#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkt s ILE 2 N 0.00 3.06 -0.50 2.02 1.01 -0.96 -4.65 121.20 121.18 2jkt s ILE 2 Ca 0.00 0.05 0.24 0.00 0.00 0.00 0.00 60.65 60.93 2jkt s ILE 2 Cb 0.00 -3.13 0.14 0.00 0.01 0.00 0.00 42.46 39.48 2jkt s ILE 2 CO 0.00 -0.11 1.39 1.23 0.00 0.00 0.00 174.94 177.44 2jkt h GLY 3 N 17.93 0.00 -2.27 6.18 0.00 -1.43 -3.29 103.07 120.18 2jkt h GLY 3 Ca -0.29 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.07 2jkt h GLY 3 CO 1.11 0.00 0.16 -0.32 0.00 0.00 0.00 176.54 177.49 2jkt s GLY 4 N -3.96 -0.12 -0.22 4.60 0.00 -0.58 0.56 107.32 107.61 2jkt s GLY 4 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 2jkt s GLY 4 CO 0.71 -0.13 0.51 -2.27 0.00 0.00 0.00 173.10 171.92 2jkt s LEU 5 N -2.90 -0.52 0.01 0.66 2.96 -0.38 -2.17 118.68 116.35 2jkt s LEU 5 Ca 0.10 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2jkt s LEU 5 Cb -0.04 1.72 -0.01 0.00 0.50 0.00 0.00 46.19 48.37 2jkt s LEU 5 CO 0.03 -0.22 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.45 2jkt s PHE 6 N 1.80 0.23 -0.08 5.38 0.08 0.32 -1.72 117.98 123.99 2jkt s PHE 6 Ca -0.08 -0.21 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 2jkt s PHE 6 Cb -0.08 -0.15 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 2jkt s PHE 6 CO -0.15 -0.06 -0.04 0.42 -0.10 0.00 0.00 175.22 175.28 2jkt s ILE 7 N -0.57 0.65 0.20 0.64 1.01 -0.66 -0.50 121.20 121.97 2jkt s ILE 7 Ca -0.05 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.59 2jkt s ILE 7 Cb -0.04 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2jkt s ILE 7 CO -0.00 0.29 -0.06 -0.31 0.00 0.00 0.00 174.94 174.85 2jkt s TYR 8 N 1.52 2.68 0.75 3.97 1.51 0.02 0.05 117.35 127.84 2jkt s TYR 8 Ca -0.01 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.79 2jkt s TYR 8 Cb -0.13 -1.28 0.11 0.00 -0.11 0.00 0.00 41.96 40.55 2jkt s TYR 8 CO -0.04 0.54 1.05 0.54 -1.11 0.00 0.00 175.55 176.53 2jkt s ASN 9 N -3.04 4.36 0.27 2.29 6.03 -0.99 -1.67 114.94 122.20 2jkt s ASN 9 Ca 0.27 0.09 -0.01 0.00 -1.03 0.00 0.00 52.86 52.18 2jkt s ASN 9 Cb -0.08 -0.55 0.61 0.00 -3.03 0.00 0.00 41.25 38.19 2jkt s ASN 9 CO 0.17 -1.87 1.65 1.12 -2.03 0.00 0.00 177.10 176.14 2jkt h HIS 10 N -0.72 0.25 0.00 1.54 2.07 -1.61 0.19 115.15 116.88 2jkt h HIS 10 Ca -0.41 0.05 -0.02 0.00 -2.85 0.00 0.00 60.37 57.14 2jkt h HIS 10 Cb 1.28 0.02 -0.00 0.00 2.57 0.00 0.00 27.41 31.28 2jkt h HIS 10 CO -0.14 -0.19 -0.09 0.87 -3.07 0.00 0.00 177.93 175.31 2jkt h LYS 11 N 0.20 0.00 0.00 5.12 1.57 -1.93 -3.46 116.57 118.07 2jkt h LYS 11 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2jkt h LYS 11 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2jkt h LYS 11 CO -0.63 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 178.75 2jkt n GLY 12 N -1.08 1.03 3.77 3.86 0.00 0.68 -5.05 105.19 108.39 2jkt n GLY 12 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2jkt n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkt s GLU 13 N -0.67 4.59 -0.25 1.61 2.02 -1.26 -4.84 118.70 119.90 2jkt s GLU 13 Ca 0.00 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.16 2jkt s GLU 13 Cb 0.00 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2jkt s GLU 13 CO 0.00 0.27 0.99 0.08 0.02 0.00 0.00 175.26 176.62 2jkt s VAL 14 N -1.47 4.69 -0.19 2.63 1.01 -1.26 -2.34 120.40 123.47 2jkt s VAL 14 Ca 0.48 1.87 -0.22 0.00 0.00 0.00 0.00 61.98 64.12 2jkt s VAL 14 Cb -0.22 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.69 2jkt s VAL 14 CO 0.28 -0.20 0.26 -0.07 0.00 0.00 0.00 175.10 175.37 2jkt h LEU 15 N 9.48 0.00 -8.19 3.92 3.38 -0.73 -3.49 115.31 119.69 2jkt h LEU 15 Ca -0.20 -0.54 -0.42 0.00 0.09 0.00 0.00 57.88 56.81 2jkt h LEU 15 Cb 1.07 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.55 2jkt h LEU 15 CO 0.96 1.37 -0.79 -0.63 0.09 0.00 0.00 178.44 179.45 2jkt s ILE 16 N -2.33 0.92 -0.08 1.22 1.01 -1.13 -4.98 121.20 115.84 2jkt s ILE 16 Ca -0.26 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 2jkt s ILE 16 Cb 0.04 -0.81 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2jkt s ILE 16 CO 0.58 0.09 0.16 -0.55 0.00 0.00 0.00 174.94 175.22 2jkt s SER 17 N -0.72 0.11 -0.22 3.58 0.15 -1.26 -1.65 113.70 113.69 2jkt s SER 17 Ca 0.02 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 2jkt s SER 17 Cb -0.06 0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 2jkt s SER 17 CO 0.00 -0.18 0.20 -0.13 1.20 0.00 0.00 173.24 174.33 2jkt s ARG 18 N 1.51 0.18 -0.15 5.44 1.81 -0.70 -5.01 118.95 122.04 2jkt s ARG 18 Ca -0.06 0.03 -0.10 0.00 -1.72 0.00 0.00 55.73 53.89 2jkt s ARG 18 Cb -0.12 -1.25 -0.05 0.00 -0.45 0.00 0.00 34.95 33.09 2jkt s ARG 18 CO -0.06 -0.74 0.19 0.08 -0.68 0.00 0.00 175.30 174.08 2jkt s VAL 19 N 2.27 5.40 -0.14 3.52 1.01 -1.26 -1.25 120.40 129.94 2jkt s VAL 19 Ca 0.07 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2jkt s VAL 19 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2jkt s VAL 19 CO -0.17 0.50 0.64 -1.22 0.00 0.00 0.00 175.10 174.86 2jkt n TYR 20 N 2.87 0.01 -3.64 5.22 4.02 0.19 -4.96 117.16 120.87 2jkt n TYR 20 Ca -0.16 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.90 57.54 2jkt n TYR 20 Cb 0.53 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 2jkt n TYR 20 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2jkt s ARG 21 N -0.29 0.61 0.62 -0.72 6.06 -1.20 -4.64 118.95 119.39 2jkt s ARG 21 Ca 0.02 0.92 0.30 0.00 -2.50 0.00 0.00 55.73 54.46 2jkt s ARG 21 Cb 0.01 0.20 1.59 0.00 0.06 0.00 0.00 34.95 36.81 2jkt s ARG 21 CO 0.02 -0.10 1.96 -0.44 -2.50 0.00 0.00 175.30 174.23 2jkt h ASP 22 N 5.83 0.00 -1.13 -2.12 3.32 -1.95 -3.05 116.42 117.33 2jkt h ASP 22 Ca -0.29 0.00 0.33 0.00 0.02 0.00 0.00 57.03 57.09 2jkt h ASP 22 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2jkt h ASP 22 CO 0.14 0.00 0.96 0.44 -1.72 0.00 0.00 179.24 179.06 2jkt h ASP 23 N 0.00 0.00 0.00 6.45 3.32 -1.96 -3.38 116.42 120.84 2jkt h ASP 23 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2jkt h ASP 23 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2jkt h ASP 23 CO -0.00 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.14 2jkt n ILE 24 N -3.80 0.00 -0.06 0.35 2.08 -1.15 -4.99 119.36 111.79 2jkt n ILE 24 Ca 0.25 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.56 2jkt n ILE 24 Cb 1.32 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 40.15 2jkt n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jkt n GLY 25 N 4.25 -3.54 0.43 7.39 0.00 -1.26 -4.32 105.19 108.14 2jkt n GLY 25 Ca 0.00 -1.90 0.22 0.00 0.00 0.00 0.00 46.02 44.34 2jkt n GLY 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jkt h ARG 26 N 0.00 0.00 0.00 1.61 9.65 -1.99 -3.11 114.38 120.54 2jkt h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jkt h ARG 26 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2jkt h ARG 26 CO 0.00 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.86 2jkt n ASN 27 N -3.45 0.00 -4.57 -3.80 3.02 -1.26 -3.76 115.26 101.44 2jkt n ASN 27 Ca 0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.42 2jkt n ASN 27 Cb 0.94 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.05 2jkt n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt s ALA 28 N -2.63 1.53 0.00 5.41 0.00 -1.17 -2.32 121.76 122.58 2jkt s ALA 28 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2jkt s ALA 28 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2jkt s ALA 28 CO 0.00 -5.31 0.00 1.55 0.00 0.00 0.00 175.76 172.00 2jkt n VAL 29 N 8.03 0.00 -0.01 0.00 3.14 -1.26 -4.78 118.33 123.46 2jkt n VAL 29 Ca 0.43 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.69 2jkt n VAL 29 Cb 0.46 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.26 2jkt n VAL 29 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2jkt h ASP 30 N 0.00 0.71 -0.50 6.55 3.58 -1.60 -2.10 116.42 123.06 2jkt h ASP 30 Ca 0.00 -0.40 0.10 0.00 0.42 0.00 0.00 57.03 57.15 2jkt h ASP 30 Cb 0.00 -0.20 -0.10 0.00 1.72 0.00 0.00 39.33 40.75 2jkt h ASP 30 CO 0.00 1.15 -0.14 0.00 -2.88 0.00 0.00 179.24 177.36 2jkt h ALA 31 N 0.86 0.30 -0.17 -0.78 0.00 -1.72 0.59 119.26 118.34 2jkt h ALA 31 Ca -0.01 0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2jkt h ALA 31 Cb 1.18 0.41 0.01 0.00 0.00 0.00 0.00 17.79 19.40 2jkt h ALA 31 CO 0.12 -0.46 -0.59 0.35 0.00 0.00 0.00 179.25 178.67 2jkt h PHE 32 N -0.02 0.92 0.38 0.00 3.57 -1.84 -3.10 116.94 116.84 2jkt h PHE 32 Ca 0.24 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2jkt h PHE 32 Cb 0.39 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2jkt h PHE 32 CO -0.44 1.18 -0.33 -0.09 -2.23 0.00 0.00 178.31 176.41 2jkt h ARG 33 N 0.39 -0.69 -0.35 1.11 2.43 -0.62 0.31 114.38 116.96 2jkt h ARG 33 Ca -0.03 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2jkt h ARG 33 Cb 1.22 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2jkt h ARG 33 CO 0.12 -0.46 0.00 1.55 -1.51 0.00 0.00 179.97 179.67 2jkt n VAL 34 N -5.45 0.47 0.00 0.20 3.14 0.12 -0.28 118.33 116.54 2jkt n VAL 34 Ca -0.10 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2jkt n VAL 34 Cb 0.35 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 2jkt n VAL 34 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jkt n ASN 35 N 0.45 2.14 -0.05 6.55 3.02 -1.09 -4.63 115.26 121.65 2jkt n ASN 35 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.55 2jkt n ASN 35 Cb 0.29 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 2jkt n ASN 35 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jkt n VAL 36 N -1.03 0.85 -0.03 2.41 0.31 0.11 -4.36 118.33 116.58 2jkt n VAL 36 Ca 0.00 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.15 2jkt n VAL 36 Cb 0.17 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 2jkt n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jkt h ILE 37 N -0.45 1.17 -1.44 2.52 2.04 -1.12 -2.97 117.51 117.28 2jkt h ILE 37 Ca -0.24 -0.53 -0.63 0.00 1.00 0.00 0.00 64.86 64.46 2jkt h ILE 37 Cb 1.07 1.29 -0.23 0.00 -0.74 0.00 0.00 36.82 38.22 2jkt h ILE 37 CO -0.14 0.16 0.75 1.41 0.00 0.00 0.00 178.15 180.32 2jkt n HIS 38 N -4.87 2.39 -2.66 1.37 8.25 0.62 -4.97 115.22 115.34 2jkt n HIS 38 Ca -0.05 -2.23 -0.39 0.00 -0.26 0.00 0.00 57.72 54.79 2jkt n HIS 38 Cb 0.13 -1.27 -0.05 0.00 1.12 0.00 0.00 29.99 29.92 2jkt n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jkt s ALA 39 N -3.02 3.28 0.00 -1.41 0.00 -1.12 -4.54 121.76 114.95 2jkt s ALA 39 Ca 0.54 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2jkt s ALA 39 Cb 0.41 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2jkt s ALA 39 CO -0.27 0.05 0.00 0.54 0.00 0.00 0.00 175.76 176.08 2jkt n ARG 40 N 0.92 0.00 0.09 0.00 1.74 -1.26 -4.84 116.66 113.31 2jkt n ARG 40 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2jkt n ARG 40 Cb 0.48 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.21 2jkt n ARG 40 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2jkt h GLN 41 N 0.00 0.00 -6.33 5.56 4.20 -1.95 -3.46 115.11 113.13 2jkt h GLN 41 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2jkt h GLN 41 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jkt h GLN 41 CO 0.00 0.00 0.75 -1.14 -0.67 0.00 0.00 178.83 177.77 2jkt s GLN 42 N -3.14 4.32 -0.49 1.46 2.00 -1.26 -4.99 119.66 117.57 2jkt s GLN 42 Ca 0.08 1.77 -0.28 0.00 -2.00 0.00 0.00 55.36 54.94 2jkt s GLN 42 Cb 0.13 -3.57 0.03 0.00 0.80 0.00 0.00 33.01 30.39 2jkt s GLN 42 CO 0.66 -0.50 1.08 0.14 -0.50 0.00 0.00 175.29 176.17 2jkt s VAL 43 N 2.33 4.26 0.62 1.34 -7.23 -1.26 -4.92 120.40 115.53 2jkt s VAL 43 Ca 0.58 1.02 -0.19 0.00 -1.81 0.00 0.00 61.98 61.59 2jkt s VAL 43 Cb -0.27 -4.57 -0.02 0.00 0.56 0.00 0.00 36.38 32.08 2jkt s VAL 43 CO 0.23 -1.01 1.31 -0.13 -0.31 0.00 0.00 175.10 175.19 2jkt s ARG 44 N 4.31 2.73 0.07 4.82 0.52 -1.26 -5.05 118.95 125.09 2jkt s ARG 44 Ca 0.44 2.11 0.02 0.00 -0.52 0.00 0.00 55.73 57.77 2jkt s ARG 44 Cb -0.08 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2jkt s ARG 44 CO 0.29 -1.47 -0.07 -1.12 0.02 0.00 0.00 175.30 172.96 2jkt s SER 45 N -1.27 0.98 0.17 0.23 0.01 -1.26 -5.09 113.70 107.46 2jkt s SER 45 Ca 0.79 -0.80 -0.14 0.00 1.31 0.00 0.00 55.95 57.12 2jkt s SER 45 Cb -0.38 0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.05 2jkt s SER 45 CO 0.42 -0.35 1.75 -0.65 0.41 0.00 0.00 173.24 174.81 2jkt h PRO 46 N 3.68 0.30 -5.28 12.44 0.11 -1.94 -3.38 132.00 137.92 2jkt h PRO 46 Ca -0.35 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.09 2jkt h PRO 46 Cb 1.18 -0.07 -0.24 0.00 0.11 0.00 0.00 31.00 31.98 2jkt h PRO 46 CO 0.54 0.20 -0.71 0.54 -0.21 0.00 0.00 178.00 178.36 2jkt s VAL 47 N -6.14 3.52 -0.03 3.15 0.11 -1.26 -2.53 120.40 117.22 2jkt s VAL 47 Ca -0.13 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2jkt s VAL 47 Cb 0.14 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.48 2jkt s VAL 47 CO 0.72 0.50 -0.05 0.42 -3.33 0.00 0.00 175.10 173.37 2jkt s THR 48 N 0.44 0.49 -0.06 5.04 -4.23 -1.07 -4.97 115.64 111.29 2jkt s THR 48 Ca -0.06 -0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 2jkt s THR 48 Cb -0.15 -0.50 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 2jkt s THR 48 CO 0.04 0.20 0.36 0.21 -0.54 0.00 0.00 174.62 174.88 2jkt s ASN 49 N 0.65 6.68 -0.34 3.99 3.84 -1.26 -1.58 114.94 126.92 2jkt s ASN 49 Ca -0.08 0.80 0.00 0.00 0.21 0.00 0.00 52.86 53.79 2jkt s ASN 49 Cb -0.12 -2.22 0.14 0.00 -0.55 0.00 0.00 41.25 38.50 2jkt s ASN 49 CO 0.00 0.26 0.25 -0.63 -2.79 0.00 0.00 177.10 174.19 2jkt s ILE 50 N -0.60 -0.08 -0.16 -5.21 1.01 -0.24 -4.93 121.20 111.00 2jkt s ILE 50 Ca 0.22 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2jkt s ILE 50 Cb -0.15 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2jkt s ILE 50 CO 0.10 -0.79 0.14 0.00 0.00 0.00 0.00 174.94 174.39 2jkt n ALA 51 N 4.41 -0.65 -1.72 9.38 0.00 -1.26 -3.65 120.51 127.01 2jkt n ALA 51 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2jkt n ALA 51 Cb 0.41 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2jkt n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jkt n ARG 52 N -1.67 -1.69 -4.55 0.00 1.74 -1.26 -4.92 116.66 104.31 2jkt n ARG 52 Ca -0.02 0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 57.24 2jkt n ARG 52 Cb 0.52 -4.80 -0.17 0.00 -1.02 0.00 0.00 32.46 27.00 2jkt n ARG 52 