#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 1.57 0.30 0.00 0.41 -1.26 -5.02 118.70 114.70 3kd2 s GLU 26 Ca 0.00 -1.14 0.13 0.00 -0.41 0.00 0.00 54.97 53.55 3kd2 s GLU 26 Cb 0.00 -1.82 0.44 0.00 -1.78 0.00 0.00 34.13 30.97 3kd2 s GLU 26 CO 0.00 0.46 1.64 0.93 -0.49 0.00 0.00 175.26 177.79 3kd2 h GLU 27 N 4.53 0.00 -4.24 1.61 5.08 -2.00 -3.45 114.58 116.11 3kd2 h GLU 27 Ca -0.47 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.66 3kd2 h GLU 27 Cb 1.16 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 3kd2 h GLU 27 CO 0.42 0.55 -0.72 -0.06 -1.00 0.00 0.00 179.01 178.20 3kd2 s PHE 28 N -3.57 0.44 0.18 4.33 0.08 -1.26 -4.97 117.98 113.21 3kd2 s PHE 28 Ca -0.01 -0.46 -0.31 0.00 0.12 0.00 0.00 56.93 56.27 3kd2 s PHE 28 Cb 0.12 -0.28 -0.10 0.00 -0.57 0.00 0.00 43.02 42.19 3kd2 s PHE 28 CO 0.74 -0.12 1.58 -2.14 -0.10 0.00 0.00 175.22 175.18 3kd2 s PRO 29 N -1.35 4.20 -0.07 0.24 0.02 -1.26 -4.99 135.00 131.79 3kd2 s PRO 29 Ca -0.11 2.40 -0.21 0.00 0.02 0.00 0.00 61.00 63.10 3kd2 s PRO 29 Cb -0.09 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3kd2 s PRO 29 CO -0.00 -0.62 0.59 0.08 -0.33 0.00 0.00 177.00 176.72 3kd2 s VAL 30 N 1.05 5.07 0.59 3.83 1.01 -1.26 -5.05 120.40 125.64 3kd2 s VAL 30 Ca 0.70 1.20 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 3kd2 s VAL 30 Cb -0.45 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3kd2 s VAL 30 CO 0.32 0.32 1.30 -2.84 0.00 0.00 0.00 175.10 174.21 3kd2 s PRO 31 N 0.50 2.90 0.30 2.72 0.02 -1.26 -4.92 135.00 135.26 3kd2 s PRO 31 Ca 0.31 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 3kd2 s PRO 31 Cb -0.17 -2.05 -0.13 0.00 0.02 0.00 0.00 34.50 32.18 3kd2 s PRO 31 CO 0.15 -1.34 1.25 -1.71 -0.33 0.00 0.00 177.00 175.02 3kd2 n ASN 32 N -1.45 2.38 0.00 2.53 5.15 -1.26 -1.70 115.26 120.91 3kd2 n ASN 32 Ca 0.13 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 3kd2 n ASN 32 Cb 0.47 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 3kd2 n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kd2 n GLY 33 N 1.21 0.88 3.78 8.20 0.00 -1.26 -5.02 105.19 112.97 3kd2 n GLY 33 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.50 3.07 -0.05 1.61 0.08 -0.69 -4.56 117.98 113.94 3kd2 s PHE 34 Ca 0.00 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.04 3kd2 s PHE 34 Cb 0.00 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 3kd2 s PHE 34 CO 0.00 0.52 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.40 3kd2 s GLU 35 N -3.30 2.52 -0.25 0.44 2.12 0.08 -4.86 118.70 115.44 3kd2 s GLU 35 Ca 0.31 -0.89 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 3kd2 s GLU 35 Cb -0.09 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 3kd2 s GLU 35 CO 0.23 0.42 0.22 0.45 -0.54 0.00 0.00 175.26 176.04 3kd2 s SER 36 N -0.25 6.14 0.25 -1.70 0.15 -1.26 -0.76 113.70 116.27 3kd2 s SER 36 Ca -0.01 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.78 3kd2 s SER 36 Cb -0.13 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3kd2 s SER 36 CO 0.03 -0.02 0.34 0.00 1.20 0.00 0.00 173.24 174.79 3kd2 n ALA 37 N 4.69 -0.19 -2.92 5.45 0.00 -0.52 -5.01 120.51 122.02 3kd2 n ALA 37 Ca -0.13 -1.18 -0.11 0.00 0.00 0.00 0.00 53.44 52.02 3kd2 n ALA 37 Cb 0.52 0.95 -0.12 0.00 0.00 0.00 0.00 19.45 20.80 3kd2 n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kd2 s TYR 38 N -3.47 0.35 0.00 0.00 1.51 -1.26 -1.47 117.35 113.01 3kd2 s TYR 38 Ca 0.21 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 3kd2 s TYR 38 Cb -0.01 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 3kd2 s TYR 38 CO 0.15 -0.12 -0.04 1.03 -1.11 0.00 0.00 175.55 175.46 3kd2 s ARG 39 N -1.20 0.34 -0.00 -0.62 1.81 -0.62 -4.97 118.95 113.69 3kd2 s ARG 39 Ca -0.11 -0.22 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 3kd2 s ARG 39 Cb -0.08 -0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.09 3kd2 s ARG 39 CO -0.00 0.08 1.00 -1.21 -0.68 0.00 0.00 175.30 174.48 3kd2 s GLU 40 N -0.28 4.54 -0.15 3.54 0.41 -1.26 -0.87 118.70 124.63 3kd2 s GLU 40 Ca -0.00 1.44 -0.01 0.00 -0.41 0.00 0.00 54.97 55.99 3kd2 s GLU 40 Cb -0.03 -3.46 0.04 0.00 -1.78 0.00 0.00 34.13 28.91 3kd2 s GLU 40 CO -0.00 -0.08 -0.03 0.08 -0.49 0.00 0.00 175.26 174.74 3kd2 s VAL 41 N 1.08 0.89 -1.54 2.63 1.01 0.29 -4.81 120.40 119.96 3kd2 s VAL 41 Ca 0.52 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3kd2 s VAL 41 Cb -0.21 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.13 3kd2 s VAL 41 CO 0.27 0.10 0.69 0.47 0.00 0.00 0.00 175.10 176.64 3kd2 n ASP 42 N 4.95 -2.41 0.00 3.32 8.00 -1.26 -1.18 116.55 127.96 3kd2 n ASP 42 Ca -0.11 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3kd2 n ASP 42 Cb 0.48 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 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 -1.68 0.77 3.39 0.44 0.00 -1.26 -4.90 105.19 101.95 3kd2 n GLY 43 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.13 3.32 -0.48 1.61 1.01 -0.33 -5.01 120.40 117.39 3kd2 s VAL 44 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3kd2 s VAL 44 Cb 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kd2 s VAL 44 CO 0.00 0.50 0.93 -0.75 0.00 0.00 0.00 175.10 175.77 3kd2 s LYS 45 N 0.60 3.49 -0.16 2.72 2.20 -1.26 -0.54 119.74 126.78 3kd2 s LYS 45 Ca -0.06 0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 3kd2 s LYS 45 Cb -0.15 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3kd2 s LYS 45 CO 0.03 -1.28 0.13 -0.51 -0.36 0.00 0.00 175.35 173.36 3kd2 s LEU 46 N 3.80 4.29 0.07 5.43 1.43 -0.05 -1.07 118.68 132.58 3kd2 s LEU 46 Ca 0.36 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 3kd2 s LEU 46 Cb -0.10 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 3kd2 s LEU 46 CO 0.25 0.29 0.39 -2.28 0.23 0.00 0.00 176.35 175.23 3kd2 s HIS 47 N -0.33 3.60 0.13 0.29 5.65 -1.26 -1.58 115.29 121.79 3kd2 s HIS 47 Ca 0.11 0.79 -0.16 0.00 0.25 0.00 0.00 55.06 56.06 3kd2 s HIS 47 Cb -0.11 -2.16 0.03 0.00 -1.18 0.00 0.00 