#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd2 s GLU 26 N 0.00 2.59 0.27 0.00 0.41 -1.26 -5.01 118.70 115.70 3kd2 s GLU 26 Ca 0.00 -0.89 0.12 0.00 -0.41 0.00 0.00 54.97 53.79 3kd2 s GLU 26 Cb 0.00 -2.16 0.31 0.00 -1.78 0.00 0.00 34.13 30.50 3kd2 s GLU 26 CO 0.00 0.35 1.57 0.93 -0.49 0.00 0.00 175.26 177.62 3kd2 h GLU 27 N 6.15 0.00 -4.35 1.61 5.08 -2.00 -3.45 114.58 117.61 3kd2 h GLU 27 Ca -0.30 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.82 3kd2 h GLU 27 Cb 1.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 3kd2 h GLU 27 CO 0.47 0.62 -0.72 -0.06 -1.00 0.00 0.00 179.01 178.32 3kd2 s PHE 28 N -3.38 0.53 0.11 4.33 0.08 -1.26 -4.97 117.98 113.41 3kd2 s PHE 28 Ca -0.00 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.21 3kd2 s PHE 28 Cb 0.11 -0.33 -0.09 0.00 -0.57 0.00 0.00 43.02 42.15 3kd2 s PHE 28 CO 0.75 -0.13 1.59 -2.14 -0.10 0.00 0.00 175.22 175.19 3kd2 s PRO 29 N -1.64 4.22 0.02 0.24 0.02 -1.26 -4.98 135.00 131.62 3kd2 s PRO 29 Ca -0.11 2.31 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 3kd2 s PRO 29 Cb -0.09 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3kd2 s PRO 29 CO -0.00 -0.66 0.92 0.08 -0.33 0.00 0.00 177.00 177.01 3kd2 s VAL 30 N 1.92 4.80 0.69 3.83 1.01 -1.26 -5.02 120.40 126.37 3kd2 s VAL 30 Ca 0.71 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 64.48 3kd2 s VAL 30 Cb -0.41 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.72 3kd2 s VAL 30 CO 0.31 0.23 1.26 -2.65 0.00 0.00 0.00 175.10 174.25 3kd2 n PRO 31 N 3.53 0.84 -1.65 2.72 -0.02 -1.26 -4.88 135.00 134.29 3kd2 n PRO 31 Ca 0.04 0.35 -0.47 0.00 -2.02 0.00 0.00 63.50 61.39 3kd2 n PRO 31 Cb 0.51 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3kd2 n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kd2 n ASN 32 N -2.26 2.82 0.00 2.55 2.85 -1.26 -1.91 115.26 118.06 3kd2 n ASN 32 Ca 0.15 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.71 3kd2 n ASN 32 Cb 0.49 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.13 3kd2 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kd2 n GLY 33 N 3.29 0.53 3.60 8.20 0.00 -1.26 -5.04 105.19 114.51 3kd2 n GLY 33 Ca 0.18 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3kd2 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd2 s PHE 34 N -2.00 2.69 -0.03 1.61 0.08 -0.80 -4.54 117.98 114.99 3kd2 s PHE 34 Ca 0.00 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 56.90 3kd2 s PHE 34 Cb 0.00 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3kd2 s PHE 34 CO 0.00 0.54 -0.18 -1.83 -0.10 0.00 0.00 175.22 173.64 3kd2 s GLU 35 N -3.01 2.34 -0.23 0.44 -1.05 0.13 -4.83 118.70 112.48 3kd2 s GLU 35 Ca 0.27 -0.79 -0.16 0.00 -0.15 0.00 0.00 54.97 54.13 3kd2 s GLU 35 Cb -0.08 -2.25 -0.04 0.00 -0.44 0.00 0.00 34.13 31.32 3kd2 s GLU 35 CO 0.17 0.60 0.41 0.45 0.95 0.00 0.00 175.26 177.83 3kd2 s SER 36 N -0.74 6.38 0.33 0.83 0.15 -1.26 -1.22 113.70 118.18 3kd2 s SER 36 Ca 0.11 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.25 3kd2 s SER 36 Cb -0.10 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3kd2 s SER 36 CO 0.00 -0.14 0.36 0.00 1.20 0.00 0.00 173.24 174.66 3kd2 s ALA 37 N 1.69 1.42 0.06 5.45 0.00 -0.46 -5.02 121.76 124.90 3kd2 s ALA 37 Ca 0.18 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.32 3kd2 s ALA 37 Cb -0.15 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.29 3kd2 s ALA 37 CO 0.09 -0.71 -0.09 0.71 0.00 0.00 0.00 175.76 175.75 3kd2 s TYR 38 N -3.28 0.85 -0.04 0.00 1.51 -1.26 -1.40 117.35 113.73 3kd2 s TYR 38 Ca 0.37 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3kd2 s TYR 38 Cb 0.01 -0.49 0.03 0.00 -0.11 0.00 0.00 41.96 41.41 3kd2 s TYR 38 CO 0.25 -0.05 0.08 0.50 -1.11 0.00 0.00 175.55 175.21 3kd2 s ARG 39 N -2.05 -0.01 -0.18 -0.62 6.06 0.14 -4.95 118.95 117.34 3kd2 s ARG 39 Ca -0.04 0.32 -0.29 0.00 -2.50 0.00 0.00 55.73 53.23 3kd2 s ARG 39 Cb -0.07 -0.29 -0.01 0.00 0.06 0.00 0.00 34.95 34.64 3kd2 s ARG 39 CO 0.00 -0.22 1.18 -2.00 -2.50 0.00 0.00 175.30 171.76 3kd2 s GLU 40 N 1.50 4.25 -0.15 5.12 2.56 -1.26 -0.79 118.70 129.93 3kd2 s GLU 40 Ca -0.04 1.56 -0.00 0.00 0.00 0.00 0.00 54.97 56.48 3kd2 s GLU 40 Cb -0.12 -3.71 0.03 0.00 2.00 0.00 0.00 34.13 32.33 3kd2 s GLU 40 CO -0.04 -0.67 -0.09 0.08 -0.56 0.00 0.00 175.26 173.99 3kd2 s VAL 41 N 3.33 1.28 -1.54 3.70 1.01 0.80 -4.77 120.40 124.20 3kd2 s VAL 41 Ca 0.51 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3kd2 s VAL 41 Cb -0.19 -1.33 0.09 0.00 0.00 0.00 0.00 36.38 34.94 3kd2 s VAL 41 CO 0.12 0.28 0.88 0.47 0.00 0.00 0.00 175.10 176.85 3kd2 n ASP 42 N 4.84 -3.86 0.00 3.32 8.00 -1.26 -1.07 116.55 126.52 3kd2 n ASP 42 Ca -0.14 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3kd2 n ASP 42 Cb 0.49 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 3kd2 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd2 n GLY 43 N -1.64 0.88 3.31 0.44 0.00 -1.26 -4.88 105.19 102.04 3kd2 n GLY 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kd2 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd2 s VAL 44 N -3.46 3.09 -0.43 1.61 1.01 -0.23 -5.00 120.40 116.99 3kd2 s VAL 44 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 3kd2 s VAL 44 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3kd2 s VAL 44 CO 0.00 0.48 1.02 -0.75 0.00 0.00 0.00 175.10 175.85 3kd2 s LYS 45 N 0.98 3.75 -0.13 2.72 2.20 -1.26 -0.14 119.74 127.85 3kd2 s LYS 45 Ca -0.01 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 56.02 3kd2 s LYS 45 Cb -0.15 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 3kd2 s LYS 45 CO -0.01 -1.17 0.22 -0.51 -0.36 0.00 0.00 175.35 173.52 3kd2 s LEU 46 N 3.92 4.33 0.07 5.43 1.43 0.03 -1.23 118.68 132.66 3kd2 s LEU 46 Ca 0.42 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 3kd2 s LEU 46 Cb -0.10 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 3kd2 s LEU 46 CO 0.25 0.27 0.44 -2.28 0.23 0.00 0.00 176.35 175.26 3kd2 s HIS 47 N -0.35 3.64 0.15 0.29 5.65 -1.26 -0.68 115.29 122.72 3kd2 s HIS 47 Ca 0.15 0.93 -0.14 0.00 0.25 0.00 0.00 55.06 56.26 3kd2 s HIS 47 Cb -0.13 -2.26 0.02 0.00 -1.18 0.00 0.00 32.58 29.03 3kd2 s HIS 47 CO 0.04 0.54 0.37 1.52 -0.65 0.00 0.00 174.74 176.56 3kd2 s TYR 48 N -1.30 0.02 -0.07 3.88 1.13 -0.49 -0.39 117.35 120.13 3kd2 s TYR 48 Ca 0.31 -0.37 0.06 0.00 -1.41 0.00 0.00 57.07 55.65 3kd2 s TYR 48 Cb -0.15 0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 40.87 3kd2 s TYR 48 CO 0.17 -0.73 -0.24 0.08 -2.51 0.00 0.00 175.55 172.31 3kd2 s VAL 49 N -3.87 2.03 0.01 -3.49 1.01 -0.50 -1.35 120.40 114.23 3kd2 s VAL 49 Ca 0.08 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3kd2 s VAL 49 Cb 0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3kd2 s VAL 49 CO -0.07 0.56 -0.03 -0.75 0.00 0.00 0.00 175.10 174.82 3kd2 s LYS 50 N -0.04 0.23 0.09 2.72 2.20 -0.35 -0.75 119.74 123.83 3kd2 s LYS 50 Ca -0.07 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 54.99 3kd2 s LYS 50 Cb -0.15 -0.09 0.08 0.00 -1.51 0.00 0.00 37.83 36.16 3kd2 s LYS 50 CO 0.05 0.02 0.97 0.20 -0.36 0.00 0.00 175.35 176.23 3kd2 s GLY 51 N -0.58 -0.31 0.00 5.54 0.00 -0.62 -0.69 107.32 110.65 3kd2 s GLY 51 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3kd2 s GLY 51 CO -0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82 3kd2 n GLY 52 N -0.40 -0.26 3.27 0.20 0.00 -1.26 -0.25 105.19 106.49 3kd2 n GLY 52 Ca -0.07 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 3kd2 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kd2 s GLN 53 N -1.36 1.09 0.00 1.61 -0.21 -0.98 -4.53 119.66 115.29 3kd2 s GLN 53 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.10 3kd2 s GLN 53 Cb 0.00 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.96 3kd2 s GLN 53 CO 0.00 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 3kd2 n GLY 54 N 0.51 -0.61 3.63 3.09 0.00 -1.26 -2.35 105.19 108.21 3kd2 n GLY 54 Ca -0.15 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.32 3kd2 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kd2 n PRO 55 N 0.00 0.72 -2.94 1.61 -0.02 -1.26 -3.09 135.00 130.02 3kd2 n PRO 55 Ca 0.00 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 3kd2 n PRO 55 Cb 0.00 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.19 3kd2 n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kd2 s LEU 56 N -2.91 4.46 -0.11 2.45 2.96 -1.26 -0.68 118.68 123.59 3kd2 s LEU 56 Ca 0.76 1.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 3kd2 s LEU 56 Cb -0.37 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3kd2 s LEU 56 CO 0.47 0.00 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.58 3kd2 s VAL 57 N -0.04 2.05 -0.17 1.68 1.01 0.70 -0.48 120.40 125.15 3kd2 s VAL 57 Ca 0.40 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3kd2 s VAL 57 Cb -0.21 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kd2 s VAL 57 CO 0.24 0.55 0.02 -0.32 0.00 0.00 0.00 175.10 175.60 3kd2 s MET 58 N 0.47 3.86 -0.19 2.72 1.75 -0.10 -1.41 119.30 126.39 3kd2 s MET 58 Ca -0.16 -0.41 -0.04 0.00 -1.25 0.00 0.00 55.69 53.83 3kd2 s MET 58 Cb -0.17 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.38 3kd2 s MET 58 CO 0.06 0.26 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.15 3kd2 s LEU 59 N 0.37 3.11 -0.21 4.11 1.43 -0.30 -0.95 118.68 126.24 3kd2 s LEU 59 Ca 0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3kd2 s LEU 59 Cb -0.13 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.35 3kd2 s LEU 59 CO 0.01 0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 175.83 3kd2 s VAL 60 N 0.93 2.31 1.08 -1.59 1.01 0.74 -3.78 120.40 121.11 3kd2 s VAL 60 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3kd2 s VAL 60 Cb -0.15 -2.11 0.24 0.00 0.00 0.00 0.00 36.38 34.37 3kd2 s VAL 60 CO 0.01 0.34 1.22 -1.38 0.00 0.00 0.00 175.10 175.29 3kd2 s HIS 61 N 1.26 1.02 0.00 5.22 -3.43 -1.26 -1.50 115.29 116.61 3kd2 s HIS 61 Ca 0.01 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 3kd2 s HIS 61 Cb -0.15 -3.80 0.00 0.00 -1.43 0.00 0.00 32.58 27.20 3kd2 s HIS 61 CO -0.09 -3.27 0.00 0.41 -2.00 0.00 0.00 174.74 169.79 3kd2 n GLY 62 N -2.38 6.47 3.77 -1.38 0.00 -1.17 -2.85 105.19 107.65 3kd2 n GLY 62 Ca 0.14 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 3kd2 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kd2 