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jkt s THR 53 N -2.01 1.62 0.01 0.55 2.01 -1.24 -4.85 115.64 111.74 2jkt s THR 53 Ca 0.00 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2jkt s THR 53 Cb 0.00 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 2jkt s THR 53 CO 0.00 0.46 0.37 -0.44 -0.69 0.00 0.00 174.62 174.33 2jkt s SER 54 N 0.90 6.70 -0.30 3.53 0.01 -0.64 -1.08 113.70 122.82 2jkt s SER 54 Ca -0.08 0.84 0.01 0.00 1.31 0.00 0.00 55.95 58.03 2jkt s SER 54 Cb -0.15 -2.20 0.09 0.00 0.21 0.00 0.00 66.02 63.97 2jkt s SER 54 CO -0.01 0.28 0.07 -0.36 0.41 0.00 0.00 173.24 173.63 2jkt s PHE 55 N -1.19 2.29 -0.03 2.43 0.40 -0.61 -2.15 117.98 119.12 2jkt s PHE 55 Ca 0.26 -2.03 -0.29 0.00 -0.60 0.00 0.00 56.93 54.27 2jkt s PHE 55 Cb -0.15 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2jkt s PHE 55 CO 0.14 -0.87 0.93 -0.06 0.70 0.00 0.00 175.22 176.06 2jkt s PHE 56 N 1.42 3.63 0.04 0.36 0.40 -0.74 -2.58 117.98 120.51 2jkt s PHE 56 Ca 0.08 1.60 -0.01 0.00 -0.60 0.00 0.00 56.93 58.00 2jkt s PHE 56 Cb -0.18 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 2jkt s PHE 56 CO -0.18 -0.02 -0.02 -3.38 0.70 0.00 0.00 175.22 172.32 2jkt s HIS 57 N 1.09 0.44 -0.03 0.36 -3.43 -1.05 0.08 115.29 112.75 2jkt s HIS 57 Ca 0.49 -0.91 -0.04 0.00 -0.80 0.00 0.00 55.06 53.80 2jkt s HIS 57 Cb -0.20 -0.32 0.01 0.00 -1.43 0.00 0.00 32.58 30.63 2jkt s HIS 57 CO 0.25 -0.34 0.11 0.14 -2.00 0.00 0.00 174.74 172.90 2jkt s VAL 58 N -3.28 0.01 0.08 -5.38 -7.23 -0.42 -4.86 120.40 99.32 2jkt s VAL 58 Ca 0.01 -0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 59.96 2jkt s VAL 58 Cb 0.03 -0.20 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 2jkt s VAL 58 CO -0.08 -0.07 0.40 -0.54 -0.31 0.00 0.00 175.10 174.51 2jkt s LYS 59 N -0.18 3.76 0.00 4.82 -0.14 -1.26 -1.48 119.74 125.27 2jkt s LYS 59 Ca -0.02 0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 2jkt s LYS 59 Cb -0.02 -2.99 -0.00 0.00 -1.68 0.00 0.00 37.83 33.14 2jkt s LYS 59 CO 0.00 0.56 -0.00 -2.13 -0.76 0.00 0.00 175.35 173.02 2jkt n ARG 60 N 0.88 0.00 0.00 1.68 3.00 -0.67 -4.98 116.66 116.57 2jkt n ARG 60 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2jkt n ARG 60 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 32.46 32.91 2jkt n ARG 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jkt n SER 61 N -2.57 0.00 -1.30 6.15 7.64 -1.26 -4.82 113.62 117.46 2jkt n SER 61 Ca -0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2jkt n SER 61 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2jkt n SER 61 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jkt n ASN 62 N 0.00 3.11 -4.21 6.43 3.02 -1.26 -4.82 115.26 117.52 2jkt n ASN 62 Ca 0.00 -2.46 -0.33 0.00 -0.03 0.00 0.00 54.58 51.76 2jkt n ASN 62 Cb 0.00 -0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 2jkt n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jkt s ILE 63 N -1.08 2.53 0.26 2.41 1.09 -1.26 -1.45 121.20 123.70 2jkt s ILE 63 Ca 0.17 -0.80 -0.25 0.00 -1.10 0.00 0.00 60.65 58.68 2jkt s ILE 63 Cb 0.14 -2.08 -0.09 0.00 -1.06 0.00 0.00 42.46 39.37 2jkt s ILE 63 CO 0.04 0.51 0.87 0.26 -0.10 0.00 0.00 174.94 176.51 2jkt s TRP 64 N 1.11 3.76 -0.18 3.97 0.52 -0.67 -1.68 118.94 125.77 2jkt s TRP 64 Ca 0.00 1.69 -0.10 0.00 0.02 0.00 0.00 56.10 57.71 2jkt s TRP 64 Cb -0.14 -2.84 0.06 0.00 -1.15 0.00 0.00 33.47 29.40 2jkt s TRP 64 CO -0.05 0.32 0.43 -0.48 0.02 0.00 0.00 176.95 177.19 2jkt s LEU 65 N -1.77 -0.12 -0.01 2.99 2.34 -0.55 -0.80 118.68 120.76 2jkt s LEU 65 Ca 0.45 0.93 0.01 0.00 0.06 0.00 0.00 54.13 55.58 2jkt s LEU 65 Cb -0.20 1.43 0.01 0.00 -0.56 0.00 0.00 46.19 46.87 2jkt s LEU 65 CO 0.25 -0.19 -0.02 0.00 -1.06 0.00 0.00 176.35 175.32 2jkt s ALA 66 N 1.33 0.31 -0.05 1.48 0.00 0.34 -1.31 121.76 123.86 2jkt s ALA 66 Ca -0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 2jkt s ALA 66 Cb -0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2jkt s ALA 66 CO -0.12 0.01 0.24 0.00 0.00 0.00 0.00 175.76 175.89 2jkt s ALA 67 N 0.37 3.84 -0.02 0.00 0.00 0.11 -0.52 121.76 125.53 2jkt s ALA 67 Ca -0.04 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2jkt s ALA 67 Cb -0.06 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2jkt s ALA 67 CO -0.01 0.61 -0.21 0.08 0.00 0.00 0.00 175.76 176.23 2jkt s VAL 68 N -1.15 2.46 0.02 0.00 1.01 -0.92 -1.79 120.40 120.02 2jkt s VAL 68 Ca 0.22 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2jkt s VAL 68 Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2jkt s VAL 68 CO 0.11 0.55 0.06 0.28 0.00 0.00 0.00 175.10 176.09 2jkt s THR 69 N -0.69 0.11 -1.92 3.92 -1.32 -0.91 -1.07 115.64 113.74 2jkt s THR 69 Ca 0.11 -0.88 0.19 0.00 -1.21 0.00 0.00 61.69 59.89 2jkt s THR 69 Cb -0.10 -0.47 0.05 0.00 -1.51 0.00 0.00 72.50 70.47 2jkt s THR 69 CO 0.00 -0.49 0.99 1.17 -2.21 0.00 0.00 174.62 174.09 2jkt n LYS 70 N 1.35 1.58 -2.87 7.08 4.81 -1.26 -1.62 118.16 127.24 2jkt n LYS 70 Ca -0.22 -1.15 -0.19 0.00 -0.87 0.00 0.00 58.31 55.87 2jkt n LYS 70 Cb 0.56 -1.35 0.04 0.00 0.02 0.00 0.00 35.03 34.30 2jkt n LYS 70 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2jkt s GLN 71 N -1.91 2.50 -1.27 1.64 1.11 -1.26 -4.90 119.66 115.57 2jkt s GLN 71 Ca 0.18 -1.20 -0.08 0.00 0.01 0.00 0.00 55.36 54.26 2jkt s GLN 71 Cb 0.15 -2.62 0.17 0.00 -1.01 0.00 0.00 33.01 29.71 2jkt s GLN 71 CO 0.38 -0.65 1.90 -1.71 0.01 0.00 0.00 175.29 175.22 2jkt n ASN 72 N -2.18 5.50 -4.78 5.90 4.05 -1.26 -4.87 115.26 117.63 2jkt n ASN 72 Ca 0.11 -3.14 -0.30 0.00 0.45 0.00 0.00 54.58 51.69 2jkt n ASN 72 Cb 0.60 -1.45 0.10 0.00 1.23 0.00 0.00 39.78 40.27 2jkt n ASN 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2jkt s VAL 73 N -0.06 2.97 -0.49 3.44 -7.23 -1.26 -4.94 120.40 112.82 2jkt s VAL 73 Ca 0.40 0.31 -0.27 0.00 -1.81 0.00 0.00 61.98 60.61 2jkt s VAL 73 Cb 0.10 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2jkt s VAL 73 CO 0.00 -0.41 1.74 0.21 -0.31 0.00 0.00 175.10 176.33 2jkt s ASN 74 N -3.74 5.69 0.11 4.85 3.84 -1.26 -4.87 114.94 119.56 2jkt s ASN 74 Ca 0.62 0.69 -0.23 0.00 0.21 0.00 0.00 52.86 54.14 2jkt s ASN 74 Cb -0.16 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 37.93 2jkt s ASN 74 CO 0.55 -1.98 1.69 0.00 -2.79 0.00 0.00 177.10 174.57 2jkt h ALA 75 N 13.34 -0.12 -0.74 1.71 0.00 -2.01 -2.13 119.26 129.31 2jkt h ALA 75 Ca -0.29 0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.80 2jkt h ALA 75 Cb 1.15 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 2jkt h ALA 75 CO 1.14 -0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.86 2jkt h ALA 76 N 0.78 0.84 -0.54 0.00 0.00 -2.02 -2.53 119.26 115.80 2jkt h ALA 76 Ca 0.04 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2jkt h ALA 76 Cb 0.24 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2jkt h ALA 76 CO -0.11 -0.40 0.24 1.98 0.00 0.00 0.00 179.25 180.96 2jkt h MET 77 N 0.16 0.44 0.00 0.00 -1.53 -1.79 -2.11 114.93 110.11 2jkt h MET 77 Ca 0.41 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.60 2jkt h MET 77 Cb 0.72 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 2jkt h MET 77 CO -0.60 0.29 -0.22 0.28 0.14 0.00 0.00 176.91 176.80 2jkt h VAL 78 N 0.46 1.11 -0.09 -5.77 2.07 -1.40 0.45 116.25 113.08 2jkt h VAL 78 Ca 0.25 -0.78 -0.16 0.00 0.82 0.00 0.00 66.70 66.82 2jkt h VAL 78 Cb 0.22 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2jkt h VAL 78 CO -0.21 0.22 -0.57 -0.26 0.02 0.00 0.00 177.57 176.77 2jkt h PHE 79 N 0.00 0.75 -0.95 1.57 0.05 -1.48 -0.42 116.94 116.46 2jkt h PHE 79 Ca -0.00 -0.34 0.05 0.00 3.82 0.00 0.00 57.97 61.49 2jkt h PHE 79 Cb 0.41 -0.11 -0.06 0.00 2.00 0.00 0.00 35.95 38.19 2jkt h PHE 79 CO 0.00 1.14 0.62 0.93 -0.18 0.00 0.00 178.31 180.82 2jkt h GLU 80 N 0.15 1.13 -0.09 1.51 4.39 -0.57 0.67 114.58 121.77 2jkt h GLU 80 Ca -0.05 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2jkt h GLU 80 Cb 1.22 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2jkt h GLU 80 CO 0.12 0.75 -0.08 0.35 -1.16 0.00 0.00 179.01 178.98 2jkt h PHE 81 N 1.16 0.26 -0.22 4.33 3.57 -0.17 -2.65 116.94 123.23 2jkt h PHE 81 Ca 0.39 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.84 2jkt h PHE 81 Cb 0.08 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2jkt h PHE 81 CO -0.00 0.63 0.15 -0.07 -2.23 0.00 0.00 178.31 176.79 2jkt h LEU 82 N -0.19 0.14 0.39 0.59 3.38 0.07 -0.25 115.31 119.45 2jkt h LEU 82 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2jkt h LEU 82 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jkt h LEU 82 CO 0.02 0.10 -0.19 1.88 0.09 0.00 0.00 178.44 180.34 2jkt h TYR 83 N 0.17 -0.49 -0.55 1.13 0.05 0.33 -3.04 116.97 114.57 2jkt h TYR 83 Ca 0.09 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.97 2jkt h TYR 83 Cb 0.16 0.16 -0.09 0.00 1.01 0.00 0.00 36.73 37.97 2jkt h TYR 83 CO -0.00 -0.16 0.00 -0.22 -1.05 0.00 0.00 178.16 176.73 2jkt h LYS 84 N -0.88 0.12 0.00 4.88 3.64 -1.03 -0.39 116.57 122.90 2jkt h LYS 84 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jkt h LYS 84 Cb 0.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2jkt h LYS 84 CO 0.09 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 2jkt h MET 85 N 0.12 0.00 0.01 1.90 -0.00 -1.07 0.96 114.93 116.85 2jkt h MET 85 Ca 0.28 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.68 2jkt h MET 85 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.98 2jkt h MET 85 CO -0.46 0.00 -1.72 0.00 -0.00 0.00 0.00 176.91 174.73 2jkt h ASP 87 N 0.01 0.05 -0.54 0.00 3.32 -0.31 -0.79 116.42 118.15 2jkt h ASP 87 Ca -0.29 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.45 2jkt h ASP 87 Cb 2.01 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 41.49 2jkt h ASP 87 CO 0.08 0.41 0.22 0.58 -1.72 0.00 0.00 179.24 178.81 2jkt h VAL 88 N -0.32 0.84 -0.01 -1.35 2.07 -1.33 -0.88 116.25 115.28 2jkt h VAL 88 Ca 0.01 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2jkt h VAL 88 Cb 0.39 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2jkt h VAL 88 CO 0.00 0.08 -0.17 -0.03 0.02 0.00 0.00 177.57 177.47 2jkt h MET 89 N 0.41 0.01 0.00 1.57 -1.53 -1.40 -0.27 114.93 113.72 2jkt h MET 89 Ca 0.26 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.52 2jkt h MET 89 Cb 0.26 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 2jkt h MET 89 CO -0.24 0.19 -0.52 0.00 0.14 0.00 0.00 176.91 176.47 2jkt n ALA 90 N -2.51 3.12 0.17 0.39 0.00 -0.33 -2.74 120.51 118.61 2jkt n ALA 90 Ca -0.02 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.19 2jkt n ALA 90 Cb 0.24 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.67 2jkt n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt h ALA 91 N 2.74 0.80 0.00 0.00 0.00 0.35 -0.20 119.26 122.95 2jkt h ALA 91 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jkt h ALA 91 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jkt h ALA 91 CO 0.00 0.47 -1.72 0.66 0.00 0.00 0.00 179.25 178.66 2jkt n TYR 92 N -3.27 0.29 -2.63 0.00 4.02 -0.95 -4.75 117.16 109.88 2jkt n TYR 92 Ca 0.02 0.08 -0.02 0.00 -0.01 0.00 0.00 57.90 57.97 2jkt n TYR 92 Cb 0.63 -0.65 0.10 0.00 -0.02 0.00 0.00 39.34 39.41 2jkt n TYR 92 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2jkt n PHE 93 N -2.40 -1.67 0.00 -0.72 1.16 -1.11 -4.37 117.46 108.35 2jkt n PHE 93 Ca -0.04 -1.39 0.00 0.00 -1.87 0.00 0.00 57.45 54.16 2jkt n PHE 93 Cb 0.58 1.37 0.00 0.00 -1.61 0.00 0.00 39.48 39.82 2jkt n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jkt n GLY 94 N -1.25 3.36 3.66 4.97 0.00 -0.09 -4.53 105.19 111.31 2jkt n GLY 94 Ca -0.15 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2jkt n GLY 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jkt n LYS 95 N 14.00 1.91 -1.34 1.61 3.00 -1.26 -4.22 118.16 131.85 2jkt n LYS 95 Ca 0.00 0.67 -0.25 0.00 -0.00 0.00 0.00 58.31 58.73 2jkt n LYS 95 Cb 0.00 -2.25 -0.02 0.00 0.00 0.00 0.00 35.03 32.76 2jkt n LYS 95 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2jkt n ILE 96 N 1.05 3.20 -1.88 3.15 -0.00 -1.26 -4.83 119.36 118.80 2jkt n ILE 96 Ca 0.09 -2.69 -0.29 0.00 -0.00 0.00 0.00 62.75 59.86 2jkt n ILE 96 Cb 0.33 -1.49 0.08 0.00 -0.00 0.00 0.00 39.64 38.55 2jkt n ILE 96 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2jkt s SER 97 N 0.14 4.81 0.55 7.28 1.04 -1.26 -4.60 113.70 121.65 2jkt s SER 97 Ca 0.52 0.92 0.31 0.00 0.48 0.00 0.00 55.95 58.17 2jkt s SER 97 Cb 0.36 -1.52 1.59 0.00 0.10 0.00 0.00 66.02 66.54 2jkt s SER 97 CO -0.16 -1.73 2.10 -0.08 0.98 0.00 0.00 173.24 174.35 2jkt h GLU 98 N -0.93 0.00 0.32 4.02 4.81 -1.94 -2.78 114.58 118.09 2jkt h GLU 98 Ca -0.46 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2jkt h GLU 98 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2jkt h GLU 98 CO 0.65 0.08 -0.16 1.49 -0.73 0.00 0.00 179.01 180.35 2jkt h GLU 99 N 0.00 -0.42 0.00 1.92 4.57 -1.97 -2.89 114.58 115.79 2jkt h GLU 99 Ca -0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2jkt h GLU 99 Cb 0.32 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2jkt h GLU 99 CO 0.01 -0.10 -0.04 -0.91 -1.18 0.00 0.00 179.01 176.80 2jkt h ASN 100 N -0.94 0.00 0.38 1.04 -0.26 -1.82 -2.02 115.58 111.97 2jkt h ASN 100 Ca -0.04 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.38 2jkt h ASN 100 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2jkt h ASN 100 CO 0.07 0.04 -1.65 0.40 -1.06 0.00 0.00 177.43 175.23 2jkt h ILE 101 N 0.00 1.00 -0.00 2.81 2.04 -1.60 -3.19 117.51 118.57 2jkt h ILE 101 Ca -0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 2jkt h ILE 101 Cb 0.17 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2jkt h ILE 101 CO 0.00 0.79 0.00 0.11 0.00 0.00 0.00 178.15 179.06 2jkt h LYS 102 N 0.06 0.00 -0.30 2.37 1.57 -1.15 -2.62 116.57 116.51 2jkt h LYS 102 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2jkt h LYS 102 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2jkt h LYS 102 CO 0.14 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.11 2jkt n ASN 103 N -3.40 2.81 -0.79 0.86 4.13 -0.95 -4.41 115.26 113.50 2jkt n ASN 103 Ca -0.03 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.33 2jkt n ASN 103 Cb 0.08 -0.19 -0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2jkt n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jkt n ASN 104 N 1.08 0.13 -0.32 6.41 4.13 -0.99 -4.71 115.26 120.99 2jkt n ASN 104 Ca 0.18 -1.80 0.04 0.00 1.68 0.00 0.00 54.58 54.68 2jkt n ASN 104 Cb 0.51 -0.13 0.10 0.00 -1.54 0.00 0.00 39.78 38.72 2jkt n ASN 104 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jkt n PHE 105 N 0.12 0.24 0.36 3.10 3.72 -1.20 -0.94 117.46 122.85 2jkt n PHE 105 Ca -0.02 1.08 -0.14 0.00 -0.05 0.00 0.00 57.45 58.32 2jkt n PHE 105 Cb 0.77 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 2jkt n PHE 105 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2jkt h VAL 106 N 0.00 0.00 -0.84 -4.37 -1.51 -1.92 -0.39 116.25 107.22 2jkt h VAL 106 Ca 0.39 -0.07 0.19 0.00 -1.23 0.00 0.00 66.70 65.99 2jkt h VAL 106 Cb 0.61 0.00 -0.15 0.00 -2.13 0.00 0.00 31.29 29.62 2jkt h VAL 106 CO -0.90 0.00 -0.07 0.25 -1.23 0.00 0.00 177.57 175.62 2jkt h LEU 107 N -1.00 -0.54 0.45 4.19 5.85 -1.62 -0.53 115.31 122.11 2jkt h LEU 107 Ca -0.10 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2jkt h LEU 107 Cb 0.71 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2jkt h LEU 107 CO 0.16 -0.25 -0.22 0.40 -0.34 0.00 0.00 178.44 178.19 2jkt h ILE 108 N 0.05 0.40 -0.70 4.05 2.04 -0.98 0.20 117.51 122.56 2jkt h ILE 108 Ca 0.45 -0.51 0.17 0.00 1.00 0.00 0.00 64.86 65.97 2jkt h ILE 108 Cb 0.79 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2jkt h ILE 108 CO -0.80 0.07 0.49 1.88 0.00 0.00 0.00 178.15 179.79 2jkt h TYR 109 N -0.97 0.24 0.07 1.37 0.05 -0.55 0.12 116.97 117.31 2jkt h TYR 109 Ca -0.06 0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.46 2jkt h TYR 109 Cb 0.58 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 2jkt h TYR 109 CO 0.02 0.08 -1.30 1.49 -1.05 0.00 0.00 178.16 177.40 2jkt h GLU 110 N 0.20 0.15 -0.84 4.88 4.81 -1.04 -3.13 114.58 119.62 2jkt h GLU 110 Ca 0.34 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2jkt h GLU 110 Cb 1.06 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2jkt h GLU 110 CO -0.06 1.05 0.39 1.25 -0.73 0.00 0.00 179.01 180.90 2jkt h LEU 111 N 0.04 1.10 0.51 1.64 7.12 0.18 -3.25 115.31 122.66 2jkt h LEU 111 Ca -0.14 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.70 2jkt h LEU 111 Cb 1.93 -0.28 0.01 0.00 -0.53 0.00 0.00 40.66 41.78 2jkt h LEU 111 CO 0.16 0.94 -0.25 -0.07 -0.13 0.00 0.00 178.44 179.09 2jkt h LEU 112 N 1.20 -0.58 -3.90 2.25 3.38 -0.91 -2.59 115.31 114.15 2jkt h LEU 112 Ca 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2jkt h LEU 112 Cb 0.14 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jkt h LEU 112 CO -0.03 -0.33 0.05 0.47 0.09 0.00 0.00 178.44 178.68 2jkt n ASP 113 N -5.34 1.82 0.00 -0.43 10.43 -1.19 -1.46 116.55 120.39 2jkt n ASP 113 Ca -0.12 -1.57 0.00 0.00 2.57 0.00 0.00 54.79 55.67 2jkt n ASP 113 Cb 0.31 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.86 2jkt n ASP 113 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2jkt n GLU 114 N 2.07 0.00 -0.19 -1.24 4.07 -1.10 -4.82 120.64 119.43 2jkt n GLU 114 Ca 0.04 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.23 2jkt n GLU 114 Cb 0.21 -0.07 0.27 0.00 -0.06 0.00 0.00 31.44 31.78 2jkt n GLU 114 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2jkt n ILE 115 N -0.67 0.49 -3.15 6.31 0.13 -0.54 -4.73 119.36 117.20 2jkt n ILE 115 Ca 0.00 -0.59 0.05 0.00 -1.10 0.00 0.00 62.75 61.11 2jkt n ILE 115 Cb 0.00 0.49 -0.02 0.00 -0.84 0.00 0.00 39.64 39.28 2jkt n ILE 115 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2jkt s LEU 116 N -1.28 -0.57 -0.23 9.51 2.96 -1.02 -2.36 118.68 125.69 2jkt s LEU 116 Ca 0.34 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2jkt s LEU 116 Cb 0.19 1.48 0.01 0.00 0.50 0.00 0.00 46.19 48.37 2jkt s LEU 116 CO 0.26 -0.11 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.49 2jkt s ASP 117 N 2.93 4.18 -1.50 3.68 2.15 -0.32 -4.48 116.67 123.31 2jkt s ASP 117 Ca 0.02 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.32 2jkt s ASP 117 Cb -0.11 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2jkt s ASP 117 CO -0.12 -0.08 0.00 0.33 -0.17 0.00 0.00 175.17 175.13 2jkt n PHE 118 N 4.71 -0.24 -0.24 -5.34 7.35 -1.26 -1.72 117.46 120.72 2jkt n PHE 118 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2jkt n PHE 118 Cb 0.49 -2.83 0.00 0.00 0.35 0.00 0.00 39.48 37.49 2jkt n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jkt n GLY 119 N -1.08 0.95 3.66 7.13 0.00 -1.24 -4.55 105.19 110.06 2jkt n GLY 119 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2jkt n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkt s TYR 120 N -2.65 3.37 0.54 1.61 4.12 -0.70 -2.28 117.35 121.36 2jkt s TYR 120 Ca 0.00 0.94 -0.21 0.00 0.02 0.00 0.00 57.07 57.82 2jkt s TYR 120 Cb 0.00 -2.81 -0.05 0.00 -1.52 0.00 0.00 41.96 37.58 2jkt s TYR 120 CO 0.00 -0.19 1.25 -1.25 0.02 0.00 0.00 175.55 175.38 2jkt s PRO 121 N 1.95 3.24 -0.10 -1.71 0.04 -1.26 -1.17 135.00 135.98 2jkt s PRO 121 Ca 0.29 1.96 0.18 0.00 0.04 0.00 0.00 61.00 63.47 2jkt s PRO 121 Cb -0.16 -2.17 0.41 0.00 0.04 0.00 0.00 34.50 32.62 2jkt s PRO 121 CO 0.10 -1.02 1.19 0.94 0.04 0.00 0.00 177.00 178.25 2jkt n GLN 122 N -1.09 0.80 -2.43 4.56 -0.06 -0.99 -4.87 117.38 113.29 2jkt n GLN 122 Ca 0.11 -2.62 -0.01 0.00 -2.00 0.00 0.00 57.00 52.48 2jkt n GLN 122 Cb 0.48 -0.83 -0.01 0.00 -4.06 0.00 0.00 30.24 25.81 2jkt n GLN 122 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jkt n ASN 123 N -0.35 -4.57 0.00 1.69 6.94 -1.26 -4.85 115.26 112.86 2jkt n ASN 123 Ca 0.12 1.35 0.00 0.00 -0.02 0.00 0.00 54.58 56.04 2jkt n ASN 123 Cb 0.90 -3.48 0.00 0.00 -2.36 0.00 0.00 39.78 34.84 2jkt n ASN 123 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2jkt n SER 124 N 2.00 0.00 -0.73 0.53 2.88 -1.26 -4.95 113.62 112.09 2jkt n SER 124 Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 2jkt n SER 124 Cb 0.13 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 2jkt n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkt n GLU 125 N 0.00 -0.66 -0.83 -1.46 1.02 -1.26 -2.95 120.64 114.50 2jkt n GLU 125 Ca 0.00 0.83 -0.04 0.00 -0.02 0.00 0.00 57.16 57.93 2jkt n GLU 125 Cb 0.00 -4.73 -0.02 0.00 -0.02 0.00 0.00 31.44 26.67 2jkt n GLU 125 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jkt n THR 126 N -2.75 0.00 -2.15 2.62 -1.04 -1.26 -4.88 114.28 104.83 2jkt n THR 126 Ca -0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 2jkt n THR 126 Cb 0.32 -0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 2jkt n THR 126 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jkt s GLY 127 N -1.40 1.09 -1.25 3.41 0.00 -1.15 -3.43 107.32 104.59 2jkt s GLY 127 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2jkt s GLY 127 CO 0.00 3.00 0.00 0.00 0.00 0.00 0.00 173.10 176.10 2jkt n ALA 128 N 8.98 -0.34 0.47 3.20 0.00 -1.26 -4.79 120.51 126.77 2jkt n ALA 128 Ca 0.19 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.92 2jkt n ALA 128 Cb 0.46 -1.37 0.46 0.00 0.00 0.00 0.00 19.45 19.01 2jkt n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jkt n LEU 129 N -2.07 0.62 -0.18 0.00 4.77 -1.22 -2.57 117.00 116.35 2jkt n LEU 129 Ca -0.13 0.63 -0.04 0.00 -0.03 0.00 0.00 56.01 56.44 2jkt n LEU 129 Cb 0.46 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2jkt n LEU 129 CO 0.18 -0.45 1.04 0.50 -1.33 0.00 0.00 177.39 177.34 2jkt h LYS 130 N 0.00 0.54 -1.16 3.23 3.64 -1.87 0.20 116.57 121.16 2jkt h LYS 130 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jkt h LYS 130 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2jkt h LYS 130 CO 0.00 0.35 0.00 0.25 -2.27 0.00 0.00 179.45 177.78 2jkt n THR 131 N -4.85 0.64 0.00 1.00 -2.24 -1.06 -2.44 114.28 105.32 2jkt n THR 131 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2jkt n THR 131 Cb 0.14 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2jkt n THR 131 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jkt n PHE 132 N 0.53 0.00 -3.04 4.78 3.01 -0.88 -4.98 117.46 116.89 2jkt n PHE 132 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 2jkt n PHE 132 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2jkt n PHE 132 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jkt s ILE 133 N -0.45 5.24 0.00 4.37 -1.09 0.66 -4.86 121.20 125.07 2jkt s ILE 133 Ca 0.00 -2.76 0.00 0.00 -2.23 0.00 0.00 60.65 55.66 2jkt s ILE 133 Cb 0.00 -4.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.05 2jkt s ILE 133 CO 0.00 -1.51 1.15 0.35 -1.23 0.00 0.00 174.94 173.69 2jkt n THR 134 N 4.23 1.15 -4.21 2.92 -2.24 -1.26 -4.82 114.28 110.04 2jkt n THR 134 Ca 0.33 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.91 2jkt n THR 134 Cb 0.42 -1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 2jkt n THR 134 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2jkt s GLN 135 N 0.02 1.00 0.00 -0.78 2.00 -1.26 -5.13 119.66 115.51 2jkt s GLN 135 Ca 0.00 -1.46 0.00 0.00 -2.00 0.00 0.00 55.36 51.90 2jkt s GLN 135 Cb 0.00 -0.22 0.00 0.00 0.80 0.00 0.00 33.01 33.59 2jkt s GLN 135 CO 0.00 -0.09 0.00 1.04 -0.50 0.00 0.00 175.29 175.74 2jkt n GLN 136 N -0.16 0.00 0.00 1.67 1.13 -1.26 -5.02 117.38 113.74 2jkt n GLN 136 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2jkt n GLN 136 Cb 0.62 -0.05 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2jkt n GLN 136 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkt n GLY 137 N 0.49 1.11 3.47 1.08 0.00 -1.26 -5.09 105.19 105.00 2jkt n GLY 137 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2jkt n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkt s ILE 138 N 0.00 4.54 0.94 -0.61 1.01 -1.26 -4.98 121.20 120.83 2jkt s ILE 138 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 60.65 59.28 2jkt s ILE 138 Cb 0.00 -4.80 0.15 0.00 0.01 0.00 0.00 42.46 37.82 2jkt s ILE 138 CO 0.00 -1.56 1.14 -1.59 0.00 0.00 0.00 174.94 172.93 2jkt s LYS 139 N 3.27 0.91 0.00 2.79 0.00 -1.26 -4.93 119.74 120.53 2jkt s LYS 139 Ca 0.33 0.24 0.00 0.00 0.00 0.00 0.00 55.97 56.54 2jkt s LYS 139 Cb -0.06 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.95 2jkt s LYS 139 CO -0.06 -2.34 0.00 0.45 0.00 0.00 0.00 175.35 173.40 2jkt n SER 140 N -3.86 0.00 -3.19 0.03 2.88 -1.26 -5.10 113.62 103.12 2jkt n SER 140 Ca 0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2jkt n SER 140 Cb 0.59 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 2jkt n SER 140 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2jkt s GLN 141 N -1.24 2.08 0.00 -1.46 0.74 -1.26 -4.52 119.66 114.00 2jkt s GLN 141 Ca 0.00 -1.29 0.00 0.00 0.05 0.00 0.00 55.36 54.12 2jkt s GLN 141 Cb 0.00 0.61 0.00 0.00 1.10 0.00 0.00 33.01 34.72 2jkt s GLN 141 CO 0.00 -0.97 0.00 -0.89 -0.55 0.00 0.00 175.29 172.88 2jkt n ILE 159 N -0.52 0.00 -3.05 -2.34 5.41 -1.26 -5.15 119.36 112.46 2jkt n ILE 159 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.68 2jkt n ILE 159 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.52 2jkt n ILE 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkt n GLY 160 N 0.00 -1.08 3.84 7.39 0.00 -1.26 -4.39 105.19 109.69 2jkt n GLY 160 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2jkt n GLY 160 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jkt s TRP 161 N -0.90 3.23 -0.24 1.61 0.23 -1.26 -4.00 118.94 117.61 2jkt s TRP 161 Ca -0.02 1.30 -0.06 0.00 -2.03 0.00 0.00 56.10 55.30 2jkt s TRP 161 Cb 0.00 -2.90 0.12 0.00 0.03 0.00 0.00 33.47 30.73 2jkt s TRP 161 CO 0.19 -1.17 0.47 0.50 0.96 0.00 0.00 176.95 177.90 2jkt s ARG 162 N -5.13 0.40 0.39 4.98 3.52 -1.26 -4.42 118.95 117.42 2jkt s ARG 162 Ca 0.58 0.98 -0.24 0.00 -0.13 0.00 0.00 55.73 56.91 2jkt s ARG 162 Cb -0.13 0.25 -0.12 0.00 -1.56 0.00 0.00 34.95 33.39 2jkt s ARG 162 CO 0.54 -0.39 0.83 0.54 -0.81 0.00 0.00 175.30 176.02 2jkt n ARG 163 N 5.40 1.02 -2.18 5.12 5.12 -1.26 -4.92 116.66 124.95 2jkt n ARG 163 Ca -0.07 0.37 -0.36 0.00 -1.93 0.00 0.00 57.85 55.86 2jkt n ARG 163 Cb 0.50 -1.78 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 2jkt n ARG 163 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jkt s GLU 164 N -1.74 3.45 -1.29 5.56 2.56 -1.26 -4.00 118.70 121.97 2jkt s GLU 164 Ca 0.62 1.76 -0.04 0.00 0.00 0.00 0.00 54.97 57.32 2jkt s GLU 164 Cb -0.62 -2.18 0.01 0.00 2.00 0.00 0.00 34.13 33.34 2jkt s GLU 164 CO 0.58 -0.81 1.00 0.41 -0.56 0.00 0.00 175.26 175.88 2jkt n GLY 165 N 0.38 -0.41 3.77 -1.50 0.00 -1.26 -4.99 105.19 101.17 2jkt n GLY 165 Ca 0.10 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2jkt n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkt s ILE 166 N -3.39 3.48 -0.01 -0.61 -0.00 -1.26 -4.97 121.20 114.45 2jkt s ILE 166 Ca 0.22 1.29 0.03 0.00 -0.00 0.00 0.00 60.65 62.19 2jkt s ILE 166 Cb -0.10 -3.74 -0.01 0.00 -0.00 0.00 0.00 42.46 38.61 2jkt s ILE 166 CO 0.75 0.16 -0.11 -0.54 -0.00 0.00 0.00 174.94 175.20 2jkt s LYS 167 N -2.05 0.89 0.05 0.37 1.02 -1.26 -2.19 119.74 116.56 2jkt s LYS 167 Ca 0.53 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.14 2jkt s LYS 167 Cb -0.28 -0.86 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 2jkt s LYS 167 CO 0.36 0.24 -0.08 0.71 -0.92 0.00 0.00 175.35 175.65 2jkt s TYR 168 N -0.27 0.73 0.00 3.18 1.51 -1.26 -4.93 117.35 116.31 2jkt s TYR 168 Ca 0.04 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2jkt s TYR 168 Cb -0.04 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.38 2jkt s TYR 168 CO -0.00 -0.07 0.49 2.89 -1.11 0.00 0.00 175.55 177.75 2jkt n ARG 169 N 1.42 0.00 -3.65 -0.62 1.85 -1.26 -4.76 116.66 109.63 2jkt n ARG 169 Ca -0.22 0.23 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2jkt n ARG 169 Cb 0.55 -0.99 -0.04 0.00 -1.05 0.00 0.00 32.46 30.93 2jkt n ARG 169 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jkt s ARG 170 N -0.99 2.54 -0.45 2.89 0.52 -1.26 -5.11 118.95 117.08 2jkt s ARG 170 Ca 0.00 -1.52 -0.09 0.00 -0.52 0.00 0.00 55.73 53.60 2jkt s ARG 170 Cb 0.00 -2.36 0.10 0.00 0.52 0.00 0.00 34.95 33.21 2jkt s ARG 170 CO 0.00 -0.13 0.31 -0.80 0.02 0.00 0.00 175.30 174.70 2jkt s ASN 171 N -4.09 5.69 0.31 0.23 0.01 -1.26 -4.84 114.94 111.00 2jkt s ASN 171 Ca 0.46 -1.72 0.09 0.00 -0.71 0.00 0.00 52.86 50.98 2jkt s ASN 171 Cb -0.03 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 2jkt s ASN 171 CO 0.27 -0.63 -0.00 -1.83 -1.51 0.00 0.00 177.10 173.40 2jkt s GLU 172 N 1.40 2.12 -0.15 -0.60 -1.05 -0.68 0.88 118.70 120.63 2jkt s GLU 172 