32.58 29.16 3kd2 s HIS 47 CO 0.01 0.54 0.39 1.52 -0.65 0.00 0.00 174.74 176.55 3kd2 s TYR 48 N -1.36 -0.16 -0.09 3.88 1.13 -0.54 -0.79 117.35 119.42 3kd2 s TYR 48 Ca 0.32 -0.17 0.04 0.00 -1.41 0.00 0.00 57.07 55.85 3kd2 s TYR 48 Cb -0.14 0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.95 3kd2 s TYR 48 CO 0.17 -0.71 -0.21 0.08 -2.51 0.00 0.00 175.55 172.38 3kd2 s VAL 49 N -3.82 2.36 -0.00 -3.49 1.01 -0.69 -1.43 120.40 114.34 3kd2 s VAL 49 Ca 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kd2 s VAL 49 Cb 0.02 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3kd2 s VAL 49 CO -0.11 0.56 -0.02 -0.75 0.00 0.00 0.00 175.10 174.78 3kd2 s LYS 50 N 0.13 0.17 0.25 2.72 2.20 0.06 -0.96 119.74 124.31 3kd2 s LYS 50 Ca -0.11 -0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.22 3kd2 s LYS 50 Cb -0.16 -0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.02 3kd2 s LYS 50 CO 0.06 0.03 0.78 0.20 -0.36 0.00 0.00 175.35 176.06 3kd2 s GLY 51 N 0.02 -0.11 0.00 5.54 0.00 -0.51 -0.74 107.32 111.53 3kd2 s GLY 51 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3kd2 s GLY 51 CO -0.00 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.65 3kd2 n GLY 52 N -0.47 -3.31 3.09 0.20 0.00 -1.26 0.28 105.19 103.73 3kd2 n GLY 52 Ca -0.05 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.73 0.47 0.00 1.61 -0.21 -0.91 -4.58 119.66 115.31 3kd2 s GLN 53 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3kd2 s GLN 53 Cb 0.00 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.20 3kd2 s GLN 53 CO 0.00 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.47 3kd2 n GLY 54 N 1.41 -0.63 3.64 3.09 0.00 -1.26 -2.68 105.19 108.76 3kd2 n GLY 54 Ca -0.23 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.27 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 0.49 -2.99 1.61 -0.02 -1.26 -3.26 135.00 129.57 3kd2 n PRO 55 Ca 0.00 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 3kd2 n PRO 55 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 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 -3.69 4.51 -0.13 2.45 2.96 -1.26 -0.79 118.68 122.72 3kd2 s LEU 56 Ca 0.74 1.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.18 3kd2 s LEU 56 Cb -0.34 -3.25 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3kd2 s LEU 56 CO 0.50 0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.77 3kd2 s VAL 57 N -0.51 1.66 -0.18 1.68 1.01 0.56 -0.89 120.40 123.72 3kd2 s VAL 57 Ca 0.37 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 3kd2 s VAL 57 Cb -0.21 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3kd2 s VAL 57 CO 0.24 0.47 0.16 -0.32 0.00 0.00 0.00 175.10 175.65 3kd2 s MET 58 N 1.15 4.07 -0.18 2.72 1.75 -0.40 -1.51 119.30 126.91 3kd2 s MET 58 Ca -0.02 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.24 3kd2 s MET 58 Cb -0.14 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.14 3kd2 s MET 58 CO -0.06 0.38 -0.09 -0.51 -0.65 0.00 0.00 175.02 174.09 3kd2 s LEU 59 N 0.12 2.78 -0.20 4.11 1.43 -0.20 -0.91 118.68 125.80 3kd2 s LEU 59 Ca 0.10 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3kd2 s LEU 59 Cb -0.11 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3kd2 s LEU 59 CO -0.00 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.80 3kd2 s VAL 60 N 0.96 2.37 1.08 -1.59 1.01 0.29 -3.70 120.40 120.84 3kd2 s VAL 60 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 3kd2 s VAL 60 Cb -0.15 -2.08 0.26 0.00 0.00 0.00 0.00 36.38 34.41 3kd2 s VAL 60 CO -0.00 0.42 1.28 0.00 0.00 0.00 0.00 175.10 176.79 3kd2 n HIS 61 N 4.63 -3.97 -3.11 5.22 1.44 -1.26 -1.73 115.22 116.44 3kd2 n HIS 61 Ca -0.19 -1.14 0.00 0.00 -2.01 0.00 0.00 57.72 54.38 3kd2 n HIS 61 Cb 0.49 -1.09 0.00 0.00 0.12 0.00 0.00 29.99 29.51 3kd2 n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kd2 n GLY 62 N -4.21 6.43 3.77 -1.39 0.00 -1.20 -2.74 105.19 105.84 3kd2 n GLY 62 Ca 0.16 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.04 2.74 0.00 1.61 5.36 -1.26 -2.86 117.98 123.53 3kd2 s PHE 63 Ca 0.00 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 3kd2 s PHE 63 Cb 0.00 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 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 0.63 1.52 0.38 13.12 0.00 -1.26 -4.97 105.19 114.62 3kd2 n GLY 64 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.31 -1.63 1.61 6.02 -1.14 -4.83 117.38 115.73 3kd2 n GLN 65 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 3kd2 n GLN 65 Cb 0.00 0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.55 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 -0.09 0.00 -0.01 5.09 -2.24 -1.26 -4.71 114.28 111.06 3kd2 n THR 66 Ca 0.00 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.02 3kd2 n THR 66 Cb 0.07 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.95 0.00 0.00 4.78 5.08 -1.86 -2.62 115.95 122.28 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 -0.06 -0.92 -1.28 0.00 0.00 178.44 176.18 3kd2 h TYR 68 N 0.00 0.00 0.00 0.12 3.20 -1.94 -1.73 116.97 116.62 3kd2 h TYR 68 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3kd2 h TYR 68 Cb 1.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.74 3kd2 h TYR 68 CO 0.00 0.06 0.00 1.05 -1.64 0.00 0.00 178.16 177.63 3kd2 h GLU 69 N 0.00 0.00 -0.16 1.82 4.11 -1.88 -1.26 114.58 117.22 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 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kd2 h GLU 69 CO 0.01 0.00 0.00 0.91 0.07 0.00 0.00 179.01 180.00 3kd2 n TRP 70 N -2.78 0.18 0.31 2.06 7.02 -0.65 -4.56 117.44 119.03 3kd2 n TRP 70 Ca -0.02 -0.09 0.19 0.00 -1.02 0.00 0.00 57.50 56.56 3kd2 n TRP 70 Cb 0.07 0.00 1.02 0.00 -2.42 0.00 0.00 31.31 29.99 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 3.89 0.00 0.11 -5.99 2.07 -1.38 -0.42 115.15 113.43 3kd2 h HIS 71 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3kd2 h HIS 71 Cb 0.84 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 3kd2 h HIS 71 CO 0.09 0.02 -1.51 1.96 -3.07 0.00 0.00 177.93 175.42 3kd2 h GLN 72 N 0.00 0.22 -0.05 5.12 4.20 -1.82 -3.35 115.11 119.43 3kd2 h GLN 72 Ca -0.00 -0.38 -0.21 0.00 0.06 0.00 0.00 58.65 58.12 3kd2 h GLN 72 Cb 0.12 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3kd2 h GLN 72 CO 0.00 1.08 -0.84 1.25 -0.67 0.00 0.00 178.83 179.65 3kd2 h LEU 73 N 0.06 0.57 -0.18 1.46 5.85 -1.60 -3.38 115.31 118.09 3kd2 h LEU 73 Ca -0.23 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.12 3kd2 h LEU 73 Cb 2.