s PHE 63 N 0.06 2.88 0.00 1.61 5.36 -1.26 -2.83 117.98 123.79 3kd2 s PHE 63 Ca 0.00 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3kd2 s PHE 63 Cb 0.00 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 3kd2 s PHE 63 CO 0.00 -2.13 0.00 0.41 -1.46 0.00 0.00 175.22 172.04 3kd2 n GLY 64 N 0.69 1.74 0.12 13.12 0.00 -1.26 -4.97 105.19 114.63 3kd2 n GLY 64 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3kd2 n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kd2 n GLN 65 N -2.00 0.56 -1.47 1.61 6.02 -1.13 -4.85 117.38 116.12 3kd2 n GLN 65 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3kd2 n GLN 65 Cb 0.00 0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.34 3kd2 n GLN 65 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kd2 n THR 66 N -0.03 0.00 -0.09 5.09 -2.24 -1.26 -4.72 114.28 111.04 3kd2 n THR 66 Ca -0.00 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.04 3kd2 n THR 66 Cb 0.02 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 68.97 3kd2 n THR 66 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3kd2 h TRP 67 N 0.87 0.00 0.00 4.78 5.08 -1.86 -2.61 115.95 122.21 3kd2 h TRP 67 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3kd2 h TRP 67 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3kd2 h TRP 67 CO 0.00 0.00 -0.03 -0.92 -1.28 0.00 0.00 178.44 176.21 3kd2 h TYR 68 N 0.00 0.00 0.00 0.12 3.20 -1.94 -1.28 116.97 117.07 3kd2 h TYR 68 Ca 0.35 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kd2 h TYR 68 Cb 1.61 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.88 3kd2 h TYR 68 CO 0.00 0.03 -0.00 1.05 -1.64 0.00 0.00 178.16 177.60 3kd2 h GLU 69 N 0.00 0.00 -0.06 1.82 4.11 -1.88 -1.62 114.58 116.95 3kd2 h GLU 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kd2 h GLU 69 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kd2 h GLU 69 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 180.00 3kd2 n TRP 70 N -3.18 0.06 0.30 2.06 7.02 -0.48 -4.58 117.44 118.63 3kd2 n TRP 70 Ca -0.03 -0.03 0.19 0.00 -1.02 0.00 0.00 57.50 56.61 3kd2 n TRP 70 Cb 0.09 0.00 0.90 0.00 -2.42 0.00 0.00 31.31 29.88 3kd2 n TRP 70 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 3kd2 h HIS 71 N 3.15 0.00 0.03 -5.99 2.07 -1.44 -0.42 115.15 112.55 3kd2 h HIS 71 Ca 0.00 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.26 3kd2 h HIS 71 Cb 0.67 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.62 3kd2 h HIS 71 CO 0.03 0.02 -1.36 1.96 -3.07 0.00 0.00 177.93 175.51 3kd2 h GLN 72 N 0.00 0.07 0.11 5.12 4.20 -1.83 -3.36 115.11 119.42 3kd2 h GLN 72 Ca -0.00 -0.12 -0.27 0.00 0.06 0.00 0.00 58.65 58.32 3kd2 h GLN 72 Cb 0.29 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3kd2 h GLN 72 CO 0.00 0.88 -1.25 1.25 -0.67 0.00 0.00 178.83 179.05 3kd2 h LEU 73 N 0.02 0.38 -0.43 1.46 5.85 -1.58 -3.38 115.31 117.63 3kd2 h LEU 73 Ca -0.16 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.22 3kd2 h LEU 73 Cb 1.91 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.76 3kd2 h LEU 73 CO 0.12 1.33 0.09 0.24 -0.34 0.00 0.00 178.44 179.88 3kd2 h MET 74 N 0.07 0.22 -0.27 1.25 2.86 -1.27 -1.84 114.93 115.94 3kd2 h MET 74 Ca -0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3kd2 h MET 74 Cb 1.96 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.55 3kd2 h MET 74 CO 0.19 0.14 0.06 -1.35 1.06 0.00 0.00 176.91 177.02 3kd2 h PRO 75 N 0.22 0.38 -0.04 -0.22 0.11 -1.75 -0.05 132.00 130.65 3kd2 h PRO 75 Ca 0.21 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3kd2 h PRO 75 Cb 0.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3kd2 h PRO 75 CO -0.27 0.35 -0.11 0.93 -0.21 0.00 0.00 178.00 178.69 3kd2 h GLU 76 N 0.38 0.14 -0.30 1.05 5.08 -1.60 -3.15 114.58 116.18 3kd2 h GLU 76 Ca 0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kd2 h GLU 76 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3kd2 h GLU 76 CO -0.00 0.73 0.13 -0.07 -1.00 0.00 0.00 179.01 178.79 3kd2 h LEU 77 N -0.41 0.37 -0.29 1.33 3.38 -1.17 -2.64 115.31 115.88 3kd2 h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kd2 h LEU 77 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3kd2 h LEU 77 CO 0.02 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3kd2 n ALA 78 N -2.49 1.44 0.23 1.53 0.00 -0.05 -0.14 120.51 121.03 3kd2 n ALA 78 Ca 0.01 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3kd2 n ALA 78 Cb 0.12 -1.22 0.34 0.00 0.00 0.00 0.00 19.45 18.70 3kd2 n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kd2 h LYS 79 N 0.00 0.00 0.00 0.00 1.57 -1.53 -3.31 116.57 113.31 3kd2 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kd2 h LYS 79 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kd2 h LYS 79 CO 0.00 0.05 -0.91 0.54 -0.57 0.00 0.00 179.45 178.56 3kd2 n ARG 80 N -3.13 1.19 -4.31 3.15 1.74 -0.24 -4.94 116.66 110.12 3kd2 n ARG 80 Ca 0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 3kd2 n ARG 80 Cb 0.47 -0.96 -0.10 0.00 -1.02 0.00 0.00 32.46 30.85 3kd2 n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kd2 s PHE 81 N -1.85 1.49 -0.17 -1.55 0.08 0.80 -4.41 117.98 112.36 3kd2 s PHE 81 Ca 0.00 -0.88 -0.26 0.00 0.12 0.00 0.00 56.93 55.91 3kd2 s PHE 81 Cb 0.00 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 3kd2 s PHE 81 CO 0.00 -0.01 0.85 0.99 -0.10 0.00 0.00 175.22 176.95 3kd2 s THR 82 N -3.40 4.87 -0.13 0.64 2.01 0.14 -2.33 115.64 117.44 3kd2 s THR 82 Ca 0.26 1.67 -0.00 0.00 0.31 0.00 0.00 61.69 63.92 3kd2 s THR 82 Cb 0.05 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3kd2 s THR 82 CO 0.07 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.20 3kd2 s VAL 83 N 2.19 3.06 -0.06 3.82 1.01 0.66 -0.21 120.40 130.87 3kd2 s VAL 83 Ca 0.39 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3kd2 s VAL 83 Cb -0.17 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3kd2 s VAL 83 CO 0.12 0.52 -0.14 -0.51 0.00 0.00 0.00 175.10 175.09 3kd2 s ILE 84 N 0.41 1.25 -0.33 2.22 2.07 -0.50 -1.58 121.20 124.74 3kd2 s ILE 84 Ca -0.10 -0.57 0.01 0.00 -1.41 0.00 0.00 60.65 58.59 3kd2 s ILE 84 Cb -0.16 -1.12 0.10 0.00 0.13 0.00 0.00 42.46 41.41 3kd2 s ILE 84 CO 0.05 0.38 0.08 0.00 -1.91 0.00 0.00 174.94 173.54 3kd2 s ALA 85 N 0.49 2.12 0.49 1.50 0.00 0.07 -1.14 121.76 125.28 3kd2 s ALA 85 Ca -0.12 -2.06 -0.13 0.00 0.00 0.00 0.00 51.96 49.64 3kd2 s ALA 85 Cb -0.15 -1.77 -0.07 0.00 0.00 0.00 0.00 23.12 21.13 3kd2 s ALA 85 CO 0.04 -1.69 0.91 -1.25 0.00 0.00 0.00 175.76 173.77 3kd2 s PRO 86 N 1.28 3.84 -0.04 0.00 0.04 -1.25 -1.42 135.00 137.46 3kd2 s PRO 86 Ca 0.10 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 3kd2 s PRO 86 Cb -0.18 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3kd2 s PRO 86 CO -0.18 -0.23 0.64 -0.51 0.04 0.00 0.00 177.00 176.77 3kd2 s ASP 87 N -3.27 6.97 0.58 6.66 1.01 0.47 -4.29 116.67 124.80 3kd2 s ASP 87 Ca 0.55 1.16 -0.20 0.00 0.71 0.00 0.00 52.55 54.77 3kd2 s ASP 87 Cb -0.10 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3kd2 s ASP 87 CO 0.34 -0.02 1.25 0.18 0.21 0.00 0.00 175.17 177.14 3kd2 n LEU 88 N 3.32 5.20 -4.63 1.23 4.77 -1.26 -4.55 117.00 121.07 3kd2 n LEU 88 Ca -0.04 0.91 -0.52 0.00 -0.03 0.00 0.00 56.01 56.33 3kd2 n LEU 88 Cb 0.51 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 3kd2 n LEU 88 CO 0.45 -0.97 1.06 -2.65 -1.33 0.00 0.00 177.39 173.95 3kd2 n PRO 89 N -1.20 1.32 0.00 3.23 -0.02 -1.26 -0.69 135.00 136.37 3kd2 n PRO 89 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3kd2 n PRO 89 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3kd2 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kd2 n GLY 90 N 3.08 3.17 3.91 -1.23 0.00 -0.46 -4.62 105.19 109.04 3kd2 n GLY 90 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3kd2 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd2 s LEU 91 N 0.00 3.96 0.00 0.99 1.43 0.13 -3.88 118.68 121.31 3kd2 s LEU 91 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3kd2 s LEU 91 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3kd2 s LEU 91 CO 0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3kd2 n GLY 92 N -1.39 3.21 1.36 -3.19 0.00 -1.26 -1.45 105.19 102.46 3kd2 n GLY 92 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3kd2 n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kd2 n GLN 93 N 14.00 3.59 -3.71 1.61 6.02 -1.26 -4.97 117.38 132.66 3kd2 n GLN 93 Ca 0.00 -3.00 -0.36 0.00 -0.01 0.00 0.00 57.00 53.63 3kd2 n GLN 93 Cb 0.00 -2.03 -0.06 0.00 1.02 0.00 0.00 30.24 29.18 3kd2 n GLN 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kd2 s SER 94 N -1.51 6.56 0.58 1.08 0.01 -0.53 -4.16 113.70 115.73 3kd2 s SER 94 Ca 0.48 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 58.22 3kd2 s SER 94 Cb 0.38 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 3kd2 s SER 94 CO 0.11 0.30 1.13 -1.61 0.41 0.00 0.00 173.24 173.58 3kd2 s GLU 95 N -1.45 3.19 0.82 12.44 2.02 -0.36 -2.02 118.70 133.32 3kd2 s GLU 95 Ca 0.24 1.57 -0.13 0.00 0.02 0.00 0.00 54.97 56.67 3kd2 s GLU 95 Cb -0.14 -1.99 0.09 0.00 0.10 0.00 0.00 34.13 32.19 3kd2 s GLU 95 CO 0.13 -0.98 1.19 -2.14 0.02 0.00 0.00 175.26 173.48 3kd2 s PRO 96 N -3.50 1.62 0.64 0.39 0.02 -1.26 -1.36 135.00 131.54 3kd2 s PRO 96 Ca 0.72 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 3kd2 s PRO 96 Cb -0.23 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3kd2 s PRO 96 CO 0.31 -2.21 1.12 -1.25 -0.33 0.00 0.00 177.00 174.64 3kd2 s PRO 97 N -4.25 2.88 0.02 5.54 0.04 -1.26 -4.72 135.00 133.26 3kd2 s PRO 97 Ca 0.71 1.46 0.20 0.00 0.04 0.00 0.00 61.00 63.42 3kd2 s PRO 97 Cb -0.27 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.12 3kd2 s PRO 97 CO 0.51 -1.20 0.63 1.63 0.04 0.00 0.00 177.00 178.62 3kd2 n LYS 98 N -2.19 0.64 -0.01 4.56 5.02 -1.26 -4.61 118.16 120.31 3kd2 n LYS 98 Ca 0.11 -0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3kd2 n LYS 98 Cb 0.52 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3kd2 n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kd2 h THR 99 N 0.00 0.00 -1.82 -0.18 1.35 -1.94 -3.51 112.91 106.80 3kd2 h THR 99 Ca -0.11 -0.17 0.24 0.00 -0.55 0.00 0.00 66.41 65.82 3kd2 h THR 99 Cb 1.30 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 3kd2 h THR 99 CO 0.01 0.00 0.61 0.61 -0.25 0.00 0.00 175.52 176.51 3kd2 n GLY 100 N 1.81 0.35 0.74 5.82 0.00 -1.26 -5.04 105.19 107.61 3kd2 n GLY 100 Ca -0.01 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.11 3kd2 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kd2 n TYR 101 N -0.62 0.27 -1.44 1.61 4.02 -1.26 -4.23 117.16 115.51 3kd2 n TYR 101 Ca 0.03 -0.21 -0.33 0.00 -0.01 0.00 0.00 57.90 57.38 3kd2 n TYR 101 Cb 0.39 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.79 3kd2 n TYR 101 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kd2 s SER 102 N -1.18 4.38 0.21 7.72 1.04 -1.26 -4.67 113.70 119.93 3kd2 s SER 102 Ca 0.24 2.17 -0.09 0.00 0.48 0.00 0.00 55.95 58.75 3kd2 s SER 102 Cb 0.15 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.97 3kd2 s SER 102 CO 0.21 -2.13 1.76 1.23 0.98 0.00 0.00 173.24 175.28 3kd2 h GLY 103 N -0.45 0.89 1.50 7.32 0.00 -1.86 -1.19 103.07 109.29 3kd2 h GLY 103 Ca -0.46 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 3kd2 h GLY 103 CO 0.50 0.02 -0.17 -2.09 0.00 0.00 0.00 176.54 174.80 3kd2 h GLU 104 N 0.47 0.59 -0.02 4.80 4.81 -1.91 -0.25 114.58 123.07 3kd2 h GLU 104 Ca 0.31 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kd2 h GLU 104 Cb 0.