Ca 0.04 -1.64 -0.18 0.00 -0.15 0.00 0.00 54.97 53.05 2jkt s GLU 172 Cb -0.25 -2.00 0.05 0.00 -0.44 0.00 0.00 34.13 31.49 2jkt s GLU 172 CO 0.01 0.22 0.48 -0.48 0.95 0.00 0.00 175.26 176.43 2jkt s LEU 173 N -3.69 0.17 0.16 1.83 0.05 -0.11 -1.98 118.68 115.11 2jkt s LEU 173 Ca 0.34 0.86 0.08 0.00 0.05 0.00 0.00 54.13 55.45 2jkt s LEU 173 Cb -0.03 1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 45.75 2jkt s LEU 173 CO 0.19 -0.23 -0.07 -0.36 -0.55 0.00 0.00 176.35 175.33 2jkt s PHE 174 N -0.02 2.71 -0.30 3.48 0.40 0.23 -3.18 117.98 121.30 2jkt s PHE 174 Ca -0.02 -0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2jkt s PHE 174 Cb -0.03 -1.35 0.11 0.00 0.51 0.00 0.00 43.02 42.26 2jkt s PHE 174 CO 0.02 0.49 0.16 -0.51 0.70 0.00 0.00 175.22 176.08 2jkt s LEU 175 N -2.70 0.58 -0.28 -0.37 1.43 -0.71 -2.13 118.68 114.49 2jkt s LEU 175 Ca 0.25 -1.46 -0.17 0.00 -1.03 0.00 0.00 54.13 51.71 2jkt s LEU 175 Cb -0.09 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 2jkt s LEU 175 CO 0.16 -0.40 0.48 -1.81 0.23 0.00 0.00 176.35 175.01 2jkt s ASP 176 N 1.88 6.37 -0.53 2.29 -0.00 -0.57 -1.94 116.67 124.16 2jkt s ASP 176 Ca 0.11 0.37 -0.15 0.00 -0.00 0.00 0.00 52.55 52.88 2jkt s ASP 176 Cb -0.17 -2.26 0.13 0.00 -0.00 0.00 0.00 42.92 40.61 2jkt s ASP 176 CO -0.28 -0.30 0.49 -0.69 -0.00 0.00 0.00 175.17 174.39 2jkt s VAL 177 N 2.28 5.12 -0.31 -1.27 1.01 -0.44 -1.81 120.40 124.97 2jkt s VAL 177 Ca 0.19 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 2jkt s VAL 177 Cb -0.16 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 2jkt s VAL 177 CO 0.10 -0.86 0.17 -0.76 0.00 0.00 0.00 175.10 173.75 2jkt s LEU 178 N 1.58 4.15 -0.03 3.92 1.43 -0.17 -0.65 118.68 128.90 2jkt s LEU 178 Ca 0.03 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2jkt s LEU 178 Cb -0.30 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 2jkt s LEU 178 CO 0.03 -0.19 -0.14 -1.61 0.23 0.00 0.00 176.35 174.67 2jkt s GLU 179 N 1.64 1.41 -0.36 1.70 2.02 -0.57 -2.85 118.70 121.69 2jkt s GLU 179 Ca 0.05 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 2jkt s GLU 179 Cb -0.17 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 32.88 2jkt s GLU 179 CO 0.07 0.21 0.11 0.45 0.02 0.00 0.00 175.26 176.12 2jkt s SER 180 N 0.02 5.06 -0.06 -0.19 0.15 -0.38 0.81 113.70 119.11 2jkt s SER 180 Ca -0.02 -1.80 -0.18 0.00 0.70 0.00 0.00 55.95 54.65 2jkt s SER 180 Cb -0.10 -1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 62.41 2jkt s SER 180 CO 0.01 -0.42 0.50 0.54 1.20 0.00 0.00 173.24 175.07 2jkt s VAL 181 N 1.14 5.06 0.28 4.45 0.11 -0.77 -1.42 120.40 129.24 2jkt s VAL 181 Ca 0.04 1.03 0.11 0.00 -2.93 0.00 0.00 61.98 60.23 2jkt s VAL 181 Cb -0.21 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.76 2jkt s VAL 181 CO -0.04 0.41 -0.08 0.20 -3.33 0.00 0.00 175.10 172.25 2jkt s ASN 182 N 0.02 4.14 -0.26 3.54 -0.87 0.08 -1.11 114.94 120.48 2jkt s ASN 182 Ca 0.27 -0.82 -0.26 0.00 -1.57 0.00 0.00 52.86 50.48 2jkt s ASN 182 Cb -0.16 -0.61 0.13 0.00 -0.02 0.00 0.00 41.25 40.59 2jkt s ASN 182 CO 0.13 0.01 1.06 -0.22 -2.57 0.00 0.00 177.10 175.51 2jkt s LEU 183 N -3.61 -0.39 -0.28 0.60 2.96 -1.01 -2.77 118.68 114.18 2jkt s LEU 183 Ca 0.31 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2jkt s LEU 183 Cb -0.06 1.80 0.08 0.00 0.50 0.00 0.00 46.19 48.52 2jkt s LEU 183 CO 0.18 -0.18 0.05 -0.22 -1.32 0.00 0.00 176.35 174.85 2jkt s LEU 184 N -0.11 2.48 0.05 -0.68 2.96 -0.53 -1.59 118.68 121.26 2jkt s LEU 184 Ca 0.02 -1.47 0.02 0.00 -0.22 0.00 0.00 54.13 52.48 2jkt s LEU 184 Cb -0.04 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 2jkt s LEU 184 CO -0.05 -0.35 0.09 -0.32 -1.32 0.00 0.00 176.35 174.39 2jkt s MET 185 N 1.51 2.98 0.35 1.98 1.75 -0.57 -1.65 119.30 125.64 2jkt s MET 185 Ca 0.05 -0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 53.71 2jkt s MET 185 Cb -0.18 -2.79 -0.09 0.00 2.84 0.00 0.00 34.83 34.61 2jkt s MET 185 CO -0.16 0.59 0.79 0.45 -0.65 0.00 0.00 175.02 176.05 2jkt s SER 186 N -2.21 6.83 0.36 1.11 0.15 0.72 -0.56 113.70 120.10 2jkt s SER 186 Ca 0.28 1.39 0.13 0.00 0.70 0.00 0.00 55.95 58.45 2jkt s SER 186 Cb -0.12 -2.42 0.95 0.00 -1.71 0.00 0.00 66.02 62.72 2jkt s SER 186 CO 0.20 -0.24 1.78 -0.65 1.20 0.00 0.00 173.24 175.53 2jkt h PRO 187 N 2.20 0.53 0.00 5.44 0.11 -1.90 0.81 132.00 139.19 2jkt h PRO 187 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jkt h PRO 187 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jkt h PRO 187 CO 0.64 0.35 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 2jkt n GLN 188 N -4.70 0.27 0.00 1.05 3.00 -1.26 -4.57 117.38 111.18 2jkt n GLN 188 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jkt n GLN 188 Cb 0.73 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.47 2jkt n GLN 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jkt n GLY 189 N 1.36 1.10 3.71 1.08 0.00 0.28 -5.09 105.19 107.63 2jkt n GLY 189 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2jkt n GLY 189 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkt s GLN 190 N -0.65 4.35 -0.61 1.61 -1.52 -1.23 -4.74 119.66 116.87 2jkt s GLN 190 Ca 0.00 1.92 -0.27 0.00 -1.95 0.00 0.00 55.36 55.06 2jkt s GLN 190 Cb 0.00 -3.39 0.03 0.00 -0.22 0.00 0.00 33.01 29.44 2jkt s GLN 190 CO 0.00 -0.42 1.17 0.08 -0.25 0.00 0.00 175.29 175.87 2jkt s VAL 191 N 1.50 4.02 -0.20 1.09 1.01 -1.26 -0.20 120.40 126.36 2jkt s VAL 191 Ca 0.62 0.70 0.17 0.00 0.00 0.00 0.00 61.98 63.47 2jkt s VAL 191 Cb -0.32 -4.74 0.13 0.00 0.00 0.00 0.00 36.38 31.45 2jkt s VAL 191 CO 0.28 -1.41 1.50 -0.07 0.00 0.00 0.00 175.10 175.41 2jkt h LEU 192 N 11.98 0.00 -7.00 3.92 3.38 -1.67 -3.48 115.31 122.44 2jkt h LEU 192 Ca -0.26 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 192 Cb 1.06 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.54 2jkt h LEU 192 CO 1.19 0.38 0.89 -0.94 0.09 0.00 0.00 178.44 180.05 2jkt s SER 193 N -6.39 -0.09 -0.30 -0.43 1.04 -1.21 -4.99 113.70 101.32 2jkt s SER 193 Ca 0.04 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.30 2jkt s SER 193 Cb 0.07 0.07 0.20 0.00 0.10 0.00 0.00 66.02 66.46 2jkt s SER 193 CO 0.72 -0.09 1.46 0.00 0.98 0.00 0.00 173.24 176.31 2jkt s ALA 194 N -1.11 -2.21 -0.03 5.32 0.00 -1.26 -1.46 121.76 121.01 2jkt s ALA 194 Ca 0.07 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.53 2jkt s ALA 194 Cb -0.01 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.41 2jkt s ALA 194 CO -0.06 -0.13 0.54 -3.38 0.00 0.00 0.00 175.76 172.73 2jkt s HIS 195 N -0.33 -0.48 -0.20 0.00 -3.43 -1.11 -4.74 115.29 105.00 2jkt s HIS 195 Ca 0.08 0.78 -0.10 0.00 -0.80 0.00 0.00 55.06 55.02 2jkt s HIS 195 Cb -0.04 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 2jkt s HIS 195 CO -0.14 -0.54 0.13 0.08 -2.00 0.00 0.00 174.74 172.27 2jkt s VAL 196 N -1.35 5.37 -0.12 -5.38 1.01 -0.45 -0.74 120.40 118.75 2jkt s VAL 196 Ca -0.11 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2jkt s VAL 196 Cb -0.02 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2jkt s VAL 196 CO 0.07 0.43 0.43 -0.44 0.00 0.00 0.00 175.10 175.59 2jkt s SER 197 N 0.45 6.63 0.57 3.32 0.01 -0.51 -2.44 113.70 121.73 2jkt s SER 197 Ca 0.08 0.75 0.06 0.00 1.31 0.00 0.00 55.95 58.15 2jkt s SER 197 Cb -0.11 -2.26 0.06 0.00 0.21 0.00 0.00 66.02 63.92 2jkt s SER 197 CO -0.01 0.04 0.53 -0.83 0.41 0.00 0.00 173.24 173.38 2jkt s GLY 198 N 0.52 2.20 0.00 3.44 0.00 -0.51 -1.25 107.32 111.72 2jkt s GLY 198 Ca 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2jkt s GLY 198 CO 0.09 -1.89 0.00 -2.13 0.00 0.00 0.00 173.10 169.17 2jkt n ARG 199 N -1.94 0.00 -3.77 2.90 0.63 -1.13 -3.92 116.66 109.42 2jkt n ARG 199 Ca 0.03 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.60 2jkt n ARG 199 Cb 0.64 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.43 2jkt n ARG 199 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jkt s VAL 200 N 0.00 3.33 0.10 5.15 1.01 -0.25 -1.00 120.40 128.74 2jkt s VAL 200 Ca 0.00 -2.18 -0.15 0.00 0.00 0.00 0.00 61.98 59.65 2jkt s VAL 200 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2jkt s VAL 200 CO 0.00 -0.72 0.52 -0.69 0.00 0.00 0.00 175.10 174.21 2jkt s VAL 201 N 0.98 4.87 -0.12 2.92 1.01 -0.75 -2.14 120.40 127.17 2jkt s VAL 201 Ca 0.09 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2jkt s VAL 201 Cb -0.23 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2jkt s VAL 201 CO -0.04 0.39 -0.10 -0.32 0.00 0.00 0.00 175.10 175.03 2jkt s MET 202 N -1.58 1.81 -0.33 2.72 -2.45 -0.73 -1.52 119.30 117.23 2jkt s MET 202 Ca 0.33 -0.37 -0.12 0.00 -1.25 0.00 0.00 55.69 54.28 2jkt s MET 202 Cb -0.16 -1.76 -0.01 0.00 1.25 0.00 0.00 34.83 34.15 2jkt s MET 202 CO 0.18 -0.24 0.21 0.21 1.05 0.00 0.00 175.02 176.43 2jkt s LYS 203 N 1.56 3.43 -0.32 4.11 2.20 -0.91 -1.62 119.74 128.19 2jkt s LYS 203 Ca 0.04 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 2jkt s LYS 203 Cb -0.13 -3.72 0.10 0.00 -1.51 0.00 0.00 37.83 32.57 2jkt s LYS 203 CO -0.08 -0.44 0.06 -1.54 -0.36 0.00 0.00 175.35 172.98 2jkt s SER 204 N 1.68 4.41 -1.10 1.43 1.04 0.12 0.74 113.70 122.01 2jkt s SER 204 Ca 0.05 -1.86 -0.08 0.00 0.48 0.00 0.00 55.95 54.54 2jkt s SER 204 Cb -0.17 -1.30 0.28 0.00 0.10 0.00 0.00 66.02 64.92 2jkt s SER 204 CO 0.09 -0.38 1.15 -1.22 0.98 0.00 0.00 173.24 173.86 2jkt n TYR 205 N 4.51 4.83 -4.06 5.02 0.53 -0.84 -1.28 117.16 125.88 2jkt n TYR 205 Ca 0.00 -3.75 -0.12 0.00 -1.02 0.00 0.00 57.90 53.01 2jkt n TYR 205 Cb 0.42 -1.62 -0.11 0.00 -1.03 0.00 0.00 39.34 37.00 2jkt n TYR 205 CO 0.00 0.00 0.00 -0.48 -1.02 0.00 0.00 176.86 175.36 2jkt s LEU 206 N -1.51 2.29 0.16 7.72 2.34 -1.24 -1.68 118.68 126.76 2jkt s LEU 206 Ca 0.31 -0.60 0.04 0.00 0.06 0.00 0.00 54.13 53.93 2jkt s LEU 206 Cb -0.08 -0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.43 2jkt s LEU 206 CO -0.06 -0.26 0.24 -0.94 -1.06 0.00 0.00 176.35 174.27 2jkt s SER 207 N -1.75 6.06 0.00 1.48 1.04 -1.26 -4.90 113.70 114.38 2jkt s SER 207 Ca -0.08 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2jkt s SER 207 Cb -0.08 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2jkt s SER 207 CO -0.01 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2jkt n GLY 208 N -0.58 -1.81 2.87 7.32 0.00 -0.93 -4.66 105.19 107.40 2jkt n GLY 208 Ca -0.08 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2jkt n GLY 208 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jkt n MET 209 N 0.00 2.35 -3.34 1.61 0.00 -1.26 -4.63 117.12 111.84 2jkt n MET 209 Ca 0.00 -4.53 -0.38 0.00 -0.00 0.00 0.00 57.70 52.78 2jkt n MET 209 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 33.22 30.82 2jkt n MET 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jkt s PRO 210 N -1.72 4.17 -0.39 2.12 0.05 -1.26 -4.75 135.00 133.22 2jkt s PRO 210 Ca 0.29 0.26 -0.20 0.00 0.05 0.00 0.00 61.00 61.40 2jkt s PRO 210 Cb -0.01 -3.55 0.01 0.00 0.05 0.00 0.00 34.50 31.00 2jkt s PRO 210 CO -0.11 -0.08 0.62 -2.00 0.05 0.00 0.00 177.00 175.47 2jkt s GLU 211 N 1.44 3.52 -0.07 4.56 2.12 0.24 -4.14 118.70 126.37 2jkt s GLU 211 Ca 0.20 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 2jkt s GLU 211 Cb -0.15 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 2jkt s GLU 211 CO 0.09 -0.82 -0.02 0.00 -0.54 0.00 0.00 175.26 173.97 2jkt s LYS 213 N -0.98 3.65 -0.41 0.00 2.20 0.55 -2.45 119.74 122.29 2jkt s LYS 213 Ca 0.14 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 2jkt s LYS 213 Cb -0.11 -3.09 0.14 0.00 -1.51 0.00 0.00 37.83 33.26 2jkt s LYS 213 CO 0.03 0.65 0.23 0.12 -0.36 0.00 0.00 175.35 176.02 2jkt s PHE 214 N -1.27 1.57 0.09 4.03 5.99 -0.16 -1.31 117.98 126.92 2jkt s PHE 214 Ca 0.27 -2.17 -0.27 0.00 0.00 0.00 0.00 56.93 54.76 2jkt s PHE 214 Cb -0.14 -1.56 -0.06 0.00 0.00 0.00 0.00 43.02 41.26 2jkt s PHE 214 CO 0.15 -0.80 0.84 0.20 -0.00 0.00 0.00 175.22 175.61 2jkt s GLY 215 N 0.57 2.89 0.27 13.12 0.00 -0.56 -3.31 107.32 120.30 2jkt s GLY 215 Ca 0.18 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.32 2jkt s GLY 215 CO 0.00 1.17 0.09 -3.16 0.00 0.00 0.00 173.10 171.21 2jkt s MET 216 N -0.27 1.47 0.17 2.90 0.23 -1.26 -1.27 119.30 121.26 2jkt s MET 216 Ca 0.41 -1.80 -0.03 0.00 -1.03 0.00 0.00 55.69 53.24 2jkt s MET 216 Cb -0.22 -0.37 0.04 0.00 -1.53 0.00 0.00 34.83 32.75 2jkt s MET 216 CO 0.26 -0.28 0.21 0.27 -2.03 0.00 0.00 175.02 173.45 2jkt n ASN 217 N -0.53 -0.18 0.00 -1.18 6.94 -1.05 -4.35 115.26 114.91 2jkt n ASN 217 Ca -0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 2jkt n ASN 217 Cb 0.66 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2jkt n ASN 217 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2jkt n ASP 218 N -3.17 0.00 0.00 0.53 -0.08 -1.26 -4.67 116.55 107.90 2jkt n ASP 218 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2jkt n ASP 218 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 2jkt n ASP 218 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jkt n LYS 219 N 0.00 0.00 -4.18 -0.67 4.01 -1.26 -4.91 118.16 111.16 2jkt n LYS 219 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 2jkt n LYS 219 Cb 0.00 -3.59 -0.13 0.00 -0.51 0.00 0.00 35.03 30.80 2jkt n LYS 219 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2jkt s ILE 220 N -1.28 0.69 0.04 -0.18 1.01 -1.26 -4.89 121.20 115.33 2jkt s ILE 220 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 2jkt s ILE 220 Cb 0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2jkt s ILE 220 CO 0.00 -0.13 -0.03 -0.69 0.00 0.00 0.00 174.94 174.08 2jkt s VAL 221 N -0.89 0.21 0.31 2.92 1.01 -1.26 -5.15 120.40 117.56 2jkt s VAL 221 Ca -0.03 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.32 2jkt s VAL 221 Cb -0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 2jkt s VAL 221 CO 0.01 -0.72 1.15 -0.63 0.00 0.00 0.00 175.10 174.91 2jkt s ILE 222 N -2.59 3.29 0.35 2.22 1.09 -1.26 -4.83 121.20 119.47 2jkt s ILE 222 Ca -0.05 1.25 -0.11 0.00 -1.10 0.00 0.00 60.65 60.65 2jkt s ILE 222 Cb -0.02 -3.78 0.04 0.00 -1.06 0.00 0.00 42.46 37.65 2jkt s ILE 222 CO -0.05 0.26 0.66 -0.62 -0.10 0.00 0.00 174.94 175.09 2jkt n GLU 232 N 0.90 0.94 -4.03 2.79 -0.58 -1.26 -5.02 120.64 114.37 2jkt n GLU 232 Ca 0.00 -2.17 -0.17 0.00 -0.42 0.00 0.00 57.16 54.40 2jkt n GLU 232 Cb 0.45 2.53 -0.15 0.00 -0.57 0.00 0.00 