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.82 3kd2 h LEU 73 CO 0.16 1.19 -0.07 0.24 -0.34 0.00 0.00 178.44 179.61 3kd2 h MET 74 N 0.29 -0.05 -0.90 1.25 2.86 -1.26 -1.03 114.93 116.09 3kd2 h MET 74 Ca -0.06 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3kd2 h MET 74 Cb 1.45 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 33.07 3kd2 h MET 74 CO 0.15 -0.03 0.59 -1.35 1.06 0.00 0.00 176.91 177.33 3kd2 h PRO 75 N -0.05 1.07 -0.09 -0.22 0.11 -1.75 0.09 132.00 131.17 3kd2 h PRO 75 Ca 0.09 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3kd2 h PRO 75 Cb 0.19 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3kd2 h PRO 75 CO -0.21 0.71 -0.36 0.93 -0.21 0.00 0.00 178.00 178.86 3kd2 h GLU 76 N 1.10 0.40 -0.28 1.05 5.08 -1.65 -3.19 114.58 117.10 3kd2 h GLU 76 Ca 0.37 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3kd2 h GLU 76 Cb 0.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kd2 h GLU 76 CO -0.12 0.94 -0.10 1.25 -1.00 0.00 0.00 179.01 179.99 3kd2 h LEU 77 N -0.05 0.44 0.00 1.33 5.85 -1.01 -2.73 115.31 119.15 3kd2 h LEU 77 Ca -0.02 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3kd2 h LEU 77 Cb 1.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3kd2 h LEU 77 CO 0.08 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 3kd2 n ALA 78 N -2.48 1.72 0.24 1.25 0.00 0.00 -1.27 120.51 119.97 3kd2 n ALA 78 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3kd2 n ALA 78 Cb 0.29 -1.21 0.40 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.56 -3.32 116.57 113.26 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kd2 h LYS 79 CO 0.00 0.05 -0.71 0.54 -0.57 0.00 0.00 179.45 178.77 3kd2 n ARG 80 N -3.13 1.72 -4.23 3.15 1.74 -0.66 -4.94 116.66 110.30 3kd2 n ARG 80 Ca 0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3kd2 n ARG 80 Cb 0.44 -0.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.48 1.17 -0.07 -1.55 0.08 -0.40 -4.45 117.98 111.29 3kd2 s PHE 81 Ca 0.00 -0.95 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 3kd2 s PHE 81 Cb 0.00 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 3kd2 s PHE 81 CO 0.00 -0.14 0.94 0.99 -0.10 0.00 0.00 175.22 176.91 3kd2 s THR 82 N -3.58 4.85 -0.11 0.64 2.01 0.03 -2.13 115.64 117.35 3kd2 s THR 82 Ca 0.20 1.93 0.03 0.00 0.31 0.00 0.00 61.69 64.17 3kd2 s THR 82 Cb 0.05 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 3kd2 s THR 82 CO 0.02 0.09 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.13 3kd2 s VAL 83 N 1.54 2.25 -0.06 3.82 1.01 0.14 -0.33 120.40 128.77 3kd2 s VAL 83 Ca 0.47 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3kd2 s VAL 83 Cb -0.19 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3kd2 s VAL 83 CO 0.21 0.55 -0.14 -0.51 0.00 0.00 0.00 175.10 175.21 3kd2 s ILE 84 N 0.44 1.26 -0.33 2.22 2.07 -0.57 -1.42 121.20 124.87 3kd2 s ILE 84 Ca -0.15 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 3kd2 s ILE 84 Cb -0.17 -1.13 0.10 0.00 0.13 0.00 0.00 42.46 41.39 3kd2 s ILE 84 CO 0.06 0.38 0.08 0.00 -1.91 0.00 0.00 174.94 173.55 3kd2 s ALA 85 N 0.53 2.28 0.51 1.50 0.00 -0.13 -1.04 121.76 125.42 3kd2 s ALA 85 Ca -0.13 -2.16 -0.11 0.00 0.00 0.00 0.00 51.96 49.56 3kd2 s ALA 85 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3kd2 s ALA 85 CO 0.04 -1.69 0.90 -1.25 0.00 0.00 0.00 175.76 173.76 3kd2 s PRO 86 N 1.20 3.71 -0.04 0.00 0.04 -1.24 -1.71 135.00 136.96 3kd2 s PRO 86 Ca 0.11 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 3kd2 s PRO 86 Cb -0.18 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3kd2 s PRO 86 CO -0.16 -0.29 0.60 -0.51 0.04 0.00 0.00 177.00 176.68 3kd2 s ASP 87 N -3.66 6.92 0.53 6.66 1.01 0.03 -4.31 116.67 123.85 3kd2 s ASP 87 Ca 0.53 1.10 -0.22 0.00 0.71 0.00 0.00 52.55 54.68 3kd2 s ASP 87 Cb -0.10 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 3kd2 s ASP 87 CO 0.41 0.03 1.22 0.18 0.21 0.00 0.00 175.17 177.22 3kd2 n LEU 88 N 3.18 4.57 -4.60 1.23 4.77 -1.26 -4.60 117.00 120.29 3kd2 n LEU 88 Ca -0.05 0.97 -0.53 0.00 -0.03 0.00 0.00 56.01 56.36 3kd2 n LEU 88 Cb 0.51 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 3kd2 n LEU 88 CO 0.44 -0.97 0.94 -2.65 -1.33 0.00 0.00 177.39 173.82 3kd2 n PRO 89 N -0.72 1.11 0.00 3.23 -0.02 -1.26 -0.61 135.00 136.73 3kd2 n PRO 89 Ca 0.10 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kd2 n PRO 89 Cb 0.44 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.68 3.11 3.93 -1.23 0.00 -0.62 -4.62 105.19 108.44 3kd2 n GLY 90 Ca 0.19 0.00 -0.20 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 3.87 0.00 0.99 1.43 0.22 -3.83 118.68 121.36 3kd2 s LEU 91 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3kd2 s LEU 91 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3kd2 s LEU 91 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 3kd2 n GLY 92 N -1.50 3.19 1.17 -3.19 0.00 -1.26 -1.27 105.19 102.33 3kd2 n GLY 92 Ca -0.02 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 3.43 -3.52 1.61 6.02 -1.26 -4.98 117.38 132.68 3kd2 n GLN 93 Ca 0.00 -2.94 -0.38 0.00 -0.01 0.00 0.00 57.00 53.67 3kd2 n GLN 93 Cb 0.00 -1.96 -0.06 0.00 1.02 0.00 0.00 30.24 29.24 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 -1.64 6.76 0.48 1.08 0.01 -0.40 -4.25 113.70 115.74 3kd2 s SER 94 Ca 0.46 0.91 -0.23 0.00 1.31 0.00 0.00 55.95 58.39 3kd2 s SER 94 Cb 0.36 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 64.29 3kd2 s SER 94 CO 0.11 0.31 