#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt3 s VAL 22 N 0.00 2.52 0.01 2.53 1.01 -1.26 -4.55 120.40 120.67 3kt3 s VAL 22 Ca 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.45 3kt3 s VAL 22 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3kt3 s VAL 22 CO 0.00 -0.07 -0.04 -1.59 0.00 0.00 0.00 175.10 173.40 3kt3 s LYS 23 N 1.16 0.31 0.00 2.72 -2.85 -1.25 -5.03 119.74 114.80 3kt3 s LYS 23 Ca -0.07 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 3kt3 s LYS 23 Cb -0.20 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.44 3kt3 s LYS 23 CO -0.03 0.02 0.00 -0.85 0.10 0.00 0.00 175.35 174.59 3kt3 n GLU 24 N 2.25 2.32 -1.65 1.78 0.00 -1.26 0.07 120.64 124.16 3kt3 n GLU 24 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.53 3kt3 n GLU 24 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.98 3kt3 n GLU 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3kt3 n GLN 25 N -0.35 1.83 -3.88 3.44 6.02 -1.26 -4.45 117.38 118.73 3kt3 n GLN 25 Ca 0.00 0.65 -0.35 0.00 -0.01 0.00 0.00 57.00 57.28 3kt3 n GLN 25 Cb 0.00 -2.24 -0.13 0.00 1.02 0.00 0.00 30.24 28.88 3kt3 n GLN 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kt3 s VAL 26 N -0.32 3.16 -0.28 5.09 1.01 -0.73 -4.97 120.40 123.35 3kt3 s VAL 26 Ca 0.66 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3kt3 s VAL 26 Cb -0.68 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.00 3kt3 s VAL 26 CO 0.53 -0.07 0.01 -0.69 0.00 0.00 0.00 175.10 174.88 3kt3 s VAL 27 N 1.30 1.60 0.18 2.92 1.01 -1.26 -0.98 120.40 125.18 3kt3 s VAL 27 Ca -0.04 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.38 3kt3 s VAL 27 Cb -0.19 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3kt3 s VAL 27 CO -0.01 -0.38 -0.03 0.42 0.00 0.00 0.00 175.10 175.11 3kt3 s THR 28 N 1.30 0.89 -1.09 3.92 -4.23 0.31 -4.98 115.64 111.76 3kt3 s THR 28 Ca 0.03 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3kt3 s THR 28 Cb -0.19 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3kt3 s THR 28 CO -0.11 -0.51 0.64 -2.65 -0.54 0.00 0.00 174.62 171.45 3kt3 n PRO 29 N -0.27 0.00 0.00 3.99 -0.02 -0.92 -2.59 135.00 135.18 3kt3 n PRO 29 Ca -0.07 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3kt3 n PRO 29 Cb 0.63 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3kt3 n PRO 29 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3kt3 n TRP 30 N -1.14 0.00 -3.80 6.00 8.01 -1.26 -4.94 117.44 120.29 3kt3 n TRP 30 Ca 0.00 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.06 3kt3 n TRP 30 Cb 0.07 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.23 3kt3 n TRP 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3kt3 s ASP 31 N -1.43 -0.11 -0.07 -0.99 1.11 -1.07 -5.14 116.67 108.98 3kt3 s ASP 31 Ca 0.00 0.24 0.02 0.00 0.18 0.00 0.00 52.55 52.99 3kt3 s ASP 31 Cb 0.00 0.20 0.02 0.00 1.07 0.00 0.00 42.92 44.21 3kt3 s ASP 31 CO 0.00 -0.08 -0.10 0.68 1.18 0.00 0.00 175.17 176.85 3kt3 s VAL 32 N 0.44 1.03 -0.02 -1.27 -7.23 -1.25 -0.53 120.40 111.57 3kt3 s VAL 32 Ca -0.03 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 3kt3 s VAL 32 Cb -0.05 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.95 3kt3 s VAL 32 CO -0.02 0.34 0.05 -1.61 -0.31 0.00 0.00 175.10 173.55 3kt3 s GLU 33 N 0.84 0.01 0.85 4.82 0.41 -0.15 -4.64 118.70 120.84 3kt3 s GLU 33 Ca -0.11 0.16 -0.11 0.00 -0.41 0.00 0.00 54.97 54.49 3kt3 s GLU 33 Cb -0.15 -0.13 0.10 0.00 -1.78 0.00 0.00 34.13 32.17 3kt3 s GLU 33 CO 0.02 -0.10 1.09 0.20 -0.49 0.00 0.00 175.26 175.97 3kt3 s GLY 34 N 0.67 1.63 1.24 -1.39 0.00 -0.53 -1.78 107.32 107.16 3kt3 s GLY 34 Ca -0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 3kt3 s GLY 34 CO -0.02 0.42 1.10 -0.32 0.00 0.00 0.00 173.10 174.28 3kt3 s GLY 35 N -3.52 1.58 -0.01 0.20 0.00 -1.24 -4.60 107.32 99.73 3kt3 s GLY 35 Ca 0.62 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 3kt3 s GLY 35 CO 0.56 -0.09 0.04 0.54 0.00 0.00 0.00 173.10 174.14 3kt3 s VAL 36 N -2.98 0.02 0.81 1.40 0.11 0.11 -0.87 120.40 119.00 3kt3 s VAL 36 Ca 0.72 -0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.46 3kt3 s VAL 36 Cb -0.09 -0.12 0.18 0.00 -1.53 0.00 0.00 36.38 34.82 3kt3 s VAL 36 CO 0.56 -0.11 1.10 0.47 -3.33 0.00 0.00 175.10 173.79 3kt3 n ASP 37 N 2.71 0.41 0.26 3.54 8.00 -0.82 -3.92 116.55 126.74 3kt3 n ASP 37 Ca -0.15 -1.60 0.15 0.00 0.71 0.00 0.00 54.79 53.90 3kt3 n ASP 37 Cb 0.59 -0.81 0.61 0.00 -0.02 0.00 0.00 41.12 41.49 3kt3 n ASP 37 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kt3 h GLU 38 N 0.00 0.00 0.00 -1.24 3.07 -1.91 -2.64 114.58 111.86 3kt3 h GLU 38 Ca -0.36 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.47 3kt3 h GLU 38 Cb 1.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 3kt3 h GLU 38 CO 0.28 0.07 -0.18 1.96 -1.40 0.00 0.00 179.01 179.74 3kt3 h GLN 39 N 0.00 0.00 0.00 2.33 1.08 -1.93 -3.43 115.11 113.16 3kt3 h GLN 39 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kt3 h GLN 39 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3kt3 h GLN 39 CO 0.01 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.47 3kt3 n GLY 40 N 0.38 0.71 3.72 3.46 0.00 -1.00 -5.02 105.19 107.44 3kt3 n GLY 40 Ca 0.01 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3kt3 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt3 s ARG 41 N -0.72 3.88 0.28 1.61 3.52 -1.26 -4.82 118.95 121.44 3kt3 s ARG 41 Ca 0.00 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 3kt3 s ARG 41 Cb 0.00 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3kt3 s ARG 41 CO 0.00 0.42 1.25 0.00 -0.81 0.00 0.00 175.30 176.16 3kt3 s ALA 42 N -0.01 3.48 0.26 6.12 0.00 -1.26 -1.94 121.76 128.41 3kt3 s ALA 42 Ca 0.08 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.23 3kt3 s ALA 42 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3kt3 s ALA 42 CO 0.00 -0.48 0.26 1.14 0.00 0.00 0.00 175.76 176.68 3kt3 s GLN 43 N -1.20 3.04 0.76 0.00 -2.07 -0.05 -4.95 119.66 115.20 3kt3 s GLN 43 Ca 0.50 -1.00 -0.11 0.00 -1.82 0.00 0.00 55.36 52.93 3kt3 s GLN 43 Cb -0.37 -2.65 0.05 0.00 -1.09 0.00 0.00 33.01 28.96 3kt3 s GLN 43 CO 0.45 0.36 1.08 -0.80 -1.32 0.00 0.00 175.29 175.07 3kt3 s ASN 44 N -3.90 4.67 0.03 12.60 0.01 -1.26 -3.69 114.94 123.39 3kt3 s ASN 44 Ca 0.34 1.71 -0.30 0.00 -0.71 0.00 0.00 52.86 53.90 3kt3 s ASN 44 Cb -0.08 -2.46 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 3kt3 s ASN 44 CO 0.26 -1.91 1.87 -0.63 -1.51 0.00 0.00 177.10 175.18 3kt3 s ILE 45 N -2.96 3.07 -0.50 0.60 -1.09 -1.18 -4.60 121.20 114.53 3kt3 s ILE 45 Ca 0.60 0.19 -0.18 0.00 -2.23 0.00 0.00 60.65 59.04 3kt3 s ILE 45 Cb -0.16 -3.12 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 3kt3 s ILE 45 CO 0.56 -0.01 0.54 -0.62 -1.23 0.00 0.00 174.94 174.18 3kt3 s ASP 46 N 3.88 6.19 0.22 3.58 2.15 -1.26 -4.94 116.67 126.49 3kt3 s ASP 46 Ca 0.84 -1.10 0.11 0.00 0.43 0.00 0.00 52.55 52.83 3kt3 s ASP 46 Cb -0.41 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 3kt3 s ASP 46 CO 0.38 -0.81 1.41 1.88 -0.17 0.00 0.00 175.17 177.85 3kt3 h TYR 47 N 8.91 0.00 -0.17 -5.34 0.05 -2.00 -3.10 116.97 115.33 3kt3 h TYR 47 Ca -0.28 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.42 3kt3 h TYR 47 Cb 1.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 3kt3 h TYR 47 CO 0.71 0.72 -0.24 -0.44 -1.05 0.00 0.00 178.16 177.86 3kt3 h ASP 48 N 0.00 0.30 0.05 3.88 3.32 -2.00 -1.79 116.42 120.19 3kt3 h ASP 48 Ca -0.01 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3kt3 h ASP 48 Cb 1.50 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 3kt3 h ASP 48 CO 0.09 0.56 -0.39 0.50 -1.72 0.00 0.00 179.24 178.28 3kt3 h LYS 49 N 0.28 0.45 -0.33 3.56 3.11 -1.97 -2.44 116.57 119.21 3kt3 h LYS 49 Ca 0.04 -0.22 -0.15 0.00 -2.81 0.00 0.00 60.65 57.52 3kt3 h LYS 49 Cb 0.59 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 3kt3 h LYS 49 CO 0.04 0.77 -0.38 -0.07 -2.81 0.00 0.00 179.45 177.00 3kt3 h LEU 50 N 0.37 0.84 -0.85 5.20 3.38 -1.39 -1.90 115.31 120.97 3kt3 h LEU 50 Ca 0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3kt3 h LEU 50 Cb 0.85 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3kt3 h LEU 50 CO 0.07 1.13 0.48 0.40 0.09 0.00 0.00 178.44 180.61 3kt3 h ILE 51 N 0.65 1.24 0.39 1.22 2.04 -1.23 -0.10 117.51 121.73 3kt3 h ILE 51 Ca 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kt3 h ILE 51 Cb 0.94 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3kt3 h ILE 51 CO 0.09 0.27 -0.19 0.50 0.00 0.00 0.00 178.15 178.82 3kt3 h LYS 52 N 1.17 -0.51 0.00 2.37 1.63 -1.24 -1.95 116.57 118.04 3kt3 h LYS 52 Ca 0.30 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.06 3kt3 h LYS 52 Cb 0.01 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3kt3 h LYS 52 CO -0.05 -0.25 -0.55 -0.56 -3.45 0.00 0.00 179.45 174.59 3kt3 h GLN 53 N -0.68 0.00 0.00 1.90 3.07 -1.32 -3.14 115.11 114.93 3kt3 h GLN 53 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3kt3 h GLN 53 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3kt3 h GLN 53 CO 0.09 0.30 -0.43 1.19 0.09 0.00 0.00 178.83 180.07 3kt3 n PHE 54 N -3.10 0.03 -2.05 0.06 3.01 -0.05 -4.97 117.46 110.39 3kt3 n PHE 54 Ca 0.01 0.01 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 3kt3 n PHE 54 Cb 0.68 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 3kt3 n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kt3 n GLY 55 N 1.49 0.16 3.96 1.37 0.00 -0.76 -5.02 105.19 106.38 3kt3 n GLY 55 Ca 0.06 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3kt3 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kt3 s THR 56 N -2.56 2.09 -0.11 2.61 -4.23 -1.02 -5.05 115.64 107.36 3kt3 s THR 56 Ca 0.00 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 3kt3 s THR 56 Cb 0.00 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 3kt3 s THR 56 CO 0.00 0.00 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.46 3kt3 s LYS 57 N -5.49 3.19 0.37 3.99 1.02 -0.46 -4.87 119.74 117.50 3kt3 s LYS 57 Ca 0.69 -0.58 -0.26 0.00 0.02 0.00 0.00 55.97 55.84 3kt3 s LYS 57 Cb -0.05 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 3kt3 s LYS 57 CO 0.48 0.41 1.15 -1.25 -0.92 0.00 0.00 175.35 175.23 3kt3 s PRO 58 N -0.13 4.19 -0.12 -1.68 0.04 -1.26 -0.23 135.00 135.81 3kt3 s PRO 58 Ca 0.01 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 3kt3 s PRO 58 Cb -0.13 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3kt3 s PRO 58 CO 0.03 -0.20 1.55 0.08 0.04 0.00 0.00 177.00 178.50 3kt3 s VAL 59 N -1.38 3.79 0.51 -0.36 1.01 0.19 -4.82 120.40 119.32 3kt3 s VAL 59 Ca 0.54 0.94 0.04 0.00 0.00 0.00 0.00 61.98 63.50 3kt3 s VAL 59 Cb -0.30 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3kt3 s VAL 59 CO 0.39 -0.13 0.70 0.20 0.00 0.00 0.00 175.10 176.26 3kt3 s ASN 60 N 3.18 5.39 0.28 3.32 0.01 -1.26 -4.97 114.94 120.89 3kt3 s ASN 60 Ca 0.68 -0.21 -0.01 0.00 -0.71 0.00 0.00 52.86 52.61 3kt3 s ASN 60 Cb -0.29 -0.72 0.40 0.00 0.41 0.00 0.00 41.25 41.05 3kt3 s ASN 60 CO 0.26 -1.03 1.80 -0.08 -1.51 0.00 0.00 177.10 176.54 3kt3 h GLU 61 N 0.27 0.77 -0.43 -0.60 4.57 -1.99 -2.96 114.58 114.21 3kt3 h GLU 61 Ca -0.41 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 57.62 3kt3 h GLU 61 Cb 1.29 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 3kt3 h GLU 61 CO 0.49 0.74 0.22 1.49 -1.18 0.00 0.00 179.01 180.77 3kt3 h GLU 62 N 0.73 0.44 0.18 1.92 4.57 -1.99 -1.30 114.58 119.13 3kt3 h GLU 62 Ca 0.15 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3kt3 h GLU 62 Cb 0.37 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3kt3 h GLU 62 CO 0.01 0.29 -0.34 1.15 -1.18 0.00 0.00 179.01 178.94 3kt3 h THR 63 N 0.45 0.29 -0.71 0.32 2.02 -1.91 -1.37 112.91 112.01 3kt3 h THR 63 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3kt3 h THR 63 Cb 0.07 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3kt3 h THR 63 CO -0.12 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.13 3kt3 h LEU 64 N -0.60 0.84 0.09 2.58 3.38 -1.41 0.51 115.31 120.70 3kt3 h LEU 64 Ca 0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kt3 h LEU 64 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kt3 h LEU 64 CO -0.16 0.65 -0.12 0.50 0.09 0.00 0.00 178.44 179.40 3kt3 h LYS 65 N 0.97 -0.24 -0.05 1.13 3.64 -0.92 -2.23 116.57 118.87 3kt3 h LYS 65 Ca 0.25 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3kt3 h LYS 65 Cb -0.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kt3 h LYS 65 CO -0.05 -0.16 -0.48 -0.09 -2.27 0.00 0.00 179.45 176.40 3kt3 h ARG 66 N -0.25 0.13 -0.74 1.90 2.43 -0.66 -2.59 114.38 114.60 3kt3 h ARG 66 Ca 0.01 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3kt3 h ARG 66 Cb 0.