -0.00 1.21 0.15 -0.01 0.00 0.00 175.02 176.36 3kga s LYS 276 N -3.76 4.06 -0.29 2.03 1.02 -1.26 -5.00 119.74 116.53 3kga s LYS 276 Ca 0.29 1.93 -0.21 0.00 0.02 0.00 0.00 55.97 58.01 3kga s LYS 276 Cb 0.04 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3kga s LYS 276 CO 0.11 -0.35 0.64 0.99 -0.92 0.00 0.00 175.35 175.83 3kga s THR 277 N -1.35 4.94 0.09 2.17 2.01 -1.26 -4.95 115.64 117.28 3kga s THR 277 Ca 0.56 0.95 -0.11 0.00 0.31 0.00 0.00 61.69 63.40 3kga s THR 277 Cb -0.33 -4.00 -0.21 0.00 0.01 0.00 0.00 72.50 67.98 3kga s THR 277 CO 0.42 -0.11 1.24 0.03 -0.69 0.00 0.00 174.62 175.51 3kga h ARG 278 N 8.11 0.66 -3.58 4.92 2.47 -1.99 -3.44 114.38 121.52 3kga h ARG 278 Ca -0.26 -0.67 -0.44 0.00 -1.26 0.00 0.00 59.98 57.34 3kga h ARG 278 Cb 1.12 0.18 -0.39 0.00 -1.65 0.00 0.00 29.97 29.23 3kga h ARG 278 CO 0.80 1.26 -0.76 0.42 0.56 0.00 0.00 179.97 182.25 3kga s ILE 279 N -3.39 0.30 0.64 2.04 1.01 -1.26 -4.87 121.20 115.67 3kga s ILE 279 Ca -0.09 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.44 3kga s ILE 279 Cb 0.08 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 3kga s ILE 279 CO 0.91 0.13 1.09 0.00 0.00 0.00 0.00 174.94 177.07 3kga s ARG 280 N 1.99 3.00 -0.10 2.79 1.04 -1.26 -4.78 118.95 121.62 3kga s ARG 280 Ca 0.04 1.29 -0.29 0.00 -1.04 0.00 0.00 55.73 55.72 3kga s ARG 280 Cb -0.13 -1.98 -0.06 0.00 -2.04 0.00 0.00 34.95 30.74 3kga s ARG 280 CO -0.06 -1.08 1.87 1.41 -0.04 0.00 0.00 175.30 177.41 3kga s MET 281 N -4.16 3.84 0.00 3.89 1.75 -1.26 -2.65 119.30 120.71 3kga s MET 281 Ca 0.65 2.16 0.00 0.00 -1.25 0.00 0.00 55.69 57.25 3kga s MET 281 Cb -0.18 -4.14 0.00 0.00 2.84 0.00 0.00 34.83 33.34 3kga s MET 281 CO 0.41 -1.28 0.00 0.41 -0.65 0.00 0.00 175.02 173.91 3kga n GLY 282 N 4.77 0.75 3.92 2.11 0.00 -1.26 -5.05 105.19 110.42 3kga n GLY 282 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3kga n GLY 282 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kga s GLN 283 N -0.52 3.35 0.12 1.61 -2.07 -1.08 -5.00 119.66 116.07 3kga s GLN 283 Ca 0.00 -0.02 -0.27 0.00 -1.82 0.00 0.00 55.36 53.25 3kga s GLN 283 Cb 0.00 -2.43 -0.15 0.00 -1.09 0.00 0.00 33.01 29.34 3kga s GLN 283 CO 0.00 -0.25 0.59 0.98 -1.32 0.00 0.00 175.29 175.29 3kga n TYR 284 N -2.22 -0.13 1.38 9.60 9.36 -1.26 -4.84 117.16 129.06 3kga n TYR 284 Ca 0.01 0.86 0.15 0.00 3.32 0.00 0.00 57.90 62.23 3kga n TYR 284 Cb 0.56 -1.72 0.74 0.00 -0.63 0.00 0.00 39.34 38.30 3kga n TYR 284 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3kga n GLU 285 N 0.99 0.39 -3.75 2.98 4.71 -1.26 -4.43 120.64 120.27 3kga n GLU 285 Ca 0.16 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 57.03 3kga n GLU 285 Cb 0.17 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 28.98 3kga n GLU 285 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3kga s PHE 286 N -2.62 2.74 0.26 -0.32 0.08 -1.26 -5.01 117.98 111.85 3kga s PHE 286 Ca 0.27 -2.97 -0.30 0.00 0.12 0.00 0.00 56.93 54.05 3kga s PHE 286 Cb 0.20 -2.17 -0.10 0.00 -0.57 0.00 0.00 43.02 40.37 3kga s PHE 286 CO 0.47 -0.66 1.49 -2.14 -0.10 0.00 0.00 175.22 174.28 3kga s PRO 287 N -0.79 4.22 0.24 0.24 0.02 -1.26 -4.73 135.00 132.95 3kga s PRO 287 