1.27 -0.70 0.41 0.00 0.00 173.24 174.64 3kd2 s GLU 95 N -0.95 3.56 0.80 12.44 2.12 -0.23 -1.67 118.70 134.77 3kd2 s GLU 95 Ca 0.23 2.05 -0.14 0.00 0.36 0.00 0.00 54.97 57.47 3kd2 s GLU 95 Cb -0.16 -2.43 0.06 0.00 0.26 0.00 0.00 34.13 31.86 3kd2 s GLU 95 CO 0.12 -0.79 1.04 -2.30 -0.54 0.00 0.00 175.26 172.79 3kd2 n PRO 96 N -0.56 0.20 -1.70 4.30 -0.02 -1.26 -1.59 135.00 134.38 3kd2 n PRO 96 Ca 0.08 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 3kd2 n PRO 96 Cb 0.46 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3kd2 n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kd2 s PRO 97 N -3.83 2.62 -0.01 0.52 0.04 -1.26 -4.72 135.00 128.36 3kd2 s PRO 97 Ca 0.71 1.55 0.19 0.00 0.04 0.00 0.00 61.00 63.50 3kd2 s PRO 97 Cb -0.30 -1.91 -0.24 0.00 0.04 0.00 0.00 34.50 32.09 3kd2 s PRO 97 CO 0.53 -1.42 0.70 1.63 0.04 0.00 0.00 177.00 178.48 3kd2 n LYS 98 N -2.39 0.67 -0.05 4.56 5.02 -1.26 -4.63 118.16 120.07 3kd2 n LYS 98 Ca 0.12 -0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 3kd2 n LYS 98 Cb 0.51 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 3kd2 n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kd2 n THR 99 N -1.66 1.03 0.00 -0.18 -2.24 -1.26 -5.12 114.28 104.85 3kd2 n THR 99 Ca 0.02 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3kd2 n THR 99 Cb 0.36 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 3kd2 n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd2 n GLY 100 N 1.59 -1.01 0.83 3.38 0.00 -1.26 -5.04 105.19 103.68 3kd2 n GLY 100 Ca -0.07 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.19 0.44 -1.72 1.61 4.02 -1.26 -4.21 117.16 115.84 3kd2 n TYR 101 Ca 0.00 -0.33 -0.33 0.00 -0.01 0.00 0.00 57.90 57.23 3kd2 n TYR 101 Cb 0.00 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.12 4.99 0.25 7.72 1.04 -1.26 -4.65 113.70 120.67 3kd2 s SER 102 Ca 0.28 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 3kd2 s SER 102 Cb 0.16 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 64.17 3kd2 s SER 102 CO 0.22 -1.71 1.77 1.23 0.98 0.00 0.00 173.24 175.73 3kd2 h GLY 103 N 0.01 1.26 1.60 7.32 0.00 -1.86 -1.11 103.07 110.30 3kd2 h GLY 103 Ca -0.47 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 3kd2 h GLY 103 CO 0.53 0.02 -0.40 -2.09 0.00 0.00 0.00 176.54 174.60 3kd2 h GLU 104 N 0.64 0.44 -0.08 4.80 4.81 -1.91 -0.93 114.58 122.34 3kd2 h GLU 104 Ca 0.42 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3kd2 h GLU 104 Cb 0.52 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3kd2 h GLU 104 CO -0.32 0.77 -0.27 1.96 -0.73 0.00 0.00 179.01 180.42 3kd2 h GLN 105 N 0.37 0.32 -0.45 1.92 4.20 -1.68 -3.25 115.11 116.54 3kd2 h GLN 105 Ca 0.03 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 3kd2 h GLN 105 Cb 0.86 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3kd2 h GLN 105 CO 0.07 0.86 -0.12 0.28 -0.67 0.00 0.00 178.83 179.26 3kd2 h VAL 106 N -0.17 1.26 -0.56 -0.54 2.07 -1.19 -2.92 116.25 114.20 3kd2 h VAL 106 Ca -0.01 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.40 3kd2 h VAL 106 Cb 0.90 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3kd2 h VAL 106 CO 0.06 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.43 3kd2 h ALA 107 N 1.12 2.02 -0.33 1.67 0.00 -1.06 -1.90 119.26 120.77 3kd2 h ALA 107 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kd2 h ALA 107 Cb 0.62 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3kd2 h ALA 107 CO 0.04 -0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.53 3kd2 h VAL 108 N 0.38 0.88 -0.43 0.00 2.07 -1.54 0.93 116.25 118.55 3kd2 h VAL 108 Ca 0.26 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.72 3kd2 h VAL 108 Cb 0.50 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3kd2 h VAL 108 CO -0.07 0.04 0.25 1.88 0.02 0.00 0.00 177.57 179.70 3kd2 h TYR 109 N 0.23 0.47 -0.44 1.57 0.05 -1.47 -0.85 116.97 116.53 3kd2 h TYR 109 Ca 0.15 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 3kd2 h TYR 109 Cb 0.14 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3kd2 h TYR 109 CO -0.15 0.27 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.03 3kd2 h LEU 110 N 0.51 0.89 -0.10 3.88 3.38 -1.33 -0.92 115.31 121.62 3kd2 h LEU 110 Ca 0.17 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kd2 h LEU 110 Cb 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3kd2 h LEU 110 CO -0.08 1.06 0.06 -0.74 0.09 0.00 0.00 178.44 178.83 3kd2 h HIS 111 N 0.71 0.13 -0.31 1.13 2.76 -0.64 -1.82 115.15 117.12 3kd2 h HIS 111 Ca 0.11 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 3kd2 h HIS 111 Cb 0.68 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3kd2 h HIS 111 CO 0.05 0.16 -0.16 0.87 -1.30 0.00 0.00 177.93 177.55 3kd2 h LYS 112 N 0.07 0.54 -0.13 5.26 1.57 -1.10 -1.41 116.57 121.38 3kd2 h LYS 112 Ca 0.03 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kd2 h LYS 112 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kd2 h LYS 112 CO -0.01 0.69 0.07 1.25 -0.57 0.00 0.00 179.45 180.88 3kd2 h LEU 113 N 0.49 0.16 -0.58 2.94 5.85 -1.03 -2.11 115.31 121.03 3kd2 h LEU 113 Ca 0.08 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kd2 h LEU 113 Cb 0.56 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3kd2 h LEU 113 CO 0.04 0.20 0.37 0.00 -0.34 0.00 0.00 178.44 178.70 3kd2 h ALA 114 N 0.97 0.75 0.00 1.25 0.00 -1.06 -2.40 119.26 118.77 3kd2 h ALA 114 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kd2 h ALA 114 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kd2 h ALA 114 CO -0.01 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.23 3kd2 h ARG 115 N 0.74 0.00 -0.18 0.00 2.47 -1.10 0.40 114.38 116.71 3kd2 h ARG 115 Ca 0.23 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 3kd2 h ARG 115 Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 3kd2 h ARG 115 CO -0.08 0.14 -0.01 1.96 0.56 0.00 0.00 179.97 182.53 3kd2 h GLN 116 N 0.00 0.25 0.00 0.04 4.20 -0.85 -2.44 115.11 116.31 3kd2 h GLN 116 