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3kt3 h ARG 66 CO -0.05 0.59 0.44 0.35 -1.51 0.00 0.00 179.97 179.78 3kt3 h PHE 67 N 0.11 0.81 0.55 2.20 3.57 -0.72 -1.86 116.94 121.60 3kt3 h PHE 67 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3kt3 h PHE 67 Cb 0.90 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3kt3 h PHE 67 CO 0.01 0.40 -0.35 0.87 -2.23 0.00 0.00 178.31 177.02 3kt3 h LYS 68 N 0.81 -0.82 -0.48 1.11 1.79 -1.01 -1.45 116.57 116.51 3kt3 h LYS 68 Ca 0.32 0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.82 3kt3 h LYS 68 Cb 0.16 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 3kt3 h LYS 68 CO -0.17 -0.55 0.19 -0.56 -1.08 0.00 0.00 179.45 177.28 3kt3 h GLN 69 N -0.85 0.69 -0.00 3.15 3.07 -1.41 0.26 115.11 120.01 3kt3 h GLN 69 Ca -0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 58.65 58.49 3kt3 h GLN 69 Cb 0.70 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 28.14 3kt3 h GLN 69 CO 0.06 0.57 -0.36 0.28 0.09 0.00 0.00 178.83 179.47 3kt3 h VAL 70 N 0.68 1.51 0.00 1.86 2.07 -1.30 -3.38 116.25 117.69 3kt3 h VAL 70 Ca 0.16 -1.99 -0.32 0.00 0.82 0.00 0.00 66.70 65.37 3kt3 h VAL 70 Cb 0.15 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 3kt3 h VAL 70 CO -0.02 0.56 -1.96 0.35 0.02 0.00 0.00 177.57 176.52 3kt3 n THR 71 N -4.42 1.53 -1.01 2.57 -2.24 -0.55 -4.76 114.28 105.40 3kt3 n THR 71 Ca -0.10 -0.82 -0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3kt3 n THR 71 Cb 0.56 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3kt3 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kt3 n GLY 72 N 1.63 0.46 3.45 3.38 0.00 0.91 -4.44 105.19 110.58 3kt3 n GLY 72 Ca -0.23 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3kt3 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kt3 s ARG 73 N -1.10 1.63 0.21 1.61 1.81 -1.25 -5.03 118.95 116.83 3kt3 s ARG 73 Ca 0.00 -1.36 -0.30 0.00 -1.72 0.00 0.00 55.73 52.36 3kt3 s ARG 73 Cb 0.00 -1.97 -0.08 0.00 -0.45 0.00 0.00 34.95 32.44 3kt3 s ARG 73 CO 0.00 0.44 1.10 -1.21 -0.68 0.00 0.00 175.30 174.95 3kt3 s GLU 74 N -2.40 4.60 0.21 3.54 0.41 -1.26 -4.15 118.70 119.65 3kt3 s GLU 74 Ca 0.19 1.75 -0.32 0.00 -0.41 0.00 0.00 54.97 56.17 3kt3 s GLU 74 Cb -0.09 -3.25 -0.13 0.00 -1.78 0.00 0.00 34.13 28.88 3kt3 s GLU 74 CO 0.10 0.11 1.62 -2.30 -0.49 0.00 0.00 175.26 174.30 3kt3 n PRO 75 N 2.05 2.49 -1.44 0.39 -0.02 -1.26 -4.94 135.00 132.27 3kt3 n PRO 75 Ca 0.02 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 3kt3 n PRO 75 Cb 0.46 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.28 3kt3 n PRO 75 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kt3 n HIS 76 N 3.28 -0.90 0.27 6.00 -0.00 -1.26 -4.67 115.22 117.94 3kt3 n HIS 76 Ca 0.15 0.45 0.13 0.00 0.46 0.00 0.00 57.72 58.91 3kt3 n HIS 76 Cb 0.33 -1.93 0.75 0.00 -0.12 0.00 0.00 29.99 29.02 3kt3 n HIS 76 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3kt3 h HIS 77 N 0.26 0.00 -0.91 1.57 2.07 -1.99 -0.96 115.15 115.19 3kt3 h HIS 77 Ca -0.45 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.10 3kt3 h HIS 77 Cb 1.40 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.34 3kt3 h HIS 77 CO 0.31 0.10 0.60 0.74 -3.07 0.00 0.00 177.93 176.60 3kt3 h PHE 78 N 0.00 1.12 -0.10 6.12 0.04 -1.93 0.06 116.94 122.25 3kt3 h PHE 78 Ca -0.00 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 3kt3 h PHE 78 Cb 0.27 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3kt3 h PHE 78 CO 0.00 0.67 -0.38 -0.07 -0.60 0.00 0.00 178.31 177.93 3kt3 h LEU 79 N 1.17 0.50 -0.92 1.54 3.38 -1.45 0.29 115.31 119.83 3kt3 h LEU 79 Ca 0.35 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kt3 h LEU 79 Cb -0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3kt3 h LEU 79 CO -0.10 1.04 0.60 0.03 0.09 0.00 0.00 178.44 180.11 3kt3 h ARG 80 N -0.01 1.16 -0.00 1.13 3.08 -1.19 -2.37 114.38 116.18 3kt3 h ARG 80 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kt3 h ARG 80 Cb 1.01 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3kt3 h ARG 80 CO 0.08 0.77 -0.08 1.63 -1.07 0.00 0.00 179.97 181.29 3kt3 n LYS 81 N -4.48 0.30 -1.31 0.04 5.02 -0.01 -4.91 118.16 112.81 3kt3 n LYS 81 Ca 0.11 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.27 3kt3 n LYS 81 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3kt3 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kt3 n GLY 82 N 1.38 0.88 0.16 0.72 0.00 -0.89 -4.92 105.19 102.52 3kt3 n GLY 82 Ca 0.11 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 3kt3 n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kt3 h LEU 83 N 0.00 0.46 -8.40 0.99 3.38 -0.70 -3.33 115.31 107.70 3kt3 h LEU 83 Ca -0.16 -0.34 -0.70 0.00 0.09 0.00 0.00 57.88 56.77 3kt3 h LEU 83 Cb 0.55 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 40.97 3kt3 h LEU 83 CO 0.23 1.11 -0.15 -0.36 0.09 0.00 0.00 178.44 179.35 3kt3 s PHE 84 N -3.42 3.15 -0.05 1.13 0.40 -0.78 0.56 117.98 118.96 3kt3 s PHE 84 Ca -0.05 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 3kt3 s PHE 84 Cb 0.10 -3.22 -0.12 0.00 0.51 0.00 0.00 43.02 40.29 3kt3 s PHE 84 CO 0.85 -0.86 0.11 1.97 0.70 0.00 0.00 175.22 177.99 3kt3 n PHE 85 N 5.68 0.00 -4.24 0.36 -1.74 -0.23 -4.62 117.46 112.68 3kt3 n PHE 85 Ca -0.09 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.67 3kt3 n PHE 85 Cb 0.45 -0.31 -0.10 0.00 1.52 0.00 0.00 39.48 41.05 3kt3 n PHE 85 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3kt3 s SER 86 N -3.53 1.43 0.16 5.98 1.04 -1.18 0.54 113.70 118.12 3kt3 s SER 86 Ca -0.04 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.14 3kt3 s SER 86 Cb 0.04 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3kt3 s SER 86 CO 0.35 -0.49 0.38 -1.83 0.98 0.00 0.00 173.24 172.63 3kt3 s GLU 87 N -3.86 1.17 -0.03 4.02 4.04 0.68 -0.25 118.70 124.47 3kt3 s GLU 87 Ca 0.21 -0.93 0.03 0.00 0.04 0.00 0.00 54.97 54.32 3kt3 s GLU 87 Cb 0.05 0.44 -0.00 0.00 0.02 0.00 0.00 34.13 34.64 3kt3 s GLU 87 CO 0.02 -0.46 -0.12 1.03 -1.84 0.00 0.00 175.26 173.90 3kt3 s ARG 88 N -3.88 1.20 -0.87 -4.83 0.52 -0.71 -1.35 118.95 109.03 3kt3 s ARG 88 Ca 0.10 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.86 3kt3 s ARG 88 Cb 0.02 -1.10 0.02 0.00 0.52 0.00 0.00 34.95 34.41 3kt3 s ARG 88 CO -0.05 0.18 0.13 -0.25 0.02 0.00 0.00 175.30 175.33 3kt3 n ASP 89 N 3.14 -3.09 0.19 0.23 8.00 -1.26 -1.61 116.55 122.16 3kt3 n ASP 89 Ca -0.17 0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.48 3kt3 n ASP 89 Cb 0.54 -2.65 0.37 0.00 -0.02 0.00 0.00 41.12 39.36 3kt3 n ASP 89 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3kt3 h PHE 90 N -0.24 0.00 -0.09 1.24 3.57 -1.90 -2.95 116.94 116.56 3kt3 h PHE 90 Ca -0.26 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.28 3kt3 h PHE 90 Cb 1.18 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 3kt3 h PHE 90 CO 0.74 0.36 -0.23 1.15 -2.23 0.00 0.00 178.31 178.11 3kt3 h THR 91 N 0.00 0.45 0.00 4.41 2.02 -1.99 -1.98 112.91 115.82 3kt3 h THR 91 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3kt3 h THR 91 Cb 0.83 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3kt3 h THR 91 CO 0.05 0.00 -0.18 0.07 0.37 0.00 0.00 175.52 175.82 3kt3 h LYS 92 N -0.31 0.00 -0.30 6.66 2.10 -1.91 0.14 116.57 122.95 3kt3 h LYS 92 Ca 0.09 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 3kt3 h LYS 92 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 3kt3 h LYS 92 CO -0.27 0.18 -0.04 0.82 -2.00 0.00 0.00 179.45 178.14 3kt3 h ILE 93 N 0.00 1.27 -0.60 0.07 1.08 -1.45 0.02 117.51 117.90 3kt3 h ILE 93 Ca -0.00 -1.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.40 3kt3 h ILE 93 Cb 0.38 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 3kt3 h ILE 93 CO 0.02 0.33 0.25 -0.07 -0.69 0.00 0.00 178.15 177.99 3kt3 h LEU 94 N 0.32 0.82 -0.44 1.44 3.38 -0.52 -0.67 115.31 119.64 3kt3 h LEU 94 Ca 0.08 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3kt3 h LEU 94 Cb 0.50 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3kt3 h LEU 94 CO 0.02 0.75 -0.07 0.44 0.09 0.00 0.00 178.44 179.68 3kt3 h ASP 95 N 0.83 -0.32 -0.48 -0.43 3.32 -0.65 0.04 116.42 118.72 3kt3 h ASP 95 Ca 0.20 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3kt3 h ASP 95 Cb 0.19 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3kt3 h ASP 95 CO -0.02 -0.11 0.22 -0.07 -1.72 0.00 0.00 179.24 177.54 3kt3 h LEU 96 N 0.04 0.63 -0.55 1.55 3.38 -0.48 -2.38 115.31 117.51 3kt3 h LEU 96 Ca 0.21 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3kt3 h LEU 96 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kt3 h LEU 96 CO -0.42 0.59 -0.05 0.22 0.09 0.00 0.00 178.44 178.87 3kt3 h TYR 97 N 0.63 1.11 -0.01 1.13 3.20 -0.82 -1.75 116.97 120.46 3kt3 h TYR 97 Ca 0.16 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3kt3 h TYR 97 Cb 0.13 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 3kt3 h TYR 97 CO -0.01 1.02 0.01 1.49 -1.64 0.00 0.00 178.16 179.03 3kt3 h GLU 98 N 0.89 0.00 0.00 1.82 4.81 -0.84 -2.52 114.58 118.74 3kt3 h GLU 98 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3kt3 h GLU 98 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3kt3 h GLU 98 CO 0.04 0.00 -0.77 1.04 -0.73 0.00 0.00 179.01 178.59 3kt3 n GLN 99 N -4.37 0.06 0.00 1.92 6.02 -0.91 -1.47 117.38 118.62 3kt3 n GLN 99 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3kt3 n GLN 99 Cb 0.10 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3kt3 n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kt3 n GLY 100 N 1.47 1.87 3.74 1.08 0.00 -0.72 -4.51 105.19 108.13 3kt3 n GLY 100 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3kt3 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kt3 s LYS 101 N -0.39 2.78 0.54 1.61 1.02 -0.85 -4.97 119.74 119.47 3kt3 s LYS 101 Ca 0.00 1.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.81 3kt3 s LYS 101 Cb 0.00 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 3kt3 s LYS 101 CO 0.00 -1.37 0.85 -1.25 -0.92 0.00 0.00 175.35 172.66 3kt3 s PRO 102 N -3.41 3.30 0.28 -1.68 0.04 -1.26 -4.40 135.00 127.87 3kt3 s PRO 102 Ca 0.78 0.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 3kt3 s PRO 102 Cb -0.32 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 31.96 3kt3 s PRO 102 CO 0.36 -0.43 0.85 -0.59 0.04 0.00 0.00 177.00 177.23 3kt3 s PHE 103 N -2.88 -0.01 0.19 0.56 -0.12 -1.26 -4.71 117.98 109.75 3kt3 s PHE 103 Ca 0.51 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 3kt3 s PHE 103 Cb -0.10 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 3kt3 s PHE 103 CO 0.46 -1.24 0.09 -0.59 -0.05 0.00 0.00 175.22 173.89 3kt3 s PHE 104 N -2.86 1.16 -0.07 3.49 -0.12 -1.09 -4.37 117.98 114.12 3kt3 s PHE 104 Ca 0.15 -1.27 -0.01 0.00 -0.05 0.00 0.00 56.93 55.75 3kt3 s PHE 104 Cb -0.04 -0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 3kt3 s PHE 104 CO 0.08 -0.51 0.01 -0.51 -0.05 0.00 0.00 175.22 174.23 3kt3 s LEU 105 N -3.16 3.59 -0.06 -1.99 1.43 0.42 -0.54 118.68 118.38 3kt3 s LEU 105 Ca 0.33 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3kt3 s LEU 105 Cb 0.07 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.46 3kt3 s LEU 105 CO 0.09 0.36 0.11 -0.47 0.23 0.00 0.00 176.35 176.67 3kt3 s TYR 106 N -0.93 -0.07 0.28 0.29 5.04 -0.73 -1.07 117.35 120.17 3kt3 s TYR 106 Ca 0.15 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.24 3kt3 s TYR 106 Cb -0.11 -0.34 -0.04 0.00 0.35 0.00 0.00 41.96 41.82 3kt3 s TYR 106 CO 0.04 -0.22 0.18 -0.08 -1.34 0.00 0.00 175.55 174.13 3kt3 s THR 107 N 2.12 0.16 0.37 4.34 -1.32 -0.99 -3.84 115.64 116.47 3kt3 s THR 107 Ca 0.03 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.41 3kt3 s THR 107 Cb -0.12 -2.50 0.03 0.00 -1.51 0.00 0.00 72.50 68.40 3kt3 s THR 107 CO -0.04 0.00 0.65 -0.83 -2.21 0.00 0.00 174.62 172.19 3kt3 s GLY 108 N -3.32 0.90 -0.18 6.08 0.00 -1.26 -1.71 107.32 107.82 3kt3 s GLY 108 Ca 0.38 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.86 3kt3 s GLY 108 CO 0.19 -0.63 0.45 -1.60 0.00 0.00 0.00 173.10 171.51 3kt3 s ARG 109 N -2.61 0.48 -0.48 2.90 6.06 0.14 -4.91 118.95 120.53 3kt3 s ARG 109 Ca 0.22 0.76 -0.18 0.00 -2.50 0.00 0.00 55.73 54.03 3kt3 s ARG 109 Cb -0.03 0.11 0.05 0.00 0.06 0.00 0.00 34.95 35.14 3kt3 s ARG 109 CO 0.16 -0.12 0.57 0.20 -2.50 0.00 0.00 175.30 173.61 3kt3 s GLY 110 N 0.92 1.82 -1.22 8.12 0.00 -1.26 -1.64 107.32 114.06 3kt3 s GLY 110 Ca -0.05 -1.71 -0.21 0.00 0.00 0.00 0.00 44.72 42.75 3kt3 s GLY 110 CO -0.08 1.37 1.87 -1.05 0.00 0.00 0.00 173.10 175.21 3kt3 n PRO 111 N 5.96 2.22 0.00 2.90 -0.02 -1.26 -4.65 135.00 140.15 3kt3 n PRO 111 Ca -0.07 -2.76 0.12 0.00 -2.02 0.00 0.00 63.50 58.78 3kt3 n PRO 111 Cb 0.46 -3.61 0.21 0.00 -0.02 0.00 0.00 33.50 30.53 3kt3 n PRO 111 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kt3 n SER 112 N 11.80 1.14 -3.91 2.55 3.41 -1.26 -4.67 113.62 122.68 3kt3 n SER 112 Ca 0.47 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 58.07 3kt3 n SER 112 Cb 0.46 0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 64.69 3kt3 n SER 112 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kt3 s SER 113 N -2.66 -0.06 0.32 4.04 1.04 -1.26 -5.06 113.70 110.05 3kt3 s SER 113 Ca 0.18 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3kt3 s SER 113 Cb 0.18 0.50 0.51 0.00 0.10 0.00 0.00 66.02 67.31 3kt3 s SER 113 CO 0.61 -0.98 1.98 -0.78 0.98 0.00 0.00 173.24 175.05 3kt3 h ASP 114 N 2.40 0.87 -4.40 7.02 -0.00 -1.93 -3.44 116.42 116.94 3kt3 h ASP 114 Ca -0.30 -0.02 -0.39 0.00 -0.00 0.00 0.00 57.03 56.32 3kt3 h ASP 114 Cb 1.24 -0.22 -0.20 0.00 -0.00 0.00 0.00 39.33 40.15 3kt3 h ASP 114 CO 0.43 0.63 -0.76 -0.55 -0.00 0.00 0.00 179.24 178.99 3kt3 s SER 115 N -6.35 1.64 0.72 2.28 0.15 -1.26 -4.47 113.70 106.41 3kt3 s SER 115 Ca -0.11 -0.68 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 3kt3 s SER 115 Cb 0.18 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 3kt3 s SER 115 CO 0.78 -0.13 1.10 -0.32 1.20 0.00 0.00 173.24 175.88 3kt3 s MET 116 N -2.08 2.73 0.47 5.44 1.75 -1.26 -4.93 119.30 121.42 3kt3 s MET 116 Ca 0.01 0.44 0.04 0.00 -1.25 0.00 0.00 55.69 54.93 3kt3 s MET 116 Cb -0.08 -2.01 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 3kt3 s MET 116 CO 0.02 -1.12 0.02 -3.38 -0.65 0.00 0.00 175.02 169.90 3kt3 s HIS 117 N -3.37 2.14 0.47 4.11 -3.43 -1.26 -1.86 115.29 112.09 3kt3 s HIS 117 Ca 0.59 -0.83 0.13 0.00 -0.80 0.00 0.00 55.06 54.14 3kt3 s HIS 117 Cb -0.11 -1.69 1.09 0.00 -1.43 0.00 0.00 32.58 30.44 3kt3 s HIS 117 CO 0.52 0.31 2.09 -0.07 -2.00 0.00 0.00 174.74 175.59 3kt3 h LEU 118 N 1.51 0.22 -0.90 5.38 3.38 -1.71 -1.63 115.31 121.55 3kt3 h LEU 118 Ca -0.44 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.57 3kt3 h LEU 118 Cb 1.28 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 3kt3 h LEU 118 CO 0.77 0.15 0.58 1.23 0.09 0.00 0.00 178.44 181.26 3kt3 h GLY 119 N 0.25 1.34 2.00 0.83 0.00 -1.90 -2.27 103.07 103.32 3kt3 h GLY 119 Ca 0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3kt3 h GLY 119 CO -0.02 0.34 -0.12 0.45 0.00 0.00 0.00 176.54 177.20 3kt3 h HIS 120 N 1.10 0.00 0.00 5.60 3.86 -1.67 -2.41 115.15 121.63 3kt3 h HIS 120 Ca 0.37 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.56 3kt3 h HIS 120 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3kt3 h HIS 120 CO -0.02 0.12 -0.10 0.52 0.86 0.00 0.00 177.93 179.31 3kt3 h MET 121 N 0.00 0.00 0.66 2.45 2.07 -1.42 -3.20 114.93 115.49 3kt3 h MET 121 Ca -0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3kt3 h MET 121 Cb 0.34 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.08 3kt3 h MET 121 CO 0.02 0.10 -0.32 0.82 1.07 0.00 0.00 176.91 178.60 3kt3 h ILE 122 N 0.00 0.34 -0.45 -1.22 1.08 -1.53 0.28 117.51 116.02 3kt3 h ILE 122 Ca -0.00 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.37 3kt3 h ILE 122 Cb 0.19 