Ca 0.25 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.62 3kga s PRO 287 Cb -0.06 -3.09 0.45 0.00 0.02 0.00 0.00 34.50 31.82 3kga s PRO 287 CO -0.14 -0.49 1.74 -0.91 -0.33 0.00 0.00 177.00 176.87 3kga h ASN 288 N 5.07 0.33 -0.31 2.53 2.35 -1.97 0.26 115.58 123.85 3kga h ASN 288 Ca -0.46 0.10 0.07 0.00 -0.55 0.00 0.00 56.30 55.46 3kga h ASN 288 Cb 1.22 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.57 3kga h ASN 288 CO 0.79 0.14 -0.25 -0.65 -1.65 0.00 0.00 177.43 175.81 3kga h PRO 289 N 0.48 -0.21 0.00 0.81 0.11 -2.00 -0.55 132.00 130.65 3kga h PRO 289 Ca 0.41 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.36 3kga h PRO 289 Cb 0.60 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3kga h PRO 289 CO -0.38 -0.14 -1.54 0.39 -0.21 0.00 0.00 178.00 176.11 3kga n GLU 290 N -5.39 0.63 0.00 1.05 4.71 -1.06 -4.32 120.64 116.27 3kga n GLU 290 Ca 0.00 0.17 0.12 0.00 -0.01 0.00 0.00 57.16 57.44 3kga n GLU 290 Cb 0.30 -1.76 0.14 0.00 -1.01 0.00 0.00 31.44 29.11 3kga n GLU 290 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3kga n TRP 291 N -2.83 0.00 0.28 -0.32 7.02 0.06 -4.57 117.44 117.08 3kga n TRP 291 Ca -0.11 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.50 3kga n TRP 291 Cb 0.85 -0.05 0.81 0.00 -2.42 0.00 0.00 31.31 30.50 3kga n TRP 291 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kga h SER 292 N 1.95 0.00 -0.66 -0.99 4.64 -1.29 -0.33 113.55 116.88 3kga h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kga h SER 292 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3kga h SER 292 CO 0.00 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 3kga n GLU 293 N -3.82 2.84 -3.54 4.77 -0.58 -1.26 -4.92 120.64 114.13 3kga n GLU 293 Ca -0.03 -2.58 -0.38 0.00 -0.42 0.00 0.00 57.16 53.75 3kga n GLU 293 Cb 0.15 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.41 3kga n GLU 293 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kga s VAL 294 N -1.08 5.12 0.65 2.62 1.01 -0.14 -5.06 120.40 123.53 3kga s VAL 294 Ca 0.45 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 3kga s VAL 294 Cb 0.24 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3kga s VAL 294 CO 0.29 0.55 1.04 -0.94 0.00 0.00 0.00 175.10 176.05 3kga s SER 295 N -0.85 5.91 0.41 3.32 1.04 -1.26 -4.93 113.70 117.34 3kga s SER 295 Ca 0.22 1.49 0.08 0.00 0.48 0.00 0.00 55.95 58.22 3kga s SER 295 Cb -0.16 -2.47 0.87 0.00 0.10 0.00 0.00 66.02 64.36 3kga s SER 295 CO 0.11 -1.09 2.04 -0.08 0.98 0.00 0.00 173.24 175.21 3kga h GLU 296 N -0.47 0.54 -0.14 4.02 4.57 -1.98 -2.41 114.58 118.71 3kga h GLU 296 Ca -0.44 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 3kga h GLU 296 Cb 1.20 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3kga h GLU 296 CO 0.60 0.36 0.03 1.49 -1.18 0.00 0.00 179.01 180.31 3kga h GLU 297 N 0.56 0.09 -0.42 1.92 4.81 -2.00 0.06 114.58 119.60 3kga h GLU 297 Ca 0.18 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3kga h GLU 297 Cb 0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3kga h GLU 297 CO -0.04 0.06 0.12 0.28 -0.73 0.00 0.00 179.01 178.70 3kga h VAL 298 N 0.09 1.18 -0.20 0.32 2.07 -1.82 -2.23 116.25 115.67 3kga h VAL 298 Ca 0.06 