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kd2 h GLN 116 Cb 0.37 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kd2 h GLN 116 CO 0.02 0.29 -1.92 1.19 -0.67 0.00 0.00 178.83 177.74 3kd2 n PHE 117 N -4.38 0.00 -3.14 2.96 3.72 -0.50 -4.60 117.46 111.52 3kd2 n PHE 117 Ca -0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3kd2 n PHE 117 Cb 0.18 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.20 1.84 0.22 4.37 2.88 0.01 -4.94 113.62 115.80 3kd2 n SER 118 Ca -0.04 -3.16 0.08 0.00 -1.33 0.00 0.00 58.87 54.42 3kd2 n SER 118 Cb 0.53 -0.61 0.49 0.00 -0.75 0.00 0.00 64.21 63.86 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 3.23 0.00 -0.01 -1.46 0.13 -1.69 -3.28 132.00 128.92 3kd2 h PRO 119 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kd2 h PRO 119 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3kd2 h PRO 119 CO 0.60 0.27 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.23 3kd2 n ASP 120 N -3.69 1.53 -4.16 1.44 8.00 -1.26 -4.99 116.55 113.43 3kd2 n ASP 120 Ca -0.01 -1.27 -0.12 0.00 0.71 0.00 0.00 54.79 54.10 3kd2 n ASP 120 Cb 0.38 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.30 0.80 0.66 -1.24 0.52 -1.24 -5.14 118.95 112.01 3kd2 s ARG 121 Ca 0.11 -1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 53.96 3kd2 s ARG 121 Cb 0.09 -0.32 -0.00 0.00 0.52 0.00 0.00 34.95 35.24 3kd2 s ARG 121 CO 0.24 0.02 1.17 -2.14 0.02 0.00 0.00 175.30 174.61 3kd2 s PRO 122 N -3.18 2.66 0.29 3.54 0.02 -1.26 -4.86 135.00 132.21 3kd2 s PRO 122 Ca 0.07 1.64 0.11 0.00 0.02 0.00 0.00 61.00 62.84 3kd2 s PRO 122 Cb 0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3kd2 s PRO 122 CO -0.02 -1.41 -0.17 -0.59 -0.33 0.00 0.00 177.00 174.48 3kd2 s PHE 123 N -1.99 2.32 0.32 6.54 -0.71 0.26 -4.64 117.98 120.09 3kd2 s PHE 123 Ca 0.72 -0.36 -0.09 0.00 -1.04 0.00 0.00 56.93 56.17 3kd2 s PHE 123 Cb -0.26 -1.07 -0.07 0.00 -1.21 0.00 0.00 43.02 40.41 3kd2 s PHE 123 CO 0.39 0.69 0.65 -0.51 -1.34 0.00 0.00 175.22 175.11 3kd2 s ASP 124 N -3.53 6.56 -0.06 1.98 1.01 -0.07 -1.18 116.67 121.37 3kd2 s ASP 124 Ca 0.31 0.98 0.02 0.00 0.71 0.00 0.00 52.55 54.57 3kd2 s ASP 124 Cb -0.04 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.65 3kd2 s ASP 124 CO 0.15 -0.24 -0.11 -0.22 0.21 0.00 0.00 175.17 174.97 3kd2 s LEU 125 N -3.42 1.61 -0.11 1.23 2.96 -0.48 -1.27 118.68 119.20 3kd2 s LEU 125 Ca 0.49 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3kd2 s LEU 125 Cb -0.11 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3kd2 s LEU 125 CO 0.27 0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 3kd2 s VAL 126 N 0.65 1.50 0.03 1.68 1.01 -0.09 -0.54 120.40 124.64 3kd2 s VAL 126 Ca -0.13 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3kd2 s VAL 126 Cb -0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3kd2 s VAL 126 CO 0.03 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 3kd2 s ALA 127 N 1.02 0.60 -0.01 5.51 0.00 -0.02 -0.54 121.76 128.31 3kd2 s ALA 127 Ca -0.06 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.35 3kd2 s ALA 127 Cb -0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3kd2 s ALA 127 CO -0.02 0.05 -0.15 -1.58 0.00 0.00 0.00 175.76 174.06 3kd2 s HIS 128 N -0.91 1.33 0.00 0.00 2.46 -0.70 -1.26 115.29 116.21 3kd2 s HIS 128 Ca -0.05 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.23 3kd2 s HIS 128 Cb -0.07 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.52 3kd2 s HIS 128 CO 0.00 -0.02 0.00 -3.47 -2.47 0.00 0.00 174.74 168.78 3kd2 n ASP 129 N 2.67 0.00 0.00 9.88 -0.08 -0.96 -0.96 116.55 127.10 3kd2 n ASP 129 Ca -0.14 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.20 3kd2 n ASP 129 Cb 0.55 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.33 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 0.57 0.22 5.18 -5.35 -1.26 -0.90 119.36 117.81 3kd2 n ILE 130 Ca 0.00 0.14 0.06 0.00 -0.27 0.00 0.00 62.75 62.68 3kd2 n ILE 130 Cb 0.00 -0.94 0.55 0.00 -1.74 0.00 0.00 39.64 37.51 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 2.01 0.05 0.75 3.28 0.00 -0.85 -1.65 103.07 106.65 3kd2 h GLY 131 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3kd2 h GLY 131 CO 0.00 0.02 0.00 -2.22 0.00 0.00 0.00 176.54 174.34 3kd2 h ILE 132 N 0.04 1.25 -0.82 2.60 2.04 -1.15 -2.73 117.51 118.73 3kd2 h ILE 132 Ca 0.01 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.20 3kd2 h ILE 132 Cb 0.17 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 3kd2 h ILE 132 CO 0.01 0.21 0.53 -0.50 0.00 0.00 0.00 178.15 178.41 3kd2 h TRP 133 N -0.14 0.82 -0.17 1.37 6.55 -1.54 -1.48 115.95 121.36 3kd2 h TRP 133 Ca 0.02 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3kd2 h TRP 133 Cb 0.33 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 3kd2 h TRP 133 CO 0.03 0.38 0.00 0.09 -1.05 0.00 0.00 178.44 177.89 3kd2 n ASN 134 N -4.51 1.91 0.00 -3.49 3.02 -0.68 -4.16 115.26 107.35 3kd2 n ASN 134 Ca 0.14 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3kd2 n ASN 134 Cb 0.33 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.48 0.00 -0.19 3.41 -2.24 -0.93 -3.00 114.28 111.82 3kd2 n THR 135 Ca 0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3kd2 n THR 135 Cb 0.37 -0.55 0.08 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.79 4.78 3.20 -1.45 -1.54 116.97 121.15 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 0.61 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 3kd2 h TYR 136 CO 0.00 -0.14 0.50 -1.35 -1.64 0.00 0.00 178.16 175.53 3kd2 h PRO 137 N 0.12 0.93 0.00 1.82 0.11 -1.85 -0.85 132.00 132.28 3kd2 h PRO 137 Ca 0.29 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 3kd2 h PRO 137 Cb 0.46 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3kd2 h PRO 137 CO -0.48 0.61 -0.38 0.00 -0.21 0.00 0.00 178.00 177.54 3kd2 h MET 138 N 0.96 0.00 -0.03 1.05 -0.00 -1.65 -1.76 114.93 113.49 3kd2 h MET 138 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 60.00 3kd2 h MET 