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3kt3 h ILE 122 CO 0.01 0.00 -0.02 1.55 -0.69 0.00 0.00 178.15 179.00 3kt3 h PRO 123 N -0.91 0.74 -0.14 2.37 0.13 -1.75 -2.92 132.00 129.53 3kt3 h PRO 123 Ca -0.09 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 3kt3 h PRO 123 Cb 0.69 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 3kt3 h PRO 123 CO 0.15 0.77 -0.21 0.74 -0.23 0.00 0.00 178.00 179.23 3kt3 h PHE 124 N 0.69 0.47 -0.79 1.56 0.04 -1.51 -0.26 116.94 117.14 3kt3 h PHE 124 Ca 0.13 -0.16 0.07 0.00 2.80 0.00 0.00 57.97 60.81 3kt3 h PHE 124 Cb 0.46 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 3kt3 h PHE 124 CO 0.02 0.82 0.46 0.28 -0.60 0.00 0.00 178.31 179.30 3kt3 h VAL 125 N -0.02 0.98 -0.20 -0.55 2.07 -0.52 -1.06 116.25 116.96 3kt3 h VAL 125 Ca 0.01 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 3kt3 h VAL 125 Cb 0.77 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3kt3 h VAL 125 CO 0.05 0.15 -0.42 0.15 0.02 0.00 0.00 177.57 177.52 3kt3 h PHE 126 N 0.83 0.56 -0.13 1.57 3.57 -1.42 -2.54 116.94 119.38 3kt3 h PHE 126 Ca 0.36 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3kt3 h PHE 126 Cb 0.22 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 3kt3 h PHE 126 CO -0.05 0.82 -0.04 1.15 -2.23 0.00 0.00 178.31 177.96 3kt3 h THR 127 N 0.38 1.29 -0.70 4.41 2.02 -0.57 0.26 112.91 120.00 3kt3 h THR 127 Ca 0.03 -0.99 0.15 0.00 0.77 0.00 0.00 66.41 66.36 3kt3 h THR 127 Cb 0.90 1.68 -0.10 0.00 -1.74 0.00 0.00 68.15 68.89 3kt3 h THR 127 CO 0.08 0.29 0.17 0.50 0.37 0.00 0.00 175.52 176.92 3kt3 h LYS 128 N -0.05 0.27 -0.32 6.66 3.64 -1.15 0.28 116.57 125.89 3kt3 h LYS 128 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3kt3 h LYS 128 Cb 0.46 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3kt3 h LYS 128 CO 0.01 0.18 0.10 2.35 -2.27 0.00 0.00 179.45 179.82 3kt3 h TRP 129 N 0.27 0.50 -1.00 1.91 7.01 -1.27 -2.59 115.95 120.79 3kt3 h TRP 129 Ca 0.39 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.38 3kt3 h TRP 129 Cb 0.64 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 3kt3 h TRP 129 CO -0.26 0.51 0.66 -0.07 -2.79 0.00 0.00 178.44 176.49 3kt3 h LEU 130 N 0.36 1.09 0.01 0.65 3.38 0.16 -1.41 115.31 119.54 3kt3 h LEU 130 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kt3 h LEU 130 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kt3 h LEU 130 CO -0.00 0.74 -0.00 -0.61 0.09 0.00 0.00 178.44 178.65 3kt3 h GLN 131 N 1.25 -0.01 -0.05 1.13 4.15 -0.32 -1.38 115.11 119.88 3kt3 h GLN 131 Ca 0.40 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.67 3kt3 h GLN 131 Cb 0.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3kt3 h GLN 131 CO -0.13 0.02 -0.67 1.05 -1.93 0.00 0.00 178.83 177.17 3kt3 h GLU 132 N -0.03 0.23 -0.27 1.69 4.11 -1.27 0.16 114.58 119.21 3kt3 h GLU 132 Ca -0.00 -0.18 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 3kt3 h GLU 132 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kt3 h GLU 132 CO 0.00 0.81 -0.05 0.28 0.07 0.00 0.00 179.01 180.12 3kt3 h VAL 133 N 0.16 1.28 0.00 -1.06 2.07 -1.18 -3.29 116.25 114.23 3kt3 h VAL 133 Ca -0.01 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3kt3 h VAL 133 Cb 1.20 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kt3 h VAL 133 CO 0.10 0.33 -0.97 0.49 0.02 0.00 0.00 177.57 177.55 3kt3 n PHE 134 N -4.54 0.75 -3.45 1.57 3.72 -0.53 -4.99 117.46 109.99 3kt3 n PHE 134 Ca -0.03 0.22 -0.21 0.00 -0.05 0.00 0.00 57.45 57.38 3kt3 n PHE 134 Cb 0.30 -0.81 0.06 0.00 -0.94 0.00 0.00 39.48 38.09 3kt3 n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kt3 n ASP 135 N -2.45 -5.21 -4.30 4.37 2.03 0.56 -4.90 116.55 106.66 3kt3 n ASP 135 Ca 0.01 -0.81 -0.16 0.00 0.52 0.00 0.00 54.79 54.35 3kt3 n ASP 135 Cb 0.51 -4.52 -0.10 0.00 -0.72 0.00 0.00 41.12 36.29 3kt3 n ASP 135 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kt3 s VAL 136 N -3.44 1.44 0.49 5.18 -7.23 -1.20 -2.07 120.40 113.56 3kt3 s VAL 136 Ca 0.37 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 3kt3 s VAL 136 Cb -0.08 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 3kt3 s VAL 136 CO 0.78 -0.67 0.93 -2.16 -0.31 0.00 0.00 175.10 173.68 3kt3 s PRO 137 N -3.70 3.91 -0.05 4.82 0.04 -1.26 -4.81 135.00 133.95 3kt3 s PRO 137 Ca 0.20 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.09 3kt3 s PRO 137 Cb 0.01 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3kt3 s PRO 137 CO 0.04 -0.21 -0.09 -1.17 0.04 0.00 0.00 177.00 175.61 3kt3 s LEU 138 N -4.01 1.56 -0.10 -3.56 2.96 -0.25 -0.43 118.68 114.84 3kt3 s LEU 138 Ca 0.57 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3kt3 s LEU 138 Cb -0.10 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 3kt3 s LEU 138 CO 0.31 0.01 -0.10 0.68 -1.32 0.00 0.00 176.35 175.93 3kt3 s VAL 139 N 0.66 3.39 -0.17 1.68 -7.23 -0.23 -0.62 120.40 117.87 3kt3 s VAL 139 Ca -0.12 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3kt3 s VAL 139 Cb -0.14 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.42 3kt3 s VAL 139 CO 0.02 0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.56 3kt3 s ILE 140 N -0.14 1.83 -0.16 -0.62 1.01 0.40 -2.35 121.20 121.17 3kt3 s ILE 140 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3kt3 s ILE 140 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3kt3 s ILE 140 CO 0.03 0.44 0.35 -0.70 0.00 0.00 0.00 174.94 175.06 3kt3 s GLU 141 N 1.37 4.26 -0.42 2.79 2.12 -0.70 -1.00 118.70 127.12 3kt3 s GLU 141 Ca 0.04 0.18 -0.10 0.00 0.36 0.00 0.00 54.97 55.44 3kt3 s GLU 141 Cb -0.14 -3.45 0.07 0.00 0.26 0.00 0.00 34.13 30.88 3kt3 s GLU 141 CO -0.11 0.17 0.28 -0.51 -0.54 0.00 0.00 175.26 174.54 3kt3 s LEU 142 N 0.66 5.19 -1.39 2.70 1.43 0.18 -0.68 118.68 126.78 3kt3 s LEU 142 Ca 0.19 -1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 51.78 3kt3 s LEU 142 Cb -0.14 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.14 3kt3 s LEU 142 CO 0.06 -0.54 2.43 0.35 0.23 0.00 0.00 176.35 178.87 3kt3 n THR 143 N 4.97 4.85 -0.09 5.49 -2.24 -0.65 -1.25 114.28 125.36 3kt3 n THR 143 Ca -0.11 -3.92 0.02 0.00 -2.27 0.00 0.00 64.05 57.78 3kt3 n THR 143 Cb 0.43 -2.25 0.34 0.00 -2.10 0.00 0.00 70.33 66.75 3kt3 n THR 143 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3kt3 h ASP 144 N 4.90 0.63 -0.62 3.42 3.04 -1.89 -2.15 116.42 123.75 3kt3 h ASP 144 Ca 0.69 -0.03 -0.06 0.00 -3.24 0.00 0.00 57.03 54.40 3kt3 h ASP 144 Cb 0.36 -0.16 -0.03 0.00 -1.04 0.00 0.00 39.33 38.46 3kt3 h ASP 144 CO 1.58 0.48 0.17 -2.24 -2.04 0.00 0.00 179.24 177.19 3kt3 h ASP 145 N 0.74 0.93 0.07 4.15 3.04 -1.95 -1.98 116.42 121.41 3kt3 h ASP 145 Ca 0.20 -0.22 0.01 0.00 -3.24 0.00 0.00 57.03 53.78 3kt3 h ASP 145 Cb -0.05 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 37.98 3kt3 h ASP 145 CO -0.04 0.90 -0.15 -0.08 -2.04 0.00 0.00 179.24 177.84 3kt3 h GLU 146 N 0.90 -0.27 -0.70 4.15 4.81 -1.80 -0.37 114.58 121.30 3kt3 h GLU 146 Ca 0.20 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3kt3 h GLU 146 Cb 0.32 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3kt3 h GLU 146 CO -0.00 -0.18 0.46 0.87 -0.73 0.00 0.00 179.01 179.43 3kt3 h LYS 147 N -0.28 0.91 -0.73 1.92 1.79 -1.37 0.14 116.57 118.95 3kt3 h LYS 147 Ca 0.03 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3kt3 h LYS 147 Cb 0.31 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 3kt3 h LYS 147 CO -0.10 0.60 0.46 0.35 -1.08 0.00 0.00 179.45 179.69 3kt3 h PHE 148 N 0.94 0.87 -0.05 -1.35 3.57 -1.22 -1.65 116.94 118.04 3kt3 h PHE 148 Ca 0.26 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 3kt3 h PHE 148 Cb -0.09 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 3kt3 h PHE 148 CO -0.03 0.50 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.05 3kt3 h LEU 149 N 0.91 0.12 -0.56 0.59 4.07 0.33 -3.28 115.31 117.49 3kt3 h LEU 149 Ca 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3kt3 h LEU 149 Cb 0.01 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3kt3 h LEU 149 CO -0.11 0.54 -0.64 0.49 -1.08 0.00 0.00 178.44 177.65 3kt3 n PHE 150 N -4.01 0.00 -3.75 1.13 3.01 0.35 -4.71 117.46 109.47 3kt3 n PHE 150 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 3kt3 n PHE 150 Cb 0.48 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.78 3kt3 n PHE 150 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kt3 s LYS 151 N -2.69 0.90 0.56 -1.08 -0.14 -0.64 -5.01 119.74 111.63 3kt3 s LYS 151 Ca 0.15 -1.34 0.25 0.00 -1.36 0.00 0.00 55.97 53.67 3kt3 s LYS 151 Cb 0.17 -2.17 1.53 0.00 -1.68 0.00 0.00 37.83 35.68 3kt3 s LYS 151 CO 0.68 -1.02 2.10 1.25 -0.76 0.00 0.00 175.35 177.60 3kt3 h HIS 152 N 7.76 0.00 -0.14 3.18 2.76 -1.84 -1.63 115.15 125.24 3kt3 h HIS 152 Ca -0.10 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.98 3kt3 h HIS 152 Cb 1.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 3kt3 h HIS 152 CO 0.39 0.00 -0.32 0.87 -1.30 0.00 0.00 177.93 177.58 3kt3 h LYS 153 N 0.00 0.27 -7.08 5.26 1.57 -1.95 -3.45 116.57 111.19 3kt3 h LYS 153 Ca 0.10 -0.10 -0.50 0.00 -1.87 0.00 0.00 60.65 58.27 3kt3 h LYS 153 Cb 0.45 -0.01 0.07 0.00 0.08 0.00 0.00 32.23 32.81 3kt3 h LYS 153 CO -0.00 0.56 0.43 -0.51 -0.57 0.00 0.00 179.45 179.36 3kt3 s LEU 154 N -8.44 3.77 0.37 2.94 1.43 -0.62 -5.07 118.68 113.07 3kt3 s LEU 154 Ca -0.05 2.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 3kt3 s LEU 154 Cb 0.14 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 3kt3 s LEU 154 CO 0.76 -1.15 0.24 0.42 0.23 0.00 0.00 176.35 176.85 3kt3 s THR 155 N -1.79 2.92 0.22 5.49 -4.23 -1.26 -4.96 115.64 112.02 3kt3 s THR 155 Ca 0.72 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 3kt3 s THR 155 Cb -0.23 -3.03 0.17 0.00 1.34 0.00 0.00 72.50 70.74 3kt3 s THR 155 CO 0.26 -0.10 1.83 0.40 -0.54 0.00 0.00 174.62 176.47 3kt3 h ILE 156 N 1.33 1.02 -0.89 2.99 1.08 -1.97 -2.38 117.51 118.68 3kt3 h ILE 156 Ca -0.43 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3kt3 h ILE 156 Cb 1.26 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3kt3 h ILE 156 CO 0.62 0.15 0.48 0.78 -0.69 0.00 0.00 178.15 179.49 3kt3 h ASN 157 N 0.81 1.11 0.25 1.72 2.35 -1.99 -1.43 115.58 118.41 3kt3 h ASN 157 Ca 0.32 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3kt3 h ASN 157 Cb 0.15 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3kt3 h ASN 157 CO -0.16 0.90 -0.30 0.44 -1.65 0.00 0.00 177.43 176.65 3kt3 h ASP 158 N 1.24 -0.84 0.34 5.81 3.45 -1.83 -1.62 116.42 122.97 3kt3 h ASP 158 Ca 0.31 0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.76 3kt3 h ASP 158 Cb 0.03 0.30 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3kt3 h ASP 158 CO -0.05 -0.42 -0.41 -0.37 -1.57 0.00 0.00 179.24 176.42 3kt3 h VAL 159 N -0.60 1.31 -0.43 -1.35 -1.51 -1.36 0.08 116.25 112.38 3kt3 h VAL 159 Ca -0.00 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 3kt3 h VAL 159 Cb 0.57 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 3kt3 h VAL 159 CO -0.10 0.43 0.27 0.11 -1.23 0.00 0.00 177.57 177.05 3kt3 h LYS 160 N 0.09 0.58 0.22 5.19 1.57 -1.14 -0.29 116.57 122.78 3kt3 h LYS 160 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3kt3 h LYS 160 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3kt3 h LYS 160 CO 0.06 0.41 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.34 3kt3 h ASN 161 N 0.58 -0.25 -0.82 0.86 2.35 -0.82 -2.83 115.58 114.65 3kt3 h ASN 161 Ca 0.16 -0.13 0.15 0.00 -0.55 0.00 0.00 56.30 55.93 3kt3 h ASN 161 Cb -0.03 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3kt3 h ASN 161 CO -0.03 -0.02 0.54 -0.26 -1.65 0.00 0.00 177.43 176.01 3kt3 h PHE 162 N -0.47 0.65 -0.26 1.19 0.04 -0.93 -1.53 116.94 115.63 3kt3 h PHE 162 Ca -0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3kt3 h PHE 162 Cb 0.36 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3kt3 h PHE 162 CO -0.01 0.24 0.01 0.00 -0.60 0.00 0.00 178.31 177.95 3kt3 h ALA 163 N 1.62 0.35 0.19 2.45 0.00 -0.97 0.16 119.26 123.06 3kt3 h ALA 163 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kt3 h ALA 163 Cb 0.79 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3kt3 h ALA 163 CO -0.16 0.08 -0.19 -0.09 0.00 0.00 0.00 179.25 178.89 3kt3 h ARG 164 N 0.24 -0.39 -0.27 0.00 9.65 -1.10 -1.28 114.38 121.23 3kt3 h ARG 164 Ca 0.08 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3kt3 h ARG 164 Cb 0.40 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 3kt3 h ARG 164 CO 0.01 -0.26 0.16 0.93 2.80 0.00 0.00 179.97 183.61 3kt3 h GLU 165 N -0.41 0.33 0.00 0.20 3.07 -1.27 -2.60 114.58 113.89 3kt3 h GLU 165 Ca -0.00 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3kt3 h GLU 165 Cb 0.38 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3kt3 h GLU 165 CO -0.04 0.22 -0.23 -0.91 -1.40 0.00 0.00 179.01 176.65 3kt3 h ASN 166 N 0.34 0.00 -0.37 1.42 -0.26 -0.62 -2.28 115.58 113.81 3kt3 h ASN 166 Ca 0.10 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.72 3kt3 h ASN 166 Cb -0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3kt3 h ASN 166 CO -0.04 0.23 -0.20 0.00 -1.06 0.00 0.00 177.43 176.36 3kt3 h ALA 167 N 1.77 0.82 -0.13 -0.83 0.00 -0.90 -1.00 119.26 119.00 3kt3 h ALA 167 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kt3 h ALA 167 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kt3 h ALA 167 CO 0.03 0.65 0.08 0.87 0.00 0.00 0.00 179.25 180.88 3kt3 h LYS 168 N 0.75 0.17 -0.56 0.00 1.57 -1.06 0.20 116.57 117.64 3kt3 h LYS 168 Ca 0.11 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 3kt3 h LYS 168 Cb 0.73 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 3kt3 h LYS 168 CO 0.06 0.12 0.13 -0.44 -0.57 0.00 0.00 179.45 178.74 3kt3 h ASP 169 N 0.16 0.02 -0.41 0.86 3.32 -1.21 0.36 116.42 119.52 3kt3 h ASP 169 Ca 0.05 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kt3 h ASP 169 Cb -0.01 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kt3 h ASP 169 CO -0.01 0.03 0.20 0.40 -1.72 0.00 0.00 179.24 178.13 3kt3 h ILE 170 N 0.26 1.18 -0.83 0.35 2.04 -0.86 -2.57 117.51 117.08 3kt3 h ILE 170 Ca 0.29 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3kt3 h ILE 170 Cb 0.41 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3kt3 h ILE 170 CO -0.36 0.19 0.42 0.40 0.00 0.00 0.00 178.15 178.80 3kt3 h ILE 171 N 