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kd2 h GLU 104 CO -0.28 0.73 -0.03 1.96 -0.73 0.00 0.00 179.01 180.67 3kd2 h GLN 105 N 0.53 0.05 -0.33 1.92 4.20 -1.74 -3.21 115.11 116.52 3kd2 h GLN 105 Ca 0.09 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3kd2 h GLN 105 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3kd2 h GLN 105 CO 0.04 0.56 -0.12 0.28 -0.67 0.00 0.00 178.83 178.93 3kd2 h VAL 106 N -0.45 1.24 -0.57 -0.54 2.07 -1.16 -2.87 116.25 113.96 3kd2 h VAL 106 Ca 0.00 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3kd2 h VAL 106 Cb 0.56 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3kd2 h VAL 106 CO 0.01 0.35 0.38 0.00 0.02 0.00 0.00 177.57 178.33 3kd2 h ALA 107 N 1.35 1.80 -0.45 1.67 0.00 -0.97 -2.21 119.26 120.45 3kd2 h ALA 107 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kd2 h ALA 107 Cb 0.52 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3kd2 h ALA 107 CO 0.03 0.12 0.19 0.28 0.00 0.00 0.00 179.25 179.87 3kd2 h VAL 108 N 0.58 0.91 -0.57 0.00 2.07 -1.51 0.61 116.25 118.35 3kd2 h VAL 108 Ca 0.24 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3kd2 h VAL 108 Cb 0.23 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3kd2 h VAL 108 CO -0.07 0.07 0.36 1.88 0.02 0.00 0.00 177.57 179.83 3kd2 h TYR 109 N 0.39 0.68 -0.21 1.57 0.05 -1.52 -1.25 116.97 116.68 3kd2 h TYR 109 Ca 0.20 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.81 3kd2 h TYR 109 Cb 0.16 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kd2 h TYR 109 CO -0.13 0.41 -0.61 -0.07 -1.05 0.00 0.00 178.16 176.71 3kd2 h LEU 110 N 0.72 0.90 -0.32 3.88 3.38 -1.33 -0.74 115.31 121.81 3kd2 h LEU 110 Ca 0.22 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3kd2 h LEU 110 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3kd2 h LEU 110 CO -0.08 1.32 0.18 -0.74 0.09 0.00 0.00 178.44 179.21 3kd2 h HIS 111 N 0.52 0.43 -0.62 1.13 2.76 -0.78 -1.30 115.15 117.29 3kd2 h HIS 111 Ca -0.02 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 3kd2 h HIS 111 Cb 1.23 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 3kd2 h HIS 111 CO 0.08 0.34 0.12 0.87 -1.30 0.00 0.00 177.93 178.05 3kd2 h LYS 112 N 0.40 1.00 0.37 5.26 1.57 -1.18 -0.95 116.57 123.03 3kd2 h LYS 112 Ca 0.11 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3kd2 h LYS 112 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kd2 h LYS 112 CO -0.02 0.91 -0.19 1.25 -0.57 0.00 0.00 179.45 180.83 3kd2 h LEU 113 N 0.95 -0.46 -0.65 2.94 5.85 -0.91 -2.07 115.31 120.95 3kd2 h LEU 113 Ca 0.20 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3kd2 h LEU 113 Cb 0.38 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3kd2 h LEU 113 CO 0.01 -0.32 0.33 0.00 -0.34 0.00 0.00 178.44 178.12 3kd2 h ALA 114 N 0.11 0.88 0.00 1.25 0.00 -1.10 -2.18 119.26 118.22 3kd2 h ALA 114 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kd2 h ALA 114 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kd2 h ALA 114 CO 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3kd2 h ARG 115 N 0.59 0.00 -0.28 0.00 2.47 -0.98 -0.52 114.38 115.67 3kd2 h ARG 115 Ca 0.31 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.95 3kd2 h ARG 115 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3kd2 h ARG 115 CO -0.23 0.00 -0.18 1.96 0.56 0.00 0.00 179.97 182.08 3kd2 h GLN 116 N 0.00 0.49 0.00 0.04 1.08 -0.70 -2.19 115.11 113.83 3kd2 h GLN 116 Ca 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3kd2 h GLN 116 Cb 0.42 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3kd2 h GLN 116 CO 0.00 0.66 -1.57 1.19 -0.95 0.00 0.00 178.83 178.16 3kd2 n PHE 117 N -4.16 0.13 -3.21 2.96 3.72 -0.59 -4.57 117.46 111.74 3kd2 n PHE 117 Ca 0.00 0.04 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 3kd2 n PHE 117 Cb 0.36 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 3kd2 n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kd2 n SER 118 N -2.10 0.88 0.19 4.37 2.88 -0.31 -4.97 113.62 114.56 3kd2 n SER 118 Ca -0.01 -2.88 0.06 0.00 -1.33 0.00 0.00 58.87 54.70 3kd2 n SER 118 Cb 0.50 -0.64 0.34 0.00 -0.75 0.00 0.00 64.21 63.66 3kd2 n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kd2 h PRO 119 N 3.77 0.00 -0.06 -1.46 0.13 -1.64 -3.31 132.00 129.43 3kd2 h PRO 119 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3kd2 h PRO 119 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3kd2 h PRO 119 CO 0.52 0.37 0.00 -0.25 -0.23 0.00 0.00 178.00 178.42 3kd2 n ASP 120 N -3.55 1.92 -3.92 1.44 8.00 -1.26 -5.01 116.55 114.17 3kd2 n ASP 120 Ca -0.00 -1.48 -0.10 0.00 0.71 0.00 0.00 54.79 53.92 3kd2 n ASP 120 Cb 0.50 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 3kd2 n ASP 120 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kd2 s ARG 121 N -0.79 0.58 0.76 -1.24 0.52 -1.25 -5.15 118.95 112.38 3kd2 s ARG 121 Ca 0.12 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.49 3kd2 s ARG 121 Cb 0.08 0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.83 3kd2 s ARG 121 CO 0.11 -0.14 1.14 -2.14 0.02 0.00 0.00 175.30 174.29 3kd2 s PRO 122 N -2.45 2.13 0.33 3.54 0.02 -1.26 -4.85 135.00 132.46 3kd2 s PRO 122 Ca -0.06 1.47 0.08 0.00 0.02 0.00 0.00 61.00 62.51 3kd2 s PRO 122 Cb -0.02 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3kd2 s PRO 122 CO -0.04 -1.78 -0.07 -0.59 -0.33 0.00 0.00 177.00 174.19 3kd2 s PHE 123 N -2.44 2.24 0.25 6.54 -0.71 0.46 -4.70 117.98 119.62 3kd2 s PHE 123 Ca 0.68 -0.60 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 3kd2 s PHE 123 Cb -0.23 -1.32 -0.06 0.00 -1.21 0.00 0.00 43.02 40.20 3kd2 s PHE 123 CO 0.49 0.44 0.54 -0.51 -1.34 0.00 0.00 175.22 174.84 3kd2 s ASP 124 N -3.56 6.52 -0.04 1.98 1.01 0.37 -1.08 116.67 121.87 3kd2 s ASP 124 Ca 0.32 0.79 0.03 0.00 0.71 0.00 0.00 52.55 54.40 3kd2 s ASP 124 Cb 0.04 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.80 3kd2 s ASP 124 CO 0.15 -0.12 -0.11 -0.22 0.21 0.00 0.00 175.17 175.08 3kd2 s LEU 125 N -3.16 1.70 -0.10 1.23 2.96 -0.59 -0.92 118.68 119.80 3kd2 s LEU 125 Ca 0.45 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3kd2 s LEU 125 Cb -0.11 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 45.91 3kd2 s LEU 125 CO 0.26 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.53 3kd2 s VAL 126 N 0.41 1.25 0.02 1.68 1.01 -0.12 -0.52 120.40 124.13 3kd2 s VAL 126 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3kd2 s VAL 126 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3kd2 s VAL 126 CO 0.02 0.39 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 3kd2 s ALA 127 N 1.10 0.35 -0.04 5.51 0.00 -0.15 -0.18 121.76 128.34 3kd2 s ALA 127 Ca -0.06 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3kd2 s ALA 127 Cb -0.14 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 3kd2 s ALA 127 CO -0.02 -0.01 -0.15 -1.58 0.00 0.00 0.00 175.76 174.01 3kd2 s HIS 128 N -0.78 1.51 0.00 0.00 2.46 -0.56 -1.25 115.29 116.66 3kd2 s HIS 128 Ca -0.06 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.04 3kd2 s HIS 128 Cb -0.06 -1.03 0.00 0.00 -0.13 0.00 0.00 32.58 31.36 3kd2 s HIS 128 CO -0.00 -0.16 0.00 -3.47 -2.47 0.00 0.00 174.74 168.64 3kd2 n ASP 129 N 3.23 0.00 0.00 9.88 -0.08 -0.73 -1.03 116.55 127.83 3kd2 n ASP 129 Ca -0.18 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.14 3kd2 n ASP 129 Cb 0.53 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.20 3kd2 n ASP 129 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3kd2 n ILE 130 N 0.00 1.16 0.06 5.18 -5.35 -1.26 -0.60 119.36 118.54 3kd2 n ILE 130 Ca 0.00 0.29 0.09 0.00 -0.27 0.00 0.00 62.75 62.86 3kd2 n ILE 130 Cb 0.00 -1.13 0.53 0.00 -1.74 0.00 0.00 39.64 37.30 3kd2 n ILE 130 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kd2 h GLY 131 N 1.56 0.35 0.74 3.28 0.00 -0.92 -1.58 103.07 106.49 3kd2 h GLY 131 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3kd2 h GLY 131 CO 0.00 0.10 -0.00 -2.22 0.00 0.00 0.00 176.54 174.42 3kd2 h ILE 132 N 0.30 1.26 -0.84 2.60 2.04 -1.00 -2.74 117.51 119.12 3kd2 h ILE 132 Ca 0.15 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.27 3kd2 h ILE 132 Cb 0.20 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 3kd2 h ILE 132 CO -0.03 0.23 0.55 -0.50 0.00 0.00 0.00 178.15 178.40 3kd2 h TRP 133 N -0.11 0.89 -0.19 1.37 6.55 -1.51 -1.32 115.95 121.63 3kd2 h TRP 133 Ca 0.03 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3kd2 h TRP 133 Cb 0.37 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 3kd2 h TRP 133 CO 0.04 0.43 0.00 0.09 -1.05 0.00 0.00 178.44 177.94 3kd2 n ASN 134 N -4.51 1.79 0.00 -3.49 3.02 -0.66 -4.13 115.26 107.28 3kd2 n ASN 134 Ca 0.14 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 3kd2 n ASN 134 Cb 0.29 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3kd2 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kd2 n THR 135 N 0.41 0.00 -0.20 3.41 -2.24 -0.92 -3.09 114.28 111.65 3kd2 n THR 135 Ca 0.16 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.95 3kd2 n THR 135 Cb 0.35 -0.75 0.10 0.00 -2.10 0.00 0.00 70.33 67.93 3kd2 n THR 135 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kd2 