138 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.64 3kd2 h MET 138 CO -0.12 0.38 -0.04 0.28 -0.00 0.00 0.00 176.91 177.41 3kd2 h VAL 139 N 0.00 1.40 0.00 -0.10 2.07 -0.69 -1.92 116.25 117.01 3kd2 h VAL 139 Ca -0.00 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3kd2 h VAL 139 Cb 0.89 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3kd2 h VAL 139 CO 0.05 0.33 -0.34 1.62 0.02 0.00 0.00 177.57 179.26 3kd2 h VAL 140 N -0.40 0.91 0.00 2.57 3.04 -1.11 -2.90 116.25 118.36 3kd2 h VAL 140 Ca 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 3kd2 h VAL 140 Cb 0.56 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 3kd2 h VAL 140 CO 0.01 0.33 -0.92 0.29 -1.01 0.00 0.00 177.57 176.27 3kd2 n LYS 141 N -3.65 0.34 -2.62 4.17 5.02 -0.67 -4.36 118.16 116.39 3kd2 n LYS 141 Ca -0.01 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.16 3kd2 n LYS 141 Cb 0.45 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 3kd2 n LYS 141 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kd2 n ASN 142 N -2.11 2.56 0.11 4.39 3.02 -0.72 -4.94 115.26 117.56 3kd2 n ASN 142 Ca 0.02 -3.07 0.06 0.00 -0.03 0.00 0.00 54.58 51.55 3kd2 n ASN 142 Cb 0.46 -0.51 0.52 0.00 -0.61 0.00 0.00 39.78 39.63 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 2.86 0.31 0.00 3.52 4.20 -1.71 0.67 115.11 124.96 3kd2 h GLN 143 Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3kd2 h GLN 143 Cb 1.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3kd2 h GLN 143 CO 0.62 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.99 3kd2 h ALA 144 N 1.85 1.00 0.00 3.87 0.00 -1.92 -1.94 119.26 122.12 3kd2 h ALA 144 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kd2 h ALA 144 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kd2 h ALA 144 CO -0.02 0.00 -0.42 -0.25 0.00 0.00 0.00 179.25 178.56 3kd2 n ASP 145 N -2.78 0.45 -4.26 0.00 8.00 0.23 -4.52 116.55 113.67 3kd2 n ASP 145 Ca -0.00 -0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.10 3kd2 n ASP 145 Cb 0.19 0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.24 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 -3.03 3.53 -0.03 0.53 -1.09 -0.73 -0.57 121.20 119.81 3kd2 s ILE 146 Ca 0.11 -1.09 -0.14 0.00 -2.23 0.00 0.00 60.65 57.29 3kd2 s ILE 146 Cb 0.17 -2.95 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 3kd2 s ILE 146 CO 0.67 -0.07 0.63 0.00 -1.23 0.00 0.00 174.94 174.95 3kd2 h ALA 147 N 8.15 -0.56 -2.62 9.38 0.00 -1.41 -3.47 119.26 128.73 3kd2 h ALA 147 Ca -0.25 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3kd2 h ALA 147 Cb 1.09 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 3kd2 h ALA 147 CO 0.58 -0.52 -0.67 1.03 0.00 0.00 0.00 179.25 179.67 3kd2 s ARG 148 N -3.26 0.47 -0.07 0.00 0.52 -1.26 -4.19 118.95 111.16 3kd2 s ARG 148 Ca -0.08 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 3kd2 s ARG 148 Cb 0.01 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.66 3kd2 s ARG 148 CO 0.23 -0.09 -0.13 -1.17 0.02 0.00 0.00 175.30 174.16 3kd2 s LEU 149 N -2.16 1.65 -0.14 2.53 2.96 -0.50 -1.38 118.68 121.64 3kd2 s LEU 149 Ca -0.05 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3kd2 s LEU 149 Cb -0.01 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.85 3kd2 s LEU 149 CO -0.05 0.03 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.19 3kd2 s VAL 150 N 0.68 1.49 -0.09 1.68 1.01 0.30 -0.50 120.40 124.97 3kd2 s VAL 150 Ca -0.14 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3kd2 s VAL 150 Cb -0.16 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3kd2 s VAL 150 CO 0.04 0.45 -0.24 -0.31 0.00 0.00 0.00 175.10 175.03 3kd2 s TYR 151 N 1.46 2.55 -0.02 5.22 1.51 -0.58 -0.84 117.35 126.65 3kd2 s TYR 151 Ca 0.04 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 3kd2 s TYR 151 Cb -0.13 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3kd2 s TYR 151 CO -0.09 -0.38 -0.03 0.00 -1.11 0.00 0.00 175.55 173.94 3kd2 s MET 152 N 0.25 0.39 -1.07 -0.62 0.23 -0.39 -1.73 119.30 116.37 3kd2 s MET 152 Ca -0.16 -0.09 -0.09 0.00 -1.03 0.00 0.00 55.69 54.32 3kd2 s MET 152 Cb -0.17 -0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 32.64 3kd2 s MET 152 CO 0.08 0.01 0.90 0.39 -2.03 0.00 0.00 175.02 174.37 3kd2 n GLU 153 N 3.41 -2.10 0.00 3.16 -0.58 -0.94 -2.28 120.64 121.31 3kd2 n GLU 153 Ca -0.18 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3kd2 n GLU 153 Cb 0.55 -5.51 0.00 0.00 -0.57 0.00 0.00 31.44 25.92 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 -3.43 0.00 -1.77 0.62 0.00 -1.26 -2.94 120.51 111.74 3kd2 n ALA 154 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 3kd2 n ALA 154 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.28 4.20 0.24 0.00 0.05 -1.26 -4.93 135.00 132.02 3kd2 s PRO 155 Ca 0.00 1.76 -0.30 0.00 0.05 0.00 0.00 61.00 62.51 3kd2 s PRO 155 Cb 0.00 -2.75 -0.10 0.00 0.05 0.00 0.00 34.50 31.70 3kd2 s PRO 155 CO 0.00 -0.17 1.45 0.42 0.05 0.00 0.00 177.00 178.75 3kd2 s ILE 156 N -1.42 2.63 -0.18 0.56 1.01 -1.26 -4.75 121.20 117.79 3kd2 s ILE 156 Ca 0.55 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 61.44 3kd2 s ILE 156 Cb -0.29 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 3kd2 s ILE 156 CO 0.37 0.08 2.15 -2.84 0.00 0.00 0.00 174.94 174.70 3kd2 s PRO 157 N -0.28 3.31 0.07 2.79 0.02 -1.26 -4.89 135.00 134.76 3kd2 s PRO 157 Ca 0.60 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 3kd2 s PRO 157 Cb -0.42 -4.33 0.01 0.00 0.02 0.00 0.00 34.50 29.78 3kd2 s PRO 157 CO 0.43 -1.90 0.12 -0.40 -0.33 0.00 0.00 177.00 174.91 3kd2 n ASP 158 N 10.92 -0.34 0.31 2.53 5.68 -1.26 -4.40 116.55 129.99 3kd2 n ASP 158 Ca 0.28 -1.31 0.21 0.00 -0.50 0.00 0.00 54.79 53.47 3kd2 n ASP 158 Cb 0.44 0.59 1.12 0.00 -1.14 0.00 0.00 41.12 42.14 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 1.81 1.00 -0.06 2.12 0.00 -1.90 -2.24 119.26 119.99 3kd2 h ALA 159 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kd2 h ALA 159 