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 3kga h VAL 298 Cb 0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kga h VAL 298 CO -0.07 0.23 -0.45 0.11 0.02 0.00 0.00 177.57 177.40 3kga h LYS 299 N 0.60 0.50 -0.52 1.57 1.57 -1.08 -1.99 116.57 117.23 3kga h LYS 299 Ca 0.14 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3kga h LYS 299 Cb 0.19 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3kga h LYS 299 CO -0.01 0.85 -0.13 0.52 -0.57 0.00 0.00 179.45 180.11 3kga h MET 300 N 0.40 0.99 -0.27 3.15 2.86 -0.64 -0.14 114.93 121.28 3kga h MET 300 Ca 0.03 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3kga h MET 300 Cb 0.95 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3kga h MET 300 CO 0.08 1.05 0.16 1.25 1.06 0.00 0.00 176.91 180.51 3kga h LEU 301 N 0.87 0.33 -0.28 1.22 5.85 -1.14 -0.68 115.31 121.48 3kga h LEU 301 Ca 0.13 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kga h LEU 301 Cb 0.69 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3kga h LEU 301 CO 0.05 0.29 0.14 0.40 -0.34 0.00 0.00 178.44 178.98 3kga h ILE 302 N 0.34 1.00 -0.66 4.05 2.04 -1.13 -2.13 117.51 121.02 3kga h ILE 302 Ca 0.10 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3kga h ILE 302 Cb 0.02 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3kga h ILE 302 CO -0.02 0.06 0.43 0.03 0.00 0.00 0.00 178.15 178.65 3kga h ARG 303 N 0.30 0.64 -0.25 2.37 3.08 -0.64 -0.44 114.38 119.43 3kga h ARG 303 Ca 0.11 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kga h ARG 303 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3kga h ARG 303 CO -0.07 0.42 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.06 3kga h ASN 304 N 0.66 0.51 1.41 7.04 2.35 -0.50 -2.09 115.58 124.95 3kga h ASN 304 Ca 0.28 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 3kga h ASN 304 Cb 0.27 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3kga h ASN 304 CO -0.09 0.77 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.98 3kga h LEU 305 N 0.44 0.00 -2.57 1.61 3.38 -0.73 -0.32 115.31 117.12 3kga h LEU 305 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kga h LEU 305 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kga h LEU 305 CO 0.05 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.18 3kga n LEU 306 N -3.26 3.53 -4.70 1.67 4.77 -0.28 -3.68 117.00 115.05 3kga n LEU 306 Ca 0.02 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.78 3kga n LEU 306 Cb 0.66 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3kga n LEU 306 CO 0.39 0.83 1.09 1.17 -1.33 0.00 0.00 177.39 179.54 3kga n LYS 307 N 1.36 2.30 -0.05 3.23 3.00 -0.80 -4.86 118.16 122.33 3kga n LYS 307 Ca 0.20 0.82 -0.10 0.00 -0.00 0.00 0.00 58.31 59.22 3kga n LYS 307 Cb 0.57 -2.51 -0.04 0.00 0.00 0.00 0.00 35.03 33.05 3kga n LYS 307 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3kga h THR 308 N 3.10 1.09 -3.27 3.15 2.02 -1.94 -3.41 112.91 113.64 3kga h THR 308 Ca -0.46 -0.21 -0.58 0.00 0.77 0.00 0.00 66.41 65.92 3kga h THR 308 Cb 1.26 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 3kga h THR 308 CO 0.75 0.08 0.71 -1.61 0.37 0.00 0.00 175.52 175.83 3kga s GLU 309 N -5.99 4.10 0.58 6.66 