0.53 1.25 -0.13 -0.67 2.04 -0.24 -2.63 117.51 117.66 3kt3 h ILE 171 Ca 0.14 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3kt3 h ILE 171 Cb 0.13 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3kt3 h ILE 171 CO -0.02 0.29 0.12 0.00 0.00 0.00 0.00 178.15 178.55 3kt3 h ALA 172 N 1.29 1.88 -0.11 1.87 0.00 0.10 0.50 119.26 124.79 3kt3 h ALA 172 Ca 0.29 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kt3 h ALA 172 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kt3 h ALA 172 CO -0.04 -0.19 0.12 0.28 0.00 0.00 0.00 179.25 179.42 3kt3 h VAL 173 N 0.00 0.52 -0.35 0.00 2.07 -1.24 -3.44 116.25 113.82 3kt3 h VAL 173 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3kt3 h VAL 173 Cb 0.31 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3kt3 h VAL 173 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 3kt3 n GLY 174 N -1.38 0.91 3.94 2.17 0.00 0.18 -5.02 105.19 105.98 3kt3 n GLY 174 Ca -0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 3kt3 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt3 s PHE 175 N -2.11 3.48 -0.23 1.61 0.40 -1.22 -5.06 117.98 114.85 3kt3 s PHE 175 Ca 0.00 0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.52 3kt3 s PHE 175 Cb 0.00 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 3kt3 s PHE 175 CO 0.00 0.31 0.15 0.34 0.70 0.00 0.00 175.22 176.71 3kt3 s ASP 176 N -3.56 6.06 0.59 1.36 -1.08 -1.26 -4.99 116.67 113.79 3kt3 s ASP 176 Ca 0.38 0.11 0.34 0.00 -0.52 0.00 0.00 52.55 52.86 3kt3 s ASP 176 Cb -0.10 -2.09 1.83 0.00 -1.46 0.00 0.00 42.92 41.10 3kt3 s ASP 176 CO 0.31 0.08 2.20 1.55 0.52 0.00 0.00 175.17 179.84 3kt3 h PRO 177 N 7.37 0.00 -0.09 4.34 0.13 -1.88 -2.37 132.00 139.50 3kt3 h PRO 177 Ca -0.38 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 3kt3 h PRO 177 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kt3 h PRO 177 CO 0.67 0.04 0.08 1.57 -0.23 0.00 0.00 178.00 180.13 3kt3 h LYS 178 N 0.00 0.00 0.00 0.86 2.10 -1.93 -2.88 116.57 114.71 3kt3 h LYS 178 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kt3 h LYS 178 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3kt3 h LYS 178 CO 0.01 0.00 -0.13 0.27 -2.00 0.00 0.00 179.45 177.60 3kt3 n ASN 179 N -4.14 0.94 -3.91 7.07 6.94 -1.08 -0.70 115.26 120.39 3kt3 n ASN 179 Ca -0.01 -1.90 -0.22 0.00 -0.02 0.00 0.00 54.58 52.43 3kt3 n ASN 179 Cb 0.18 -0.13 -0.17 0.00 -2.36 0.00 0.00 39.78 37.30 3kt3 n ASN 179 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kt3 s THR 180 N -0.80 0.72 -0.21 5.53 2.01 -0.92 -1.09 115.64 120.88 3kt3 s THR 180 Ca 0.06 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3kt3 s THR 180 Cb 0.05 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.84 3kt3 s THR 180 CO 0.01 0.28 -0.13 0.12 -0.69 0.00 0.00 174.62 174.21 3kt3 s PHE 181 N 1.13 2.92 -0.18 4.92 5.36 0.21 -4.53 117.98 127.80 3kt3 s PHE 181 Ca -0.07 -1.51 -0.05 0.00 -0.96 0.00 0.00 56.93 54.34 3kt3 s PHE 181 Cb -0.14 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 3kt3 s PHE 181 CO -0.01 -0.74 0.00 0.42 -1.46 0.00 0.00 175.22 173.43 3kt3 s ILE 182 N 1.33 4.08 0.02 3.12 1.01 -0.86 -0.45 121.20 129.45 3kt3 s ILE 182 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3kt3 s ILE 182 Cb -0.15 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3kt3 s ILE 182 CO -0.08 0.45 -0.06 0.72 0.00 0.00 0.00 174.94 175.97 3kt3 s PHE 183 N 0.70 0.52 0.03 3.97 -0.71 -0.17 -3.69 117.98 118.64 3kt3 s PHE 183 Ca -0.00 -0.34 -0.23 0.00 -1.04 0.00 0.00 56.93 55.33 3kt3 s PHE 183 Cb -0.14 -0.32 -0.06 0.00 -1.21 0.00 0.00 43.02 41.29 3kt3 s PHE 183 CO 0.02 -0.06 0.67 0.45 -1.34 0.00 0.00 175.22 174.96 3kt3 s SER 184 N -0.99 7.10 0.14 1.98 0.15 -1.26 0.51 113.70 121.33 3kt3 s SER 184 Ca -0.06 1.31 -0.22 0.00 0.70 0.00 0.00 55.95 57.68 3kt3 s SER 184 Cb -0.07 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3kt3 s SER 184 CO 0.00 0.08 1.66 0.44 1.20 0.00 0.00 173.24 176.61 3kt3 h ASP 185 N 5.53 -0.56 -0.81 5.45 3.32 -1.57 -0.70 116.42 127.08 3kt3 h ASP 185 Ca -0.45 0.10 0.09 0.00 0.02 0.00 0.00 57.03 56.79 3kt3 h ASP 185 Cb 1.20 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.97 3kt3 h ASP 185 CO 0.70 -0.22 0.53 -0.07 -1.72 0.00 0.00 179.24 178.45 3kt3 h LEU 186 N -0.20 0.70 0.07 1.55 3.38 -1.95 0.17 115.31 119.03 3kt3 h LEU 186 Ca 0.11 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 3kt3 h LEU 186 Cb 0.37 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kt3 h LEU 186 CO -0.29 0.43 -1.29 1.56 0.09 0.00 0.00 178.44 178.93 3kt3 h GLN 187 N 0.78 0.14 0.00 1.13 4.20 -1.88 -3.37 115.11 116.12 3kt3 h GLN 187 Ca 0.37 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3kt3 h GLN 187 Cb 0.39 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3kt3 h GLN 187 CO -0.14 1.03 -1.45 0.98 -0.67 0.00 0.00 178.83 178.58 3kt3 n TYR 188 N -3.39 0.12 -1.67 2.96 9.36 -0.30 -4.96 117.16 119.28 3kt3 n TYR 188 Ca -0.09 0.04 -0.47 0.00 3.32 0.00 0.00 57.90 60.70 3kt3 n TYR 188 Cb 1.00 -0.38 -0.04 0.00 -0.63 0.00 0.00 39.34 39.29 3kt3 n TYR 188 CO 0.00 0.00 0.00 -0.12 0.22 0.00 0.00 176.86 176.96 3kt3 n MET 189 N -2.02 2.12 0.00 2.98 1.56 0.03 -4.78 117.12 117.01 3kt3 n MET 189 Ca -0.00 0.77 0.00 0.00 -0.27 0.00 0.00 57.70 58.20 3kt3 n MET 189 Cb 0.48 -2.56 0.00 0.00 2.15 0.00 0.00 33.22 33.29 3kt3 n MET 189 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kt3 n GLY 190 N 3.68 0.90 7.00 -5.12 0.00 -1.26 -4.96 105.19 105.43 3kt3 n GLY 190 Ca 0.19 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3kt3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt3 n GLY 191 N -1.84 2.00 0.25 -0.02 0.00 -1.26 -1.33 105.19 102.98 3kt3 n GLY 191 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.69 3kt3 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt3 h ALA 192 N -0.55 1.70 0.18 4.61 0.00 -1.88 -2.03 119.26 121.30 3kt3 h ALA 192 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kt3 h ALA 192 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kt3 h ALA 192 CO 0.00 0.22 -0.12 0.35 0.00 0.00 0.00 179.25 179.70 3kt3 h PHE 193 N 0.14 -0.31 -0.53 0.00 3.57 -1.57 -1.20 116.94 117.04 3kt3 h PHE 193 Ca 0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3kt3 h PHE 193 Cb 0.22 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3kt3 h PHE 193 CO 0.00 -0.19 0.12 -0.92 -2.23 0.00 0.00 178.31 175.09 3kt3 h TYR 194 N -0.30 0.84 -0.44 0.41 3.20 -0.80 -1.06 116.97 118.83 3kt3 h TYR 194 Ca -0.01 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.84 3kt3 h TYR 194 Cb 0.26 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3kt3 h TYR 194 CO -0.10 0.71 0.13 0.93 -1.64 0.00 0.00 178.16 178.20 3kt3 h GLU 195 N 0.79 0.28 -0.64 1.82 5.08 -1.16 -0.19 114.58 120.56 3kt3 h GLU 195 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3kt3 h GLU 195 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3kt3 h GLU 195 CO -0.00 0.18 0.07 1.15 -1.00 0.00 0.00 179.01 179.41 3kt3 h THR 196 N 0.29 1.26 -0.36 1.13 2.02 -0.76 -0.43 112.91 116.06 3kt3 h THR 196 Ca 0.21 -1.08 0.07 0.00 0.77 0.00 0.00 66.41 66.38 3kt3 h THR 196 Cb 0.23 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3kt3 h THR 196 CO -0.23 0.40 -0.02 0.58 0.37 0.00 0.00 175.52 176.61 3kt3 h VAL 197 N 1.00 0.71 -0.24 3.16 2.07 -0.73 0.74 116.25 122.96 3kt3 h VAL 197 Ca 0.19 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3kt3 h VAL 197 Cb 0.48 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kt3 h VAL 197 CO 0.02 0.01 0.13 0.58 0.02 0.00 0.00 177.57 178.33 3kt3 h VAL 198 N 0.08 1.12 -0.34 2.57 2.07 -0.59 0.95 116.25 122.10 3kt3 h VAL 198 Ca 0.17 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kt3 h VAL 198 Cb 0.25 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3kt3 h VAL 198 CO -0.31 0.12 -0.11 0.03 0.02 0.00 0.00 177.57 177.32 3kt3 h ARG 199 N 0.28 -0.03 -0.31 1.57 3.08 -0.77 -2.53 114.38 115.66 3kt3 h ARG 199 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3kt3 h ARG 199 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kt3 h ARG 199 CO -0.01 -0.02 0.13 0.28 -1.07 0.00 0.00 179.97 179.27 3kt3 h VAL 200 N -0.03 1.18 -0.01 2.04 2.07 -0.57 -2.91 116.25 118.02 3kt3 h VAL 200 Ca 0.17 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kt3 h VAL 200 Cb 0.29 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kt3 h VAL 200 CO -0.37 0.19 0.02 0.77 0.02 0.00 0.00 177.57 178.20 3kt3 h SER 201 N 0.35 0.00 1.73 0.57 4.64 -0.46 0.60 113.55 120.98 3kt3 h SER 201 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3kt3 h SER 201 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kt3 h SER 201 CO -0.01 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 175.86 3kt3 h ARG 202 N 0.00 0.00 -0.36 4.77 2.43 -1.25 -3.32 114.38 116.65 3kt3 h ARG 202 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kt3 h ARG 202 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3kt3 h ARG 202 CO -0.00 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.50 3kt3 n GLN 203 N -3.01 2.34 -4.06 0.20 1.13 0.20 -4.85 117.38 109.32 3kt3 n GLN 203 Ca 0.03 -2.15 -0.32 0.00 -1.94 0.00 0.00 57.00 52.63 3kt3 n GLN 203 Cb 0.47 -1.45 -0.16 0.00 0.11 0.00 0.00 30.24 29.21 3kt3 n GLN 203 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kt3 s ILE 204 N -1.32 1.90 0.64 5.09 1.01 -1.21 -4.89 121.20 122.41 3kt3 s ILE 204 Ca 0.34 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3kt3 s ILE 204 Cb 0.20 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3kt3 s ILE 204 CO 0.27 0.33 1.04 0.42 0.00 0.00 0.00 174.94 177.00 3kt3 s THR 205 N 1.31 4.23 0.21 2.92 -4.23 -1.26 -4.92 115.64 113.91 3kt3 s THR 205 Ca 0.01 0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 61.24 3kt3 s THR 205 Cb -0.15 -3.55 0.16 0.00 1.34 0.00 0.00 72.50 70.29 3kt3 s THR 205 CO -0.10 -0.87 1.78 1.23 -0.54 0.00 0.00 174.62 176.12 3kt3 h GLY 206 N -0.29 1.29 -0.05 3.99 0.00 -1.98 -1.54 103.07 104.49 3kt3 h GLY 206 Ca -0.45 -0.71 0.15 0.00 0.00 0.00 0.00 47.33 46.32 3kt3 h GLY 206 CO 0.59 0.67 0.12 0.23 0.00 0.00 0.00 176.54 178.14 3kt3 h SER 207 N 1.16 -0.07 -0.11 0.19 0.87 -1.99 0.72 113.55 114.32 3kt3 h SER 207 Ca 0.26 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.91 3kt3 h SER 207 Cb 0.23 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3kt3 h SER 207 CO -0.02 -0.06 -0.15 0.74 -0.53 0.00 0.00 176.83 176.82 3kt3 h THR 208 N 0.22 1.37 -1.00 2.23 2.02 -1.86 -2.23 112.91 113.66 3kt3 h THR 208 Ca 0.38 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.30 3kt3 h THR 208 Cb 0.63 2.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.97 3kt3 h THR 208 CO -0.51 0.39 0.64 0.00 0.37 0.00 0.00 175.52 176.41 3kt3 h ALA 209 N 0.56 1.48 -0.22 6.16 0.00 -0.87 -0.34 119.26 126.03 3kt3 h ALA 209 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3kt3 h ALA 209 Cb 0.70 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kt3 h ALA 209 CO 0.03 0.29 -0.25 0.87 0.00 0.00 0.00 179.25 180.19 3kt3 h LYS 210 N 1.05 0.56 -0.24 0.00 1.57 -0.85 -1.47 116.57 117.18 3kt3 h LYS 210 Ca 0.48 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 3kt3 h LYS 210 Cb 0.40 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kt3 h LYS 210 CO -0.24 0.90 -0.54 0.00 -0.57 0.00 0.00 179.45 179.00 3kt3 h ALA 211 N 0.65 0.59 0.17 3.86 0.00 -1.02 0.23 119.26 123.74 3kt3 h ALA 211 Ca 0.03 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 3kt3 h ALA 211 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kt3 h ALA 211 CO 0.06 0.68 -1.46 0.28 0.00 0.00 0.00 179.25 178.82 3kt3 h VAL 212 N 0.55 1.27 -0.00 0.00 2.07 -1.14 -3.38 116.25 115.61 3kt3 h VAL 212 Ca 0.01 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3kt3 h VAL 212 Cb 1.11 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 3kt3 h VAL 212 CO 0.11 0.84 -0.44 0.49 0.02 0.00 0.00 177.57 178.60 3kt3 n PHE 213 N -3.57 0.00 -1.07 1.57 3.72 -0.55 -4.99 117.46 112.57 3kt3 n PHE 213 Ca -0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.22 3kt3 n PHE 213 Cb 1.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.59 3kt3 n PHE 213 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kt3 n GLY 214 N 1.17 0.58 3.73 1.37 0.00 0.07 -5.01 105.19 107.10 3kt3 n GLY 214 Ca 0.03 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3kt3 n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt3 s PHE 215 N -2.05 2.19 0.30 1.61 0.08 -1.22 -5.03 117.98 113.85 3kt3 s PHE 215 Ca 0.00 1.58 0.02 0.00 0.12 0.00 0.00 56.93 58.65 3kt3 s PHE 215 Cb 0.00 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 3kt3 s PHE 215 CO 0.00 -2.41 0.10 0.54 -0.10 0.00 0.00 175.22 173.35 3kt3 s ASN 216 N -2.04 1.67 0.46 1.36 2.20 -1.26 -4.66 114.94 112.68 3kt3 s ASN 216 Ca 0.74 -1.44 0.30 0.00 -0.94 0.00 0.00 52.86 51.52 3kt3 s ASN 216 Cb -0.28 0.18 1.66 0.00 -2.00 0.00 0.00 41.25 40.81 3kt3 s ASN 216 CO 0.43 -0.75 1.93 0.44 -2.94 0.00 0.00 177.10 176.20 3kt3 h ASP 217 N 2.23 0.00 1.70 3.54 3.32 -2.01 0.59 116.42 125.80 3kt3 h ASP 217 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3kt3 h ASP 217 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3kt3 h ASP 217 CO 0.61 0.00 -0.00 0.77 -1.72 0.00 0.00 179.24 178.90 3kt3 h SER 218 N 0.00 0.00 -4.03 6.45 4.64 -2.03 -3.45 113.55 115.14 3kt3 h SER 218 Ca 0.00 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3kt3 h SER 218 Cb 0.04 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.19 3kt3 h SER 218 CO 0.00 0.00 0.45 -1.81 -0.87 0.00 0.00 176.83 174.60 3kt3 s ASP 219 N -5.26 6.14 0.61 4.97 1.01 0.20 -5.02 116.67 119.32 3kt3 s ASP 219 Ca 0.09 2.20 -0.16 0.00 0.71 0.00 0.00 52.55 55.40 3kt3 s ASP 219 Cb 0.09 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3kt3 s ASP 219 CO 0.63 -0.93 1.08 0.00 0.21 0.00 0.00 175.17 176.16 3kt3 h ILE 221 N 0.35 0.66 -0.47 0.00 3.07 -1.95 -1.81 117.51 117.36 3kt3 h ILE 221 Ca -0.47 -0.22 0.04 0.00 1.55 0.00 0.00 64.86 65.77 3kt3 h ILE 221 Cb 1.23 1.13 -0.04 0.00 -0.27 0.00 0.00 36.82 38.87 3kt3 h ILE 221 CO 0.56 0.05 0.22 1.23 -1.05 0.00 0.00 178.15 179.17 3kt3 h GLY 222 N 0.29 0.65 0.86 0.16 0.00 -1.98 -1.56 103.07 101.49 3kt3 h GLY 222 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3kt3 h GLY 222 CO 0.01 0.09 0.05 0.50 0.00 0.00 0.00 176.54 177.18 3kt3 h LYS 223 N 0.44 0.34 -0.90 4.80 1.57 -1.66 -2.11 116.57 119.06 3kt3 h LYS 223 Ca 0.21 -0.08 0.17 0.00 -1.87 0.00 0.00 60.65 59.08 3kt3 h LYS 223 Cb 0.14 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.30 3kt3 h LYS 223 CO -0.16 0.47 0.48 0.74 -0.57 0.00 0.00 179.45 180.41 3kt3 h PHE 224 N 0.16 0.85 0.06 -1.35 -1.00 -1.36 -2.79 116.94 111.51 3kt3 h PHE 224 Ca 0.07 0.04 -0.24 0.00 2.81 0.00 0.00 57.97 60.64 3kt3 h PHE 224 Cb 0.28 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3kt3 h PHE 224 CO 0.01 0.17 -1.08 1.25 -1.61 0.00 0.00 178.31 177.05 3kt3 h HIS 225 N 0.64 0.50 -0.96 -0.55 2.76 -1.08 -3.40 115.15 113.06 3kt3 h HIS 225 Ca 0.51 -0.32 0.22 0.00 -2.20 0.00 0.00 60.37 58.58 3kt3 h HIS 225 Cb 0.78 -0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.62 3kt3 h HIS 225 CO -0.07 1.19 0.62 0.35 -1.30 0.00 0.00 177.93 178.72 3kt3 h PHE 226 N 0.14 0.65 -1.05 5.26 3.57 -1.09 -1.06 116.94 123.35 3kt3 h PHE 226 Ca -0.10 0.02 0.28 0.00 3.53 0.00 0.00 57.97 61.70 3kt3 h PHE 226 Cb 1.76 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 40.22 3kt3 h PHE 226 CO 0.06 0.14 0.70 0.00 -2.23 0.00 0.00 178.31 176.98 3kt3 h ALA 227 N 1.61 2.47 -0.96 2.41 0.00 -1.78 0.20 119.26 123.21 3kt3 h ALA 227 Ca 0.52 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.63 3kt3 h ALA 227 Cb 1.22 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3kt3 h ALA 227 CO -0.24 -0.84 0.56 0.77 0.00 0.00 0.00 179.25 179.50 3kt3 h SER 228 N 0.28 0.73 -0.03 0.00 0.02 -1.51 0.12 113.55 113.16 3kt3 h SER 228 Ca 0.57 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.58 3kt3 h SER 228 Cb 1.67 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.17 3kt3 h SER 228 CO -0.21 0.29 -0.12 0.40 -1.14 0.00 0.00 176.83 176.04 3kt3 h ILE 229 N 0.75 1.49 -0.91 3.27 2.04 -0.79 0.29 117.51 123.65 3kt3 h ILE 229 Ca 0.54 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3kt3 h ILE 229 Cb 0.78 2.