31.44 33.69 2jkt n GLU 232 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jkt s THR 233 N -2.33 0.29 -0.85 2.62 -4.23 -1.26 -5.08 115.64 104.80 2jkt s THR 233 Ca 0.18 -0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.39 2jkt s THR 233 Cb -0.04 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 2jkt s THR 233 CO 0.13 0.14 1.93 -0.94 -0.54 0.00 0.00 174.62 175.34 2jkt s SER 234 N 0.58 5.17 0.00 3.99 1.04 -1.26 -4.67 113.70 118.56 2jkt s SER 234 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2jkt s SER 234 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2jkt s SER 234 CO -0.01 -2.67 0.00 1.17 0.98 0.00 0.00 173.24 172.71 2jkt n LYS 235 N 8.91 0.00 -4.16 4.02 4.81 -1.26 -4.91 118.16 125.57 2jkt n LYS 235 Ca 0.37 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.66 2jkt n LYS 235 Cb 0.48 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.46 2jkt n LYS 235 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jkt s SER 236 N 0.00 0.76 0.00 3.14 0.01 -1.26 -5.16 113.70 111.18 2jkt s SER 236 Ca 0.00 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2jkt s SER 236 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2jkt s SER 236 CO 0.00 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2jkt n GLY 237 N -0.47 2.81 3.38 3.44 0.00 -1.26 -5.04 105.19 108.05 2jkt n GLY 237 Ca 0.03 -1.89 0.02 0.00 0.00 0.00 0.00 46.02 44.18 2jkt n GLY 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkt s LYS 238 N -3.27 0.19 -1.38 1.61 2.20 -1.26 -4.87 119.74 112.96 2jkt s LYS 238 Ca 0.00 0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.96 2jkt s LYS 238 Cb 0.00 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2jkt s LYS 238 CO 0.00 -0.06 1.12 1.04 -0.36 0.00 0.00 175.35 177.09 2jkt n GLN 239 N 4.48 -7.29 -3.78 4.03 6.02 -1.26 -5.03 117.38 114.56 2jkt n GLN 239 Ca -0.10 0.78 -0.13 0.00 -0.01 0.00 0.00 57.00 57.54 2jkt n GLN 239 Cb 0.55 -5.79 -0.12 0.00 1.02 0.00 0.00 30.24 25.90 2jkt n GLN 239 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2jkt s SER 240 N -3.44 -0.27 -0.22 1.08 1.04 -1.26 -5.15 113.70 105.49 2jkt s SER 240 Ca 0.54 0.53 -0.22 0.00 0.48 0.00 0.00 55.95 57.28 2jkt s SER 240 Cb -0.25 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2jkt s SER 240 CO 0.75 -0.10 0.68 -0.63 0.98 0.00 0.00 173.24 174.92 2jkt s ILE 241 N 0.30 4.97 -0.26 -1.02 1.09 -1.26 -4.98 121.20 120.04 2jkt s ILE 241 Ca -0.01 1.27 -0.29 0.00 -1.10 0.00 0.00 60.65 60.51 2jkt s ILE 241 Cb -0.03 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 2jkt s ILE 241 CO -0.01 0.05 1.22 0.00 -0.10 0.00 0.00 174.94 176.10 2jkt s ALA 242 N 2.23 3.50 -0.15 9.38 0.00 -1.26 -5.02 121.76 130.44 2jkt s ALA 242 Ca 0.30 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2jkt s ALA 242 Cb -0.16 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2jkt s ALA 242 CO 0.10 -1.50 -0.00 0.96 0.00 0.00 0.00 175.76 175.32 2jkt s ILE 243 N 3.89 4.24 0.68 0.00 -5.25 -1.26 -4.91 121.20 118.59 2jkt s ILE 243 Ca 0.52 -0.24 -0.17 0.00 -0.99 0.00 0.00 60.65 59.78 2jkt s ILE 243 Cb -0.17 -2.86 -0.05 0.00 2.95 0.00 0.00 42.46 42.33 2jkt s ILE 243 CO 0.18 0.50 0.58 0.47 -1.79 0.00 0.00 174.94 174.87 2jkt n ASP 244 N 3.32 -0.95 -0.69 4.36 9.92 -1.26 -4.89 116.55 126.35 2jkt n ASP 244 Ca -0.17 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2jkt n ASP 244 Cb 0.53 -1.23 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2jkt n ASP 244 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jkt n ASP 245 N -0.20 0.00 0.00 -2.24 4.64 -0.23 -4.95 116.55 113.57 2jkt n ASP 245 Ca 0.11 -0.69 0.00 0.00 -1.38 0.00 0.00 54.79 52.82 2jkt n ASP 245 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 2jkt n ASP 245 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2jkt s THR 247 N -0.50 0.11 0.51 0.00 2.01 -0.29 -4.99 115.64 112.48 2jkt s THR 247 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2jkt s THR 247 Cb 0.00 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.38 2jkt s THR 247 CO 0.00 0.07 0.34 -0.36 -0.69 0.00 0.00 174.62 173.98 2jkt s PHE 248 N 0.38 1.92 0.66 4.92 0.40 -1.26 -1.22 117.98 123.79 2jkt s PHE 248 Ca -0.03 -0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 55.44 2jkt s PHE 248 Cb -0.06 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2jkt s PHE 248 CO -0.01 -0.29 1.01 -1.58 0.70 0.00 0.00 175.22 175.06 2jkt s HIS 249 N -2.72 3.23 0.21 0.36 2.46 -0.83 -4.91 115.29 113.10 2jkt s HIS 249 Ca 0.35 0.80 -0.10 0.00 0.47 0.00 0.00 55.06 56.58 2jkt s HIS 249 Cb -0.01 -2.97 0.20 0.00 -0.13 0.00 0.00 32.58 29.66 2jkt s HIS 249 CO 0.21 -1.09 1.86 1.96 -2.47 0.00 0.00 174.74 175.20 2jkt h GLN 250 N -0.48 0.89 0.00 2.88 1.08 -1.93 -2.22 115.11 115.33 2jkt h GLN 250 Ca -0.45 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2jkt h GLN 250 Cb 1.27 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2jkt h GLN 250 CO 0.62 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 179.09 2jkt s VAL 252 N -2.15 4.86 -0.50 0.00 1.01 -0.84 -3.08 120.40 119.70 2jkt s VAL 252 Ca 0.25 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 2jkt s VAL 252 Cb 0.13 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.41 2jkt s VAL 252 CO 0.23 0.01 0.56 -0.13 0.00 0.00 0.00 175.10 175.77 2jkt s ARG 253 N 2.24 3.08 0.00 2.72 1.81 0.14 -4.92 118.95 124.01 2jkt s ARG 253 Ca 0.39 -1.05 0.30 0.00 -1.72 0.00 0.00 55.73 53.65 2jkt s ARG 253 Cb -0.16 -4.12 1.70 0.00 -0.45 0.00 0.00 34.95 31.92 2jkt s ARG 253 CO 0.12 -1.18 2.10 1.28 -0.68 0.00 0.00 175.30 176.94 2jkt n LEU 254 N 5.90 0.19 -0.09 2.53 4.77 -1.26 -2.53 117.00 126.50 2jkt n LEU 254 Ca -0.08 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.82 2jkt n LEU 254 Cb 0.45 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jkt n LEU 254 CO 0.52 0.03 0.14 -0.24 -1.33 0.00 0.00 177.39 176.51 2jkt n SER 255 N -0.83 -0.17 -1.25 -1.43 2.88 -1.26 -2.29 113.62 109.27 2jkt n SER 255 Ca 0.22 0.42 -0.06 0.00 -1.33 0.00 0.00 58.87 58.12 2jkt n SER 255 Cb 0.13 -0.09 0.19 0.00 -0.75 0.00 0.00 64.21 63.69 2jkt n SER 255 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jkt n LYS 256 N -4.34 1.93 0.13 -1.46 5.02 -1.26 -4.71 118.16 113.47 2jkt n LYS 256 Ca 0.02 -3.25 0.12 0.00 -2.02 0.00 0.00 58.31 53.18 2jkt n LYS 256 Cb 0.09 -1.85 0.48 0.00 -0.02 0.00 0.00 35.03 33.73 2jkt n LYS 256 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jkt n PHE 257 N -1.11 0.85 0.77 2.13 7.35 -0.97 -0.92 117.46 125.56 2jkt n PHE 257 Ca 0.35 0.32 0.10 0.00 -0.76 0.00 0.00 57.45 57.46 2jkt n PHE 257 Cb 1.03 -1.02 0.29 0.00 0.35 0.00 0.00 39.48 40.13 2jkt n PHE 257 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2jkt n ASP 258 N -2.26 2.45 -3.84 -2.13 8.00 -1.26 -4.11 116.55 113.39 2jkt n ASP 258 Ca 0.03 -1.87 -0.34 0.00 0.71 0.00 0.00 54.79 53.32 2jkt n ASP 258 Cb 0.26 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2jkt n ASP 258 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jkt n SER 259 N 0.83 4.42 0.00 -2.24 2.88 -0.10 -4.62 113.62 114.80 2jkt n SER 259 Ca 0.17 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.41 2jkt n SER 259 Cb 0.44 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2jkt n SER 259 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkt n GLU 260 N 1.58 0.00 0.11 -1.46 -0.58 -1.26 -3.84 120.64 115.20 2jkt n GLU 260 Ca 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2jkt n GLU 260 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2jkt n GLU 260 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jkt n ARG 261 N 0.00 0.00 -2.65 3.49 5.12 -1.26 -4.82 116.66 116.54 2jkt n ARG 261 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 2jkt n ARG 261 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2jkt n ARG 261 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2jkt n SER 262 N -3.08 0.00 -4.59 0.55 7.64 -1.25 -3.81 113.62 109.09 2jkt n SER 262 Ca 0.00 -0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.18 2jkt n SER 262 Cb 0.00 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 2jkt n SER 262 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jkt s ILE 263 N -2.69 3.29 -0.22 0.44 1.09 -1.21 -4.25 121.20 117.65 2jkt s ILE 263 Ca 0.06 0.28 -0.07 0.00 -1.10 0.00 0.00 60.65 59.82 2jkt s ILE 263 Cb -0.04 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.88 2jkt s ILE 263 CO 0.22 -0.32 0.07 -0.44 -0.10 0.00 0.00 174.94 174.37 2jkt s SER 264 N 7.48 5.36 0.25 3.58 0.01 -1.05 -0.99 113.70 128.34 2jkt s SER 264 Ca 0.86 -0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.97 2jkt s SER 264 Cb -0.24 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 2jkt s SER 264 CO 0.32 0.05 0.34 0.72 0.41 0.00 0.00 173.24 175.07 2jkt s PHE 265 N 1.14 0.88 -0.25 2.43 -0.12 -1.02 0.24 117.98 121.28 2jkt s PHE 265 Ca 0.04 -1.14 -0.01 0.00 -0.05 0.00 0.00 56.93 55.78 2jkt s PHE 265 Cb -0.14 -0.20 0.07 0.00 -0.63 0.00 0.00 43.02 42.12 2jkt s PHE 265 CO 0.03 -0.88 0.02 0.42 -0.05 0.00 0.00 175.22 174.76 2jkt s ILE 266 N -3.85 1.07 0.12 -4.49 1.09 -1.18 -2.30 121.20 111.67 2jkt s ILE 266 Ca 0.31 -1.11 -0.30 0.00 -1.10 0.00 0.00 60.65 58.45 2jkt s ILE 266 Cb 0.02 -1.56 -0.06 0.00 -1.06 0.00 0.00 42.46 39.80 2jkt s ILE 266 CO 0.13 -0.31 1.14 -2.16 -0.10 0.00 0.00 174.94 173.64 2jkt s PRO 267 N 1.58 4.52 1.15 2.79 0.05 -1.26 -4.83 135.00 139.00 2jkt s PRO 267 Ca 0.01 1.72 -0.18 0.00 0.05 0.00 0.00 61.00 62.60 2jkt s PRO 267 Cb -0.18 -3.32 0.19 0.00 0.05 0.00 0.00 34.50 31.24 2jkt s PRO 267 CO -0.12 -0.08 0.32 -2.30 0.05 0.00 0.00 177.00 174.87 2jkt n PRO 268 N 3.13 -2.38 -3.19 0.56 -0.02 -1.26 -4.83 135.00 127.02 2jkt n PRO 268 Ca 0.06 -0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 60.50 2jkt n PRO 268 Cb 0.47 -1.72 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2jkt n PRO 268 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jkt s ASP 269 N -2.10 6.88 0.36 2.55 3.68 -1.26 -4.88 116.67 121.90 2jkt s ASP 269 Ca 0.54 1.26 0.00 0.00 2.13 0.00 0.00 52.55 56.48 2jkt s ASP 269 Cb -0.12 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 2jkt s ASP 269 CO 0.56 -0.05 0.00 0.61 0.13 0.00 0.00 175.17 176.42 2jkt n GLY 270 N 0.28 1.04 3.79 2.66 0.00 -0.40 -4.80 105.19 107.76 2jkt n GLY 270 Ca -0.01 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2jkt n GLY 270 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jkt s GLU 271 N 0.00 4.23 0.23 1.61 2.12 -1.26 0.12 118.70 125.75 2jkt s GLU 271 Ca 0.00 0.69 -0.20 0.00 0.36 0.00 0.00 54.97 55.81 2jkt s GLU 271 Cb 0.00 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.14 2jkt s GLU 271 CO 0.00 0.51 0.64 -0.59 -0.54 0.00 0.00 175.26 175.28 2jkt s PHE 272 N -0.66 -0.25 -0.87 5.30 -0.12 -0.64 -4.99 117.98 115.76 2jkt s PHE 272 Ca 0.29 -0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 56.96 2jkt s PHE 272 Cb -0.18 0.58 0.23 0.00 -0.63 0.00 0.00 43.02 43.01 2jkt s PHE 272 CO 0.17 -1.05 0.80 -2.00 -0.05 0.00 0.00 175.22 173.09 2jkt s GLU 273 N -3.87 3.57 0.40 1.99 2.12 -1.26 -1.78 118.70 119.88 2jkt s GLU 273 Ca 0.08 -2.72 0.08 0.00 0.36 0.00 0.00 54.97 52.78 2jkt s GLU 273 Cb -0.03 -4.32 0.85 0.00 0.26 0.00 0.00 34.13 30.88 2jkt s GLU 273 CO -0.01 -1.26 2.00 1.25 -0.54 0.00 0.00 175.26 176.71 2jkt h LEU 274 N 7.27 0.52 -7.00 2.70 5.85 -1.79 -3.39 115.31 119.47 2jkt h LEU 274 Ca 0.11 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2jkt h LEU 274 Cb 0.97 -0.12 -0.25 0.00 0.37 0.00 0.00 40.66 41.64 2jkt h LEU 274 CO 0.81 0.35 0.30 0.00 -0.34 0.00 0.00 178.44 179.57 2jkt s MET 275 N -5.54 0.55 -0.14 1.25 0.23 -1.19 -1.97 119.30 112.49 2jkt s MET 275 Ca -0.09 0.79 0.02 0.00 -1.03 0.00 0.00 55.69 55.39 2jkt s MET 275 Cb 0.19 0.20 0.01 0.00 -1.53 0.00 0.00 34.83 33.70 2jkt s MET 275 CO 0.75 -0.09 -0.19 0.50 -2.03 0.00 0.00 175.02 173.96 2jkt s ARG 276 N 0.86 2.70 0.04 3.16 3.52 -0.36 -1.09 118.95 127.78 2jkt s ARG 276 Ca -0.04 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2jkt s ARG 276 Cb -0.05 -2.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 2jkt s ARG 276 CO -0.10 -0.08 0.03 2.48 -0.81 0.00 0.00 175.30 176.82 2jkt n TYR 277 N 4.25 -0.09 -3.36 5.12 0.18 -1.25 -1.14 117.16 120.87 2jkt n TYR 277 Ca -0.19 -0.36 0.02 0.00 1.88 0.00 0.00 57.90 59.25 2jkt n TYR 277 Cb 0.51 0.03 -0.03 0.00 -0.38 0.00 0.00 39.34 39.47 2jkt n TYR 277 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2jkt s ARG 278 N -2.18 0.30 0.30 -3.48 1.70 -1.23 -1.43 118.95 112.94 2jkt s ARG 278 Ca 0.05 0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 55.95 2jkt s ARG 278 Cb 0.00 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2jkt s ARG 278 CO 0.03 -0.15 0.59 -0.08 -1.08 0.00 0.00 175.30 174.62 2jkt s THR 279 N 2.56 4.96 0.00 4.99 -1.32 -1.02 -1.06 115.64 124.74 2jkt s THR 279 Ca -0.01 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 2jkt s THR 279 Cb -0.07 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2jkt s THR 279 CO -0.17 -0.31 0.18 0.35 -2.21 0.00 0.00 174.62 172.47 2jkt n THR 280 N -0.83 0.00 0.00 5.08 -2.24 -1.26 -1.33 114.28 113.69 2jkt n THR 280 Ca -0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2jkt n THR 280 Cb 0.54 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 2jkt n THR 280 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jkt n LYS 281 N -0.13 0.00 -1.02 -0.78 5.02 -1.26 -4.79 118.16 115.20 2jkt n LYS 281 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2jkt n LYS 281 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.07 2jkt n LYS 281 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jkt n ASP 282 N 0.00 4.24 -4.75 4.39 8.00 -1.26 -4.91 116.55 122.27 2jkt n ASP 282 Ca 0.00 -2.52 -0.41 0.00 0.71 0.00 0.00 54.79 52.57 2jkt n ASP 282 Cb 0.00 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 39.87 2jkt n ASP 282 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jkt s ILE 283 N 3.88 3.63 -1.07 0.53 1.01 -1.26 -4.62 121.20 123.30 2jkt s ILE 283 Ca 0.49 1.48 -0.03 0.00 0.00 0.00 0.00 60.65 62.59 2jkt s ILE 283 Cb 0.13 -3.94 0.25 0.00 0.01 0.00 0.00 42.46 38.90 2jkt s ILE 283 CO 0.01 0.29 2.06 -0.38 0.00 0.00 0.00 174.94 176.92 2jkt n ILE 284 N 1.97 5.48 -1.15 2.92 2.08 -0.22 -5.01 119.36 125.44 2jkt n ILE 284 Ca 0.02 -5.18 -0.51 0.00 0.56 0.00 