8.01 -1.26 -4.92 118.70 125.89 3kga s GLU 309 Ca -0.13 1.03 0.28 0.00 0.01 0.00 0.00 54.97 56.17 3kga s GLU 309 Cb 0.08 -3.70 1.55 0.00 -4.31 0.00 0.00 34.13 27.75 3kga s GLU 309 CO 0.70 -0.75 2.00 -1.35 0.01 0.00 0.00 175.26 175.86 3kga h PRO 310 N 7.90 0.00 0.00 0.39 0.11 -1.97 0.17 132.00 138.60 3kga h PRO 310 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3kga h PRO 310 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kga h PRO 310 CO 0.97 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 3kga n THR 311 N -3.81 0.90 -0.00 -1.15 -2.24 -1.26 -3.12 114.28 103.58 3kga n THR 311 Ca 0.05 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 3kga n THR 311 Cb 0.51 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3kga n THR 311 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kga n GLN 312 N -2.14 1.07 -2.37 -0.78 6.02 0.56 -5.05 117.38 114.69 3kga n GLN 312 Ca 0.02 -0.37 -0.34 0.00 -0.01 0.00 0.00 57.00 56.30 3kga n GLN 312 Cb 0.20 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.57 3kga n GLN 312 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kga s ARG 313 N -0.26 3.56 0.40 -1.09 3.52 -0.89 -4.94 118.95 119.25 3kga s ARG 313 Ca 0.00 1.43 -0.27 0.00 -0.13 0.00 0.00 55.73 56.75 3kga s ARG 313 Cb 0.00 -2.05 -0.10 0.00 -1.56 0.00 0.00 34.95 31.23 3kga s ARG 313 CO 0.00 -0.64 1.48 1.41 -0.81 0.00 0.00 175.30 176.74 3kga s MET 314 N -3.38 3.99 0.52 5.12 -2.45 -0.13 -5.01 119.30 117.96 3kga s MET 314 Ca 0.69 2.55 -0.01 0.00 -1.25 0.00 0.00 55.69 57.67 3kga s MET 314 Cb -0.19 -2.89 0.01 0.00 1.25 0.00 0.00 34.83 33.02 3kga s MET 314 CO 0.25 -0.62 0.77 0.95 1.05 0.00 0.00 175.02 177.41 3kga s THR 315 N -1.14 3.52 0.39 10.11 -4.23 -1.26 -4.88 115.64 118.15 3kga s THR 315 Ca 0.55 -0.41 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 3kga s THR 315 Cb -0.46 -3.34 0.13 0.00 1.34 0.00 0.00 72.50 70.17 3kga s THR 315 CO 0.62 -0.27 1.88 -0.29 -0.54 0.00 0.00 174.62 176.02 3kga h ILE 316 N 0.14 1.17 -0.33 2.99 6.09 -1.96 -0.49 117.51 125.13 3kga h ILE 316 Ca -0.45 -1.07 -0.07 0.00 -1.37 0.00 0.00 64.86 61.90 3kga h ILE 316 Cb 1.27 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 3kga h ILE 316 CO 0.57 0.30 -0.08 0.74 -3.07 0.00 0.00 178.15 176.61 3kga h THR 317 N 0.00 1.28 -0.56 2.19 2.02 -1.98 -0.87 112.91 114.99 3kga h THR 317 Ca -0.00 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 3kga h THR 317 Cb 0.56 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3kga h THR 317 CO 0.04 0.37 0.12 -0.33 0.37 0.00 0.00 175.52 176.08 3kga h GLU 318 N 0.41 0.87 -0.20 6.66 5.08 -1.78 -1.63 114.58 123.99 3kga h GLU 318 Ca 0.08 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3kga h GLU 318 Cb 0.58 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3kga h GLU 318 CO 0.03 0.79 -0.03 0.35 -1.00 0.00 0.00 179.01 179.15 3kga h PHE 319 N 0.83 0.42 0.00 4.33 3.57 -0.95 -2.66 116.94 122.48 3kga h PHE 319 Ca 0.18 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kga h PHE 319 Cb 0.33 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3kga h PHE 319 CO 0.02 0.61 0.00 0.52 -2.23 0.00 0.00 178.31 177.23 3kga h MET 320 N 0.10 0.00 -0.09 1.11 2.86 -1.01 -2.58 114.93 115.32 3kga h MET 320 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kga h MET 320 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3kga h MET 320 CO 0.02 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.08 3kga n ASN 321 N -2.61 1.59 -4.72 1.22 3.02 -0.63 -4.23 115.26 108.91 3kga n ASN 321 Ca 0.03 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.56 3kga n ASN 321 Cb 0.35 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3kga n ASN 321 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kga s HIS 322 N -1.90 3.44 0.43 3.10 2.46 -0.97 -4.83 115.29 117.02 3kga s HIS 322 Ca 0.35 1.35 0.23 0.00 0.47 0.00 0.00 55.06 57.46 3kga s HIS 322 Cb 0.19 -3.42 1.22 0.00 -0.13 0.00 0.00 32.58 30.44 3kga s HIS 322 CO 0.30 -1.24 1.75 -1.35 -2.47 0.00 0.00 174.74 171.73 3kga h PRO 323 N 6.15 0.28 0.00 2.88 0.11 -1.91 0.31 132.00 139.82 3kga h PRO 323 Ca -0.43 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3kga h PRO 323 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kga h PRO 323 CO 0.78 0.18 -0.24 2.35 -0.21 0.00 0.00 178.00 180.87 3kga h TRP 324 N 0.29 0.00 0.02 0.65 7.01 -1.91 -0.08 115.95 121.93 3kga h TRP 324 Ca 0.62 0.00 -0.37 0.00 2.11 0.00 0.00 58.89 61.26 3kga h TRP 324 Cb 1.78 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.79 3kga h TRP 324 CO -0.00 0.24 -2.06 -0.89 -2.79 0.00 0.00 178.44 172.93 3kga n ILE 325 N -3.72 1.57 -0.15 2.65 2.08 0.33 -3.85 119.36 118.27 3kga n ILE 325 Ca -0.01 -0.36 -0.07 0.00 0.56 0.00 0.00 62.75 62.87 3kga n ILE 325 Cb 0.35 -1.82 0.02 0.00 -0.75 0.00 0.00 39.64 37.44 3kga n ILE 325 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 3kga h MET 326 N -0.63 0.54 -1.80 0.38 4.05 -0.49 -2.85 114.93 114.14 3kga h MET 326 Ca -0.53 -0.03 -0.71 0.00 -0.28 0.00 0.00 59.70 58.14 3kga h MET 326 Cb 1.65 -0.12 -0.31 0.00 -0.80 0.00 0.00 31.60 32.02 3kga h MET 326 CO -0.21 0.36 0.56 1.04 0.23 0.00 0.00 176.91 178.89 3kga n GLN 327 N -4.81 2.94 -0.21 0.39 3.00 -0.05 -4.84 117.38 113.80 3kga n GLN 327 Ca 0.02 -3.78 0.15 0.00 -0.01 0.00 0.00 57.00 53.38 3kga n GLN 327 Cb 0.05 -2.27 0.46 0.00 0.00 0.00 0.00 30.24 28.48 3kga n GLN 327 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kga h SER 328 N 2.82 0.49 -0.04 1.08 4.64 -1.61 -0.10 113.55 120.85 3kga h SER 328 Ca 0.50 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3kga h SER 328 Cb 0.32 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kga h SER 328 CO 1.28 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 177.84 3kga n THR 329 N -4.51 0.05 -1.06 2.95 -2.24 -1.26 -2.61 114.28 105.59 3kga n THR 329 Ca 0.16 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 3kga n THR 329 Cb 0.53 -0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.77 3kga n THR 329 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kga n LYS 330 N -0.49 1.27 -2.68 -0.78 5.02 -0.05 -5.04 118.16 115.41 3kga n LYS 330 Ca 0.08 -2.05 -0.36 0.00 -2.02 0.00 0.00 58.31 53.96 3kga n LYS 330 Cb 0.07 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3kga n LYS 330 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kga s VAL 331 N -1.97 4.03 0.47 -0.18 1.01 -1.07 -5.00 120.40 117.68 3kga s VAL 331 Ca 0.20 1.