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 3kt3 h ILE 229 CO -0.36 0.44 0.54 1.56 0.00 0.00 0.00 178.15 180.33 3kt3 h GLN 230 N -0.47 1.24 -0.34 2.37 4.20 -1.42 -2.83 115.11 117.86 3kt3 h GLN 230 Ca -0.01 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 3kt3 h GLN 230 Cb 0.78 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3kt3 h GLN 230 CO 0.03 0.88 -0.13 0.82 -0.67 0.00 0.00 178.83 179.75 3kt3 h ILE 231 N 1.26 1.28 -0.93 2.54 2.04 -0.81 -3.24 117.51 119.65 3kt3 h ILE 231 Ca 0.33 -1.22 0.13 0.00 1.00 0.00 0.00 64.86 65.10 3kt3 h ILE 231 Cb -0.04 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 3kt3 h ILE 231 CO -0.06 0.40 0.55 0.00 0.00 0.00 0.00 178.15 179.04 3kt3 h ALA 232 N 0.79 1.42 0.00 1.87 0.00 -0.71 -1.54 119.26 121.09 3kt3 h ALA 232 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kt3 h ALA 232 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kt3 h ALA 232 CO 0.04 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.62 3kt3 n THR 233 N -4.73 0.93 1.05 0.00 -2.24 -1.09 -1.46 114.28 106.74 3kt3 n THR 233 Ca 0.18 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 3kt3 n THR 233 Cb 0.40 -1.04 0.60 0.00 -2.10 0.00 0.00 70.33 68.19 3kt3 n THR 233 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kt3 n ALA 234 N -1.59 2.24 -2.98 6.98 0.00 -0.58 -4.77 120.51 119.82 3kt3 n ALA 234 Ca 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3kt3 n ALA 234 Cb 0.19 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.10 3kt3 n ALA 234 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kt3 s PHE 235 N -2.80 3.01 0.52 0.00 0.08 -0.54 -4.44 117.98 113.80 3kt3 s PHE 235 Ca 0.18 -0.34 0.37 0.00 0.12 0.00 0.00 56.93 57.27 3kt3 s PHE 235 Cb 0.17 -1.96 1.99 0.00 -0.57 0.00 0.00 43.02 42.65 3kt3 s PHE 235 CO 0.44 -0.07 2.24 -1.00 -0.10 0.00 0.00 175.22 176.73 3kt3 h PRO 236 N 6.76 0.00 -0.16 0.24 0.13 -1.81 -2.26 132.00 134.91 3kt3 h PRO 236 Ca -0.31 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.86 3kt3 h PRO 236 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3kt3 h PRO 236 CO 0.62 0.02 0.15 0.66 -0.23 0.00 0.00 178.00 179.23 3kt3 h SER 237 N 0.00 0.00 0.57 1.44 4.64 -1.85 -0.32 113.55 118.04 3kt3 h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kt3 h SER 237 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kt3 h SER 237 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3kt3 n SER 238 N -3.99 0.09 -3.12 4.97 7.64 -0.85 -3.97 113.62 114.39 3kt3 n SER 238 Ca 0.01 0.52 -0.22 0.00 1.01 0.00 0.00 58.87 60.19 3kt3 n SER 238 Cb 0.27 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.89 3kt3 n SER 238 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kt3 n PHE 239 N -1.60 1.69 0.23 1.43 3.72 -0.13 -3.84 117.46 118.97 3kt3 n PHE 239 Ca 0.04 -3.88 0.11 0.00 -0.05 0.00 0.00 57.45 53.67 3kt3 n PHE 239 Cb 0.19 -0.45 0.51 0.00 -0.94 0.00 0.00 39.48 38.80 3kt3 n PHE 239 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kt3 h PRO 240 N 3.19 0.00 -0.01 -1.08 0.13 -1.71 -1.29 132.00 131.25 3kt3 h PRO 240 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kt3 h PRO 240 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kt3 h PRO 240 CO 0.63 0.19 -0.53 0.09 -0.23 0.00 0.00 178.00 178.15 3kt3 n ASN 241 N -3.39 1.34 -0.12 1.44 3.02 -1.26 -3.47 115.26 112.82 3kt3 n ASN 241 Ca -0.00 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 53.13 3kt3 n ASN 241 Cb 0.39 0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 40.16 3kt3 n ASN 241 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kt3 n VAL 242 N -0.62 1.32 -0.13 2.41 0.31 -1.14 -3.40 118.33 117.08 3kt3 n VAL 242 Ca 0.06 -0.36 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 3kt3 n VAL 242 Cb 0.32 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 3kt3 n VAL 242 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kt3 n LEU 243 N -3.97 1.89 -3.35 7.52 4.77 -0.54 -1.27 117.00 122.05 3kt3 n LEU 243 Ca -0.47 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 3kt3 n LEU 243 Cb 0.85 -0.79 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3kt3 n LEU 243 CO 0.05 0.56 0.10 0.61 -1.33 0.00 0.00 177.39 177.38 3kt3 n GLY 244 N 1.31 -0.40 3.61 -0.72 0.00 -0.89 -4.86 105.19 103.24 3kt3 n GLY 244 Ca -0.53 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 3kt3 n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kt3 s LEU 245 N -6.17 3.13 0.33 0.99 1.43 -1.26 -5.09 118.68 112.04 3kt3 s LEU 245 Ca 0.04 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3kt3 s LEU 245 Cb -0.00 -1.86 -0.13 0.00 0.03 0.00 0.00 46.19 44.22 3kt3 s LEU 245 CO 0.71 0.14 0.90 -2.65 0.23 0.00 0.00 176.35 175.69 3kt3 n PRO 246 N 0.36 1.13 -0.01 1.29 -0.02 -1.26 -4.73 135.00 131.77 3kt3 n PRO 246 Ca -0.12 0.40 0.23 0.00 -2.02 0.00 0.00 63.50 62.00 3kt3 n PRO 246 Cb 0.54 -1.78 0.72 0.00 -0.02 0.00 0.00 33.50 32.96 3kt3 n PRO 246 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kt3 h ASP 247 N 1.63 0.00 -0.41 2.55 3.45 -1.95 -0.44 116.42 121.25 3kt3 h ASP 247 Ca -0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.06 3kt3 h ASP 247 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3kt3 h ASP 247 CO 0.58 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 178.54 3kt3 n LYS 248 N -3.91 2.00 -2.47 3.56 5.02 -1.26 -4.36 118.16 116.74 3kt3 n LYS 248 Ca 0.12 -1.49 -0.43 0.00 -2.02 0.00 0.00 58.31 54.49 3kt3 n LYS 248 Cb 0.77 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 3kt3 n LYS 248 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kt3 s THR 249 N -1.47 4.35 0.62 -0.18 2.01 -0.18 -4.28 115.64 116.51 3kt3 s THR 249 Ca 0.28 1.63 -0.10 0.00 0.31 0.00 0.00 61.69 63.81 3kt3 s THR 249 Cb 0.15 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3kt3 s THR 249 CO 0.18 -0.14 1.01 -2.16 -0.69 0.00 0.00 174.62 172.82 3kt3 s PRO 250 N 3.44 3.40 0.34 4.92 0.04 -1.26 -4.45 135.00 141.42 3kt3 s PRO 250 Ca 0.53 0.59 0.09 0.00 0.04 0.00 0.00 61.00 62.25 3kt3 s PRO 250 Cb -0.20 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3kt3 s PRO 250 CO 0.13 -0.64 0.03 0.00 0.04 0.00 0.00 177.00 176.56 3kt3 s LEU 252 N -3.73 3.02 -0.37 0.00 2.96 0.30 -0.71 118.68 120.16 3kt3 s LEU 252 Ca 0.35 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3kt3 s LEU 252 Cb -0.01 -1.72 0.09 0.00 0.50 0.00 0.00 46.19 45.05 3kt3 s LEU 252 CO 0.20 0.14 0.12 -0.63 -1.32 0.00 0.00 176.35 174.86 3kt3 s ILE 253 N 0.50 3.12 -0.02 6.68 1.01 0.15 -1.77 121.20 130.86 3kt3 s ILE 253 Ca -0.05 -1.84 -0.26 0.00 0.00 0.00 0.00 60.65 58.50 3kt3 s ILE 253 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3kt3 s ILE 253 CO 0.03 -0.48 0.80 -2.84 0.00 0.00 0.00 174.94 172.45 3kt3 s PRO 254 N 1.16 4.49 0.16 2.79 0.02 -1.25 -1.29 135.00 141.09 3kt3 s PRO 254 Ca 0.04 1.08 -0.24 0.00 0.02 0.00 0.00 61.00 61.89 3kt3 s PRO 254 Cb -0.21 -3.43 0.06 0.00 0.02 0.00 0.00 34.50 30.94 3kt3 s PRO 254 CO -0.03 0.08 0.97 0.00 -0.33 0.00 0.00 177.00 177.68 3kt3 s ALA 256 N -3.12 2.86 0.67 0.00 0.00 -1.26 -0.35 121.76 120.55 3kt3 s ALA 256 Ca 0.14 0.30 0.28 0.00 0.00 0.00 0.00 51.96 52.67 3kt3 s ALA 256 Cb -0.02 -3.19 1.53 0.00 0.00 0.00 0.00 23.12 21.45 3kt3 s ALA 256 CO 0.03 -0.62 1.86 0.97 0.00 0.00 0.00 175.76 178.00 3kt3 h ILE 257 N 0.54 0.00 0.00 0.00 6.09 -1.76 -2.37 117.51 120.02 3kt3 h ILE 257 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3kt3 h ILE 257 Cb 1.21 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.12 3kt3 h ILE 257 CO 0.59 0.00 0.00 -2.24 -3.07 0.00 0.00 178.15 173.43 3kt3 h ASP 258 N 0.00 0.00 0.04 2.19 -0.00 -1.88 -2.87 116.42 113.90 3kt3 h ASP 258 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3kt3 h ASP 258 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.08 3kt3 h ASP 258 CO -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 179.24 179.16 3kt3 n GLN 259 N -2.92 1.52 -0.21 4.15 1.13 -0.89 -2.17 117.38 117.99 3kt3 n GLN 259 Ca 0.01 -0.95 -0.03 0.00 -1.94 0.00 0.00 57.00 54.10 3kt3 n GLN 259 Cb 0.30 -1.48 0.17 0.00 0.11 0.00 0.00 30.24 29.34 3kt3 n GLN 259 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 3kt3 h ASP 260 N 2.31 0.91 -1.01 1.08 1.82 -1.70 -3.06 116.42 116.77 3kt3 h ASP 260 Ca 0.00 -0.11 0.14 0.00 -0.39 0.00 0.00 57.03 56.66 3kt3 h ASP 260 Cb 0.56 -0.23 -0.09 0.00 0.68 0.00 0.00 39.33 40.24 3kt3 h ASP 260 CO 0.00 0.79 0.63 -0.65 -1.61 0.00 0.00 179.24 178.40 3kt3 h PRO 261 N 0.99 0.92 -0.55 0.28 0.11 -1.83 -0.23 132.00 131.69 3kt3 h PRO 261 Ca 0.24 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.39 3kt3 h PRO 261 Cb 0.14 -0.21 -0.08 0.00 0.11 0.00 0.00 31.00 30.97 3kt3 h PRO 261 CO -0.03 0.61 0.10 1.88 -0.21 0.00 0.00 178.00 180.36 3kt3 h TYR 262 N 0.95 0.16 -0.00 0.65 -1.99 -1.87 -2.75 116.97 112.11 3kt3 h TYR 262 Ca 0.52 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.28 3kt3 h TYR 262 Cb 0.58 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.32 3kt3 h TYR 262 CO -0.00 -0.03 -0.30 1.19 -0.00 0.00 0.00 178.16 179.02 3kt3 n PHE 263 N -5.13 0.00 -0.07 4.88 3.01 -0.25 -1.69 117.46 118.21 3kt3 n PHE 263 Ca 0.07 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.38 3kt3 n PHE 263 Cb 0.29 -0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3kt3 n PHE 263 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kt3 h ARG 264 N 0.49 0.82 -0.34 -1.08 3.08 -0.84 -2.22 114.38 114.29 3kt3 h ARG 264 Ca 0.00 -0.54 -0.16 0.00 0.07 0.00 0.00 59.98 59.35 3kt3 h ARG 264 Cb 0.47 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3kt3 h ARG 264 CO 0.00 1.17 -0.41 0.28 -1.07 0.00 0.00 179.97 179.94 3kt3 h VAL 265 N 0.58 1.28 -0.51 2.04 2.07 -1.36 -2.73 116.25 117.62 3kt3 h VAL 265 Ca 0.01 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3kt3 h VAL 265 Cb 1.15 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 3kt3 h VAL 265 CO 0.12 0.52 0.11 0.00 0.02 0.00 0.00 177.57 178.34 3kt3 h ARG 267 N 0.24 0.68 -0.20 0.00 3.08 -1.33 -1.21 114.38 115.65 3kt3 h ARG 267 Ca 0.26 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3kt3 h ARG 267 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3kt3 h ARG 267 CO -0.33 0.66 -0.18 0.22 -1.07 0.00 0.00 179.97 179.26 3kt3 h ASP 268 N 0.66 0.33 0.64 7.04 3.58 -1.05 -3.22 116.42 124.40 3kt3 h ASP 268 Ca 0.14 -0.09 -0.27 0.00 0.42 0.00 0.00 57.03 57.23 3kt3 h ASP 268 Cb 0.32 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 3kt3 h ASP 268 CO 0.00 0.54 -1.27 0.58 -2.88 0.00 0.00 179.24 176.21 3kt3 h VAL 269 N 0.31 1.46 -0.34 2.25 2.07 -0.55 -3.36 116.25 118.08 3kt3 h VAL 269 Ca 0.06 -3.06 -0.01 0.00 0.82 0.00 0.00 66.70 64.51 3kt3 h VAL 269 Cb 0.51 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3kt3 h VAL 269 CO 0.03 0.88 0.17 0.00 0.02 0.00 0.00 177.57 178.68 3kt3 h ALA 270 N 0.62 1.66 0.64 1.67 0.00 -1.25 -2.34 119.26 120.25 3kt3 h ALA 270 Ca -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kt3 h ALA 270 Cb 1.96 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3kt3 h ALA 270 CO 0.19 0.28 -0.39 -0.44 0.00 0.00 0.00 179.25 178.89 3kt3 h ASP 271 N 0.47 -1.00 -0.75 0.00 3.45 -1.72 -0.36 116.42 116.52 3kt3 h ASP 271 Ca 0.12 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.69 3kt3 h ASP 271 Cb 0.04 0.29 -0.05 0.00 -0.56 0.00 0.00 39.33 39.06 3kt3 h ASP 271 CO -0.02 -0.61 0.50 0.50 -1.57 0.00 0.00 179.24 178.04 3kt3 h LYS 272 N -0.97 0.82 0.00 3.56 1.63 -1.74 -2.03 116.57 117.84 3kt3 h LYS 272 Ca -0.09 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3kt3 h LYS 272 Cb 0.78 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3kt3 h LYS 272 CO 0.09 0.54 0.00 1.28 -3.45 0.00 0.00 179.45 177.91 3kt3 n LEU 273 N -4.47 0.00 -3.07 5.20 4.77 -0.90 -4.89 117.00 113.64 3kt3 n LEU 273 Ca 0.11 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 3kt3 n LEU 273 Cb 0.19 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3kt3 n LEU 273 CO 0.34 -0.00 0.15 1.17 -1.33 0.00 0.00 177.39 177.72 3kt3 n LYS 274 N -1.12 -6.23 -4.29 3.23 4.81 -0.76 -5.03 118.16 108.76 3kt3 n LYS 274 Ca 0.19 0.76 -0.28 0.00 -0.87 0.00 0.00 58.31 58.11 3kt3 n LYS 274 Cb 0.16 -5.48 -0.06 0.00 0.02 0.00 0.00 35.03 29.67 3kt3 n LYS 274 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kt3 s TYR 275 N -3.23 2.09 0.02 5.64 2.02 -0.18 -4.67 