0.00 62.75 57.64 2jkt n ILE 284 Cb 0.45 -1.68 -0.11 0.00 -0.75 0.00 0.00 39.64 37.55 2jkt n ILE 284 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2jkt n LEU 285 N 0.47 0.62 0.22 1.39 4.77 -1.26 -4.77 117.00 118.43 2jkt n LEU 285 Ca 0.52 0.55 0.15 0.00 -0.03 0.00 0.00 56.01 57.20 2jkt n LEU 285 Cb 0.27 -0.81 0.56 0.00 -2.33 0.00 0.00 43.42 41.11 2jkt n LEU 285 CO 0.56 -0.68 0.93 -0.65 -1.33 0.00 0.00 177.39 176.21 2jkt h PRO 286 N 8.40 0.00 -3.69 3.23 0.11 -1.95 -3.44 132.00 134.67 2jkt h PRO 286 Ca -0.08 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.72 2jkt h PRO 286 Cb 1.26 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.04 2jkt h PRO 286 CO 1.01 0.00 -0.74 -0.06 -0.21 0.00 0.00 178.00 178.00 2jkt s PHE 287 N -3.48 0.16 -0.12 0.65 0.40 -1.26 -2.59 117.98 111.73 2jkt s PHE 287 Ca 0.03 0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.33 2jkt s PHE 287 Cb 0.09 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 2jkt s PHE 287 CO 0.52 -0.08 0.15 0.50 0.70 0.00 0.00 175.22 177.01 2jkt s ARG 288 N 0.74 3.52 -0.22 0.44 3.52 -0.32 -4.98 118.95 121.66 2jkt s ARG 288 Ca -0.07 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 2jkt s ARG 288 Cb -0.10 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 2jkt s ARG 288 CO -0.02 0.74 -0.03 0.08 -0.81 0.00 0.00 175.30 175.26 2jkt s VAL 289 N -0.91 3.47 -0.50 7.11 1.01 -1.26 -1.62 120.40 127.70 2jkt s VAL 289 Ca 0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2jkt s VAL 289 Cb -0.12 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.80 2jkt s VAL 289 CO 0.04 0.42 0.39 -0.63 0.00 0.00 0.00 175.10 175.31 2jkt s ILE 290 N 1.47 4.37 -0.46 2.22 1.01 -1.10 -4.92 121.20 123.80 2jkt s ILE 290 Ca 0.06 -1.83 -0.18 0.00 0.00 0.00 0.00 60.65 58.70 2jkt s ILE 290 Cb -0.14 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.51 2jkt s ILE 290 CO -0.02 -0.80 0.49 -2.16 0.00 0.00 0.00 174.94 172.44 2jkt s PRO 291 N 1.28 3.09 -0.93 2.79 0.05 -1.26 -2.56 135.00 137.45 2jkt s PRO 291 Ca 0.06 -0.90 -0.13 0.00 0.05 0.00 0.00 61.00 60.09 2jkt s PRO 291 Cb -0.26 -4.04 0.24 0.00 0.05 0.00 0.00 34.50 30.49 2jkt s PRO 291 CO -0.01 -1.01 0.91 -0.51 0.05 0.00 0.00 177.00 176.43 2jkt s LEU 292 N 2.22 6.55 0.00 -3.56 1.43 -0.02 -4.96 118.68 120.33 2jkt s LEU 292 Ca 0.12 -2.98 0.00 0.00 -1.03 0.00 0.00 54.13 50.24 2jkt s LEU 292 Cb -0.19 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2jkt s LEU 292 CO 0.12 -0.50 0.00 0.55 0.23 0.00 0.00 176.35 176.75 2jkt n VAL 293 N 3.60 0.00 0.00 -1.59 3.14 -1.26 -1.92 118.33 120.31 2jkt n VAL 293 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 2jkt n VAL 293 Cb 0.44 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 2jkt n VAL 293 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jkt n ARG 294 N -1.03 0.00 -2.56 1.45 3.00 -1.18 -4.82 116.66 111.52 2jkt n ARG 294 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2jkt n ARG 294 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2jkt n ARG 294 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jkt s GLU 295 N 0.00 3.44 -0.94 -0.14 2.02 -1.26 -2.83 118.70 118.99 2jkt s GLU 295 Ca 0.00 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 53.98 2jkt s GLU 295 Cb 0.00 -4.91 0.07 0.00 0.10 0.00 0.00 34.13 29.39 2jkt s GLU 295 CO 0.00 -2.18 1.33 0.54 0.02 0.00 0.00 175.26 174.96 2jkt s VAL 296 N 5.25 4.11 0.02 2.63 0.11 -1.22 -4.87 120.40 126.43 2jkt s VAL 296 Ca 0.42 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2jkt s VAL 296 Cb -0.03 -4.96 0.00 0.00 -1.53 0.00 0.00 36.38 29.86 2jkt s VAL 296 CO -0.00 -1.80 0.00 0.61 -3.33 0.00 0.00 175.10 170.57 2jkt n GLY 297 N 6.29 -0.77 0.01 6.54 0.00 -1.26 -3.40 105.19 112.60 2jkt n GLY 297 Ca 0.25 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2jkt n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkt n ARG 298 N -1.69 0.05 0.00 1.61 1.74 -1.26 -4.52 116.66 112.60 2jkt n ARG 298 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2jkt n ARG 298 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2jkt n ARG 298 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jkt n THR 299 N -1.46 0.00 -3.86 0.55 5.66 -1.25 -4.74 114.28 109.19 2jkt n THR 299 Ca 0.07 0.86 -0.24 0.00 -3.05 0.00 0.00 64.05 61.68 2jkt n THR 299 Cb 0.33 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.44 2jkt n THR 299 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2jkt n LYS 300 N -0.70 0.73 -3.21 1.09 2.85 -1.22 -1.34 118.16 116.36 2jkt n LYS 300 Ca 0.00 -3.20 -0.00 0.00 -1.05 0.00 0.00 58.31 54.05 2jkt n LYS 300 Cb 0.00 0.34 -0.03 0.00 -0.65 0.00 0.00 35.03 34.69 2jkt n LYS 300 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2jkt s LEU 301 N 0.00 -1.17 -0.40 -5.58 2.96 -1.12 -3.39 118.68 109.98 2jkt s LEU 301 Ca 0.29 0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 54.69 2jkt s LEU 301 Cb -0.02 1.83 0.03 0.00 0.50 0.00 0.00 46.19 48.53 2jkt s LEU 301 CO 0.18 -0.28 0.27 -1.83 -1.32 0.00 0.00 176.35 173.38 2jkt s GLU 302 N 2.76 2.91 -0.07 1.98 -1.05 -1.13 -2.04 118.70 122.06 2jkt s GLU 302 Ca 0.18 -1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 2jkt s GLU 302 Cb -0.15 -3.90 -0.04 0.00 -0.44 0.00 0.00 34.13 29.60 2jkt s GLU 302 CO -0.20 -0.75 0.13 0.08 0.95 0.00 0.00 175.26 175.46 2jkt s VAL 303 N 1.63 5.24 -0.02 1.83 1.01 -0.68 -3.08 120.40 126.33 2jkt s VAL 303 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2jkt s VAL 303 Cb -0.19 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 2jkt s VAL 303 CO 0.09 0.51 -0.12 -0.75 0.00 0.00 0.00 175.10 174.82 2jkt s LYS 304 N -1.34 1.17 -0.02 2.72 2.20 -0.81 -0.13 119.74 123.54 2jkt s LYS 304 Ca 0.19 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 2jkt s LYS 304 Cb -0.12 -1.08 -0.00 0.00 -1.51 0.00 0.00 37.83 35.11 2jkt s LYS 304 CO 0.09 0.20 -0.08 0.08 -0.36 0.00 0.00 175.35 175.28 2jkt s VAL 305 N -0.01 0.67 0.17 4.02 1.01 -0.23 -0.84 120.40 125.20 2jkt s VAL 305 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2jkt s VAL 305 Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2jkt s VAL 305 CO 0.01 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2jkt s VAL 306 N 0.05 3.87 -0.14 2.92 1.01 -1.06 -1.05 120.40 125.99 2jkt s VAL 306 Ca -0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.62 2jkt s VAL 306 Cb -0.06 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2jkt s VAL 306 CO -0.00 -0.10 -0.03 0.27 0.00 0.00 0.00 175.10 175.24 2jkt s ILE 307 N -1.72 0.83 -0.33 2.22 -4.36 0.48 -2.71 121.20 115.61 2jkt s ILE 307 Ca 0.28 -0.40 -0.15 0.00 -0.26 0.00 0.00 60.65 60.12 2jkt s ILE 307 Cb -0.09 -1.04 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 2jkt s ILE 307 CO 0.19 0.13 0.34 -0.75 0.24 0.00 0.00 174.94 175.10 2jkt s LYS 308 N 1.76 3.64 0.30 0.37 2.20 -0.64 -2.25 119.74 125.12 2jkt s LYS 308 Ca 0.02 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.02 2jkt s LYS 308 Cb -0.14 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 2jkt s LYS 308 CO -0.07 -0.46 0.88 -1.54 -0.36 0.00 0.00 175.35 173.80 2jkt s SER 309 N 1.72 7.25 -0.32 1.43 1.04 -0.87 -1.17 113.70 122.77 2jkt s SER 309 Ca 0.11 1.72 0.16 0.00 0.48 0.00 0.00 55.95 58.42 2jkt s SER 309 Cb -0.16 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.86 2jkt s SER 309 CO 0.11 -0.05 1.38 -0.46 0.98 0.00 0.00 173.24 175.20 2jkt n ASN 310 N 0.56 -0.44 -1.96 7.02 0.23 -1.07 -3.01 115.26 116.59 2jkt n ASN 310 Ca 0.01 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 2jkt n ASN 310 Cb 0.50 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2jkt n ASN 310 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2jkt n PHE 311 N -1.14 -3.14 -1.19 -2.53 1.16 -1.26 -4.89 117.46 104.46 2jkt n PHE 311 Ca -0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.17 2jkt n PHE 311 Cb 0.85 0.00 0.12 0.00 -1.61 0.00 0.00 39.48 38.84 2jkt n PHE 311 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2jkt s LYS 312 N -2.10 1.79 0.42 3.97 2.47 -1.26 -3.70 119.74 121.32 2jkt s LYS 312 Ca 0.00 1.69 0.23 0.00 -1.56 0.00 0.00 55.97 56.32 2jkt s LYS 312 Cb 0.00 -1.80 0.40 0.00 -1.46 0.00 0.00 37.83 34.97 2jkt s LYS 312 CO 0.00 -2.09 1.62 -1.35 0.16 0.00 0.00 175.35 173.69 2jkt h PRO 313 N -0.81 0.00 -0.21 4.03 0.11 -1.95 -3.20 132.00 129.97 2jkt h PRO 313 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jkt h PRO 313 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2jkt h PRO 313 CO 0.47 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 178.79 2jkt n SER 314 N -3.13 0.21 -3.65 -2.05 7.64 -1.26 -3.68 113.62 107.69 2jkt n SER 314 Ca 0.03 -1.07 -0.12 0.00 1.01 0.00 0.00 58.87 58.72 2jkt n SER 314 Cb 0.54 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 2jkt n SER 314 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jkt s LEU 315 N -0.61 0.35 -0.13 -3.43 0.05 -1.25 -5.04 118.68 108.62 2jkt s LEU 315 Ca 0.00 -0.05 -0.03 0.00 0.05 0.00 0.00 54.13 54.10 2jkt s LEU 315 Cb 0.00 1.80 -0.03 0.00 -2.05 0.00 0.00 46.19 45.91 2jkt s LEU 315 CO 0.00 -0.71 -0.02 -0.76 -0.55 0.00 0.00 176.35 174.31 2jkt s LEU 316 N -2.16 3.38 0.34 1.48 1.43 -1.26 -2.41 118.68 119.47 2jkt s LEU 316 Ca -0.04 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2jkt s LEU 316 Cb -0.00 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2jkt s LEU 316 CO -0.04 0.25 0.68 0.00 0.23 0.00 0.00 176.35 177.47 2jkt s ALA 317 N -0.12 3.45 0.17 4.21 0.00 -0.84 -4.30 121.76 124.32 2jkt s ALA 317 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2jkt s ALA 317 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2jkt s ALA 317 CO 0.02 0.17 0.08 -0.65 0.00 0.00 0.00 175.76 175.39 2jkt s GLN 318 N -3.52 1.07 -1.33 0.00 -0.21 -0.57 -2.65 119.66 112.45 2jkt s GLN 318 Ca 0.49 -1.54 -0.09 0.00 0.02 0.00 0.00 55.36 54.24 2jkt s GLN 318 Cb -0.10 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.10 2jkt s GLN 318 CO 0.28 -0.31 0.51 1.63 -2.12 0.00 0.00 175.29 175.28 2jkt n LYS 319 N -0.19 -2.28 -3.09 2.91 5.02 -1.21 -2.69 118.16 116.62 2jkt n LYS 319 Ca -0.02 0.36 -0.39 0.00 -2.02 0.00 0.00 58.31 56.24 2jkt n LYS 319 Cb 0.65 -4.15 -0.06 0.00 -0.02 0.00 0.00 35.03 31.45 2jkt n LYS 319 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkt s ILE 320 N -3.83 4.55 0.00 -0.18 1.01 -0.84 -4.07 121.20 117.84 2jkt s ILE 320 Ca 0.17 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.34 2jkt s ILE 320 Cb -0.07 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 2jkt s ILE 320 CO 0.90 0.52 -0.03 -1.61 0.00 0.00 0.00 174.94 174.72 2jkt s GLU 321 N -1.01 0.21 -0.06 2.79 2.02 -0.08 -1.73 118.70 120.84 2jkt s GLU 321 Ca 0.33 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 2jkt s GLU 321 Cb -0.21 -0.16 0.03 0.00 0.10 0.00 0.00 34.13 33.88 2jkt s GLU 321 CO 0.23 0.04 0.01 0.08 0.02 0.00 0.00 175.26 175.64 2jkt s VAL 322 N -0.21 0.30 -0.62 2.63 1.01 -0.09 -1.85 120.40 121.58 2jkt s VAL 322 Ca -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2jkt s VAL 322 Cb -0.02 -0.47 0.16 0.00 0.00 0.00 0.00 36.38 36.05 2jkt s VAL 322 CO -0.00 0.24 0.46 -0.60 0.00 0.00 0.00 175.10 175.20 2jkt s ARG 323 N 1.95 2.67 -0.21 2.72 3.52 -0.47 -1.45 118.95 127.68 2jkt s ARG 323 Ca 0.04 -2.36 -0.29 0.00 -0.13 0.00 0.00 55.73 53.00 2jkt s ARG 323 Cb -0.12 -3.86 0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2jkt s ARG 323 CO -0.05 -1.19 1.05 0.42 -0.81 0.00 0.00 175.30 174.73 2jkt s ILE 324 N 0.27 4.67 0.19 4.11 1.09 -0.77 -3.46 121.20 127.29 2jkt s ILE 324 Ca 0.15 2.00 -0.30 0.00 -1.10 0.00 0.00 60.65 61.40 2jkt s ILE 324 Cb -0.20 -4.29 -0.08 0.00 -1.06 0.00 0.00 42.46 36.83 2jkt s ILE 324 CO -0.04 -0.16 1.29 -2.16 -0.10 0.00 0.00 174.94 173.77 2jkt s PRO 325 N 3.09 4.40 0.14 2.79 0.04 -1.26 -0.83 135.00 143.38 2jkt s PRO 325 Ca 0.45 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2jkt s PRO 325 Cb -0.16 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2jkt s PRO 325 CO 0.08 -0.24 0.26 0.95 0.04 0.00 0.00 177.00 178.09 2jkt s THR 326 N 0.19 5.21 1.19 1.26 -4.23 -1.22 -4.87 115.64 113.17 2jkt s THR 326 Ca 0.57 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2jkt s THR 326 Cb -0.36 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.10 2jkt s THR 326 CO 0.37 -0.08 1.02 -2.84 -0.54 0.00 0.00 174.62 172.56 2jkt s PRO 327 N -3.16 -1.14 0.08 3.99 0.02 -1.26 -4.75 135.00 128.77 2jkt s PRO 327 Ca 0.34 0.58 0.04 0.00 0.02 0.00 0.00 61.00 61.98 2jkt s PRO 327 Cb -0.11 -1.55 -0.24 0.00 0.02 0.00 0.00 34.50 32.62 2jkt s PRO 327 CO 0.28 -3.80 1.13 -0.07 -0.33 0.00 0.00 177.00 174.20 2jkt h LEU 328 N -2.67 0.14 -3.27 -5.54 -0.00 -1.98 -3.29 115.31 98.70 2jkt h LEU 328 Ca -0.57 -0.17 -0.28 0.00 -0.00 0.00 0.00 57.88 56.86 2jkt h LEU 328 Cb 1.34 -0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 41.82 2jkt h LEU 328 CO 0.48 1.13 0.35 -0.46 -0.00 0.00 0.00 178.44 179.94 2jkt n ASN 329 N -3.37 5.49 -4.77 -0.43 6.94 -1.26 -4.93 115.26 112.93 2jkt n ASN 329 Ca -0.06 -2.92 -0.37 0.00 -0.02 0.00 0.00 54.58 51.22 2jkt n ASN 329 Cb 0.98 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2jkt n ASN 329 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2jkt s THR 330 N -1.91 2.94 0.00 5.53 2.01 -1.24 -0.11 115.64 122.87 2jkt s THR 330 Ca 0.27 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2jkt s THR 330 Cb 0.22 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2jkt s THR 330 CO 0.01 -0.06 0.00 -1.54 -0.69 0.00 0.00 174.62 172.34 2jkt n SER 331 N -0.90 0.58 -3.66 3.53 3.41 0.36 -4.62 113.62 112.33 2jkt n SER 331 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2jkt n SER 331 Cb 0.49 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 2jkt n SER 331 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jkt s GLY 332 N -0.30 -0.37 -0.10 5.00 0.00 -1.07 -4.95 107.32 105.53 2jkt s GLY 332 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 44.72 45.67 2jkt s GLY 332 CO 0.00 0.74 0.24 0.14 0.00 0.00 0.00 173.10 174.22 2jkt s VAL 333 N -0.81 -0.03 -0.02 1.40 1.01 -1.26 0.23 120.40 120.91 2jkt s VAL 333 Ca -0.09 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2jkt s VAL 333 Cb -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2jkt s VAL 333 CO 0.05 0.05 0.11 0.00 0.00 0.00 0.00 175.10 175.31 2jkt s GLN 334 N 