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.43 3kga s VAL 331 Cb 0.18 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 3kga s VAL 331 CO 0.02 -0.04 1.40 -2.65 0.00 0.00 0.00 175.10 173.82 3kga n PRO 332 N -0.08 2.07 -0.67 2.72 -0.02 -1.26 -4.64 135.00 133.13 3kga n PRO 332 Ca 0.05 0.74 -0.04 0.00 -2.02 0.00 0.00 63.50 62.23 3kga n PRO 332 Cb 0.51 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3kga n PRO 332 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kga n GLN 333 N -0.38 1.33 -1.68 -0.52 6.02 -1.26 -2.88 117.38 118.02 3kga n GLN 333 Ca 0.07 -0.36 -0.47 0.00 -0.01 0.00 0.00 57.00 56.23 3kga n GLN 333 Cb 0.42 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 3kga n GLN 333 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3kga n THR 334 N 1.88 0.32 -2.13 5.09 -1.04 -1.26 -4.63 114.28 112.51 3kga n THR 334 Ca 0.15 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 3kga n THR 334 Cb 0.64 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.39 3kga n THR 334 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3kga s PRO 335 N 2.62 3.95 0.23 -2.82 0.04 -1.26 -0.87 135.00 136.89 3kga s PRO 335 Ca 0.86 2.04 0.10 0.00 0.04 0.00 0.00 61.00 64.03 3kga s PRO 335 Cb -0.67 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 3kga s PRO 335 CO 0.44 -0.47 -0.18 -0.51 0.04 0.00 0.00 177.00 176.33 3kga s LEU 336 N -2.52 2.55 0.16 -3.56 1.02 -0.59 -4.87 118.68 110.87 3kga s LEU 336 Ca 0.58 -1.00 0.25 0.00 0.02 0.00 0.00 54.13 53.99 3kga s LEU 336 Cb -0.35 -0.89 0.62 0.00 0.02 0.00 0.00 46.19 45.59 3kga s LEU 336 CO 0.45 -0.05 1.59 1.41 0.02 0.00 0.00 176.35 179.76 3kga n HIS 337 N -0.36 0.75 -0.37 0.29 8.25 -1.26 -4.54 115.22 117.97 3kga n HIS 337 Ca -0.08 0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.52 3kga n HIS 337 Cb 0.60 -0.81 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 3kga n HIS 337 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kga n THR 338 N -2.17 -0.59 -0.25 1.59 -1.04 -1.25 -0.91 114.28 109.66 3kga n THR 338 Ca 0.05 2.17 -0.02 0.00 -2.04 0.00 0.00 64.05 64.21 3kga n THR 338 Cb 0.43 -2.72 0.16 0.00 -1.82 0.00 0.00 70.33 66.38 3kga n THR 338 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3kga h SER 339 N 0.00 0.96 -0.03 8.00 0.87 -1.80 0.11 113.55 121.66 3kga h SER 339 Ca 0.18 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 3kga h SER 339 Cb 0.41 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3kga h SER 339 CO -0.86 0.79 -0.79 -0.09 -0.53 0.00 0.00 176.83 175.36 3kga h ARG 340 N 1.07 0.69 -0.39 2.24 2.43 -1.41 -2.78 114.38 116.24 3kga h ARG 340 Ca 0.27 -0.58 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 3kga h ARG 340 Cb 0.07 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3kga h ARG 340 CO -0.04 1.19 -0.21 0.28 -1.51 0.00 0.00 179.97 179.68 3kga h VAL 341 N 0.46 1.28 -0.83 0.20 2.07 -0.47 -2.16 116.25 116.80 3kga h VAL 341 Ca -0.05 -1.36 0.08 0.00 0.82 0.00 0.00 66.70 66.20 3kga h VAL 341 Cb 1.41 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 3kga h VAL 341 CO 0.16 0.45 0.54 -0.07 0.02 0.00 0.00 177.57 178.67 3kga h LEU 342 N 