117.35 119.04 3kt3 s TYR 275 Ca 0.44 -0.78 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3kt3 s TYR 275 Cb -0.20 -1.83 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 3kt3 s TYR 275 CO 0.55 0.03 0.37 -1.12 -1.57 0.00 0.00 175.55 173.81 3kt3 s SER 276 N -3.99 6.69 0.18 2.29 0.01 -1.26 -4.38 113.70 113.23 3kt3 s SER 276 Ca 0.27 0.83 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 3kt3 s SER 276 Cb 0.02 -2.20 -0.08 0.00 0.21 0.00 0.00 66.02 63.97 3kt3 s SER 276 CO 0.16 0.27 1.27 -0.54 0.41 0.00 0.00 173.24 174.80 3kt3 s LYS 277 N -1.46 4.42 0.51 12.44 1.02 -1.26 -4.77 119.74 130.64 3kt3 s LYS 277 Ca 0.27 1.98 -0.19 0.00 0.02 0.00 0.00 55.97 58.05 3kt3 s LYS 277 Cb -0.15 -3.22 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 3kt3 s LYS 277 CO 0.15 -0.21 1.05 -1.25 -0.92 0.00 0.00 175.35 174.17 3kt3 s PRO 278 N -0.04 3.68 0.15 -1.68 0.04 -1.26 -4.67 135.00 131.23 3kt3 s PRO 278 Ca 0.56 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 3kt3 s PRO 278 Cb -0.35 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 3kt3 s PRO 278 CO 0.37 -0.53 0.46 0.00 0.04 0.00 0.00 177.00 177.34 3kt3 s ALA 279 N -2.03 3.67 0.14 8.56 0.00 0.12 -4.85 121.76 127.36 3kt3 s ALA 279 Ca 0.67 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.38 3kt3 s ALA 279 Cb -0.17 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 3kt3 s ALA 279 CO 0.23 0.56 -0.25 -0.51 0.00 0.00 0.00 175.76 175.79 3kt3 s LEU 280 N -2.34 2.34 -0.16 0.00 1.02 -0.63 0.30 118.68 119.21 3kt3 s LEU 280 Ca 0.40 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 3kt3 s LEU 280 Cb -0.13 -1.13 0.04 0.00 0.02 0.00 0.00 46.19 44.99 3kt3 s LEU 280 CO 0.21 0.14 -0.05 -0.76 0.02 0.00 0.00 176.35 175.90 3kt3 s LEU 281 N -2.15 1.57 -0.18 1.79 1.43 -0.41 -1.75 118.68 118.98 3kt3 s LEU 281 Ca 0.14 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 3kt3 s LEU 281 Cb -0.09 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 3kt3 s LEU 281 CO 0.06 -0.18 0.11 -1.00 0.23 0.00 0.00 176.35 175.57 3kt3 s HIS 282 N 1.64 3.40 0.20 0.29 3.76 0.65 -1.56 115.29 123.67 3kt3 s HIS 282 Ca 0.01 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3kt3 s HIS 282 Cb -0.15 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 3kt3 s HIS 282 CO -0.08 0.34 0.37 -1.54 -0.85 0.00 0.00 174.74 172.98 3kt3 s SER 283 N 0.08 6.37 0.89 1.40 1.04 0.52 -1.06 113.70 122.93 3kt3 s SER 283 Ca 0.08 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 3kt3 s SER 283 Cb -0.11 -1.98 0.13 0.00 0.10 0.00 0.00 66.02 64.15 3kt3 s SER 283 CO -0.00 -0.03 1.10 -0.13 0.98 0.00 0.00 173.24 175.16 3kt3 s ARG 284 N -3.38 1.30 0.22 4.02 0.52 0.19 -2.17 118.95 119.65 3kt3 s ARG 284 Ca 0.37 1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 56.41 3kt3 s ARG 284 Cb -0.11 -1.79 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 3kt3 s ARG 284 CO 0.29 -2.30 0.93 -0.06 0.02 0.00 0.00 175.30 174.18 3kt3 s PHE 285 N -2.80 3.96 -0.28 -0.53 0.08 -1.26 -4.86 117.98 112.28 3kt3 s PHE 285 Ca 0.64 1.89 -0.29 0.00 0.12 0.00 0.00 56.93 59.29 3kt3 s PHE 285 Cb -0.20 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.26 3kt3 s PHE 285 CO 0.58 0.43 1.73 0.12 -0.10 0.00 0.00 175.22 177.98 3kt3 s PHE 286 N -1.04 1.92 0.50 0.36 5.36 -1.26 -4.93 117.98 118.89 3kt3 s PHE 286 Ca 0.41 0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 56.72 3kt3 s PHE 286 Cb -0.26 -4.09 -0.07 0.00 -0.34 0.00 0.00 43.02 38.27 3kt3 s PHE 286 CO 0.31 -2.99 1.23 -2.30 -1.46 0.00 0.00 175.22 170.01 3kt3 n PRO 287 N 8.12 1.61 -1.73 10.12 -0.02 -1.26 -1.58 135.00 150.26 3kt3 n PRO 287 Ca 0.21 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 3kt3 n PRO 287 Cb 0.46 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3kt3 n PRO 287 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kt3 n ALA 288 N -0.81 1.56 -0.24 3.55 0.00 -0.62 -4.01 120.51 119.94 3kt3 n ALA 288 Ca 0.09 0.23 0.32 0.00 0.00 0.00 0.00 53.44 54.08 3kt3 n ALA 288 Cb 0.43 -2.32 0.69 0.00 0.00 0.00 0.00 19.45 18.25 3kt3 n ALA 288 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kt3 h LEU 289 N 2.00 0.00 -3.37 0.00 5.85 -1.91 -2.38 115.31 115.50 3kt3 h LEU 289 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3kt3 h LEU 289 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3kt3 h LEU 289 CO 0.59 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 3kt3 n GLN 290 N -3.84 4.20 0.00 1.25 6.02 -1.26 -2.15 117.38 121.60 3kt3 n GLN 290 Ca 0.23 -3.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.21 3kt3 n GLN 290 Cb 1.24 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 30.44 3kt3 n GLN 290 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kt3 n GLY 291 N 0.62 -0.73 2.57 1.08 0.00 -0.90 -4.71 105.19 103.12 3kt3 n GLY 291 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 3kt3 n GLY 291 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kt3 n SER 292 N 0.00 -5.56 0.00 1.61 3.41 -1.22 -4.79 113.62 107.07 3kt3 n SER 292 Ca 0.00 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3kt3 n SER 292 Cb 0.00 -4.84 0.26 0.00 -0.26 0.00 0.00 64.21 59.37 3kt3 n SER 292 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3kt3 n THR 293 N -2.65 0.02 -4.17 6.66 5.66 -1.26 -3.13 114.28 115.41 3kt3 n THR 293 Ca -0.21 -0.02 -0.16 0.00 -3.05 0.00 0.00 64.05 60.61 3kt3 n THR 293 Cb 0.68 0.20 -0.07 0.00 -1.55 0.00 0.00 70.33 69.59 3kt3 n THR 293 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3kt3 s THR 294 N -3.01 0.00 0.28 1.09 2.01 -1.26 -1.45 115.64 113.30 3kt3 s THR 294 Ca 0.11 -1.80 0.06 0.00 0.31 0.00 0.00 61.69 60.37 3kt3 s THR 294 Cb 0.17 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3kt3 s THR 294 CO 0.70 0.00 0.35 -1.59 -0.69 0.00 0.00 174.62 173.39 3kt3 s LYS 295 N -3.46 3.18 0.17 4.92 0.00 -1.26 -1.58 119.74 121.70 3kt3 s LYS 295 Ca 0.35 -0.94 -0.31 0.00 0.00 0.00 0.00 55.97 55.07 3kt3 s LYS 295 Cb 0.02 -2.77 -0.09 0.00 0.00 0.00 0.00 37.83 34.99 3kt3 s LYS 295 CO 0.21 0.29 1.48 1.41 0.00 0.00 0.00 175.35 178.73 3kt3 s MET 296 N -4.01 4.26 0.01 1.78 -2.45 -0.62 -4.20 119.30 114.08 3kt3 s MET 296 Ca 0.38 2.25 -0.02 0.00 -1.25 0.00 0.00 55.69 57.05 3kt3 s MET 296 Cb -0.09 -3.17 -0.01 0.00 1.25 0.00 0.00 34.83 32.81 3kt3 s MET 296 CO 0.29 -0.50 0.02 -1.12 1.05 0.00 0.00 175.02 174.75 3kt3 s SER 297 N 0.94 0.16 0.54 1.11 0.01 -1.26 -4.89 113.70 110.30 3kt3 s SER 297 Ca 0.66 -0.36 0.26 0.00 1.31 0.00 0.00 55.95 57.81 3kt3 s SER 297 Cb -0.41 0.12 1.53 0.00 0.21 0.00 0.00 66.02 67.47 3kt3 s SER 297 CO 0.34 -0.28 2.14 0.00 0.41 0.00 0.00 173.24 175.85 3kt3 h ALA 298 N 4.72 1.50 -0.84 1.44 0.00 -1.96 -1.12 119.26 123.01 3kt3 h ALA 298 Ca -0.31 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.66 3kt3 h ALA 298 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3kt3 h ALA 298 CO 0.42 0.09 0.55 1.03 0.00 0.00 0.00 179.25 181.33 3kt3 h SER 299 N 0.00 0.64 -2.28 0.00 0.87 -1.99 -3.29 113.55 107.50 3kt3 h SER 299 Ca -0.00 0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.93 3kt3 h SER 299 Cb 0.17 -0.10 -0.16 0.00 -0.44 0.00 0.00 62.40 61.87 3kt3 h SER 299 CO 0.01 0.35 0.86 -1.81 -0.53 0.00 0.00 176.83 175.71 3kt3 s ASP 300 N -5.90 6.50 0.11 6.23 1.01 -0.42 -5.02 116.67 119.18 3kt3 s ASP 300 Ca -0.10 -1.69 -0.31 0.00 0.71 0.00 0.00 52.55 51.17 3kt3 s ASP 300 Cb 0.21 -2.43 -0.07 0.00 1.01 0.00 0.00 42.92 41.64 3kt3 s ASP 300 CO 0.78 -1.23 1.25 -0.62 0.21 0.00 0.00 175.17 175.57 3kt3 s ASP 301 N 3.84 7.01 0.00 0.27 3.68 -1.24 -2.94 116.67 127.29 3kt3 s ASP 301 Ca 0.32 2.17 0.00 0.00 2.13 0.00 0.00 52.55 57.17 3kt3 s ASP 301 Cb -0.07 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 3kt3 s ASP 301 CO -0.05 -0.49 0.00 0.35 0.13 0.00 0.00 175.17 175.11 3kt3 n THR 302 N 3.49 0.00 0.17 1.71 -2.24 -1.26 -4.62 114.28 111.52 3kt3 n THR 302 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3kt3 n THR 302 Cb 0.45 -0.68 0.27 0.00 -2.10 0.00 0.00 70.33 68.27 3kt3 n THR 302 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kt3 n THR 303 N -1.53 0.70 -4.37 4.28 -1.04 -1.15 -4.94 114.28 106.22 3kt3 n THR 303 Ca 0.00 -0.79 -0.21 0.00 -2.04 0.00 0.00 64.05 61.02 3kt3 n THR 303 Cb 0.28 0.60 -0.13 0.00 -1.82 0.00 0.00 70.33 69.26 3kt3 n THR 303 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kt3 s ALA 304 N -1.30 1.31 -0.42 2.41 0.00 -1.15 -3.40 121.76 119.20 3kt3 s ALA 304 Ca 0.41 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 3kt3 s ALA 304 Cb 0.22 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.21 3kt3 s ALA 304 CO 0.30 0.25 0.27 0.42 0.00 0.00 0.00 175.76 177.00 3kt3 s ILE 305 N -0.91 4.52 0.50 0.00 1.01 -1.26 -5.02 121.20 120.03 3kt3 s ILE 305 Ca 0.02 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 3kt3 s ILE 305 Cb -0.08 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3kt3 s ILE 305 CO 0.02 -0.45 0.90 -0.36 0.00 0.00 0.00 174.94 175.05 3kt3 s PHE 306 N 1.50 3.51 -1.75 3.97 0.08 -1.26 -1.90 117.98 122.14 3kt3 s PHE 306 Ca 0.03 1.22 0.15 0.00 0.12 0.00 0.00 56.93 58.45 3kt3 s PHE 306 Cb -0.22 -2.61 0.84 0.00 -0.57 0.00 0.00 43.02 40.46 3kt3 s PHE 306 CO 0.04 -0.34 1.36 -1.33 -0.10 0.00 0.00 175.22 174.86 3kt3 n MET 307 N -1.82 0.36 0.07 0.44 2.81 -0.78 -1.82 117.12 116.39 3kt3 n MET 307 Ca 0.04 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.96 3kt3 n MET 307 Cb 0.54 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.47 3kt3 n MET 307 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3kt3 h THR 308 N 0.00 1.35 -3.26 2.03 2.02 -1.92 -3.45 112.91 109.68 3kt3 h THR 308 Ca 0.00 -2.97 -0.53 0.00 0.77 0.00 0.00 66.41 63.68 3kt3 h THR 308 Cb 0.06 2.66 0.08 0.00 -1.74 0.00 0.00 68.15 69.20 3kt3 h THR 308 CO 0.00 0.77 0.88 -1.81 0.37 0.00 0.00 175.52 175.73 3kt3 s ASP 309 N -6.54 6.42 0.58 4.18 1.01 -0.75 -5.01 116.67 116.56 3kt3 s ASP 309 Ca 0.01 2.89 -0.16 0.00 0.71 0.00 0.00 52.55 56.00 3kt3 s ASP 309 Cb 0.09 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3kt3 s ASP 309 CO 0.80 -0.88 1.05 0.42 0.21 0.00 0.00 175.17 176.77 3kt3 s THR 310 N 0.14 3.82 0.36 -1.27 -4.23 -1.26 -4.86 115.64 108.34 3kt3 s THR 310 Ca 0.64 0.89 0.15 0.00 -1.18 0.00 0.00 61.69 62.19 3kt3 s THR 310 Cb -0.47 -3.40 0.35 0.00 1.34 0.00 0.00 72.50 70.33 3kt3 s THR 310 CO 0.45 -0.48 1.70 -0.65 -0.54 0.00 0.00 174.62 175.10 3kt3 h PRO 311 N 0.56 0.38 -0.83 3.99 0.11 -1.95 0.99 132.00 135.25 3kt3 h PRO 311 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3kt3 h PRO 311 Cb 1.22 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3kt3 h PRO 311 CO 0.58 0.25 0.37 -0.22 -0.21 0.00 0.00 178.00 178.77 3kt3 h LYS 312 N 0.39 1.22 -0.20 1.05 3.64 -2.01 -2.78 116.57 117.88 3kt3 h LYS 312 Ca 0.69 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.75 3kt3 h LYS 312 Cb 1.61 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 3kt3 h LYS 312 CO -0.49 0.95 -0.39 1.96 -2.27 0.00 0.00 179.45 179.21 3kt3 h GLN 313 N 1.20 0.45 -0.72 1.90 4.20 -1.18 -2.47 115.11 118.49 3kt3 h GLN 313 Ca 0.28 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3kt3 h GLN 313 Cb 0.16 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3kt3 h GLN 313 CO -0.03 0.78 0.23 0.82 -0.67 0.00 0.00 178.83 179.96 3kt3 h ILE 314 N 0.38 1.26 0.59 2.54 2.04 -1.23 -2.45 117.51 120.64 3kt3 h ILE 314 Ca 0.04 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3kt3 h ILE 314 Cb 0.86 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kt3 h ILE 314 CO 0.07 0.35 -0.31 1.56 0.00 0.00 0.00 178.15 179.82 3kt3 h GLN 315 N 1.06 -0.79 -0.77 2.37 4.20 -1.34 -2.71 115.11 117.12 3kt3 h GLN 315 Ca 0.23 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.12 3kt3 h GLN 315 Cb 0.29 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 3kt3 h GLN 315 CO -0.01 -0.53 0.38 0.87 -0.67 0.00 0.00 178.83 178.87 3kt3 h LYS 316 N -0.82 0.58 -0.06 1.46 1.79 -1.45 0.10 116.57 118.16 3kt3 h LYS 316 Ca -0.08 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3kt3 h LYS 316 Cb 0.64 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3kt3 h LYS 316 CO 0.11 0.38 0.03 0.87 -1.08 0.00 0.00 179.45 179.76 3kt3 h LYS 317 N 0.59 0.08 -0.45 3.15 1.57 -1.51 0.10 116.57 120.11 3kt3 h LYS 317 Ca 0.40 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 3kt3 h LYS 317 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kt3 h LYS 317 CO -0.32 0.18 -0.16 0.82 -0.57 0.00 0.00 179.45 179.39 3kt3 h ILE 318 N -0.03 1.27 -0.24 1.86 2.04 -1.06 -0.08 117.51 121.27 3kt3 h ILE 318 Ca 0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 3kt3 h ILE 318 Cb 0.12 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3kt3 h ILE 318 CO -0.00 0.44 -0.01 0.78 0.00 0.00 0.00 178.15 179.36 3kt3 h ASN 319 N 0.74 0.43 -0.04 1.72 2.35 -0.76 -2.25 115.58 117.77 3kt3 h ASN 319 Ca 0.11 -0.32 -0.24 0.00 -0.55 0.00 0.00 56.30 55.30 3kt3 h ASN 319 Cb 0.72 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.99 3kt3 h ASN 319 CO 0.05 0.65 -0.87 0.50 -1.65 0.00 0.00 177.43 176.11 3kt3 h LYS 320 N 0.19 0.72 0.00 0.81 3.64 -0.80 -3.41 116.57 117.71 3kt3 h LYS 320 Ca 0.07 -0.65 -0.13 0.00 -1.27 0.00 0.00 60.65 58.66 3kt3 h LYS 320 Cb 0.44 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3kt3 h LYS 320 CO 0.01 1.25 -1.50 0.66 -2.27 0.00 0.00 179.45 177.60 3kt3 n TYR 321 N -3.89 0.00 -1.52 1.91 4.02 -0.05 -4.98 117.16 112.66 3kt3 n TYR 321 Ca -0.08 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.37 3kt3 n TYR 321 Cb 0.79 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 3kt3 n TYR 321 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kt3 n ALA 322 N -2.35 1.15 -1.65 -0.72 0.00 -0.85 -4.35 120.51 111.75 3kt3 n ALA 322 Ca -0.13 -0.35 -0.49 0.00 0.00 0.00 0.00 53.44 52.48 3kt3 n ALA 322 Cb 0.73 -2.80 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 3kt3 n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kt3 n PHE 323 N 11.95 2.07 -3.87 0.00 7.35 -0.91 -4.88 117.46 129.16 3kt3 n PHE 323 Ca 0.39 0.34 -0.36 0.00 -0.76 0.00 0.00 57.45 57.06 3kt3 n PHE 323 Cb 0.35 -2.50 -0.06 0.00 0.35 0.00 0.00 39.48 37.63 3kt3 n PHE 323 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3kt3 s SER 324 N 1.53 6.40 0.00 -2.13 0.15 -1.26 -1.92 113.70 116.47 3kt3 s SER 324 Ca 0.84 0.45 0.23 0.00 0.70 0.00 0.00 55.95 58.17 3kt3 s SER 324 Cb -0.78 -2.06 0.56 0.00 -1.71 0.00 0.00 66.02 62.03 3kt3 s SER 324 CO 0.45 0.36 1.46 0.61 1.20 0.00 0.00 173.24 177.32 3kt3 n GLY 325 N 1.64 0.94 0.00 9.45 0.00 -1.26 -4.87 105.19 111.09 3kt3 n GLY 325 Ca -0.17 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kt3 n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt3 n GLY 326 N 1.32 3.00 3.52 -0.02 0.00 -1.26 0.19 105.19 111.95 3kt3 n GLY 326 Ca 0.17 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 3kt3 n GLY 326 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt3 s GLN 327 N 2.10 2.82 0.12 1.61 -1.52 -1.26 -4.95 119.66 118.59 3kt3 s GLN 327 Ca 0.00 -0.60 -0.20 0.00 -1.95 0.00 0.00 55.36 52.61 3kt3 s GLN 327 Cb 0.00 -2.56 -0.07 0.00 -0.22 0.00 0.00 33.01 30.15 3kt3 s GLN 327 CO 0.00 0.57 1.77 0.28 -0.25 0.00 0.00 175.29 177.67 3kt3 h VAL 328 N 4.47 1.04 -3.23 1.09 2.07 -1.99 -3.42 116.25 116.28 3kt3 h VAL 328 Ca -0.44 -0.09 -0.55 0.00 0.82 0.00 0.00 66.70 66.44 3kt3 h VAL 328 Cb 1.17 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3kt3 h VAL 328 CO 0.53 0.05 0.57 -0.94 0.02 0.00 0.00 177.57 177.79 3kt3 s SER 329 N -5.36 7.19 0.22 0.57 1.04 -1.26 -4.94 113.70 111.16 3kt3 s SER 329 Ca -0.13 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 57.94 3kt3 s SER 329 Cb 0.08 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 63.94 3kt3 s SER 329 CO 0.69 -0.45 1.80 0.00 0.98 0.00 0.00 173.24 176.26 3kt3 h ALA 330 N 7.10 0.99 -0.36 5.32 0.00 -1.99 -0.84 119.26 129.49 3kt3 h ALA 330 Ca -0.36 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3kt3 h ALA 330 Cb 1.