h TYR 136 N 0.00 0.03 -0.90 4.78 3.20 -1.41 -1.43 116.97 121.24 3kd2 h TYR 136 Ca 0.00 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3kd2 h TYR 136 Cb 0.77 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 3kd2 h TYR 136 CO 0.00 -0.13 0.59 -1.35 -1.64 0.00 0.00 178.16 175.63 3kd2 h PRO 137 N 0.15 1.08 0.00 1.82 0.11 -1.85 -1.56 132.00 131.76 3kd2 h PRO 137 Ca 0.32 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3kd2 h PRO 137 Cb 0.51 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3kd2 h PRO 137 CO -0.49 0.72 -0.30 0.00 -0.21 0.00 0.00 178.00 177.71 3kd2 h MET 138 N 1.12 0.00 -0.03 1.05 -0.00 -1.60 -2.16 114.93 113.31 3kd2 h MET 138 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.05 3kd2 h MET 138 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.63 3kd2 h MET 138 CO -0.11 0.30 -0.03 0.28 -0.00 0.00 0.00 176.91 177.35 3kd2 h VAL 139 N 0.00 1.39 0.00 -0.10 2.07 -0.57 -2.08 116.25 116.96 3kd2 h VAL 139 Ca -0.00 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3kd2 h VAL 139 Cb 1.01 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3kd2 h VAL 139 CO 0.04 0.32 -0.49 1.62 0.02 0.00 0.00 177.57 179.08 3kd2 h VAL 140 N -0.41 1.18 0.00 2.57 3.04 -1.31 -2.49 116.25 118.83 3kd2 h VAL 140 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 3kd2 h VAL 140 Cb 0.53 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3kd2 h VAL 140 CO 0.01 0.48 -0.49 0.11 -1.01 0.00 0.00 177.57 176.66 3kd2 h LYS 141 N 0.00 0.00 -1.26 4.17 1.57 -1.45 -3.37 116.57 116.23 3kd2 h LYS 141 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.34 3kd2 h LYS 141 Cb 0.96 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.86 3kd2 h LYS 141 CO 0.06 0.00 -1.07 0.09 -0.57 0.00 0.00 179.45 177.97 3kd2 n ASN 142 N -2.63 2.29 -0.25 0.86 3.02 -0.78 -4.96 115.26 112.81 3kd2 n ASN 142 Ca 0.03 -3.02 0.11 0.00 -0.03 0.00 0.00 54.58 51.67 3kd2 n ASN 142 Cb 0.50 -0.52 0.38 0.00 -0.61 0.00 0.00 39.78 39.54 3kd2 n ASN 142 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kd2 h GLN 143 N 2.90 0.66 0.00 3.52 4.20 -1.63 0.25 115.11 125.01 3kd2 h GLN 143 Ca 0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3kd2 h GLN 143 Cb 1.08 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3kd2 h GLN 143 CO 0.60 0.44 -0.04 0.00 -0.67 0.00 0.00 178.83 179.16 3kd2 h ALA 144 N 1.60 1.12 0.00 3.87 0.00 -1.93 -1.98 119.26 121.94 3kd2 h ALA 144 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kd2 h ALA 144 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kd2 h ALA 144 CO -0.18 0.05 -0.17 -0.25 0.00 0.00 0.00 179.25 178.70 3kd2 n ASP 145 N -3.30 0.66 -4.29 0.00 8.00 0.08 -4.47 116.55 113.22 3kd2 n ASP 145 Ca -0.02 0.42 -0.38 0.00 0.71 0.00 0.00 54.79 55.53 3kd2 n ASP 145 Cb 0.18 -0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 40.67 3kd2 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kd2 s ILE 146 N -3.10 3.88 -0.06 0.53 -1.09 -0.74 -0.40 121.20 120.22 3kd2 s ILE 146 Ca 0.10 -1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 57.34 3kd2 s ILE 146 Cb 0.14 -3.16 -0.10 0.00 -1.58 0.00 0.00 42.46 37.75 3kd2 s ILE 146 CO 0.62 -0.14 0.57 0.00 -1.23 0.00 0.00 174.94 174.76 3kd2 h ALA 147 N 8.24 -0.28 -2.89 9.38 0.00 -1.38 -3.46 119.26 128.88 3kd2 h ALA 147 Ca -0.25 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 3kd2 h ALA 147 Cb 1.09 0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 3kd2 h ALA 147 CO 0.61 -0.29 -0.71 1.03 0.00 0.00 0.00 179.25 179.89 3kd2 s ARG 148 N -2.87 0.52 -0.05 0.00 0.52 -1.26 -4.17 118.95 111.65 3kd2 s ARG 148 Ca -0.08 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 3kd2 s ARG 148 Cb 0.00 -0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.37 3kd2 s ARG 148 CO 0.29 -0.00 -0.08 -1.17 0.02 0.00 0.00 175.30 174.36 3kd2 s LEU 149 N -1.89 1.54 -0.17 2.53 2.96 -0.68 -1.54 118.68 121.43 3kd2 s LEU 149 Ca -0.07 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3kd2 s LEU 149 Cb -0.06 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.07 3kd2 s LEU 149 CO -0.02 0.00 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 3kd2 s VAL 150 N 0.66 1.60 -0.09 1.68 1.01 0.32 -0.71 120.40 124.87 3kd2 s VAL 150 Ca -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3kd2 s VAL 150 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3kd2 s VAL 150 CO 0.02 0.33 -0.12 -0.31 0.00 0.00 0.00 175.10 175.02 3kd2 s TYR 151 N 1.45 2.79 -0.01 5.22 2.02 -0.41 -0.98 117.35 127.43 3kd2 s TYR 151 Ca 0.02 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3kd2 s TYR 151 Cb -0.14 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3kd2 s TYR 151 CO -0.10 0.06 0.02 0.00 -1.57 0.00 0.00 175.55 173.96 3kd2 s MET 152 N -0.31 -0.01 -0.98 -0.62 0.23 -0.38 -1.29 119.30 115.93 3kd2 s MET 152 Ca 0.03 0.11 -0.06 0.00 -1.03 0.00 0.00 55.69 54.75 3kd2 s MET 152 Cb -0.13 -0.17 -0.07 0.00 -1.53 0.00 0.00 34.83 32.94 3kd2 s MET 152 CO 0.03 -0.10 0.86 0.39 -2.03 0.00 0.00 175.02 174.16 3kd2 n GLU 153 N 3.77 -2.11 0.00 3.16 -0.58 -0.91 -1.77 120.64 122.20 3kd2 n GLU 153 Ca -0.22 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3kd2 n GLU 153 Cb 0.54 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 3kd2 n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kd2 n ALA 154 N -3.11 0.00 -1.77 0.62 0.00 -1.26 -3.00 120.51 111.99 3kd2 n ALA 154 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 3kd2 n ALA 154 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3kd2 n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kd2 s PRO 155 N -1.83 4.19 0.24 0.00 0.05 -1.26 -4.94 135.00 131.45 3kd2 s PRO 155 Ca 0.00 1.71 -0.30 0.00 0.05 0.00 0.00 61.00 62.46 3kd2 s PRO 155 Cb 0.00 -2.71 -0.10 0.00 0.05 0.00 0.00 34.50 31.74 3kd2 s PRO 155 CO 0.00 -0.17 1.41 0.42 0.05 0.00 0.00 177.00 178.71 3kd2 s ILE 156 N -1.46 2.80 -0.20 0.56 1.01 -1.26 -4.76 121.20 117.88 3kd2 s ILE 156 Ca 0.55 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 3kd2 s ILE 156 Cb -0.28 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3kd2 s ILE 156 CO 0.35 0.10 1.98 -2.84 0.00 0.00 0.00 174.94 174.53 3kd2 s PRO 157 N -0.30 3.45 0.15 2.79 0.02 -1.26 -4.88 135.00 134.98 3kd2 s PRO 157 Ca 0.59 1.92 -0.03 0.00 0.02 0.00 0.00 61.00 63.49 3kd2 s PRO 157 Cb -0.40 -4.24 0.01 0.00 0.02 0.00 0.00 34.50 29.89 3kd2 s PRO 157 CO 0.42 -1.72 0.25 -0.40 -0.33 0.00 0.00 177.00 175.22 3kd2 n ASP 158 N 10.14 -0.73 0.24 2.53 5.68 -1.26 -4.37 116.55 128.78 3kd2 n ASP 158 Ca 0.25 -1.68 0.16 0.00 -0.50 0.00 0.00 54.79 53.02 3kd2 n ASP 158 Cb 0.45 1.26 0.86 0.00 -1.14 0.00 0.00 41.12 42.55 3kd2 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kd2 h ALA 159 N 1.84 1.00 0.00 2.12 0.00 -1.90 -2.01 119.26 120.31 3kd2 h ALA 159 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kd2 h ALA 159 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kd2 h ALA 159 CO 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.35 3kd2 h ARG 160 N 0.00 0.00 0.00 0.00 3.08 -1.96 -2.10 114.38 113.40 3kd2 h ARG 160 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd2 h ARG 160 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kd2 h ARG 160 CO 0.00 0.05 0.00 -0.84 -1.07 0.00 0.00 179.97 178.11 3kd2 h ILE 161 N 0.00 0.00 -0.00 2.04 3.07 -1.70 -1.44 117.51 119.48 3kd2 h ILE 161 Ca -0.00 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3kd2 h ILE 161 Cb 0.10 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3kd2 h ILE 161 CO 0.01 0.00 -0.01 -1.22 -1.05 0.00 0.00 178.15 175.88 3kd2 n TYR 162 N -3.02 0.00 0.86 0.16 4.01 -0.79 -3.38 117.16 115.00 3kd2 n TYR 162 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3kd2 n TYR 162 Cb 0.20 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 3kd2 n TYR 162 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kd2 n ARG 163 N -1.04 1.27 -2.24 -0.72 1.74 -0.54 -4.95 116.66 110.19 3kd2 n ARG 163 Ca 0.20 -0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 56.27 3kd2 n ARG 163 Cb 0.18 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3kd2 n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kd2 s PHE 164 N -2.38 3.13 0.42 -1.55 0.08 -1.22 -5.00 117.98 111.46 3kd2 s PHE 164 Ca 0.13 1.52 -0.23 0.00 0.12 0.00 0.00 56.93 58.47 3kd2 s PHE 164 Cb 0.15 -3.50 -0.10 0.00 -0.57 0.00 0.00 43.02 39.00 3kd2 s PHE 164 CO 0.58 -1.44 1.00 -1.25 -0.10 0.00 0.00 175.22 174.01 3kd2 s PRO 165 N -1.95 4.16 0.41 0.24 0.04 -1.26 -4.96 135.00 131.68 3kd2 s PRO 165 Ca 0.52 1.33 0.23 0.00 0.04 0.00 0.00 61.00 63.12 3kd2 s PRO 165 Cb -0.35 -2.37 0.61 0.00 0.04 0.00 0.00 34.50 32.43 3kd2 s PRO 165 CO 0.45 -0.11 1.69 0.00 0.04 0.00 0.00 177.00 179.07 3kd2 h ALA 166 N 2.21 0.92 -2.25 8.56 0.00 -1.97 -3.43 119.26 123.30 3kd2 h ALA 166 Ca -0.49 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3kd2 h ALA 166 Cb 1.20 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 3kd2 h ALA 166 CO 0.62 0.26 0.00 0.12 0.00 0.00 0.00 179.25 180.25 3kd2 s PHE 167 N -3.36 -0.57 0.26 0.00 5.36 -1.26 -4.30 117.98 114.12 3kd2 s PHE 167 Ca 0.03 1.20 0.07 0.00 -0.96 0.00 0.00 56.93 57.27 3kd2 s PHE 167 Cb 0.08 0.26 -0.05 0.00 -0.34 0.00 0.00 43.02 42.97 3kd2 s PHE 167 CO 0.66 -0.42 -0.08 0.95 -1.46 0.00 0.00 175.22 174.87 3kd2 s THR 168 N -0.47 1.67 -1.04 0.12 -4.23 -0.51 -4.91 115.64 106.28 3kd2 s THR 168 Ca -0.06 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3kd2 s THR 168 Cb -0.03 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.51 3kd2 s THR 168 CO 0.04 -0.37 1.17 0.00 -0.54 0.00 0.00 174.62 174.92 3kd2 n ALA 169 N -0.53 1.27 -0.01 3.99 0.00 -1.26 -1.19 120.51 122.78 3kd2 n ALA 169 Ca -0.06 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.46 3kd2 n ALA 169 Cb 0.63 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 3kd2 n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kd2 n GLN 170 N -1.48 0.66 0.00 0.00 6.02 -1.26 -5.10 117.38 116.21 3kd2 n GLN 170 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3kd2 n GLN 170 Cb 0.06 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3kd2 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kd2 n GLY 171 N 1.27 0.41 3.76 1.08 0.00 -0.33 -5.09 105.19 106.28 3kd2 n GLY 171 Ca -0.05 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3kd2 n GLY 171 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kd2 n GLU 172 N 0.00 2.60 -2.19 1.61 0.28 -1.26 -1.42 120.64 120.26 3kd2 n GLU 172 Ca 0.00 0.91 -0.26 0.00 -0.16 0.00 0.00 57.16 57.65 3kd2 n GLU 172 Cb 0.00 -2.63 0.10 0.00 1.43 0.00 0.00 31.44 30.34 3kd2 n GLU 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kd2 s SER 173 N -0.07 4.34 0.13 -1.84 1.04 -1.26 -4.76 113.70 111.28 3kd2 s SER 173 Ca 0.55 0.29 -0.15 0.00 0.48 0.00 0.00 55.95 57.11 3kd2 s SER 173 Cb -0.49 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 3kd2 s SER 173 CO 0.62 -1.91 1.62 -0.07 0.98 0.00 0.00 173.24 174.48 3kd2 h LEU 174 N -0.84 0.62 -2.97 2.42 3.38 -1.94 -3.36 115.31 112.62 3kd2 h LEU 174 Ca -0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3kd2 h LEU 174 Cb 1.29 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 3kd2 h LEU 174 CO 0.52 0.70 -0.58 1.33 0.09 0.00 0.00 178.44 180.50 3kd2 n VAL 175 N -4.55 1.63 0.29 1.22 0.24 -1.26 -4.68 118.33 111.23 3kd2 n VAL 175 Ca -0.00 -2.57 0.15 0.00 -2.04 0.00 0.00 64.34 59.87 3kd2 n VAL 175 Cb 0.21 0.06 0.89 0.00 -1.47 0.00 0.00 33.84 33.53 3kd2 n VAL 175 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3kd2 h TRP 176 N 0.89 0.00 0.00 6.34 5.08 -1.83 -1.83 115.95 124.59 3kd2 h TRP 176 Ca -0.05 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.92 3kd2 h TRP 176 Cb 1.