1.04 0.27 0.43 2.72 0.00 -0.59 -5.00 119.66 118.53 2jkt s GLN 334 Ca -0.08 -0.09 0.03 0.00 -0.00 0.00 0.00 55.36 55.23 2jkt s GLN 334 Cb -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 33.01 33.02 2jkt s GLN 334 CO -0.07 -0.05 0.10 0.14 0.00 0.00 0.00 175.29 175.41 2jkt s VAL 335 N -0.56 0.76 -0.41 3.63 -7.23 -1.26 -0.20 120.40 115.14 2jkt s VAL 335 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2jkt s VAL 335 Cb -0.04 -2.33 0.17 0.00 0.56 0.00 0.00 36.38 34.74 2jkt s VAL 335 CO 0.00 0.00 0.49 -0.63 -0.31 0.00 0.00 175.10 174.65 2jkt s ILE 336 N -3.13 -0.50 0.07 -0.62 1.09 -0.91 -4.92 121.20 112.28 2jkt s ILE 336 Ca 0.20 -1.01 -0.25 0.00 -1.10 0.00 0.00 60.65 58.50 2jkt s ILE 336 Cb 0.03 -0.48 -0.06 0.00 -1.06 0.00 0.00 42.46 40.88 2jkt s ILE 336 CO 0.12 -0.45 0.76 0.00 -0.10 0.00 0.00 174.94 175.28 2jkt n MET 338 N 2.50 0.00 -1.85 0.00 2.81 -1.14 -4.88 117.12 114.56 2jkt n MET 338 Ca -0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.55 2jkt n MET 338 Cb 0.50 -0.31 0.04 0.00 -0.71 0.00 0.00 33.22 32.74 2jkt n MET 338 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2jkt s LYS 339 N 0.00 2.93 1.08 0.03 1.02 -1.26 -4.98 119.74 118.55 2jkt s LYS 339 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 2jkt s LYS 339 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2jkt s LYS 339 CO 0.00 -1.00 0.00 0.41 -0.92 0.00 0.00 175.35 173.84 2jkt n GLY 340 N -2.87 -1.57 2.96 -3.33 0.00 -1.26 -4.95 105.19 94.16 2jkt n GLY 340 Ca 0.07 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2jkt n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkt s LYS 341 N -0.85 0.21 0.08 1.61 2.20 -1.12 -4.86 119.74 117.02 2jkt s LYS 341 Ca 0.00 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.34 2jkt s LYS 341 Cb 0.00 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2jkt s LYS 341 CO 0.00 -0.04 -0.18 0.00 -0.36 0.00 0.00 175.35 174.78 2jkt s ALA 342 N -0.88 1.49 0.04 3.13 0.00 -1.26 -2.46 121.76 121.82 2jkt s ALA 342 Ca -0.10 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2jkt s ALA 342 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2jkt s ALA 342 CO -0.00 0.27 -0.13 -1.59 0.00 0.00 0.00 175.76 174.31 2jkt s LYS 343 N -1.77 0.83 -0.05 0.00 -2.85 -1.08 -4.94 119.74 109.88 2jkt s LYS 343 Ca 0.02 -0.73 -0.16 0.00 -1.00 0.00 0.00 55.97 54.10 2jkt s LYS 343 Cb -0.10 -0.80 -0.05 0.00 -2.06 0.00 0.00 37.83 34.82 2jkt s LYS 343 CO 0.03 0.19 0.43 -0.47 0.10 0.00 0.00 175.35 175.64 2jkt s TYR 344 N -0.90 3.64 -0.47 1.78 5.04 -1.26 -0.60 117.35 124.58 2jkt s TYR 344 Ca -0.00 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2jkt s TYR 344 Cb -0.08 -2.40 0.14 0.00 0.35 0.00 0.00 41.96 39.98 2jkt s TYR 344 CO 0.01 0.45 0.28 0.15 -1.34 0.00 0.00 175.55 175.10 2jkt s LYS 345 N -0.39 1.46 0.56 4.97 1.02 -0.85 -4.89 119.74 121.62 2jkt s LYS 345 Ca 0.24 -2.23 0.29 0.00 0.02 0.00 0.00 55.97 54.30 2jkt s LYS 345 Cb -0.16 -2.50 1.66 0.00 -0.52 0.00 0.00 37.83 36.31 2jkt s LYS 345 CO 0.12 -1.18 2.17 0.00 -0.92 0.00 0.00 175.35 175.53 2jkt h ALA 346 N 6.48 1.39 -1.41 5.17 0.00 -1.96 0.13 119.26 129.07 2jkt h ALA 346 Ca 0.02 -0.05 0.41 0.00 0.00 0.00 0.00 54.91 55.28 2jkt h ALA 346 Cb 0.90 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2jkt h ALA 346 CO 0.52 0.07 1.17 0.43 0.00 0.00 0.00 179.25 181.44 2jkt n SER 347 N -3.72 0.00 -0.61 0.00 7.64 -1.26 -1.96 113.62 113.71 2jkt n SER 347 Ca -0.02 0.78 -0.00 0.00 1.01 0.00 0.00 58.87 60.63 2jkt n SER 347 Cb 0.16 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 2jkt n SER 347 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jkt n GLU 348 N -3.40 0.00 -3.47 1.43 0.28 0.25 -5.08 120.64 110.65 2jkt n GLU 348 Ca 0.32 -0.52 -0.17 0.00 -0.16 0.00 0.00 57.16 56.63 2jkt n GLU 348 Cb 1.59 -0.10 0.01 0.00 1.43 0.00 0.00 31.44 34.37 2jkt n GLU 348 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jkt n ASN 349 N 0.03 -6.17 0.00 -1.84 3.02 0.02 -5.01 115.26 105.31 2jkt n ASN 349 Ca -0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2jkt n ASN 349 Cb 0.62 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 2jkt n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt n ALA 350 N -2.75 0.00 -2.06 5.41 0.00 -1.19 -3.42 120.51 116.50 2jkt n ALA 350 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2jkt n ALA 350 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 2jkt n ALA 350 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jkt s ILE 351 N -1.85 3.76 -0.36 0.00 1.01 -0.01 -2.01 121.20 121.74 2jkt s ILE 351 Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.18 2jkt s ILE 351 Cb 0.00 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.61 2jkt s ILE 351 CO 0.00 0.25 0.10 -0.69 0.00 0.00 0.00 174.94 174.60 2jkt s VAL 352 N -0.17 1.83 0.02 2.92 1.01 0.24 -1.84 120.40 124.42 2jkt s VAL 352 Ca 0.51 -2.18 -0.21 0.00 0.00 0.00 0.00 61.98 60.10 2jkt s VAL 352 Cb -0.30 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2jkt s VAL 352 CO 0.36 -0.66 0.60 0.86 0.00 0.00 0.00 175.10 176.25 2jkt s TRP 353 N 0.95 3.73 -0.10 5.22 -0.00 -0.53 -2.64 118.94 125.57 2jkt s TRP 353 Ca 0.12 1.24 -0.00 0.00 -0.00 0.00 0.00 56.10 57.46 2jkt s TRP 353 Cb -0.20 -2.59 0.02 0.00 -0.00 0.00 0.00 33.47 30.71 2jkt s TRP 353 CO -0.12 0.42 -0.07 0.15 -0.00 0.00 0.00 176.95 177.33 2jkt s LYS 354 N -0.47 1.37 -0.10 5.86 1.02 -1.03 -0.92 119.74 125.48 2jkt s LYS 354 Ca 0.31 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 2jkt s LYS 354 Cb -0.19 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2jkt s LYS 354 CO 0.18 -0.22 0.01 0.42 -0.92 0.00 0.00 175.35 174.82 2jkt s ILE 355 N 1.54 4.35 0.09 2.17 -1.09 -0.71 -2.79 121.20 124.76 2jkt s ILE 355 Ca 0.01 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 2jkt s ILE 355 Cb -0.13 -2.84 -0.26 0.00 -1.58 0.00 0.00 42.46 37.65 2jkt s ILE 355 CO -0.06 0.59 1.18 0.50 -1.23 0.00 0.00 174.94 175.93 2jkt h LYS 356 N 5.33 0.20 -1.37 2.79 1.63 -1.95 -2.23 116.57 120.97 2jkt h LYS 356 Ca -0.49 -0.34 0.14 0.00 -0.85 0.00 0.00 60.65 59.11 2jkt h LYS 356 Cb 1.19 0.13 -0.25 0.00 -0.60 0.00 0.00 32.23 32.70 2jkt h LYS 356 CO 0.56 1.16 0.70 -0.98 -3.45 0.00 0.00 179.45 177.43 2jkt s ARG 357 N -2.69 0.38 -0.22 1.90 1.70 -1.26 -3.36 118.95 115.40 2jkt s ARG 357 Ca -0.03 0.12 -0.20 0.00 -0.47 0.00 0.00 55.73 55.15 2jkt s ARG 357 Cb 0.08 0.18 0.06 0.00 -0.57 0.00 0.00 34.95 34.70 2jkt s ARG 357 CO 0.87 -0.12 0.57 0.00 -1.08 0.00 0.00 175.30 175.55 2jkt s MET 358 N -0.98 0.67 1.04 3.89 0.23 -1.08 -5.01 119.30 118.06 2jkt s MET 358 Ca 0.02 0.80 -0.17 0.00 -1.03 0.00 0.00 55.69 55.32 2jkt s MET 358 Cb -0.01 0.32 0.22 0.00 -1.53 0.00 0.00 34.83 33.84 2jkt s MET 358 CO -0.03 -0.08 1.23 0.00 -2.03 0.00 0.00 175.02 174.11 2jkt s ALA 359 N 0.34 1.61 0.38 3.16 0.00 -1.26 -1.98 121.76 124.00 2jkt s ALA 359 Ca -0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 2jkt s ALA 359 Cb -0.04 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2jkt s ALA 359 CO 0.00 -2.84 1.06 0.20 0.00 0.00 0.00 175.76 174.19 2jkt s GLY 360 N -4.45 2.80 -0.86 0.00 0.00 -1.01 -3.76 107.32 100.04 2jkt s GLY 360 Ca 0.72 0.75 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2jkt s GLY 360 CO 0.54 1.21 0.00 1.03 0.00 0.00 0.00 173.10 175.88 2jkt n MET 361 N 0.16 -0.78 -3.45 2.90 2.81 -1.16 -4.17 117.12 113.42 2jkt n MET 361 Ca 0.04 0.73 -0.23 0.00 -1.81 0.00 0.00 57.70 56.43 2jkt n MET 361 Cb 0.49 -4.63 0.03 0.00 -0.71 0.00 0.00 33.22 28.40 2jkt n MET 361 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jkt s LYS 362 N -2.46 2.26 0.27 0.03 2.20 -1.25 -4.97 119.74 115.83 2jkt s LYS 362 Ca 0.00 -1.85 -0.05 0.00 -0.36 0.00 0.00 55.97 53.71 2jkt s LYS 362 Cb 0.00 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2jkt s LYS 362 CO 0.00 -0.78 0.37 -1.21 -0.36 0.00 0.00 175.35 173.37 2jkt s GLU 363 N -4.50 1.59 0.23 4.03 2.02 -1.26 -2.06 118.70 118.75 2jkt s GLU 363 Ca 0.48 -1.57 -0.22 0.00 0.02 0.00 0.00 54.97 53.69 2jkt s GLU 363 Cb -0.04 0.40 0.04 0.00 0.10 0.00 0.00 34.13 34.63 2jkt s GLU 363 CO 0.30 -0.63 0.71 -1.12 0.02 0.00 0.00 175.26 174.54 2jkt s SER 364 N -3.15 -0.34 0.05 -0.19 0.01 -0.95 -4.98 113.70 104.14 2jkt s SER 364 Ca 0.31 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 2jkt s SER 364 Cb 0.02 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2jkt s SER 364 CO 0.15 -1.21 -0.03 -1.58 0.41 0.00 0.00 173.24 170.98 2jkt s GLN 365 N -3.82 0.58 -0.08 12.44 0.74 -1.26 -0.39 119.66 127.86 2jkt s GLN 365 Ca 0.08 -1.14 -0.21 0.00 0.05 0.00 0.00 55.36 54.14 2jkt s GLN 365 Cb -0.04 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.31 2jkt s GLN 365 CO 0.01 -0.10 0.49 -1.50 -0.55 0.00 0.00 175.29 173.64 2jkt s ILE 366 N -3.62 0.02 -0.12 -2.34 2.07 -0.22 -2.90 121.20 114.09 2jkt s ILE 366 Ca 0.04 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.07 2jkt s ILE 366 Cb 0.06 -0.77 0.06 0.00 0.13 0.00 0.00 42.46 41.94 2jkt s ILE 366 CO -0.09 -0.10 0.13 -0.44 -1.91 0.00 0.00 174.94 172.54 2jkt s SER 367 N -0.76 1.39 0.04 4.50 0.01 -1.21 -1.06 113.70 116.61 2jkt s SER 367 Ca -0.08 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2jkt s SER 367 Cb -0.03 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2jkt s SER 367 CO 0.05 -0.29 0.05 0.00 0.41 0.00 0.00 173.24 173.46 2jkt s ALA 368 N 2.23 3.46 -0.04 1.44 0.00 0.81 -2.14 121.76 127.51 2jkt s ALA 368 Ca 0.04 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.07 2jkt s ALA 368 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2jkt s ALA 368 CO -0.07 0.71 -0.19 -1.21 0.00 0.00 0.00 175.76 174.99 2jkt s GLU 369 N -2.03 2.40 -0.38 0.00 2.02 0.73 -1.69 118.70 119.74 2jkt s GLU 369 Ca 0.25 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.45 2jkt s GLU 369 Cb -0.12 -2.25 0.13 0.00 0.10 0.00 0.00 34.13 31.99 2jkt s GLU 369 CO 0.17 0.57 0.19 0.42 0.02 0.00 0.00 175.26 176.63 2jkt s ILE 370 N -0.61 0.96 0.34 -1.63 1.01 -0.87 -1.54 121.20 118.87 2jkt s ILE 370 Ca 0.09 -2.03 -0.29 0.00 0.00 0.00 0.00 60.65 58.42 2jkt s ILE 370 Cb -0.11 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.56 2jkt s ILE 370 CO 0.00 -0.85 1.55 -1.61 0.00 0.00 0.00 174.94 174.03 2jkt s GLU 371 N 0.88 4.10 -0.11 2.79 8.01 0.13 -2.80 118.70 131.71 2jkt s GLU 371 Ca 0.15 2.60 0.01 0.00 0.01 0.00 0.00 54.97 57.74 2jkt s GLU 371 Cb -0.22 -2.99 0.02 0.00 -4.31 0.00 0.00 34.13 26.63 2jkt s GLU 371 CO -0.07 -0.60 -0.12 -0.51 0.01 0.00 0.00 175.26 173.98 2jkt s LEU 372 N -1.38 1.50 0.33 1.80 1.43 -0.45 -0.48 118.68 121.44 2jkt s LEU 372 Ca 0.58 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2jkt s LEU 372 Cb -0.48 -0.96 -0.13 0.00 0.03 0.00 0.00 46.19 44.66 2jkt s LEU 372 CO 0.57 -0.04 1.12 0.18 0.23 0.00 0.00 176.35 178.40 2jkt n LEU 373 N 4.48 2.62 -0.34 1.79 4.77 0.85 -4.70 117.00 126.47 2jkt n LEU 373 Ca -0.17 1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.86 2jkt n LEU 373 Cb 0.51 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.13 2jkt n LEU 373 CO 0.21 -1.07 0.48 -0.65 -1.33 0.00 0.00 177.39 175.04 2jkt h PRO 374 N 2.11 -0.07 -3.41 3.23 0.11 -1.90 -3.48 132.00 128.59 2jkt h PRO 374 Ca -0.43 0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.99 2jkt h PRO 374 Cb 1.32 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.27 2jkt h PRO 374 CO 0.61 -0.05 -1.22 -2.37 -0.21 0.00 0.00 178.00 174.76 2jkt n THR 375 N -5.13 -1.09 -0.02 -1.15 5.66 -1.26 -4.78 114.28 106.50 2jkt n THR 375 Ca 0.01 0.98 -0.12 0.00 -3.05 0.00 0.00 64.05 61.87 2jkt n THR 375 Cb 0.26 -1.48 -0.14 0.00 -1.55 0.00 0.00 70.33 67.42 2jkt n THR 375 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jkt n ASN 376 N -4.12 1.15 0.00 1.09 5.15 -1.26 -5.08 115.26 112.18 2jkt n ASN 376 Ca -0.09 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2jkt n ASN 376 Cb 0.65 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2jkt n ASN 376 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2jkt n ASP 377 N -3.14 0.00 0.00 1.20 5.75 -1.26 -5.04 116.55 114.06 2jkt n ASP 377 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 2jkt n ASP 377 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 2jkt n ASP 377 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jkt n LYS 378 N 0.00 0.00 0.25 0.11 4.76 -1.26 -4.84 118.16 117.18 2jkt n LYS 378 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2jkt n LYS 378 Cb 0.00 -3.48 -0.05 0.00 -1.84 0.00 0.00 35.03 29.66 2jkt n LYS 378 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jkt h LYS 379 N 0.72 -0.63 0.00 1.97 3.64 -2.03 -3.44 116.57 116.80 2jkt h LYS 379 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jkt h LYS 379 Cb 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2jkt h LYS 379 CO 0.00 -0.42 0.00 1.63 -2.27 0.00 0.00 179.45 178.39 2jkt n LYS 380 N -4.03 0.00 0.00 1.90 5.02 -1.26 -4.68 118.16 115.10 2jkt n LYS 380 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jkt n LYS 380 Cb 0.26 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2jkt n LYS 380 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2jkt n TRP 381 N -0.13 0.00 -0.92 2.13 -0.00 -1.26 -4.53 117.44 112.73 2jkt n TRP 381 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2jkt n TRP 381 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2jkt n TRP 381 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jkt n ALA 382 N 0.00 0.00 -0.15 5.87 0.00 -1.26 -4.56 120.51 120.41 2jkt n ALA 382 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jkt n ALA 382 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2jkt n ALA 382 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jkt n ARG 383 N 0.15 0.00 -0.75 0.00 1.85 -1.26 -4.85 116.66 111.79 2jkt n ARG 383 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 2jkt n ARG 383 Cb 0.37 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 31.92 2jkt n ARG 383 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jkt n PRO 384 N 0.22 -0.94 -1.60 2.89 -0.04 -1.26 -4.67 135.00 129.60 2jkt n PRO 384 Ca 0.00 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.92 2jkt n PRO 384 Cb 0.00 -1.68 0.12 0.00 -0.04 0.00 0.00 33.50 31.91 2jkt n PRO 384 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jkt s PRO 385 N -3.35 1.34 -0.48 0.54 0.02 -1.26 -4.47 135.00 127.34 