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3kt3 h ALA 330 CO 0.83 0.04 0.01 -0.44 0.00 0.00 0.00 179.25 179.69 3kt3 h ASP 331 N 0.70 -0.13 -0.25 0.00 3.32 -1.96 0.18 116.42 118.28 3kt3 h ASP 331 Ca 0.34 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 3kt3 h ASP 331 Cb 0.28 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3kt3 h ASP 331 CO -0.22 -0.03 -0.41 0.25 -1.72 0.00 0.00 179.24 177.11 3kt3 h LEU 332 N 0.11 0.86 -0.44 1.55 5.85 -1.86 -3.20 115.31 118.18 3kt3 h LEU 332 Ca 0.17 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3kt3 h LEU 332 Cb 0.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3kt3 h LEU 332 CO -0.28 1.16 0.27 -0.74 -0.34 0.00 0.00 178.44 178.50 3kt3 h HIS 333 N 0.65 0.57 -0.43 1.25 2.76 -0.48 0.73 115.15 120.21 3kt3 h HIS 333 Ca 0.05 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.35 3kt3 h HIS 333 Cb 0.97 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 3kt3 h HIS 333 CO 0.05 0.38 0.33 0.00 -1.30 0.00 0.00 177.93 177.40 3kt3 h ARG 334 N 0.58 0.00 0.00 5.26 2.47 -1.00 0.27 114.38 121.96 3kt3 h ARG 334 Ca 0.16 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.70 3kt3 h ARG 334 Cb -0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3kt3 h ARG 334 CO -0.03 0.00 -1.05 1.49 0.56 0.00 0.00 179.97 180.94 3kt3 h GLU 335 N 0.00 0.00 0.00 0.04 4.57 -1.33 -3.42 114.58 114.44 3kt3 h GLU 335 Ca 0.20 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.15 3kt3 h GLU 335 Cb 0.86 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 3kt3 h GLU 335 CO -0.00 0.88 -1.43 -0.07 -1.18 0.00 0.00 179.01 177.21 3kt3 h LEU 336 N -1.00 0.00 0.00 1.64 3.38 -0.81 -3.48 115.31 115.04 3kt3 h LEU 336 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kt3 h LEU 336 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3kt3 h LEU 336 CO -0.17 0.84 -0.00 0.61 0.09 0.00 0.00 178.44 179.81 3kt3 n GLY 337 N 1.45 -1.84 3.29 0.83 0.00 0.94 -4.87 105.19 104.99 3kt3 n GLY 337 Ca -0.11 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 3kt3 n GLY 337 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kt3 s GLY 338 N -2.18 1.24 -0.43 -0.02 0.00 0.69 -4.43 107.32 102.18 3kt3 s GLY 338 Ca 0.00 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 42.98 3kt3 s GLY 338 CO 0.00 -1.66 0.47 0.21 0.00 0.00 0.00 173.10 172.12 3kt3 s ASN 339 N -3.21 6.20 0.44 1.64 2.47 0.13 -3.65 114.94 118.96 3kt3 s ASN 339 Ca 0.19 -0.71 0.24 0.00 0.42 0.00 0.00 52.86 53.00 3kt3 s ASN 339 Cb 0.01 -2.24 0.92 0.00 -1.45 0.00 0.00 41.25 38.50 3kt3 s ASN 339 CO 0.04 -0.63 1.83 -0.65 -3.72 0.00 0.00 177.10 173.97 3kt3 h PRO 340 N 8.77 0.00 -0.07 0.43 0.11 -1.89 -2.84 132.00 136.50 3kt3 h PRO 340 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 3kt3 h PRO 340 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kt3 h PRO 340 CO 0.82 0.23 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.17 3kt3 h ASP 341 N 0.00 0.11 -0.26 -2.05 3.32 -1.97 -2.52 116.42 113.05 3kt3 h ASP 341 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kt3 h ASP 341 Cb 0.74 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3kt3 h ASP 341 CO 0.03 0.35 0.00 1.33 -1.72 0.00 0.00 179.24 179.23 3kt3 n VAL 342 N -4.21 0.48 -2.82 -1.35 0.24 -1.18 -4.95 118.33 104.54 3kt3 n VAL 342 Ca -0.02 -0.74 -0.43 0.00 -2.04 0.00 0.00 64.34 61.12 3kt3 n VAL 342 Cb 0.32 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 3kt3 n VAL 342 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kt3 s ASP 343 N -1.20 6.58 0.16 -1.34 -1.08 -0.95 -4.33 116.67 114.50 3kt3 s ASP 343 Ca 0.27 0.32 -0.16 0.00 -0.52 0.00 0.00 52.55 52.46 3kt3 s ASP 343 Cb 0.16 -2.45 0.08 0.00 -1.46 0.00 0.00 42.92 39.25 3kt3 s ASP 343 CO 0.22 -0.95 1.73 0.58 0.52 0.00 0.00 175.17 177.27 3kt3 h VAL 344 N 5.96 0.82 -0.80 1.11 2.07 -1.69 0.52 116.25 124.23 3kt3 h VAL 344 Ca -0.24 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.30 3kt3 h VAL 344 Cb 1.08 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 3kt3 h VAL 344 CO 1.00 0.04 0.45 0.00 0.02 0.00 0.00 177.57 179.08 3kt3 h ALA 345 N 1.28 1.13 -0.21 1.67 0.00 -1.90 -0.09 119.26 121.13 3kt3 h ALA 345 Ca 0.18 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3kt3 h ALA 345 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kt3 h ALA 345 CO -0.23 0.08 -0.68 -0.92 0.00 0.00 0.00 179.25 177.50 3kt3 h TYR 346 N 0.76 1.09 -0.24 0.00 5.03 -1.73 -2.74 116.97 119.14 3kt3 h TYR 346 Ca 0.38 -0.44 0.03 0.00 2.58 0.00 0.00 58.73 61.28 3kt3 h TYR 346 Cb 0.34 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 3kt3 h TYR 346 CO -0.07 1.28 0.07 1.96 -1.32 0.00 0.00 178.16 180.08 3kt3 h GLN 347 N 0.59 0.16 -0.98 1.82 1.08 -0.29 -1.33 115.11 116.16 3kt3 h GLN 347 Ca -0.03 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3kt3 h GLN 347 Cb 1.31 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.63 3kt3 h GLN 347 CO 0.15 0.11 0.62 1.88 -0.95 0.00 0.00 178.83 180.64 3kt3 h TYR 348 N 0.17 1.15 -0.48 2.96 -1.99 -1.08 -2.31 116.97 115.39 3kt3 h TYR 348 Ca 0.11 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 3kt3 h TYR 348 Cb 0.09 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.42 3kt3 h TYR 348 CO -0.14 0.57 0.27 -0.07 -0.00 0.00 0.00 178.16 178.79 3kt3 h LEU 349 N 1.10 0.59 -1.57 3.88 3.38 -1.06 -2.22 115.31 119.41 3kt3 h LEU 349 Ca 0.43 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 3kt3 h LEU 349 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kt3 h LEU 349 CO -0.19 0.50 -0.19 0.77 0.09 0.00 0.00 178.44 179.42 3kt3 h SER 350 N 0.63 0.00 -0.06 -0.43 4.64 -0.75 -0.21 113.55 117.37 3kt3 h SER 350 Ca 0.17 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.26 3kt3 h SER 350 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3kt3 h SER 350 CO -0.03 0.19 -0.83 -0.26 -0.87 0.00 0.00 176.83 175.03 3kt3 h PHE 351 N 0.00 1.00 -0.39 4.77 -1.00 -1.16 -3.37 116.94 116.79 3kt3 h PHE 351 Ca -0.00 -0.47 0.00 0.00 2.81 0.00 0.00 57.97 60.31 3kt3 h PHE 351 Cb 0.52 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.93 3kt3 h PHE 351 CO 0.00 1.29 0.00 1.19 -1.61 0.00 0.00 178.31 179.18 3kt3 n PHE 352 N -3.90 0.69 -3.75 -0.55 3.72 -0.86 -4.89 117.46 107.91 3kt3 n PHE 352 Ca -0.08 -0.58 -0.21 0.00 -0.05 0.00 0.00 57.45 56.53 3kt3 n PHE 352 Cb 0.77 -0.10 -0.18 0.00 -0.94 0.00 0.00 39.48 39.04 3kt3 n PHE 352 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kt3 s LYS 353 N -1.41 0.28 -1.14 -1.08 2.20 -0.14 -4.98 119.74 113.47 3kt3 s LYS 353 Ca 0.31 0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 56.04 3kt3 s LYS 353 Cb 0.19 -0.71 0.25 0.00 -1.51 0.00 0.00 37.83 36.05 3kt3 s LYS 353 CO 0.17 -0.29 1.26 -3.47 -0.36 0.00 0.00 175.35 172.66 3kt3 n ASP 354 N 5.06 5.53 -3.21 1.43 2.03 -1.26 -4.73 116.55 121.40 3kt3 n ASP 354 Ca -0.08 -3.06 -0.08 0.00 0.52 0.00 0.00 54.79 52.08 3kt3 n ASP 354 Cb 0.50 -1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 39.44 3kt3 n ASP 354 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kt3 s ASP 355 N 1.34 -0.31 0.42 1.67 -1.08 -1.26 -5.03 116.67 112.42 3kt3 s ASP 355 Ca 0.34 -1.38 0.09 0.00 -0.52 0.00 0.00 52.55 51.08 3kt3 s ASP 355 Cb -0.06 1.27 0.89 0.00 -1.46 0.00 0.00 42.92 43.55 3kt3 s ASP 355 CO -0.04 -0.18 2.03 0.44 0.52 0.00 0.00 175.17 177.93 3kt3 h ASP 356 N 6.63 0.34 0.16 -0.34 5.19 -1.99 -1.05 116.42 125.37 3kt3 h ASP 356 Ca 0.07 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3kt3 h ASP 356 Cb 1.10 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.53 3kt3 h ASP 356 CO 0.14 0.32 -0.08 0.58 -3.12 0.00 0.00 179.24 177.08 3kt3 h VAL 357 N 0.39 0.96 -0.91 -1.35 2.07 -1.99 -1.92 116.25 113.50 3kt3 h VAL 357 Ca 0.10 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3kt3 h VAL 357 Cb 0.08 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3kt3 h VAL 357 CO -0.01 0.21 0.58 0.15 0.02 0.00 0.00 177.57 178.51 3kt3 h PHE 358 N -0.71 1.07 -0.57 1.57 3.04 -1.96 -1.79 116.94 117.59 3kt3 h PHE 358 Ca -0.02 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 3kt3 h PHE 358 Cb 0.50 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3kt3 h PHE 358 CO 0.07 0.55 0.07 -0.07 -2.02 0.00 0.00 178.31 176.91 3kt3 h LEU 359 N 1.06 0.93 -0.83 0.59 4.07 -1.22 -1.70 115.31 118.20 3kt3 h LEU 359 Ca 0.39 -0.27 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 3kt3 h LEU 359 Cb 0.15 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 3kt3 h LEU 359 CO -0.17 0.96 -0.20 0.50 -1.08 0.00 0.00 178.44 178.46 3kt3 h LYS 360 N 0.86 0.65 -0.29 1.13 3.64 -1.03 0.33 116.57 121.86 3kt3 h LYS 360 Ca 0.17 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3kt3 h LYS 360 Cb 0.44 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3kt3 h LYS 360 CO 0.01 0.81 0.13 0.93 -2.27 0.00 0.00 179.45 179.06 3kt3 h GLU 361 N 0.58 0.43 -0.84 1.90 5.08 -1.21 0.80 114.58 121.31 3kt3 h GLU 361 Ca 0.09 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3kt3 h GLU 361 Cb 0.66 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3kt3 h GLU 361 CO 0.05 0.43 0.53 0.00 -1.00 0.00 0.00 179.01 179.02 3kt3 h TYR 363 N 1.01 -0.13 -0.32 0.00 3.20 -0.65 -2.58 116.97 117.49 3kt3 h TYR 363 Ca 0.35 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 3kt3 h TYR 363 Cb 0.08 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3kt3 h TYR 363 CO -0.03 0.09 -0.17 -0.44 -1.64 0.00 0.00 178.16 175.98 3kt3 h ASP 364 N -0.34 0.70 1.06 -2.11 3.32 -0.70 -2.69 116.42 115.68 3kt3 h ASP 364 Ca -0.01 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 3kt3 h ASP 364 Cb 0.28 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kt3 h ASP 364 CO 0.02 0.96 -0.13 0.11 -1.72 0.00 0.00 179.24 178.49 3kt3 h LYS 365 N 0.45 0.00 -0.01 3.56 1.57 -1.21 -2.12 116.57 118.80 3kt3 h LYS 365 Ca 0.07 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 3kt3 h LYS 365 Cb 0.70 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.02 3kt3 h LYS 365 CO 0.05 0.13 -0.74 -0.92 -0.57 0.00 0.00 179.45 177.39 3kt3 h TYR 366 N 0.00 0.76 -0.07 -1.35 3.20 -1.34 0.77 116.97 118.95 3kt3 h TYR 366 Ca -0.00 -0.41 -0.12 0.00 3.14 0.00 0.00 58.73 61.34 3kt3 h TYR 366 Cb 0.69 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3kt3 h TYR 366 CO 0.00 1.23 -0.48 0.87 -1.64 0.00 0.00 178.16 178.14 3kt3 h LYS 367 N 0.08 0.16 0.00 1.82 1.57 -1.34 0.20 116.57 119.06 3kt3 h LYS 367 Ca -0.09 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 3kt3 h LYS 367 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 3kt3 h LYS 367 CO 0.15 0.61 -0.70 0.66 -0.57 0.00 0.00 179.45 179.60 3kt3 h SER 368 N 0.13 0.00 0.00 0.86 4.64 -1.46 -3.37 113.55 114.35 3kt3 h SER 368 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kt3 h SER 368 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3kt3 h SER 368 CO 0.07 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3kt3 n GLY 369 N 0.76 0.51 0.26 -0.77 0.00 -0.93 -4.50 105.19 100.52 3kt3 n GLY 369 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3kt3 n GLY 369 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kt3 h GLU 370 N 3.34 0.36 -5.01 1.61 4.81 -1.35 -3.39 114.58 114.95 3kt3 h GLU 370 Ca 0.00 -0.07 -0.63 0.00 -0.13 0.00 0.00 59.36 58.53 3kt3 h GLU 370 Cb 0.00 -0.05 -0.15 0.00 0.63 0.00 0.00 28.75 29.17 3kt3 h GLU 370 CO 0.00 0.43 -0.51 -1.17 -0.73 0.00 0.00 179.01 177.04 3kt3 s LEU 371 N -8.94 4.08 0.56 1.64 0.20 0.09 -5.00 118.68 111.31 3kt3 s LEU 371 Ca -0.06 0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.69 3kt3 s LEU 371 Cb 0.16 -2.12 -0.06 0.00 -0.43 0.00 0.00 46.19 43.74 3kt3 s LEU 371 CO 0.74 0.01 0.99 -0.76 -0.29 0.00 0.00 176.35 177.05 3kt3 s LEU 372 N 1.35 3.45 0.17 -0.68 1.43 -1.26 -4.59 118.68 118.55 3kt3 s LEU 372 Ca 0.07 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 3kt3 s LEU 372 Cb -0.15 -4.44 0.10 0.00 0.03 0.00 0.00 46.19 41.73 3kt3 s LEU 372 CO 0.07 -0.71 1.65 -1.28 0.23 0.00 0.00 176.35 176.31 3kt3 h SER 373 N 0.32 -0.53 -0.09 2.29 0.87 -1.95 -0.57 113.55 113.89 3kt3 h SER 373 Ca -0.45 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 3kt3 h SER 373 Cb 1.19 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.44 3kt3 h SER 373 CO 0.62 -0.19 -0.05 1.23 -0.53 0.00 0.00 176.83 177.91 3kt3 h GLY 374 N -0.07 0.36 1.46 5.77 0.00 -1.93 -1.26 103.07 107.39 3kt3 h GLY 374 Ca 0.19 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3kt3 h GLY 374 CO -0.44 0.19 -0.68 0.83 0.00 0.00 0.00 176.54 176.44 3kt3 h GLU 375 N 0.33 0.55 -0.57 4.80 5.08 -1.79 -1.47 114.58 121.50 3kt3 h GLU 375 Ca 0.07 