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3kd2 h TRP 176 CO 0.55 0.02 -0.01 1.12 -1.28 0.00 0.00 178.44 178.84 3kd2 h HIS 177 N 0.00 0.00 -0.48 0.12 2.07 -1.89 -2.23 115.15 112.74 3kd2 h HIS 177 Ca -0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 3kd2 h HIS 177 Cb 0.06 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.96 3kd2 h HIS 177 CO 0.00 0.01 0.04 0.74 -3.07 0.00 0.00 177.93 175.65 3kd2 h PHE 178 N 0.00 0.04 -0.18 6.12 -1.00 -1.70 0.30 116.94 120.53 3kd2 h PHE 178 Ca -0.00 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 3kd2 h PHE 178 Cb 0.31 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 3kd2 h PHE 178 CO 0.00 -0.07 -0.15 0.77 -1.61 0.00 0.00 178.31 177.25 3kd2 h SER 179 N 0.16 0.44 -0.25 2.17 0.02 -1.59 -1.42 113.55 113.08 3kd2 h SER 179 Ca 0.24 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 3kd2 h SER 179 Cb 0.34 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 3kd2 h SER 179 CO -0.36 0.81 -0.07 0.15 -1.14 0.00 0.00 176.83 176.22 3kd2 h PHE 180 N 0.08 -0.14 -0.03 3.45 3.57 -1.32 -1.44 116.94 121.11 3kd2 h PHE 180 Ca 0.03 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3kd2 h PHE 180 Cb 0.68 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3kd2 h PHE 180 CO 0.08 -0.11 -0.62 0.74 -2.23 0.00 0.00 178.31 176.16 3kd2 h PHE 181 N -0.01 0.13 -0.00 0.41 0.04 -0.41 -3.13 116.94 113.97 3kd2 h PHE 181 Ca 0.12 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3kd2 h PHE 181 Cb 0.19 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3kd2 h PHE 181 CO -0.26 0.69 -0.23 0.00 -0.60 0.00 0.00 178.31 177.91 3kd2 n ALA 182 N -2.44 2.92 -1.75 2.45 0.00 -0.54 -4.58 120.51 116.58 3kd2 n ALA 182 Ca -0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 3kd2 n ALA 182 Cb 0.62 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.82 3kd2 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd2 s ALA 183 N -2.93 2.70 1.21 0.00 0.00 -0.56 -4.78 121.76 117.39 3kd2 s ALA 183 Ca 0.15 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 3kd2 s ALA 183 Cb 0.18 -3.55 0.29 0.00 0.00 0.00 0.00 23.12 20.04 3kd2 s ALA 183 CO 0.60 -1.38 1.05 -0.51 0.00 0.00 0.00 175.76 175.52 3kd2 s ASP 184 N -1.12 0.81 -1.73 0.00 1.01 -1.26 -4.11 116.67 110.26 3kd2 s ASP 184 Ca 0.74 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3kd2 s ASP 184 Cb -0.38 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.15 3kd2 s ASP 184 CO 0.44 -4.22 0.00 0.47 0.21 0.00 0.00 175.17 172.07 3kd2 n ASP 185 N -4.87 -4.97 -3.97 0.27 8.00 -1.26 -2.31 116.55 107.43 3kd2 n ASP 185 Ca 0.09 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.70 3kd2 n ASP 185 Cb 0.58 -3.92 -0.00 0.00 -0.02 0.00 0.00 41.12 37.76 3kd2 n ASP 185 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kd2 n ARG 186 N -2.53 -4.09 0.06 -1.24 1.74 -1.26 -4.87 116.66 104.48 3kd2 n ARG 186 Ca -0.17 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 3kd2 n ARG 186 Cb 0.54 -5.01 -0.05 0.00 -1.02 0.00 0.00 32.46 26.92 3kd2 n ARG 186 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kd2 h LEU 187 N -1.82 -0.77 0.02 0.55 5.85 -1.61 -1.47 115.31 116.04 3kd2 h LEU 187 Ca -0.61 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kd2 h LEU 187 Cb 1.37 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3kd2 h LEU 187 CO 0.66 -0.33 -0.01 0.00 -0.34 0.00 0.00 178.44 178.43 3kd2 h ALA 188 N 0.40 -0.02 -0.71 1.25 0.00 -1.86 -1.63 119.26 116.69 3kd2 h ALA 188 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kd2 h ALA 188 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kd2 h ALA 188 CO -0.22 -0.47 0.44 0.93 0.00 0.00 0.00 179.25 179.93 3kd2 h GLU 189 N -0.11 0.95 -0.59 0.00 3.07 -1.91 0.52 114.58 116.51 3kd2 h GLU 189 Ca -0.00 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.72 3kd2 h GLU 189 Cb 0.10 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3kd2 h GLU 189 CO 0.00 0.65 0.11 1.15 -1.40 0.00 0.00 179.01 179.53 3kd2 h THR 190 N 0.96 1.24 0.05 1.13 2.02 -1.08 0.14 112.91 117.38 3kd2 h THR 190 Ca 0.26 -0.93 -0.26 0.00 0.77 0.00 0.00 66.41 66.25 3kd2 h THR 190 Cb -0.07 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3kd2 h THR 190 CO -0.05 0.34 -1.09 -0.07 0.37 0.00 0.00 175.52 175.02 3kd2 h LEU 191 N 0.89 0.68 0.00 2.58 3.38 -1.05 -3.36 115.31 118.43 3kd2 h LEU 191 Ca 0.19 -0.60 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 3kd2 h LEU 191 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kd2 h LEU 191 CO 0.01 1.41 -1.12 0.40 0.09 0.00 0.00 178.44 179.22 3kd2 h ILE 192 N 0.25 0.63 -1.92 1.22 2.04 -0.70 -3.44 117.51 115.60 3kd2 h ILE 192 Ca -0.13 -2.08 -0.64 0.00 1.00 0.00 0.00 64.86 63.01 3kd2 h ILE 192 Cb 1.75 2.16 0.05 0.00 -0.74 0.00 0.00 36.82 40.05 3kd2 h ILE 192 CO 0.20 0.36 0.62 0.00 0.00 0.00 0.00 178.15 179.32 3kd2 n ALA 193 N -2.34 0.00 0.00 1.87 0.00 0.47 -0.21 120.51 120.30 3kd2 n ALA 193 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kd2 n ALA 193 Cb 0.81 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3kd2 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd2 n GLY 194 N 2.96 2.29 0.99 0.00 0.00 -1.26 -4.80 105.19 105.37 3kd2 n GLY 194 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3kd2 n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kd2 n LYS 195 N -2.00 0.80 -0.14 1.61 5.02 0.71 -4.88 118.16 119.28 3kd2 n LYS 195 Ca 0.00 -2.61 -0.08 0.00 -2.02 0.00 0.00 58.31 53.60 3kd2 n LYS 195 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 3kd2 n LYS 195 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kd2 h GLU 196 N 0.93 0.61 -0.46 1.97 3.07 -1.79 -0.96 114.58 117.94 3kd2 h GLU 196 Ca -0.11 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 3kd2 h GLU 196 Cb 1.43 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 3kd2 h GLU 196 CO 0.05 0.51 0.24 -0.09 -1.40 0.00 0.00 179.01 178.32 3kd2 h ARG 197 N 0.55 0.65 -0.09 2.33 9.65 -1.89 -0.05 114.38 125.52 3kd2 h ARG 197 Ca 0.15 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3kd2 h ARG 197 Cb 0.10 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3kd2 h ARG 197 CO -0.02 0.53 0.05 0.35 2.80 0.00 0.00 179.97 183.68 3kd2 h PHE 198 N 0.61 0.13 -0.43 2.20 3.57 -1.91 -2.77 116.94 118.34 3kd2 h PHE 198 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3kd2 h PHE 198 Cb 0.07 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3kd2 h PHE 198 CO -0.02 0.16 0.15 0.35 -2.23 0.00 0.00 178.31 176.72 3kd2 h PHE 199 N 0.05 0.68 -0.81 0.41 3.57 -0.95 -2.62 116.94 117.27 3kd2 h PHE 199 Ca 0.03 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3kd2 h PHE 199 Cb 0.08 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3kd2 h PHE 199 CO -0.04 0.61 0.37 1.25 -2.23 0.00 0.00 178.31 178.26 3kd2 h LEU 200 N 0.55 1.08 -0.50 0.59 5.85 -1.02 0.37 115.31 122.24 3kd2 h LEU 200 Ca 0.14 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kd2 h LEU 200 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kd2 h LEU 200 CO -0.01 0.93 0.29 -0.08 -0.34 0.00 0.00 178.44 179.23 3kd2 h GLU 201 N 1.16 0.68 -0.09 1.25 4.81 -1.37 -0.14 114.58 120.89 3kd2 h GLU 201 Ca 0.28 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3kd2 h GLU 201 Cb 0.16 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3kd2 h GLU 201 CO -0.03 0.51 0.03 1.25 -0.73 0.00 0.00 179.01 180.04 3kd2 h HIS 202 N 0.66 0.15 -0.27 0.92 2.76 -1.04 -1.46 115.15 116.87 3kd2 h HIS 202 Ca 0.18 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3kd2 h HIS 202 Cb 0.02 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3kd2 h HIS 202 CO -0.02 0.28 0.17 0.35 -1.30 0.00 0.00 177.93 177.40 3kd2 h PHE 203 N -0.03 0.31 0.20 5.26 3.04 -0.77 0.15 116.94 125.10 3kd2 h PHE 203 Ca 0.03 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3kd2 h PHE 203 Cb 0.20 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3kd2 h PHE 203 CO -0.01 0.19 -0.09 0.82 -2.02 0.00 0.00 178.31 177.20 3kd2 h ILE 204 N 0.34 0.89 -0.22 1.41 2.04 -1.02 -2.87 117.51 118.08 3kd2 h ILE 204 Ca 0.10 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3kd2 h ILE 204 Cb -0.01 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3kd2 h ILE 204 CO -0.04 0.10 -0.15 0.11 0.00 0.00 0.00 178.15 178.17 3kd2 h LYS 205 N -0.49 0.37 0.00 2.37 1.57 -1.17 -1.78 116.57 117.44 3kd2 h LYS 205 Ca -0.03 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kd2 h LYS 205 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kd2 h LYS 205 CO 0.04 0.52 -0.01 0.66 -0.57 0.00 0.00 179.45 180.09 3kd2 h SER 206 N 0.35 0.00 -0.40 0.86 4.64 -0.65 -2.15 113.55 116.19 3kd2 h SER 206 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kd2 h SER 206 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kd2 h SER 206 CO 0.03 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.41 3kd2 n HIS 207 N -3.13 1.15 -4.36 4.77 8.25 -0.69 -4.62 115.22 116.60 3kd2 n HIS 207 