2jkt s PRO 385 Ca 0.54 0.27 -0.24 0.00 0.02 0.00 0.00 61.00 61.60 2jkt s PRO 385 Cb -0.14 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.55 2jkt s PRO 385 CO 0.68 -2.06 0.85 0.42 -0.33 0.00 0.00 177.00 176.56 2jkt s ILE 386 N -3.33 4.55 0.20 2.83 1.01 0.21 -4.61 121.20 122.06 2jkt s ILE 386 Ca 0.63 0.41 -0.20 0.00 0.00 0.00 0.00 60.65 61.50 2jkt s ILE 386 Cb -0.14 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 2jkt s ILE 386 CO 0.53 -0.85 0.70 -0.94 0.00 0.00 0.00 174.94 174.38 2jkt s SER 387 N 2.37 7.08 0.23 3.58 1.04 -1.22 -0.86 113.70 125.91 2jkt s SER 387 Ca 0.31 1.40 0.11 0.00 0.48 0.00 0.00 55.95 58.25 2jkt s SER 387 Cb -0.12 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 2jkt s SER 387 CO 0.22 0.08 -0.17 -0.04 0.98 0.00 0.00 173.24 174.32 2jkt s MET 388 N -1.79 1.78 -0.07 4.02 -1.94 -0.41 -1.37 119.30 119.52 2jkt s MET 388 Ca 0.40 -1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 52.80 2jkt s MET 388 Cb -0.18 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.79 2jkt s MET 388 CO 0.21 0.38 0.13 -0.80 -0.01 0.00 0.00 175.02 174.93 2jkt s ASN 389 N -3.13 0.87 0.35 3.03 -0.87 -0.77 -4.21 114.94 110.21 2jkt s ASN 389 Ca 0.26 0.26 -0.13 0.00 -1.57 0.00 0.00 52.86 51.68 2jkt s ASN 389 Cb -0.07 0.15 0.03 0.00 -0.02 0.00 0.00 41.25 41.35 2jkt s ASN 389 CO 0.14 -0.25 0.68 0.72 -2.57 0.00 0.00 177.10 175.82 2jkt s PHE 390 N 2.26 0.32 -0.16 2.20 -0.12 -1.26 -0.90 117.98 120.33 2jkt s PHE 390 Ca 0.04 -0.84 -0.15 0.00 -0.05 0.00 0.00 56.93 55.93 2jkt s PHE 390 Cb -0.12 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2jkt s PHE 390 CO -0.05 -1.38 0.42 -2.00 -0.05 0.00 0.00 175.22 172.16 2jkt s GLU 391 N -2.84 0.50 -0.09 1.99 2.12 -1.10 -2.26 118.70 117.02 2jkt s GLU 391 Ca 0.19 0.57 -0.12 0.00 0.36 0.00 0.00 54.97 55.97 2jkt s GLU 391 Cb -0.04 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.62 2jkt s GLU 391 CO 0.13 -0.06 0.32 0.14 -0.54 0.00 0.00 175.26 175.24 2jkt s VAL 392 N 0.20 0.02 -0.07 3.70 -7.23 -0.29 -1.52 120.40 115.21 2jkt s VAL 392 Ca -0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2jkt s VAL 392 Cb -0.03 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.41 2jkt s VAL 392 CO 0.01 -0.09 0.48 -2.65 -0.31 0.00 0.00 175.10 172.54 2jkt n PRO 393 N 2.40 0.49 -3.99 4.82 -0.02 -1.26 -0.40 135.00 137.04 2jkt n PRO 393 Ca -0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.21 2jkt n PRO 393 Cb 0.57 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.77 2jkt n PRO 393 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2jkt s PHE 394 N 0.40 0.58 -0.34 6.00 -0.12 -1.26 -4.64 117.98 118.60 2jkt s PHE 394 Ca 0.00 -0.97 -0.07 0.00 -0.05 0.00 0.00 56.93 55.84 2jkt s PHE 394 Cb 0.00 0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2jkt s PHE 394 CO 0.00 -1.20 0.12 0.00 -0.05 0.00 0.00 175.22 174.10 2jkt s ALA 395 N -3.22 3.10 -0.11 1.99 0.00 -1.26 -3.38 121.76 118.88 2jkt s ALA 395 Ca 0.24 -1.70 0.09 0.00 0.00 0.00 0.00 51.96 50.59 2jkt s ALA 395 Cb -0.02 -2.33 0.50 0.00 0.00 0.00 0.00 23.12 21.27 2jkt s ALA 395 CO 0.14 -1.30 1.14 -2.30 0.00 0.00 0.00 175.76 173.44 2jkt n PRO 396 N 4.86 0.06 0.17 0.00 -0.02 -1.26 0.10 135.00 138.91 2jkt n PRO 396 Ca -0.13 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2jkt n PRO 396 Cb 0.45 -2.01 0.28 0.00 -0.02 0.00 0.00 33.50 32.20 2jkt n PRO 396 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jkt h SER 397 N 0.00 0.00 0.00 2.55 4.64 -1.93 -0.55 113.55 118.26 2jkt h SER 397 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkt h SER 397 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2jkt h SER 397 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2jkt n GLY 398 N 0.20 0.47 3.70 -0.77 0.00 0.29 -4.63 105.19 104.44 2jkt n GLY 398 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2jkt n GLY 398 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jkt n LEU 399 N 0.00 5.31 -3.67 0.99 7.94 -1.25 -4.89 117.00 121.43 2jkt n LEU 399 Ca 0.00 0.78 -0.10 0.00 -1.11 0.00 0.00 56.01 55.58 2jkt n LEU 399 Cb 0.00 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.33 2jkt n LEU 399 CO 0.00 -1.30 0.01 -0.54 -1.11 0.00 0.00 177.39 174.45 2jkt s LYS 400 N -3.38 0.32 -0.61 1.96 1.02 -1.26 -4.46 119.74 113.32 2jkt s LYS 400 Ca 0.80 0.89 -0.27 0.00 0.02 0.00 0.00 55.97 57.41 2jkt s LYS 400 Cb -0.37 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2jkt s LYS 400 CO 0.43 -0.22 1.45 0.08 -0.92 0.00 0.00 175.35 176.17 2jkt s VAL 401 N 2.12 3.71 -0.20 3.17 1.01 -1.26 -2.54 120.40 126.41 2jkt s VAL 401 Ca -0.04 0.54 0.18 0.00 0.00 0.00 0.00 61.98 62.66 2jkt s VAL 401 Cb -0.11 -4.48 0.04 0.00 0.00 0.00 0.00 36.38 31.83 2jkt s VAL 401 CO -0.12 -1.29 1.22 0.03 0.00 0.00 0.00 175.10 174.93 2jkt h ARG 402 N 11.39 0.00 -1.25 2.72 2.47 -1.49 -3.48 114.38 124.73 2jkt h ARG 402 Ca -0.27 0.00 0.27 0.00 -1.26 0.00 0.00 59.98 58.72 2jkt h ARG 402 Cb 1.09 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.20 2jkt h ARG 402 CO 1.21 0.28 0.88 1.52 0.56 0.00 0.00 179.97 184.42 2jkt s TYR 403 N -3.06 -0.08 -0.27 3.04 -0.85 -0.79 -4.97 117.35 110.37 2jkt s TYR 403 Ca 0.02 0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 56.63 2jkt s TYR 403 Cb 0.08 0.50 0.13 0.00 0.38 0.00 0.00 41.96 43.05 2jkt s TYR 403 CO 0.76 -0.11 0.31 -1.17 -1.52 0.00 0.00 175.55 173.82 2jkt s LEU 404 N -1.84 -0.35 -0.18 -3.49 2.96 -1.26 -1.50 118.68 113.02 2jkt s LEU 404 Ca 0.10 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2jkt s LEU 404 Cb -0.01 0.66 -0.05 0.00 0.50 0.00 0.00 46.19 47.29 2jkt s LEU 404 CO -0.04 -0.36 0.12 -0.75 -1.32 0.00 0.00 176.35 174.00 2jkt s LYS 405 N 2.41 4.01 -0.22 1.98 2.20 -0.43 -4.93 119.74 124.76 2jkt s LYS 405 Ca 0.09 -0.22 -0.07 0.00 -0.36 0.00 0.00 55.97 55.41 2jkt s LYS 405 Cb -0.14 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2jkt s LYS 405 CO -0.27 0.40 0.07 0.08 -0.36 0.00 0.00 175.35 175.27 2jkt s VAL 406 N 0.07 4.56 -0.15 4.02 1.01 -1.26 -0.33 120.40 128.32 2jkt s VAL 406 Ca 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2jkt s VAL 406 Cb -0.11 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2jkt s VAL 406 CO -0.01 0.39 -0.19 0.12 0.00 0.00 0.00 175.10 175.41 2jkt s PHE 407 N 1.00 2.72 -0.15 5.22 2.19 -0.73 -4.32 117.98 123.91 2jkt s PHE 407 Ca 0.04 -1.29 -0.04 0.00 0.33 0.00 0.00 56.93 55.97 2jkt s PHE 407 Cb -0.14 -1.86 0.07 0.00 -1.31 0.00 0.00 43.02 39.78 2jkt s PHE 407 CO 0.03 -0.60 0.14 -2.00 1.83 0.00 0.00 175.22 174.62 2jkt s GLU 408 N 0.89 0.08 0.00 10.12 2.56 -1.26 -0.59 118.70 130.51 2jkt s GLU 408 Ca -0.05 0.18 0.08 0.00 0.00 0.00 0.00 54.97 55.18 2jkt s GLU 408 Cb -0.15 -1.20 -0.23 0.00 2.00 0.00 0.00 34.13 34.55 2jkt s GLU 408 CO -0.03 -0.56 0.84 -1.00 -0.56 0.00 0.00 175.26 173.95 2jkt h PRO 409 N 8.38 0.05 0.39 4.30 0.14 -1.97 -1.08 132.00 142.22 2jkt h PRO 409 Ca -0.15 -0.09 -0.02 0.00 0.14 0.00 0.00 66.00 65.88 2jkt h PRO 409 Cb 1.14 0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.32 2jkt h PRO 409 CO 0.24 0.76 -0.19 0.87 0.14 0.00 0.00 178.00 179.83 2jkt h LYS 410 N 0.01 -0.51 0.00 0.86 6.56 -1.97 -3.29 116.57 118.24 2jkt h LYS 410 Ca -0.21 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 2jkt h LYS 410 Cb 1.95 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.73 2jkt h LYS 410 CO 0.11 -0.25 -0.19 1.28 -2.06 0.00 0.00 179.45 178.34 2jkt n LEU 411 N -5.14 0.34 -3.12 2.94 4.77 -1.26 -4.95 117.00 110.58 2jkt n LEU 411 Ca -0.08 0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 56.08 2jkt n LEU 411 Cb 0.25 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2jkt n LEU 411 CO 0.21 -0.01 -0.14 -0.46 -1.33 0.00 0.00 177.39 175.67 2jkt n ASN 412 N -1.70 -0.35 -4.78 -1.43 6.94 -0.41 -4.93 115.26 108.60 2jkt n ASN 412 Ca 0.06 -0.61 -0.35 0.00 -0.02 0.00 0.00 54.58 53.67 2jkt n ASN 412 Cb 0.37 -0.77 -0.00 0.00 -2.36 0.00 0.00 39.78 37.02 2jkt n ASN 412 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2jkt s TYR 413 N -2.70 2.73 0.18 -2.53 -0.85 -1.26 -4.97 117.35 107.96 2jkt s TYR 413 Ca 0.25 1.55 -0.31 0.00 -0.52 0.00 0.00 57.07 58.04 2jkt s TYR 413 Cb -0.14 -3.24 -0.09 0.00 0.38 0.00 0.00 41.96 38.87 2jkt s TYR 413 CO 0.49 -1.43 1.40 0.45 -1.52 0.00 0.00 175.55 174.94 2jkt s SER 414 N -1.84 6.78 0.59 -0.18 0.15 -1.26 -4.75 113.70 113.19 2jkt s SER 414 Ca 0.71 2.46 0.29 0.00 0.70 0.00 0.00 55.95 60.12 2jkt s SER 414 Cb -0.22 -2.60 1.41 0.00 -1.71 0.00 0.00 66.02 62.90 2jkt s SER 414 CO 0.26 -0.65 1.82 -0.78 1.20 0.00 0.00 173.24 175.09 2jkt h ASP 415 N 5.96 0.00 1.77 5.45 -0.00 -1.94 0.18 116.42 127.84 2jkt h ASP 415 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 2jkt h ASP 415 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2jkt h ASP 415 CO 0.82 0.00 -0.05 0.45 -0.00 0.00 0.00 179.24 180.47 2jkt h HIS 416 N 0.00 0.00 -0.56 0.28 3.86 -1.92 -3.17 115.15 113.64 2jkt h HIS 416 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2jkt h HIS 416 Cb 1.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.94 2jkt h HIS 416 CO 0.00 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.54 2jkt n ASP 417 N -2.78 3.20 -4.64 2.45 8.00 0.61 -4.85 116.55 118.53 2jkt n ASP 417 Ca 0.04 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.16 2jkt n ASP 417 Cb 0.50 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 2jkt n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkt s VAL 418 N -1.26 5.03 0.02 2.53 1.01 -1.20 -4.46 120.40 122.08 2jkt s VAL 418 Ca 0.40 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 2jkt s VAL 418 Cb 0.21 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2jkt s VAL 418 CO 0.28 0.09 1.31 -0.63 0.00 0.00 0.00 175.10 176.15 2jkt s ILE 419 N 2.17 3.83 -0.10 2.22 -1.09 0.26 -4.95 121.20 123.53 2jkt s ILE 419 Ca 0.25 1.26 -0.03 0.00 -2.23 0.00 0.00 60.65 59.90 2jkt s ILE 419 Cb -0.16 -3.81 0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2jkt s ILE 419 CO 0.09 0.04 0.04 -0.54 -1.23 0.00 0.00 174.94 173.34 2jkt s LYS 420 N 1.81 0.30 0.08 2.79 1.02 -1.26 -0.93 119.74 123.55 2jkt s LYS 420 Ca 0.61 0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.71 2jkt s LYS 420 Cb -0.30 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 2jkt s LYS 420 CO 0.27 -0.45 -0.14 1.67 -0.92 0.00 0.00 175.35 175.78 2jkt s TRP 421 N 2.05 1.22 -0.11 3.18 -2.14 -1.19 -5.05 118.94 116.89 2jkt s TRP 421 Ca 0.03 -0.49 -0.10 0.00 2.66 0.00 0.00 56.10 58.20 2jkt s TRP 421 Cb -0.14 -0.68 0.03 0.00 -3.10 0.00 0.00 33.47 29.59 2jkt s TRP 421 CO -0.06 0.06 0.30 0.54 -2.66 0.00 0.00 176.95 175.13 2jkt s VAL 422 N -1.52 -0.00 -0.01 -0.66 0.11 -1.26 -1.74 120.40 115.32 2jkt s VAL 422 Ca 0.00 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2jkt s VAL 422 Cb -0.09 -0.42 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2jkt s VAL 422 CO 0.02 0.01 -0.06 0.00 -3.33 0.00 0.00 175.10 171.74 2jkt s ARG 423 N 0.29 0.54 0.15 1.54 1.70 -0.82 -4.97 118.95 117.38 2jkt s ARG 423 Ca -0.01 -0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 2jkt s ARG 423 Cb -0.03 -0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 33.77 2jkt s ARG 423 CO -0.01 0.12 0.41 0.71 -1.08 0.00 0.00 175.30 175.45 2jkt s TYR 424 N -0.08 3.47 -0.38 5.89 1.51 -1.26 -1.32 117.35 125.18 2jkt s TYR 424 Ca 0.02 0.63 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 2jkt s TYR 424 Cb -0.03 -2.06 0.16 0.00 -0.11 0.00 0.00 41.96 39.91 2jkt s TYR 424 CO -0.00 0.41 0.30 0.42 -1.11 0.00 0.00 175.55 175.57 2jkt s ILE 425 N -1.67 0.11 -0.47 2.71 -1.09 0.17 -4.36 121.20 116.61 2jkt s ILE 425 Ca 0.42 -1.98 -0.22 0.00 -2.23 0.00 0.00 60.65 56.63 2jkt s ILE 425 Cb -0.12 -1.07 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 2jkt s ILE 425 CO 0.24 -1.01 0.76 -0.83 -1.23 0.00 0.00 174.94 172.87 2jkt s GLY 426 N 0.69 1.61 0.27 6.18 0.00 0.46 -1.51 107.32 115.03 2jkt s GLY 426 Ca 0.25 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2jkt s GLY 426 CO -0.08 1.73 0.42 0.50 0.00 0.00 0.00 173.10 175.67 2jkt s ARG 427 N 3.21 3.46 -0.03 2.90 0.52 0.24 -1.14 118.95 128.12 2jkt s ARG 427 Ca 0.27 -0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 54.61 2jkt s ARG 427 Cb -0.13 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2jkt s ARG 427 CO 0.20 0.34 0.80 -1.54 0.02 0.00 0.00 175.30 175.13 2jkt s SER 428 N -3.95 7.15 0.00 0.23 1.04 -0.96 -1.86 113.70 115.35 2jkt s SER 428 Ca 0.36 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2jkt s SER 428 Cb -0.09 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2jkt s SER 428 CO 0.31 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2jkt n GLY 429 N 2.92 0.48 3.37 7.32 0.00 -0.27 -4.85 105.19 114.15 2jkt n GLY 429 Ca 0.01 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 2jkt n GLY 429 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkt s ILE 430 N 0.00 5.13 -0.92 -0.61 -4.36 -1.26 -4.96 121.20 114.21 2jkt s ILE 430 Ca 0.00 -1.11 -0.04 0.00 -0.26 0.00 0.00 60.65 59.24 2jkt s ILE 430 Cb 0.00 -4.25 0.23 0.00 1.25 0.00 0.00 42.46 39.68 2jkt s ILE 430 CO 0.00 -0.76 0.83 -0.47 0.24 0.00 0.00 174.94 174.78 2jkt s TYR 431 N 1.88 3.95 -0.18 1.37 5.04 -1.26 -2.41 117.35 125.74 2jkt s TYR 431 Ca 0.06 -2.92 -0.08 0.00 -2.44 0.00 0.00 57.07 51.69 2jkt s TYR 431 Cb -0.25 -3.38 -0.04 0.00 0.35 0.00 0.00 41.96 38.64 2jkt s TYR 431 CO 0.06 -0.79 0.08 -1.21 -1.34 0.00 0.00 175.55 172.35 2jkt s GLU 432 N -1.23 3.96 -0.10 4.97 2.02 -0.62 -1.29 118.70 126.40 2jkt s GLU 432 Ca 0.27 -0.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2jkt s GLU 432 Cb -0.09 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2jkt s GLU 432 CO -0.11 0.33 -0.03 0.99 0.02 0.00 0.00 175.26 176.46 2jkt s THR 433 N 0.22 4.01 0.17 3.63 2.01 -0.04 -1.51 115.64 124.12 2jkt s THR 433 Ca 0.06 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2jkt s THR 433 Cb -0.12 -2.70 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 2jkt s THR 433 CO -0.00 0.56 1.16 -0.13 -0.69 0.00 0.00 174.62 175.52 2jkt s ARG 434 N -0.44 4.52 0.00 4.92 0.52 0.28 0.66 118.95 129.42 2jkt s ARG 434 Ca 0.07 1.80 0.28 0.00 -0.52 0.00 0.00 55.73 57.36 2jkt s ARG 434 Cb -0.12 -3.27 1.12 0.00 0.52 0.00 0.00 34.95 33.20 2jkt s ARG 434 CO 0.02 -0.04 1.79 0.00 0.02 0.00 0.00 175.30 177.08