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3kt3 h GLU 375 Cb 0.31 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3kt3 h GLU 375 CO 0.01 1.03 0.31 1.98 -1.00 0.00 0.00 179.01 181.34 3kt3 h MET 376 N 0.39 0.81 -0.73 2.33 4.05 -0.73 -2.36 114.93 118.69 3kt3 h MET 376 Ca -0.02 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 3kt3 h MET 376 Cb 1.26 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 3kt3 h MET 376 CO 0.13 0.63 0.38 0.87 0.23 0.00 0.00 176.91 179.15 3kt3 h LYS 377 N 0.78 1.03 -0.91 0.39 1.57 -1.12 -2.12 116.57 116.19 3kt3 h LYS 377 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3kt3 h LYS 377 Cb 0.06 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3kt3 h LYS 377 CO -0.03 0.78 0.53 0.87 -0.57 0.00 0.00 179.45 181.02 3kt3 h LYS 378 N 1.01 1.24 -0.59 3.15 1.57 -1.03 0.24 116.57 122.17 3kt3 h LYS 378 Ca 0.25 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3kt3 h LYS 378 Cb 0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3kt3 h LYS 378 CO -0.04 0.89 0.11 -0.07 -0.57 0.00 0.00 179.45 179.77 3kt3 h LEU 379 N 1.26 0.92 0.39 2.94 3.38 -1.26 -1.05 115.31 121.88 3kt3 h LEU 379 Ca 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kt3 h LEU 379 Cb -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3kt3 h LEU 379 CO -0.06 0.93 -0.19 0.00 0.09 0.00 0.00 178.44 179.22 3kt3 h ILE 381 N -0.60 0.64 -0.31 0.00 2.04 -0.47 -1.33 117.51 117.48 3kt3 h ILE 381 Ca -0.05 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3kt3 h ILE 381 Cb 0.45 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3kt3 h ILE 381 CO 0.09 0.09 0.19 -0.08 0.00 0.00 0.00 178.15 178.44 3kt3 h GLU 382 N 0.49 0.42 -0.21 2.37 4.81 -1.05 -1.78 114.58 119.62 3kt3 h GLU 382 Ca 0.46 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.60 3kt3 h GLU 382 Cb 0.72 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3kt3 h GLU 382 CO -0.42 0.31 -0.06 1.15 -0.73 0.00 0.00 179.01 179.26 3kt3 h THR 383 N 0.41 1.29 -0.39 0.32 2.02 -0.81 -2.40 112.91 113.35 3kt3 h THR 383 Ca 0.11 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 3kt3 h THR 383 Cb -0.00 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3kt3 h THR 383 CO -0.02 0.33 0.10 -0.07 0.37 0.00 0.00 175.52 176.22 3kt3 h LEU 384 N 0.13 0.58 -0.71 2.58 3.38 -1.27 -1.77 115.31 118.23 3kt3 h LEU 384 Ca 0.05 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3kt3 h LEU 384 Cb 0.53 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3kt3 h LEU 384 CO 0.02 0.66 0.40 1.56 0.09 0.00 0.00 178.44 181.17 3kt3 h GLN 385 N 0.48 0.70 -0.77 1.13 4.20 -1.35 0.29 115.11 119.79 3kt3 h GLN 385 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3kt3 h GLN 385 Cb 0.31 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3kt3 h GLN 385 CO 0.00 0.46 0.47 1.49 -0.67 0.00 0.00 178.83 180.58 3kt3 h GLU 386 N 0.72 1.04 -0.06 1.46 4.81 -1.19 0.46 114.58 121.82 3kt3 h GLU 386 Ca 0.32 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3kt3 h GLU 386 Cb 0.21 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3kt3 h GLU 386 CO -0.19 0.73 -0.11 0.35 -0.73 0.00 0.00 179.01 179.06 3kt3 h PHE 387 N 1.05 0.22 -0.63 0.92 3.57 -0.65 -2.76 116.94 118.66 3kt3 h PHE 387 Ca 0.28 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3kt3 h PHE 387 Cb -0.05 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3kt3 h PHE 387 CO -0.01 0.70 0.36 0.28 -2.23 0.00 0.00 178.31 177.40 3kt3 h VAL 388 N -0.32 1.20 -0.37 1.41 2.07 -0.36 -0.60 116.25 119.28 3kt3 h VAL 388 Ca 0.00 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3kt3 h VAL 388 Cb 0.68 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3kt3 h VAL 388 CO 0.02 0.21 0.19 0.50 0.02 0.00 0.00 177.57 178.51 3kt3 h LYS 389 N 0.86 0.53 -0.64 1.57 3.64 -0.98 -0.31 116.57 121.24 3kt3 h LYS 389 Ca 0.22 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3kt3 h LYS 389 Cb 0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kt3 h LYS 389 CO -0.04 0.46 0.25 0.00 -2.27 0.00 0.00 179.45 177.86 3kt3 h ALA 390 N 1.04 0.84 -0.11 5.00 0.00 -1.30 -2.67 119.26 122.06 3kt3 h ALA 390 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kt3 h ALA 390 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kt3 h ALA 390 CO -0.02 0.46 0.03 0.35 0.00 0.00 0.00 179.25 180.07 3kt3 h PHE 391 N 0.91 0.05 0.00 0.00 3.57 -0.85 -2.10 116.94 118.51 3kt3 h PHE 391 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3kt3 h PHE 391 Cb 0.22 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3kt3 h PHE 391 CO 0.01 0.02 -0.08 1.96 -2.23 0.00 0.00 178.31 177.99 3kt3 h GLN 392 N 0.08 0.00 0.11 1.11 4.20 -0.91 -0.12 115.11 119.57 3kt3 h GLN 392 Ca 0.05 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.49 3kt3 h GLN 392 Cb 0.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kt3 h GLN 392 CO -0.06 0.08 -1.19 0.93 -0.67 0.00 0.00 178.83 177.93 3kt3 h GLU 393 N 0.00 0.36 -0.02 1.46 5.08 -1.18 -1.66 114.58 118.61 3kt3 h GLU 393 Ca -0.00 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 57.70 3kt3 h GLU 393 Cb 0.18 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3kt3 h GLU 393 CO 0.01 1.23 -0.57 0.00 -1.00 0.00 0.00 179.01 178.68 3kt3 h ARG 394 N 0.14 0.07 0.01 2.33 3.08 -0.78 -3.24 114.38 115.99 3kt3 h ARG 394 Ca -0.14 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 3kt3 h ARG 394 Cb 1.89 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.94 3kt3 h ARG 394 CO 0.20 0.62 -0.95 -0.09 -1.07 0.00 0.00 179.97 178.68 3kt3 h ARG 395 N 0.06 0.35 0.00 0.04 2.43 -1.05 -3.24 114.38 112.97 3kt3 h ARG 395 Ca -0.00 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3kt3 h ARG 395 Cb 1.02 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kt3 h ARG 395 CO 0.08 1.08 -0.09 0.00 -1.51 0.00 0.00 179.97 179.52 3kt3 h ALA 396 N 0.78 1.44 -0.52 2.80 0.00 -1.32 -2.41 119.26 120.03 3kt3 h ALA 396 Ca -0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3kt3 h ALA 396 Cb 1.60 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 3kt3 h ALA 396 CO 0.16 0.12 0.24 1.04 0.00 0.00 0.00 179.25 180.81 3kt3 n GLN 397 N -3.83 2.50 -3.91 0.00 6.02 -1.22 -4.80 117.38 112.13 3kt3 n GLN 397 Ca -0.02 -1.94 -0.35 0.00 -0.01 0.00 0.00 57.00 54.68 3kt3 n GLN 397 Cb 0.19 -1.85 -0.14 0.00 1.02 0.00 0.00 30.24 29.47 3kt3 n GLN 397 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kt3 s VAL 398 N -2.10 2.96 0.53 5.09 1.01 -0.91 -5.00 120.40 121.99 3kt3 s VAL 398 Ca 0.35 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.90 3kt3 s VAL 398 Cb 0.29 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3kt3 s VAL 398 CO 0.08 -0.17 0.27 1.51 0.00 0.00 0.00 175.10 176.79 3kt3 s ASP 399 N 1.29 4.46 0.39 3.32 1.47 -1.26 -4.97 116.67 121.37 3kt3 s ASP 399 Ca -0.04 -1.38 0.14 0.00 1.18 0.00 0.00 52.55 52.45 3kt3 s ASP 399 Cb -0.20 0.44 0.98 0.00 -0.34 0.00 0.00 42.92 43.80 3kt3 s ASP 399 CO -0.02 -1.01 1.84 -0.33 0.68 0.00 0.00 175.17 176.33 3kt3 h GLU 400 N 0.96 0.50 -0.65 2.11 5.08 -1.99 0.06 114.58 120.65 3kt3 h GLU 400 Ca -0.39 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 3kt3 h GLU 400 Cb 1.31 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3kt3 h GLU 400 CO 0.63 0.33 0.14 1.49 -1.00 0.00 0.00 179.01 180.61 3kt3 h GLU 401 N 0.52 1.04 -0.23 2.33 4.81 -1.99 -1.28 114.58 119.78 3kt3 h GLU 401 Ca 0.49 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3kt3 h GLU 401 Cb 1.06 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 3kt3 h GLU 401 CO -0.22 0.93 -0.31 1.15 -0.73 0.00 0.00 179.01 179.83 3kt3 h THR 402 N 0.99 1.32 -0.59 0.32 2.02 -1.41 -2.77 112.91 112.79 3kt3 h THR 402 Ca 0.21 -1.51 0.10 0.00 0.77 0.00 0.00 66.41 65.97 3kt3 h THR 402 Cb 0.37 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 3kt3 h THR 402 CO 0.00 0.47 0.19 -0.07 0.37 0.00 0.00 175.52 176.49 3kt3 h LEU 403 N 0.31 0.15 -1.18 2.58 3.38 -1.15 -2.59 115.31 116.81 3kt3 h LEU 403 Ca 0.02 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3kt3 h LEU 403 Cb 0.89 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3kt3 h LEU 403 CO 0.07 0.09 0.08 0.44 0.09 0.00 0.00 178.44 179.21 3kt3 h ASP 404 N 0.35 0.60 -0.01 -0.43 3.32 -1.16 0.28 116.42 119.37 3kt3 h ASP 404 Ca 0.30 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kt3 h ASP 404 Cb 0.40 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kt3 h ASP 404 CO -0.33 0.62 0.01 0.11 -1.72 0.00 0.00 179.24 177.93 3kt3 h LYS 405 N 0.63 0.00 0.06 3.56 1.57 -1.17 -1.87 116.57 119.35 3kt3 h LYS 405 Ca 0.14 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.56 3kt3 h LYS 405 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3kt3 h LYS 405 CO 0.00 0.00 -2.07 1.19 -0.57 0.00 0.00 179.45 178.01 3kt3 n PHE 406 N -4.31 0.75 -0.08 -1.35 3.72 -0.54 -4.73 117.46 110.93 3kt3 n PHE 406 Ca -0.03 0.20 -0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3kt3 n PHE 406 Cb 0.10 -1.09 -0.15 0.00 -0.94 0.00 0.00 39.48 37.39 3kt3 n PHE 406 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3kt3 n MET 407 N -3.67 0.67 -2.09 -1.08 2.81 0.87 -2.03 117.12 112.61 3kt3 n MET 407 Ca -0.38 0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.18 3kt3 n MET 407 Cb 0.95 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.83 3kt3 n MET 407 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kt3 s VAL 408 N -2.52 3.53 0.26 2.03 1.01 -0.71 -4.82 120.40 119.17 3kt3 s VAL 408 Ca -0.09 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 3kt3 s VAL 408 Cb 0.07 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 3kt3 s VAL 408 CO 0.82 -0.03 1.01 -2.65 0.00 0.00 0.00 175.10 174.25 3kt3 n PRO 409 N 6.10 1.22 -3.53 2.72 -0.02 -1.26 -4.86 135.00 135.37 3kt3 n PRO 409 Ca 0.15 0.43 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 3kt3 n PRO 409 Cb 0.43 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3kt3 n PRO 409 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3kt3 s HIS 410 N -0.85 -0.61 0.08 6.00 -3.43 -1.26 -5.07 115.29 110.15 3kt3 s HIS 410 Ca 0.62 1.05 -0.31 0.00 -0.80 0.00 0.00 55.06 55.63 3kt3 s HIS 410 Cb -0.75 0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 30.75 3kt3 s HIS 410 CO 0.58 -0.57 1.35 0.21 -2.00 0.00 0.00 174.74 174.31 3kt3 s LYS 411 N -1.18 4.33 0.12 -0.38 2.47 -1.22 -4.39 119.74 119.49 3kt3 s LYS 411 Ca -0.10 1.99 -0.17 0.00 -1.56 0.00 0.00 55.97 56.14 3kt3 s LYS 411 Cb -0.00 -3.33 -0.07 0.00 -1.46 0.00 0.00 37.83 32.97 3kt3 s LYS 411 CO 0.09 -0.43 0.58 -0.51 0.16 0.00 0.00 175.35 175.23 3kt3 s LEU 412 N 1.36 4.43 -0.19 5.43 1.43 -0.40 -4.94 118.68 125.79 3kt3 s LEU 412 Ca 0.63 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3kt3 s LEU 412 Cb -0.34 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3kt3 s LEU 412 CO 0.29 0.18 -0.13 -0.69 0.23 0.00 0.00 176.35 176.23 3kt3 s VAL 413 N -1.31 2.73 0.32 -1.59 1.01 0.12 -4.95 120.40 116.73 3kt3 s VAL 413 Ca 0.34 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kt3 s VAL 413 Cb -0.17 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3kt3 s VAL 413 CO 0.19 0.49 0.39 -1.66 0.00 0.00 0.00 175.10 174.51 3kt3 s TRP 414 N 1.28 1.22 -1.53 5.22 -2.14 -1.26 -4.31 118.94 117.42 3kt3 s TRP 414 Ca 0.03 -1.37 0.00 0.00 2.66 0.00 0.00 56.10 57.42 3kt3 s TRP 414 Cb -0.14 -0.28 0.00 0.00 -3.10 0.00 0.00 33.47 29.95 3kt3 s TRP 414 CO -0.07 -1.01 0.00 0.41 -2.66 0.00 0.00 176.95 173.62 3kt3 n GLY 415 N -0.55 1.48 0.00 3.67 0.00 -0.88 -4.85 105.19 104.08 3kt3 n GLY 415 Ca 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3kt3 n GLY 415 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kt3 n GLU 416 N -2.51 1.16 -1.99 1.61 1.02 -1.26 -4.97 120.64 113.70 3kt3 n GLU 416 Ca -0.14 -0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.57 3kt3 n GLU 416 Cb 0.48 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 30.78 3kt3 n GLU 416 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kt3 s LYS 417 N -2.46 3.03 0.18 3.49 1.02 -1.26 -4.98 119.74 118.77 3kt3 s LYS 417 Ca -0.02 1.89 -0.30 0.00 0.02 0.00 0.00 55.97 57.56 3kt3 s LYS 417 Cb 0.06 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.29 3kt3 s LYS 417 CO 0.38 -1.17 1.15 -2.00 -0.92 0.00 0.00 175.35 172.79 3kt3 s GLU 418 N -3.23 4.54 0.36 1.68 2.12 -1.26 -5.02 118.70 117.89 3kt3 s GLU 418 Ca 0.76 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 57.73 3kt3 s GLU 418 Cb -0.32 -3.26 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 3kt3 s GLU 418 CO 0.35 -0.00 0.78 1.03 -0.54 0.00 0.00 175.26 176.88 3kt3 s ARG 419 N -0.30 4.01 0.28 4.30 0.52 -1.26 -4.98 118.95 121.52 3kt3 s ARG 419 Ca 0.51 0.73 0.15 0.00 -0.52 0.00 0.00 55.73 56.59 3kt3 s ARG 419 Cb -0.31 -2.38 0.19 0.00 0.52 0.00 0.00 34.95 32.98 3kt3 s ARG 419 CO 0.36 0.09 1.50 -0.07 0.02 0.00 0.00 175.30 177.20 3kt3 h LEU 420 N 2.04 0.00 -7.87 2.53 4.07 -1.96 -3.43 115.31 110.68 3kt3 h LEU 420 Ca -0.48 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.03 3kt3 h LEU 420 Cb 1.18 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.59 3kt3 h LEU 420 CO 0.64 0.55 -0.79 0.54 -1.08 0.00 0.00 178.44 178.30 3kt3 s VAL 421 N -3.11 0.80 0.49 1.22 0.11 -1.26 -4.98 120.40 113.67 3kt3 s VAL 421 Ca 0.02 -0.30 -0.22 0.00 -2.93 0.00 0.00 61.98 58.56 3kt3 s VAL 421 Cb 0.09 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 34.12 3kt3 s VAL 421 CO 0.74 0.27 1.15 0.00 -3.33 0.00 0.00 175.10 173.94 3kt3 s ALA 422 N 0.68 2.86 0.23 1.54 0.00 -1.26 -4.99 121.76 120.81 3kt3 s ALA 422 Ca -0.11 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3kt3 s ALA 422 Cb -0.14 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3kt3 s ALA 422 CO 0.02 -0.70 1.25 -1.25 0.00 0.00 0.00 175.76 175.07 3kt3 s PRO 423 N -2.93 4.44 -0.05 0.00 0.04 -1.26 -4.99 135.00 130.25 3kt3 s PRO 423 Ca 0.67 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.76 3kt3 s PRO 423 Cb -0.27 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 3kt3 s PRO 423 CO 0.32 -0.14 -0.20 -1.59 0.04 0.00 0.00 177.00 175.43 3kt3 s LYS 424 N -0.58 2.51 0.00 4.56 0.00 -0.55 -4.94 119.74 120.73 3kt3 s LYS 424 Ca 0.53 -0.81 0.14 0.00 0.00 0.00 0.00 55.97 55.82 3kt3 s LYS 424 Cb -0.35 -2.26 0.82 0.00 0.00 0.00 0.00 37.83 36.04 3kt3 s LYS 424 CO 0.40 0.50 1.24 -0.35 0.00 0.00 0.00 175.35 177.15