Ca -0.01 -0.74 -0.27 0.00 -0.26 0.00 0.00 57.72 56.45 3kd2 n HIS 207 Cb 0.23 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.95 3kd2 n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kd2 s ALA 208 N -2.32 2.75 -0.26 -1.41 0.00 -0.81 -0.98 121.76 118.72 3kd2 s ALA 208 Ca 0.43 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 3kd2 s ALA 208 Cb 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 3kd2 s ALA 208 CO 0.14 0.44 -0.33 0.45 0.00 0.00 0.00 175.76 176.47 3kd2 n SER 209 N 0.13 1.86 -4.24 0.00 2.88 -1.12 -4.62 113.62 108.51 3kd2 n SER 209 Ca -0.11 0.28 -0.44 0.00 -1.33 0.00 0.00 58.87 57.26 3kd2 n SER 209 Cb 0.56 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 3kd2 n SER 209 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kd2 n ASN 210 N -4.08 5.54 0.28 -3.46 3.02 -1.26 -4.84 115.26 110.45 3kd2 n ASN 210 Ca -0.51 -3.10 0.15 0.00 -0.03 0.00 0.00 54.58 51.09 3kd2 n ASN 210 Cb 0.87 -1.43 0.77 0.00 -0.61 0.00 0.00 39.78 39.39 3kd2 n ASN 210 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3kd2 h THR 211 N 3.92 0.34 0.00 3.41 1.35 -1.91 -3.21 112.91 116.81 3kd2 h THR 211 Ca 0.26 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3kd2 h THR 211 Cb 0.78 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3kd2 h THR 211 CO 1.24 0.08 -0.01 1.05 -0.25 0.00 0.00 175.52 177.63 3kd2 h GLU 212 N 0.00 0.00 0.00 4.72 9.09 -2.00 -1.44 114.58 124.95 3kd2 h GLU 212 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kd2 h GLU 212 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3kd2 h GLU 212 CO 0.01 0.01 0.00 1.33 0.05 0.00 0.00 179.01 180.41 3kd2 n VAL 213 N -3.27 0.69 -2.82 -1.06 0.24 -1.21 -4.15 118.33 106.75 3kd2 n VAL 213 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.84 3kd2 n VAL 213 Cb 0.12 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 3kd2 n VAL 213 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kd2 n PHE 214 N -2.17 3.70 -1.07 6.34 3.72 -0.54 -4.96 117.46 122.48 3kd2 n PHE 214 Ca 0.04 -3.08 -0.33 0.00 -0.05 0.00 0.00 57.45 54.03 3kd2 n PHE 214 Cb 0.32 -1.81 0.13 0.00 -0.94 0.00 0.00 39.48 37.18 3kd2 n PHE 214 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kd2 s SER 215 N 0.82 3.51 0.39 4.37 1.04 -1.26 -4.77 113.70 117.80 3kd2 s SER 215 Ca 0.37 2.35 0.09 0.00 0.48 0.00 0.00 55.95 59.24 3kd2 s SER 215 Cb 0.02 -2.59 0.86 0.00 0.10 0.00 0.00 66.02 64.42 3kd2 s SER 215 CO 0.01 -2.72 1.95 -0.33 0.98 0.00 0.00 173.24 173.13 3kd2 h GLU 216 N -1.01 0.60 -0.18 4.02 4.39 -1.96 -0.94 114.58 119.50 3kd2 h GLU 216 Ca -0.46 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 3kd2 h GLU 216 Cb 1.29 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3kd2 h GLU 216 CO 0.46 0.39 0.07 -0.09 -1.16 0.00 0.00 179.01 178.68 3kd2 h ARG 217 N 0.61 0.26 -0.53 2.33 2.43 -1.99 0.03 114.38 117.52 3kd2 h ARG 217 Ca 0.32 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3kd2 h ARG 217 Cb 0.45 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3kd2 h ARG 217 CO -0.11 0.33 0.04 1.25 -1.51 0.00 0.00 179.97 179.96 3kd2 h LEU 218 N 0.14 0.89 -1.04 3.80 5.85 -1.76 -2.65 115.31 120.53 3kd2 h LEU 218 Ca 0.06 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3kd2 h LEU 218 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3kd2 h LEU 218 CO -0.01 0.96 0.29 -0.07 -0.34 0.00 0.00 178.44 179.27 3kd2 h LEU 219 N 0.80 0.89 -0.50 2.25 3.38 -1.08 -2.36 115.31 118.69 3kd2 h LEU 219 Ca 0.16 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3kd2 h LEU 219 Cb 0.48 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3kd2 h LEU 219 CO 0.02 0.78 0.25 0.44 0.09 0.00 0.00 178.44 180.02 3kd2 h ASP 220 N 0.97 0.36 0.16 -0.43 3.32 -0.74 -0.15 116.42 119.91 3kd2 h ASP 220 Ca 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3kd2 h ASP 220 Cb 0.15 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kd2 h ASP 220 CO -0.02 0.25 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.60 3kd2 h LEU 221 N 0.49 -0.18 -0.47 1.55 3.38 -1.11 -1.36 115.31 117.62 3kd2 h LEU 221 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3kd2 h LEU 221 Cb 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kd2 h LEU 221 CO -0.15 -0.12 0.15 1.88 0.09 0.00 0.00 178.44 180.28 3kd2 h TYR 222 N -0.22 0.75 -0.60 1.13 0.05 -1.31 -2.99 116.97 113.78 3kd2 h TYR 222 Ca -0.02 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 3kd2 h TYR 222 Cb 0.17 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 3kd2 h TYR 222 CO -0.07 0.67 0.29 0.00 -1.05 0.00 0.00 178.16 178.01 3kd2 h ALA 223 N 1.00 0.77 -0.99 3.88 0.00 -0.96 -2.52 119.26 120.44 3kd2 h ALA 223 Ca 0.15 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3kd2 h ALA 223 Cb 0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3kd2 h ALA 223 CO -0.00 0.33 0.62 -0.09 0.00 0.00 0.00 179.25 180.10 3kd2 h ARG 224 N 0.82 0.96 0.09 0.00 2.43 -1.16 -0.97 114.38 116.55 3kd2 h ARG 224 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kd2 h ARG 224 Cb 0.11 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3kd2 h ARG 224 CO -0.03 0.63 -0.04 1.03 -1.51 0.00 0.00 179.97 180.05 3kd2 h SER 225 N 0.99 -0.10 0.55 -3.80 0.87 -1.32 -3.27 113.55 107.46 3kd2 h SER 225 Ca 0.49 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kd2 h SER 225 Cb 0.46 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3kd2 h SER 225 CO -0.26 0.42 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 3kd2 n TYR 226 N -4.90 0.00 0.78 2.24 -0.00 -0.99 -2.67 117.16 111.62 3kd2 n TYR 226 Ca -0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.95 3kd2 n TYR 226 Cb 0.27 -0.29 0.46 0.00 -0.00 0.00 0.00 39.34 39.78 3kd2 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kd2 n ALA 227 N -1.29 2.40 -1.68 -3.48 0.00 -0.38 -2.34 120.51 113.74 3kd2 n ALA 227 Ca 0.14 -0.08 -0.46 0.00 0.00 0.00 0.00 53.44 53.04 3kd2 n ALA 227 Cb 0.23 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3kd2 n ALA 227 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kd2 n LYS 228 N -1.93 2.40 -0.28 0.00 5.02 -1.09 -4.79 118.16 117.50 3kd2 n LYS 228 Ca 0.06 0.88 0.08 0.00 -2.02 0.00 0.00 58.31 57.31 3kd2 n LYS 228 Cb 0.39 -2.73 0.21 0.00 -0.02 0.00 0.00 35.03 32.88 3kd2 n LYS 228 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kd2 h PRO 229 N 8.45 0.12 0.00 1.97 0.11 -1.92 0.38 132.00 141.11 3kd2 h PRO 229 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3kd2 h PRO 229 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kd2 h PRO 229 CO 0.93 0.08 -0.24 1.12 -0.21 0.00 0.00 178.00 179.68 3kd2 h HIS 230 N 0.13 0.00 0.15 0.65 2.07 -1.93 -2.16 115.15 114.06 3kd2 h HIS 230 Ca 0.47 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.70 3kd2 h HIS 230 Cb 0.88 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.89 3kd2 h HIS 230 CO -0.39 0.24 -1.21 0.77 -3.07 0.00 0.00 177.93 174.27 3kd2 h SER 231 N 0.00 0.80 -0.32 3.10 0.02 -0.46 -0.90 113.55 115.79 3kd2 h SER 231 Ca -0.00 -0.86 0.02 0.00 -0.84 0.00 0.00 61.79 60.11 3kd2 h SER 231 Cb 0.58 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3kd2 h SER 231 CO 0.03 1.59 0.15 0.25 -1.14 0.00 0.00 176.83 177.71 3kd2 h LEU 232 N 0.14 0.22 -0.19 5.07 5.85 -0.62 0.87 115.31 126.63 3kd2 h LEU 232 Ca -0.19 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3kd2 h LEU 232 Cb 1.91 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 3kd2 h LEU 232 CO 0.23 0.16 0.09 -1.13 -0.34 0.00 0.00 178.44 177.45 3kd2 h ASN 233 N 0.32 0.26 -0.74 1.25 -0.73 -1.45 -2.98 115.58 111.50 3kd2 h ASN 233 Ca 0.13 -0.13 0.07 0.00 1.87 0.00 0.00 56.30 58.24 3kd2 h ASN 233 Cb 0.06 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.52 3kd2 h ASN 233 CO -0.10 0.32 0.43 0.00 -0.37 0.00 0.00 177.43 177.71 3kd2 h ALA 234 N 0.95 1.01 -0.76 1.57 0.00 -0.89 -2.07 119.26 119.07 3kd2 h ALA 234 Ca 0.07 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.16 3kd2 h ALA 234 Cb 0.13 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 3kd2 h ALA 234 CO -0.01 0.11 0.18 0.77 0.00 0.00 0.00 179.25 180.31 3kd2 h SER 235 N 0.77 -0.00 1.52 0.00 0.02 -0.67 -2.14 113.55 113.05 3kd2 h SER 235 Ca 0.33 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3kd2 h SER 235 Cb 0.21 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3kd2 h SER 235 CO -0.19 -0.06 -0.46 -0.26 -1.14 0.00 0.00 176.83 174.72 3kd2 h PHE 236 N 0.26 0.00 -0.01 3.45 0.04 -1.36 -3.25 116.94 116.06 3kd2 h PHE 236 Ca 0.44 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.16 3kd2 h PHE 236 Cb 0.77 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3kd2 h PHE 236 CO -0.27 0.00 -0.25 0.93 -0.60 0.00 0.00 178.31 178.12 3kd2 h GLU 237 N 0.00 0.02 -0.70 1.51 4.39 -0.83 -1.54 114.58 117.42 3kd2 h GLU 237 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kd2 h GLU 237 Cb 0.99 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 3kd2 h GLU 237 CO 0.00 0.27 0.45 1.88 -1.16 0.00 0.00 179.01 180.45 3kd2 h TYR 238 N 0.01 0.90 0.01 4.33 0.05 -1.58 -1.37 116.97 119.33 3kd2 h TYR 238 Ca 0.00 0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.59 3kd2 h TYR 238 Cb 0.45 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3kd2 h TYR 238 CO 0.00 0.58 -0.97 1.88 -1.05 0.00 0.00 178.16 178.60 3kd2 h TYR 239 N 0.96 0.06 0.00 4.88 0.05 -1.54 -2.78 116.97 118.60 3kd2 h TYR 239 Ca 0.26 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3kd2 h TYR 239 Cb -0.08 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3kd2 h TYR 239 CO 0.00 0.98 0.00 0.00 -1.05 0.00 0.00 178.16 178.09 3kd2 h ARG 240 N 0.01 0.00 -0.04 4.88 3.08 -0.78 -2.16 114.38 119.38 3kd2 h ARG 240 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kd2 h ARG 240 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 3kd2 h ARG 240 CO 0.13 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3kd2 n ALA 241 N -2.05 2.46 -0.15 0.04 0.00 -0.56 -4.62 120.51 115.64 3kd2 n ALA 241 Ca 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 3kd2 n ALA 241 Cb 0.30 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 18.98 3kd2 n ALA 241 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kd2 h LEU 242 N 4.68 0.30 -1.14 0.00 5.85 -1.11 0.00 115.31 123.89 3kd2 h LEU 242 Ca 0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3kd2 h LEU 242 Cb 