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kd2 h ALA 159 CO 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.36 3kd2 h ARG 160 N 0.00 0.05 0.00 0.00 3.08 -1.96 -2.06 114.38 113.50 3kd2 h ARG 160 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kd2 h ARG 160 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kd2 h ARG 160 CO 0.00 0.04 -0.03 -0.84 -1.07 0.00 0.00 179.97 178.06 3kd2 h ILE 161 N 0.06 0.16 0.00 2.04 3.07 -1.74 -2.00 117.51 119.09 3kd2 h ILE 161 Ca 0.02 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3kd2 h ILE 161 Cb 0.03 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.84 3kd2 h ILE 161 CO -0.00 0.03 0.00 -1.22 -1.05 0.00 0.00 178.15 175.91 3kd2 n TYR 162 N -3.25 0.00 -0.01 0.16 4.01 -0.77 -3.31 117.16 113.99 3kd2 n TYR 162 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 3kd2 n TYR 162 Cb 0.19 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.96 0.65 -1.74 -0.72 1.74 -0.75 -4.95 116.66 109.93 3kd2 n ARG 163 Ca 0.22 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 3kd2 n ARG 163 Cb 0.10 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 3kd2 n ARG 163 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kd2 n PHE 164 N -2.54 2.79 -2.50 -1.55 3.72 -1.21 -4.95 117.46 111.22 3kd2 n PHE 164 Ca -0.12 0.34 -0.33 0.00 -0.05 0.00 0.00 57.45 57.30 3kd2 n PHE 164 Cb 0.76 -2.56 -0.04 0.00 -0.94 0.00 0.00 39.48 36.71 3kd2 n PHE 164 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kd2 s PRO 165 N -1.04 3.88 0.46 -1.08 0.04 -1.26 -4.97 135.00 131.03 3kd2 s PRO 165 Ca 0.61 1.16 0.25 0.00 0.04 0.00 0.00 61.00 63.05 3kd2 s PRO 165 Cb -0.51 -2.12 0.51 0.00 0.04 0.00 0.00 34.50 32.43 3kd2 s PRO 165 CO 0.54 -0.34 1.67 0.00 0.04 0.00 0.00 177.00 178.91 3kd2 h ALA 166 N 1.30 0.99 -2.30 8.56 0.00 -1.97 -3.43 119.26 122.41 3kd2 h ALA 166 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3kd2 h ALA 166 Cb 1.20 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3kd2 h ALA 166 CO 0.60 0.01 0.05 0.12 0.00 0.00 0.00 179.25 180.03 3kd2 s PHE 167 N -3.29 -0.48 0.20 0.00 5.36 -1.26 -4.30 117.98 114.21 3kd2 s PHE 167 Ca 0.06 0.71 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 3kd2 s PHE 167 Cb 0.06 0.33 -0.05 0.00 -0.34 0.00 0.00 43.02 43.02 3kd2 s PHE 167 CO 0.65 -0.59 -0.05 0.95 -1.46 0.00 0.00 175.22 174.72 3kd2 s THR 168 N -1.74 1.18 -1.31 0.12 -4.23 -0.73 -4.86 115.64 104.07 3kd2 s THR 168 Ca -0.09 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3kd2 s THR 168 Cb -0.01 -2.15 0.14 0.00 1.34 0.00 0.00 72.50 71.82 3kd2 s THR 168 CO 0.04 -0.50 1.20 0.00 -0.54 0.00 0.00 174.62 174.83 3kd2 n ALA 169 N -0.35 1.55 0.66 3.99 0.00 -1.26 -1.77 120.51 123.33 3kd2 n ALA 169 Ca -0.07 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.40 3kd2 n ALA 169 Cb 0.62 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.35 1.74 0.00 0.00 3.00 -1.26 -5.10 117.38 114.41 3kd2 n GLN 170 Ca 0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 3kd2 n GLN 170 Cb 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3kd2 n GLN 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kd2 n GLY 171 N 1.10 0.38 3.72 1.08 0.00 -0.73 -5.08 105.19 105.65 3kd2 n GLY 171 Ca 0.06 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 2.13 -2.03 1.61 0.28 -1.26 -1.77 120.64 119.60 3kd2 n GLU 172 Ca 0.00 0.75 -0.29 0.00 -0.16 0.00 0.00 57.16 57.47 3kd2 n GLU 172 Cb 0.00 -2.42 0.15 0.00 1.43 0.00 0.00 31.44 30.60 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 -0.39 3.65 0.14 -1.84 1.04 -1.26 -4.74 113.70 110.30 3kd2 s SER 173 Ca 0.58 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 3kd2 s SER 173 Cb -0.52 -0.50 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 3kd2 s SER 173 CO 0.60 -2.39 1.47 -0.07 0.98 0.00 0.00 173.24 173.83 3kd2 h LEU 174 N -1.32 1.01 -3.05 2.42 3.38 -1.94 -3.38 115.31 112.44 3kd2 h LEU 174 Ca -0.44 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 56.99 3kd2 h LEU 174 Cb 1.26 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 3kd2 h LEU 174 CO 0.45 1.28 -0.68 1.33 0.09 0.00 0.00 178.44 180.90 3kd2 n VAL 175 N -4.05 1.53 0.30 1.22 0.24 -1.26 -4.68 118.33 111.62 3kd2 n VAL 175 Ca -0.02 -2.58 0.18 0.00 -2.04 0.00 0.00 64.34 59.87 3kd2 n VAL 175 Cb 0.56 0.14 0.98 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.05 0.00 0.00 6.34 5.08 -1.84 -1.93 115.95 124.65 3kd2 h TRP 176 Ca -0.06 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.90 3kd2 h TRP 176 Cb 1.29 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3kd2 h TRP 176 CO 0.58 0.02 -0.05 1.12 -1.28 0.00 0.00 178.44 178.83 3kd2 h HIS 177 N 0.00 0.00 -0.53 0.12 2.07 -1.91 -1.80 115.15 113.10 3kd2 h HIS 177 Ca -0.00 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.62 3kd2 h HIS 177 Cb 0.10 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.00 3kd2 h HIS 177 CO 0.00 0.05 0.05 0.74 -3.07 0.00 0.00 177.93 175.71 3kd2 h PHE 178 N 0.00 0.07 -0.12 6.12 -1.00 -1.72 0.31 116.94 120.60 3kd2 h PHE 178 Ca -0.00 0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.72 3kd2 h PHE 178 Cb 0.27 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3kd2 h PHE 178 CO 0.00 -0.08 -0.31 0.77 -1.61 0.00 0.00 178.31 177.08 3kd2 h SER 179 N 0.18 0.48 -0.37 2.17 0.02 -1.52 -1.59 113.55 112.91 3kd2 h SER 179 Ca 0.27 -0.59 0.06 0.00 -0.84 0.00 0.00 61.79 60.70 3kd2 h SER 179 Cb 0.41 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3kd2 h SER 179 CO -0.40 0.98 0.04 0.15 -1.14 0.00 0.00 176.83 176.45 3kd2 h PHE 180 N -0.00 0.05 -0.03 3.45 3.57 -1.20 -1.62 116.94 121.16 3kd2 h PHE 180 Ca -0.01 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.34 3kd2 h PHE 180 Cb 0.92 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3kd2 h PHE 180 CO 0.11 -0.03 -0.76 0.74 -2.23 0.00 0.00 178.31 176.14 3kd2 h PHE 181 N 0.15 0.34 0.00 0.41 0.04 -0.42 -3.19 116.94 114.26 3kd2 h PHE 181 Ca 0.18 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3kd2 