0.63 0.75 0.10 2.57 3.38 -0.78 0.02 115.31 121.98 3kga h LEU 342 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kga h LEU 342 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kga h LEU 342 CO 0.06 0.46 -0.05 0.11 0.09 0.00 0.00 178.44 179.12 3kga h LYS 343 N 0.84 -0.12 -0.99 1.13 1.57 -1.30 -2.45 116.57 115.24 3kga h LYS 343 Ca 0.38 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 3kga h LYS 343 Cb 0.35 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3kga h LYS 343 CO -0.15 0.34 0.64 0.93 -0.57 0.00 0.00 179.45 180.65 3kga h GLU 344 N -0.66 1.19 -0.64 3.15 5.08 -1.21 -2.52 114.58 118.98 3kga h GLU 344 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kga h GLU 344 Cb 0.52 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kga h GLU 344 CO 0.02 0.79 0.00 -0.25 -1.00 0.00 0.00 179.01 178.57 3kga n ASP 345 N -4.47 4.18 -0.09 1.42 9.92 -0.02 -4.61 116.55 122.89 3kga n ASP 345 Ca 0.14 -2.42 0.13 0.00 -0.53 0.00 0.00 54.79 52.10 3kga n ASP 345 Cb 0.11 -0.54 0.51 0.00 -0.64 0.00 0.00 41.12 40.56 3kga n ASP 345 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 3kga h LYS 346 N 3.44 0.38 0.00 -1.24 2.10 -0.97 0.57 116.57 120.85 3kga h LYS 346 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3kga h LYS 346 Cb 1.32 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3kga h LYS 346 CO 0.22 0.25 0.00 0.39 -2.00 0.00 0.00 179.45 178.31 3kga n GLU 347 N -4.47 0.18 0.00 0.07 -0.58 -1.26 -2.15 120.64 112.43 3kga n GLU 347 Ca 0.10 0.15 0.04 0.00 -0.42 0.00 0.00 57.16 57.03 3kga n GLU 347 Cb 0.40 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3kga n GLU 347 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3kga n ARG 348 N -1.21 3.52 -0.33 3.49 0.63 0.19 -4.70 116.66 118.25 3kga n ARG 348 Ca 0.05 -0.18 0.14 0.00 -0.92 0.00 0.00 57.85 56.94 3kga n ARG 348 Cb 0.06 -0.95 0.33 0.00 0.45 0.00 0.00 32.46 32.35 3kga n ARG 348 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 3kga h TRP 349 N 0.32 0.90 -0.16 -0.14 -0.00 -1.46 -1.10 115.95 114.31 3kga h TRP 349 Ca 0.00 0.04 -0.12 0.00 -0.00 0.00 0.00 58.89 58.81 3kga h TRP 349 Cb 0.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 3kga h TRP 349 CO 0.00 0.09 -0.42 0.93 -0.00 0.00 0.00 178.44 179.05 3kga h GLU 350 N 0.58 0.37 -0.31 2.65 4.39 -1.84 0.46 114.58 120.88 3kga h GLU 350 Ca 0.58 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.94 3kga h GLU 350 Cb 1.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3kga h GLU 350 CO -0.45 0.72 -0.44 -0.44 -1.16 0.00 0.00 179.01 177.24 3kga h ASP 351 N 0.30 0.87 -0.09 1.42 3.32 -1.57 -0.09 116.42 120.60 3kga h ASP 351 Ca 0.03 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.66 3kga h ASP 351 Cb 0.86 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3kga h ASP 351 CO 0.07 1.19 0.03 0.58 -1.72 0.00 0.00 179.24 179.38 3kga h VAL 352 N 0.65 0.98 -0.81 -1.35 2.07 -0.54 0.28 116.25 117.52 3kga h VAL 352 Ca 0.04 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3kga h VAL 352 Cb 1.02 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3kga h VAL 352 CO 0.10 0.01 0.49 0.11 0.02 0.00 0.00 177.57 178.30 3kga h LYS 353 N 0.07 1.10 -0.36 1.57 1.57 -0.82 -1.67 116.57 118.04 3kga h LYS 353 Ca 0.04 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 3kga h LYS 353 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3kga h LYS 353 CO -0.04 0.77 -0.34 1.49 -0.57 0.00 0.00 179.45 180.75 3kga h GLU 354 N 1.12 0.81 -0.55 3.15 4.57 -0.44 -0.79 114.58 122.44 3kga h GLU 354 Ca 0.29 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 3kga h GLU 354 Cb -0.05 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3kga h GLU 354 CO -0.06 1.02 0.23 0.93 -1.18 0.00 0.00 179.01 179.96 3kga h GLU 355 N 0.67 0.81 -0.48 1.92 5.08 -0.17 -1.42 114.58 121.00 3kga h GLU 355 Ca 0.07 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3kga h GLU 355 Cb 0.89 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3kga h GLU 355 CO 0.08 0.70 0.05 1.98 -1.00 0.00 0.00 179.01 180.81 3kga h MET 356 N 0.75 0.82 -0.68 2.33 4.05 -1.05 -0.23 114.93 120.91 3kga h MET 356 Ca 0.18 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3kga h MET 356 Cb 0.18 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3kga h MET 356 CO -0.02 0.84 0.28 1.15 0.23 0.00 0.00 176.91 179.40 3kga h THR 357 N 0.69 1.24 -0.29 -0.77 2.02 -0.90 0.22 112.91 115.11 3kga h THR 357 Ca 0.14 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 3kga h THR 357 Cb 0.44 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3kga h THR 357 CO 0.02 0.30 -0.07 0.28 0.37 0.00 0.00 175.52 176.41 3kga h SER 358 N 0.96 0.57 -0.21 4.18 0.02 -1.12 -1.91 113.55 116.04 3kga h SER 358 Ca 0.23 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3kga h SER 358 Cb 0.20 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3kga h SER 358 CO -0.02 0.81 -0.02 0.00 -1.14 0.00 0.00 176.83 176.46 3kga h ALA 359 N 0.78 0.16 -1.00 3.77 0.00 -0.75 -1.74 119.26 120.49 3kga h ALA 359 Ca 0.07 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3kga h ALA 359 Cb 0.56 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3kga h ALA 359 CO 0.03 -0.45 0.64 -0.07 0.00 0.00 0.00 179.25 179.40 3kga h LEU 360 N 0.04 1.00 -1.68 0.00 3.38 -0.85 -0.78 115.31 116.42 3kga h LEU 360 Ca 0.10 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3kga h LEU 360 Cb 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3kga h LEU 360 CO -0.18 0.61 0.37 0.00 0.09 0.00 0.00 178.44 179.32 3kga h ALA 361 N 1.48 2.01 0.00 1.53 0.00 -0.49 -0.90 119.26 122.89 3kga h ALA 361 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kga h ALA 361 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kga h ALA 361 CO -0.20 -0.13 -0.63 0.25 0.00 0.00 0.00 179.25 178.54 3kga n THR 362 N -4.47 0.07 -0.11 0.00 -2.24 -0.35 -4.27 114.28 102.92 3kga n THR 362 Ca 0.08 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3kga n THR 362 Cb 0.34 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 3kga n THR 362 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3kga n MET 363 N -1.64 0.67 0.00 -0.78 2.81 -0.61 -5.12 117.12 112.45 3kga n MET 363 Ca 0.05 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3kga n MET 363 Cb 0.36 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3kga n MET 363 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37