0.99 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3kd2 h LEU 242 CO 0.00 0.21 -0.10 0.78 -0.34 0.00 0.00 178.44 178.99 3kd2 h ASN 243 N 0.44 0.46 -0.55 1.25 -0.26 -1.82 0.18 115.58 115.27 3kd2 h ASN 243 Ca 0.21 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 3kd2 h ASN 243 Cb 0.14 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 3kd2 h ASN 243 CO -0.16 0.60 0.17 -0.08 -1.06 0.00 0.00 177.43 176.90 3kd2 h GLU 244 N 0.44 0.86 -0.92 0.81 4.81 -1.64 -1.97 114.58 116.97 3kd2 h GLU 244 Ca 0.09 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3kd2 h GLU 244 Cb 0.45 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3kd2 h GLU 244 CO 0.03 0.79 0.58 0.77 -0.73 0.00 0.00 179.01 180.45 3kd2 h SER 245 N 0.77 1.09 -0.32 1.04 0.02 -0.20 -0.13 113.55 115.82 3kd2 h SER 245 Ca 0.18 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3kd2 h SER 245 Cb 0.29 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3kd2 h SER 245 CO -0.01 0.81 0.14 0.58 -1.14 0.00 0.00 176.83 177.22 3kd2 h VAL 246 N 1.26 0.96 -0.78 2.27 2.07 -0.74 -0.34 116.25 120.96 3kd2 h VAL 246 Ca 0.33 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 3kd2 h VAL 246 Cb -0.10 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3kd2 h VAL 246 CO -0.07 0.06 0.32 0.03 0.02 0.00 0.00 177.57 177.93 3kd2 h ARG 247 N 0.31 1.16 -0.17 1.57 3.08 -0.77 -1.78 114.38 117.77 3kd2 h ARG 247 Ca 0.14 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kd2 h ARG 247 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3kd2 h ARG 247 CO -0.11 0.93 0.09 1.96 -1.07 0.00 0.00 179.97 181.77 3kd2 h GLN 248 N 1.13 0.24 0.00 0.04 4.20 -0.69 -3.07 115.11 116.96 3kd2 h GLN 248 Ca 0.26 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 3kd2 h GLN 248 Cb 0.20 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3kd2 h GLN 248 CO -0.02 0.27 -0.18 -0.91 -0.67 0.00 0.00 178.83 177.31 3kd2 h ASN 249 N 0.16 0.00 -0.72 1.46 2.35 -0.76 -2.34 115.58 115.73 3kd2 h ASN 249 Ca 0.06 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3kd2 h ASN 249 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3kd2 h ASN 249 CO -0.01 0.18 0.47 0.00 -1.65 0.00 0.00 177.43 176.43 3kd2 h ALA 250 N 1.82 1.59 0.10 -0.83 0.00 -1.23 -0.34 119.26 120.37 3kd2 h ALA 250 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3kd2 h ALA 250 Cb 0.51 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kd2 h ALA 250 CO 0.02 0.33 -0.68 1.49 0.00 0.00 0.00 179.25 180.41 3kd2 h GLU 251 N 0.86 0.22 -0.52 0.00 4.57 -1.52 -3.37 114.58 114.82 3kd2 h GLU 251 Ca 0.29 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3kd2 h GLU 251 Cb 0.07 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3kd2 h GLU 251 CO -0.08 1.18 0.21 -0.07 -1.18 0.00 0.00 179.01 179.07 3kd2 h LEU 252 N -0.53 0.68 0.00 1.64 3.38 -1.24 -2.92 115.31 116.33 3kd2 h LEU 252 Ca -0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kd2 h LEU 252 Cb 1.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3kd2 h LEU 252 CO 0.10 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3kd2 n ALA 253 N -2.46 2.28 0.50 1.53 0.00 -0.16 -2.62 120.51 119.59 3kd2 n ALA 253 Ca 0.04 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3kd2 n ALA 253 Cb 0.15 -1.23 0.34 0.00 0.00 0.00 0.00 19.45 18.71 3kd2 n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kd2 n LYS 254 N -0.82 0.03 -4.55 0.00 5.02 -1.10 -4.45 118.16 112.28 3kd2 n LYS 254 Ca 0.11 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 3kd2 n LYS 254 Cb 0.05 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 3kd2 n LYS 254 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kd2 s THR 255 N -3.04 2.00 0.48 -0.18 2.01 -1.08 -5.13 115.64 110.71 3kd2 s THR 255 Ca 0.07 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 3kd2 s THR 255 Cb 0.10 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 3kd2 s THR 255 CO 0.29 0.54 0.87 -0.13 -0.69 0.00 0.00 174.62 175.49 3kd2 s ARG 256 N 0.92 3.75 0.14 4.92 0.52 -1.26 -5.02 118.95 122.91 3kd2 s ARG 256 Ca -0.05 0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 3kd2 s ARG 256 Cb -0.15 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.97 3kd2 s ARG 256 CO -0.04 -0.21 1.11 -0.51 0.02 0.00 0.00 175.30 175.68 3kd2 s LEU 257 N -4.27 4.45 -0.01 2.53 1.43 0.47 -4.93 118.68 118.36 3kd2 s LEU 257 Ca 0.53 2.04 0.14 0.00 -1.03 0.00 0.00 54.13 55.81 3kd2 s LEU 257 Cb -0.10 -3.60 -0.17 0.00 0.03 0.00 0.00 46.19 42.35 3kd2 s LEU 257 CO 0.37 -0.28 0.49 0.00 0.23 0.00 0.00 176.35 177.16 3kd2 n GLN 258 N 2.83 1.90 -2.60 1.70 1.13 -1.26 -1.54 117.38 119.54 3kd2 n GLN 258 Ca 0.04 -0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 3kd2 n GLN 258 Cb 0.47 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.60 3kd2 n GLN 258 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kd2 s MET 259 N -2.48 3.74 0.20 -1.09 0.23 -1.26 -4.76 119.30 113.88 3kd2 s MET 259 Ca 0.02 0.54 -0.32 0.00 -1.03 0.00 0.00 55.69 54.89 3kd2 s MET 259 Cb 0.10 -2.30 -0.13 0.00 -1.53 0.00 0.00 34.83 30.97 3kd2 s MET 259 CO 0.56 -0.18 1.65 -2.30 -2.03 0.00 0.00 175.02 172.72 3kd2 n PRO 260 N -1.73 2.53 -4.13 3.16 -0.02 -1.26 -4.56 135.00 129.00 3kd2 n PRO 260 Ca 0.03 0.91 -0.16 0.00 -2.02 0.00 0.00 63.50 62.26 3kd2 n PRO 260 Cb 0.54 -2.72 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 3kd2 n PRO 260 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kd2 s THR 261 N 0.89 0.87 -0.02 3.45 -4.23 0.18 -1.69 115.64 115.08 3kd2 s THR 261 Ca 0.75 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 3kd2 s THR 261 Cb -0.57 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 3kd2 s THR 261 CO 0.37 -0.29 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.73 3kd2 s MET 262 N -1.65 1.09 -0.00 3.99 1.75 0.11 -1.11 119.30 123.47 3kd2 s MET 262 Ca -0.05 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.03 3kd2 s MET 262 Cb -0.10 -1.01 -0.03 0.00 2.84 0.00 0.00 34.83 36.53 3kd2 s MET 262 CO 0.01 0.18 -0.08 0.95 -0.65 0.00 0.00 175.02 175.43 3kd2 s THR 263 N 0.01 3.53 0.03 10.11 -4.23 0.20 -1.29 115.64 124.00 3kd2 s THR 263 Ca -0.01 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 3kd2 s THR 263 Cb -0.08 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3kd2 s THR 263 CO 0.00 0.41 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.53 3kd2 s LEU 264 N -1.34 2.14 0.00 4.79 1.43 -0.41 -1.38 118.68 123.92 3kd2 s LEU 264 Ca 0.16 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 3kd2 s LEU 264 Cb -0.11 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.15 3kd2 s LEU 264 CO 0.06 0.17 0.26 0.00 0.23 0.00 0.00 176.35 177.08 3kd2 s ALA 265 N -0.74 -0.63 0.20 4.21 0.00 -0.46 -2.13 121.76 122.22 3kd2 s ALA 265 Ca 0.07 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 3kd2 s ALA 265 Cb -0.09 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 3kd2 s ALA 265 CO 0.01 -0.29 0.90 0.20 0.00 0.00 0.00 175.76 176.59 3kd2 s GLY 266 N -1.54 3.06 0.00 0.00 0.00 -1.24 -0.38 107.32 107.21 3kd2 s GLY 266 Ca -0.11 0.55 0.23 0.00 0.00 0.00 0.00 44.72 45.39 3kd2 s GLY 266 CO 0.02 1.16 1.17 0.61 0.00 0.00 0.00 173.10 176.05 3kd2 n GLY 267 N 1.63 -0.72 1.14 0.20 0.00 0.68 -1.69 105.19 106.42 3kd2 n GLY 267 Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 3kd2 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd2 n GLY 268 N 1.45 0.67 3.64 -0.02 0.00 0.87 -4.70 105.19 107.11 3kd2 n GLY 268 Ca 0.07 -1.97 -0.50 0.00 0.00 0.00 0.00 46.02 43.62 3kd2 n GLY 268 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kd2 n HIS 269 N -1.84 1.95 -0.42 1.61 -0.00 -1.26 -1.92 115.22 113.34 3kd2 n HIS 269 Ca 0.05 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 3kd2 n HIS 269 Cb 0.17 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 27.70 3kd2 n HIS 269 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kd2 n GLY 270 N 3.26 0.91 3.96 1.57 0.00 -1.26 -2.80 105.19 110.83 3kd2 n GLY 270 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3kd2 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd2 s GLY 271 N -1.61 1.64 0.32 -0.02 0.00 -0.81 -3.43 107.32 103.42 3kd2 s GLY 271 Ca 0.00 -1.15 0.24 0.00 0.00 0.00 0.00 44.72 43.81 3kd2 s GLY 271 CO 0.00 -0.96 1.60 -0.33 0.00 0.00 0.00 173.10 173.41 3kd2 h MET 272 N 0.34 0.00 0.00 2.90 2.07 -1.86 -3.47 114.93 114.91 3kd2 h MET 272 Ca -0.45 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.18 3kd2 h MET 272 Cb 1.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.99 3kd2 h MET 272 CO 0.56 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.95 3kd2 n GLY 273 N 1.19 3.01 0.06 8.32 0.00 -0.68 -2.58 105.19 114.51 3kd2 n GLY 273 Ca 0.04 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3kd2 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kd2 n THR 274 N 0.00 0.82 -0.21 2.61 -2.24 -1.26 -3.42 114.28 110.58 3kd2 n THR 274 Ca 0.00 0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 3kd2 n THR 274 Cb 0.00 -0.99 0.06 0.00 -2.10 0.00 0.00 70.33 67.30 3kd2 n THR 274 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3kd2 h PHE 275 N 0.00 0.70 -0.05 4.78 3.04 -1.92 -2.45 116.94 121.03 3kd2 h PHE 275 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 3kd2 h PHE 275 Cb 0.36 -0.23 -0.06 0.00 2.56 0.00 0.00 35.95 38.58 3kd2 h PHE 275 CO 0.00 0.40 -0.34 0.37 -2.02 0.00 0.00 178.31 176.72 3kd2 h GLN 276 N 0.74 -0.44 -0.38 1.11 5.75 -1.74 -0.08 115.11 120.07 3kd2 h GLN 276 Ca 0.25 0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.69 3kd2 h GLN 276 Cb 0.03 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3kd2 h GLN 276 CO -0.11 -0.30 -0.10 1.25 -2.65 0.00 0.00 178.83 176.93 3kd2 h LEU 277 N -0.46 0.74 -0.95 -2.39 5.85 -1.80 -2.45 115.31 113.85 3kd2 h LEU 277 Ca 0.07 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3kd2 h LEU 277 Cb 0.57 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3kd2 h LEU 277 CO -0.31 0.94 0.55 -0.33 -0.34 0.00 0.00 178.44 178.95 3kd2 h GLU 278 N 0.54 1.27 -0.37 1.25 4.39 -0.99 -0.99 114.58 119.68 3kd2 h GLU 278 Ca 0.09 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3kd2 h GLU 278 Cb 0.62 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3kd2 h GLU 278 CO 0.04 0.90 -0.21 0.37 -1.16 0.00 0.00 179.01 178.95 3kd2 h GLN 279 N 1.29 0.80 -0.10 2.33 4.15 -1.02 -3.22 115.11 119.34 3kd2 h GLN 279 Ca 0.33 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 3kd2 h GLN 279 Cb -0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3kd2 h GLN 279 CO -0.06 0.99 -0.10 1.98 -1.93 0.00 0.00 178.83 179.72 3kd2 h MET 280 N 0.60 0.16 -0.15 1.69 4.05 -0.87 -1.21 114.93 119.19 3kd2 h MET 280 Ca 0.08 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.51 3kd2 h MET 280 Cb 0.77 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3kd2 h MET 280 CO 0.06 0.27 0.13 0.87 0.23 0.00 0.00 176.91 178.47 3kd2 h LYS 281 N 0.15 0.00 0.00 0.39 1.57 -1.21 0.26 116.57 117.73 3kd2 h LYS 281 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kd2 h LYS 281 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kd2 h LYS 281 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3kd2 n ALA 282 N -2.46 2.17 -0.01 3.86 0.00 -0.46 -3.94 120.51 119.67 3kd2 n ALA 282 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3kd2 n ALA 282 Cb 0.25 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 3kd2 n ALA 282 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kd2 n TYR 283 N -1.94 0.00 -4.40 0.00 4.02 0.71 -4.98 117.16 110.57 3kd2 n TYR 283 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 3kd2 n TYR 283 Cb 0.35 -0.24 -0.14 0.00 -0.02 0.00 0.00 39.34 39.29 3kd2 n TYR 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kd2 s ALA 284 N -2.44 0.89 0.10 -0.72 0.00 0.02 -0.39 121.76 119.21 3kd2 s ALA 284 Ca -0.03 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.45 3kd2 s ALA 284 Cb 0.04 -0.20 -0.23 0.00 0.00 0.00 0.00 23.12 22.74 3kd2 s ALA 284 CO 0.33 0.20 1.21 0.93 0.00 0.00 0.00 175.76 178.42 3kd2 h GLU 285 N 5.66 0.07 -3.14 0.00 4.39 -1.59 -3.42 114.58 116.54 3kd2 h GLU 285 Ca -0.33 -0.11 -0.62 0.00 0.34 0.00 0.00 59.36 58.63 3kd2 h GLU 285 Cb 1.18 0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 29.46 3kd2 h GLU 285 CO 0.48 1.03 -0.67 0.34 -1.16 0.00 0.00 179.01 179.03 3kd2 s ASP 286 N -6.79 4.04 -0.03 1.42 -1.08 -1.26 -5.09 116.67 107.89 3kd2 s ASP 286 Ca -0.01 -3.05 0.02 0.00 -0.52 0.00 0.00 52.55 49.00 3kd2 s ASP 286 Cb 0.09 -1.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.18 3kd2 s ASP 286 CO 0.84 -0.21 -0.09 0.54 0.52 0.00 0.00 175.17 176.76 3kd2 s VAL 287 N -0.28 0.80 -0.09 1.11 0.11 -1.26 -0.65 120.40 120.15 3kd2 s VAL 287 Ca 0.19 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.92 3kd2 s VAL 287 Cb -0.20 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3kd2 s VAL 287 CO -0.04 0.25 -0.22 -0.70 -3.33 0.00 0.00 175.10 171.06 3kd2 s GLU 288 N 0.21 2.94 0.05 1.54 2.12 -0.27 -5.00 118.70 120.29 3kd2 s GLU 288 Ca -0.03 -0.85 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3kd2 s GLU 288 Cb -0.09 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 3kd2 s GLU 288 CO 0.01 0.26 -0.22 0.20 -0.54 0.00 0.00 175.26 174.97 3kd2 s GLY 289 N 0.16 1.19 -0.02 -1.50 0.00 -1.26 -0.63 107.32 105.26 3kd2 s GLY 289 Ca -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3kd2 s GLY 289 CO 0.07 -1.05 -0.03 0.30 0.00 0.00 0.00 173.10 172.39 3kd2 s HIS 290 N -0.84 0.36 -0.21 1.90 3.76 -0.48 -4.96 115.29 114.83 3kd2 s HIS 290 Ca 0.08 -0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.90 3kd2 s HIS 290 Cb -0.09 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 3kd2 s HIS 290 CO 0.02 -0.06 -0.04 0.08 -0.85 0.00 0.00 174.74 173.89 3kd2 s VAL 291 N 0.37 3.51 -0.35 -0.90 1.01 -1.26 -1.35 120.40 121.43 3kd2 s VAL 291 Ca -0.04 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 3kd2 s VAL 291 Cb -0.07 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 3kd2 s VAL 291 CO -0.01 0.43 0.51 -0.76 0.00 0.00 0.00 175.10 175.28 3kd2 s LEU 292 N 1.30 4.36 0.47 3.92 1.02 0.49 -4.77 118.68 125.46 3kd2 s LEU 292 Ca 0.04 -0.04 -0.23 0.00 0.02 0.00 0.00 54.13 53.92 3kd2 s LEU 292 Cb -0.14 -2.58 -0.07 0.00 0.02 0.00 0.00 46.19 43.41 3kd2 s LEU 292 CO -0.01 -0.48 1.22 -2.16 0.02 0.00 0.00 176.35 174.94 3kd2 s PRO 293 N 2.39 3.66 -0.53 1.29 0.04 -1.26 -0.23 135.00 140.36 3kd2 s PRO 293 Ca 0.19 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3kd2 s PRO 293 Cb -0.15 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3kd2 s PRO 293 CO 0.13 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.91 3kd2 n GLY 294 N 0.54 0.73 3.09 0.56 0.00 -1.26 -4.85 105.19 104.00 3kd2 n GLY 294 Ca 0.07 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3kd2 n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd2 n GLY 296 N 2.84 1.02 0.15 0.00 0.00 -1.25 -0.09 105.19 107.85 3kd2 n GLY 296 Ca -0.15 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3kd2 n GLY 296 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kd2 h HIS 297 N 0.00 0.42 -2.02 1.61 2.76 -1.08 -3.30 115.15 113.55 3kd2 h HIS 297 Ca 0.00 -0.21 -0.78 0.00 -2.20 0.00 0.00 60.37 57.18 3kd2 h HIS 297 Cb 0.00 -0.06 -0.21 0.00 1.55 0.00 0.00 27.41 28.69 3kd2 h HIS 297 CO 0.00 0.98 1.50 0.91 -1.30 0.00 0.00 177.93 180.01 3kd2 n TRP 298 N -3.76 2.59 -0.11 5.26 7.02 -1.26 -4.86 117.44 122.31 3kd2 n TRP 298 Ca -0.04 -2.67 -0.05 0.00 -1.02 0.00 0.00 57.50 53.72 3kd2 n TRP 298 Cb 0.75 -1.55 0.03 0.00 -2.42 0.00 0.00 31.31 28.11 3kd2 n TRP 298 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3kd2 h LEU 299 N 5.95 -0.13 -2.02 -0.99 3.38 -1.95 0.13 115.31 119.68 3kd2 h LEU 299 Ca 0.41 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.58 3kd2 h LEU 299 Cb 0.51 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3kd2 h LEU 299 CO 1.42 -0.03 0.29 -0.65 0.09 0.00 0.00 178.44 179.57 3kd2 h PRO 300 N 0.12 0.00 0.00 1.13 0.11 -1.87 -0.65 132.00 130.84 3kd2 h PRO 300 Ca 0.19 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.95 3kd2 h PRO 300 Cb 0.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.31 3kd2 h PRO 300 CO -0.30 0.00 -2.29 0.39 -0.21 0.00 0.00 178.00 175.58 3kd2 n GLU 301 N -4.32 0.55 -0.05 1.05 1.02 -0.86 -3.73 120.64 114.31 3kd2 n GLU 301 Ca 0.06 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 3kd2 n GLU 301 Cb 0.48 -1.43 0.09 0.00 -0.02 0.00 0.00 31.44 30.56 3kd2 n GLU 301 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kd2 h GLU 302 N -0.14 0.67 -1.60 3.49 5.08 -0.72 -3.37 114.58 117.99 3kd2 h GLU 302 Ca -0.52 -0.31 -0.43 0.00 -1.00 0.00 0.00 59.36 57.10 3kd2 h GLU 302 Cb 1.74 -0.01 -0.38 0.00 0.50 0.00 0.00 28.75 30.60 3kd2 h GLU 302 CO -0.13 0.91 -1.14 0.00 -1.00 0.00 0.00 179.01 177.65 3kd2 h ALA 304 N 2.98 0.57 0.74 0.00 0.00 -1.64 -1.50 119.26 120.41 3kd2 h ALA 304 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kd2 h ALA 304 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kd2 h ALA 304 CO 0.47 -0.11 -0.38 0.00 0.00 0.00 0.00 179.25 179.23 3kd2 h ALA 305 N 1.23 -1.04 -0.58 0.00 0.00 -1.91 0.81 119.26 117.76 3kd2 h ALA 305 Ca 0.19 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kd2 h ALA 305 Cb 0.08 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kd2 h ALA 305 CO -0.12 -1.09 -0.04 -1.35 0.00 0.00 0.00 179.25 176.65 3kd2 h PRO 306 N -1.03 1.03 -0.00 0.00 0.11 -1.97 -2.34 132.00 127.80 3kd2 h PRO 306 Ca -0.10 -0.34 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kd2 h PRO 306 Cb 0.80 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3kd2 h PRO 306 CO 0.15 1.03 0.00 1.98 -0.21 0.00 0.00 178.00 180.95 3kd2 h MET 307 N 0.94 0.01 -0.72 1.05 4.05 -1.22 -1.89 114.93 117.13 3kd2 h MET 307 Ca 0.16 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 3kd2 h MET 307 Cb 0.59 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.33 3kd2 h MET 307 CO 0.04 0.24 0.40 -0.91 0.23 0.00 0.00 176.91 176.91 3kd2 h ASN 308 N -0.23 0.58 -0.18 1.39 -0.26 -0.83 -1.68 115.58 114.37 3kd2 h ASN 308 Ca 0.00 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3kd2 h ASN 308 Cb 0.24 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3kd2 h ASN 308 CO 0.00 0.36 0.10 -0.09 -1.06 0.00 0.00 177.43 176.73 3kd2 h ARG 309 N 0.71 0.25 -0.66 0.81 9.65 -1.30 0.21 114.38 124.06 3kd2 h ARG 309 Ca 0.33 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 3kd2 h ARG 309 Cb 0.25 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 3kd2 h ARG 309 CO -0.21 0.25 0.39 -0.07 2.80 0.00 0.00 179.97 183.13 3kd2 h LEU 310 N 0.18 0.63 -0.13 3.80 3.38 -0.98 -0.06 115.31 122.12 3kd2 h LEU 310 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kd2 h LEU 310 Cb 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kd2 h LEU 310 CO -0.01 0.43 -0.07 0.58 0.09 0.00 0.00 178.44 179.46 3kd2 h VAL 311 N 0.76 1.32 -0.18 1.22 2.07 -1.10 -1.40 116.25 118.94 3kd2 h VAL 311 Ca 0.27 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3kd2 h VAL 311 Cb 0.07 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3kd2 h VAL 311 CO -0.13 0.32 0.12 0.40 0.02 0.00 0.00 177.57 178.30 3kd2 h ILE 312 N -0.07 1.05 -0.33 4.57 2.04 -0.82 -1.31 117.51 122.64 3kd2 h ILE 312 Ca 0.03 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kd2 h ILE 312 Cb 0.53 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3kd2 h ILE 312 CO 0.02 0.04 0.21 0.44 0.00 0.00 0.00 178.15 178.86 3kd2 h ASP 313 N 0.25 0.35 -0.60 1.72 3.32 -1.03 -0.86 116.42 119.56 3kd2 h ASP 313 Ca 0.07 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3kd2 h ASP 313 Cb -0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kd2 h ASP 313 CO -0.01 0.25 0.16 0.15 -1.72 0.00 0.00 179.24 178.07 3kd2 h PHE 314 N 0.42 1.00 0.00 4.55 3.57 -1.03 -2.68 116.94 122.77 3kd2 h PHE 314 Ca 0.13 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3kd2 h PHE 314 Cb -0.02 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3kd2 h PHE 314 CO -0.06 0.83 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.22 3kd2 h LEU 315 N 0.87 0.00 0.00 0.59 3.38 -1.17 -3.21 115.31 115.78 3kd2 h LEU 315 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kd2 h LEU 315 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kd2 h LEU 315 CO -0.00 0.56 0.00 -1.20 0.09 0.00 0.00 178.44 177.88 3kd2 n SER 316 N -3.62 0.00 0.00 -0.43 7.64 -0.34 -5.09 113.62 111.78 3kd2 n SER 316 Ca -0.00 0.12 0.03 0.00 1.01 0.00 0.00 58.87 60.02 3kd2 n SER 316 Cb 0.61 -0.37 0.15 0.00 -1.01 0.00 0.00 64.21 63.59 3kd2 n SER 316 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57