h PHE 181 Cb 0.23 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3kd2 h PHE 181 CO -0.22 0.92 0.00 0.00 -0.60 0.00 0.00 178.31 178.40 3kd2 h ALA 182 N 1.04 1.00 -2.87 2.45 0.00 -1.05 -3.40 119.26 116.43 3kd2 h ALA 182 Ca -0.03 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.32 3kd2 h ALA 182 Cb 1.34 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.28 3kd2 h ALA 182 CO 0.12 0.00 0.39 0.00 0.00 0.00 0.00 179.25 179.76 3kd2 n ALA 183 N -1.82 0.95 -1.16 0.00 0.00 -0.63 -4.67 120.51 113.18 3kd2 n ALA 183 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3kd2 n ALA 183 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3kd2 n ALA 183 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kd2 n ASP 184 N -0.69 0.00 -1.28 0.00 5.75 -1.26 -4.25 116.55 114.82 3kd2 n ASP 184 Ca 0.11 -0.49 -0.17 0.00 -0.01 0.00 0.00 54.79 54.23 3kd2 n ASP 184 Cb 0.44 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 3kd2 n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kd2 n ASP 185 N -1.47 -5.36 -4.08 -1.12 8.00 -1.26 -1.94 116.55 109.31 3kd2 n ASP 185 Ca 0.00 0.41 -0.33 0.00 0.71 0.00 0.00 54.79 55.58 3kd2 n ASP 185 Cb 0.00 -4.33 -0.00 0.00 -0.02 0.00 0.00 41.12 36.76 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 -2.05 -4.18 0.02 -1.24 5.12 -1.26 -4.86 116.66 108.21 3kd2 n ARG 186 Ca -0.17 0.47 -0.11 0.00 -1.93 0.00 0.00 57.85 56.12 3kd2 n ARG 186 Cb 0.61 -5.24 -0.04 0.00 -1.16 0.00 0.00 32.46 26.62 3kd2 n ARG 186 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kd2 h LEU 187 N -1.76 -0.94 -0.09 0.55 5.85 -1.57 -0.89 115.31 116.47 3kd2 h LEU 187 Ca -0.59 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3kd2 h LEU 187 Cb 1.38 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 3kd2 h LEU 187 CO 0.73 -0.35 0.03 0.00 -0.34 0.00 0.00 178.44 178.51 3kd2 h ALA 188 N 0.41 0.11 -0.72 1.25 0.00 -1.86 -1.73 119.26 116.73 3kd2 h ALA 188 Ca 0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kd2 h ALA 188 Cb 0.53 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3kd2 h ALA 188 CO -0.32 -0.29 0.43 0.93 0.00 0.00 0.00 179.25 180.00 3kd2 h GLU 189 N -0.03 0.79 -0.46 0.00 3.07 -1.88 -0.33 114.58 115.74 3kd2 h GLU 189 Ca 0.03 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 3kd2 h GLU 189 Cb 0.19 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3kd2 h GLU 189 CO -0.00 0.52 -0.02 1.15 -1.40 0.00 0.00 179.01 179.26 3kd2 h THR 190 N 0.81 1.26 -0.02 1.13 2.02 -0.97 -0.65 112.91 116.50 3kd2 h THR 190 Ca 0.31 -1.09 -0.22 0.00 0.77 0.00 0.00 66.41 66.17 3kd2 h THR 190 Cb 0.11 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3kd2 h THR 190 CO -0.15 0.38 -0.90 -0.07 0.37 0.00 0.00 175.52 175.15 3kd2 h LEU 191 N 0.68 0.58 0.00 2.58 3.38 -1.15 -3.35 115.31 118.04 3kd2 h LEU 191 Ca 0.13 -0.45 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3kd2 h LEU 191 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kd2 h LEU 191 CO 0.03 1.23 -1.18 0.40 0.09 0.00 0.00 178.44 179.01 3kd2 h ILE 192 N 0.27 0.82 -2.23 1.22 2.04 -1.01 -3.44 117.51 115.18 3kd2 h ILE 192 Ca -0.07 -2.37 -0.59 0.00 1.00 0.00 0.00 64.86 62.82 3kd2 h ILE 192 Cb 1.53 2.31 0.06 0.00 -0.74 0.00 0.00 36.82 39.97 3kd2 h ILE 192 CO 0.16 0.47 0.75 0.00 0.00 0.00 0.00 178.15 179.53 3kd2 n ALA 193 N -2.37 1.10 -0.17 1.87 0.00 -0.26 -0.18 120.51 120.50 3kd2 n ALA 193 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3kd2 n ALA 193 Cb 0.86 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 3.26 1.58 1.18 0.00 0.00 -1.26 -4.81 105.19 105.13 3kd2 n GLY 194 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.16 -0.13 1.61 4.76 0.75 -4.92 118.16 118.38 3kd2 n LYS 195 Ca 0.00 -1.90 -0.09 0.00 -2.87 0.00 0.00 58.31 53.45 3kd2 n LYS 195 Cb 0.00 -0.27 -0.01 0.00 -1.84 0.00 0.00 35.03 32.91 3kd2 n LYS 195 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kd2 h GLU 196 N 0.76 0.56 -0.23 1.97 3.07 -1.76 -0.74 114.58 118.21 3kd2 h GLU 196 Ca -0.16 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3kd2 h GLU 196 Cb 1.70 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.49 3kd2 h GLU 196 CO 0.07 0.47 0.13 -0.09 -1.40 0.00 0.00 179.01 178.19 3kd2 h ARG 197 N 0.50 0.32 -0.21 2.33 9.65 -1.90 -0.84 114.38 124.23 3kd2 h ARG 197 Ca 0.14 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3kd2 h ARG 197 Cb 0.09 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3kd2 h ARG 197 CO -0.02 0.28 0.10 0.35 2.80 0.00 0.00 179.97 183.48 3kd2 h PHE 198 N 0.27 0.19 -0.28 2.20 3.57 -1.89 -1.70 116.94 119.30 3kd2 h PHE 198 Ca 0.08 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3kd2 h PHE 198 Cb 0.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3kd2 h PHE 198 CO -0.04 0.11 0.00 0.35 -2.23 0.00 0.00 178.31 176.51 3kd2 h PHE 199 N 0.22 0.53 -0.73 0.41 3.57 -1.04 -2.64 116.94 117.27 3kd2 h PHE 199 Ca 0.08 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3kd2 h PHE 199 Cb 0.02 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3kd2 h PHE 199 CO -0.09 0.63 0.25 1.25 -2.23 0.00 0.00 178.31 178.12 3kd2 h LEU 200 N 0.27 1.03 -0.61 0.59 5.85 -1.06 0.11 115.31 121.48 3kd2 h LEU 200 Ca 0.08 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3kd2 h LEU 200 Cb 0.42 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3kd2 h LEU 200 CO 0.01 0.94 0.28 -0.08 -0.34 0.00 0.00 178.44 179.25 3kd2 h GLU 201 N 1.07 0.88 -0.34 1.25 4.81 -1.27 0.94 114.58 121.92 3kd2 h GLU 201 Ca 0.24 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kd2 h GLU 201 Cb 0.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3kd2 h GLU 201 CO -0.01 0.72 0.11 1.25 -0.73 0.00 0.00 179.01 180.35 3kd2 h HIS 202 N 0.84 0.54 -0.04 0.92 2.76 -1.03 -1.19 115.15 117.96 3kd2 h HIS 202 Ca 0.21 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3kd2 h HIS 202 Cb 0.14 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3kd2 h HIS 202 CO 0.00 0.53 0.02 0.35 -1.30 0.00 0.00 177.93 177.54 3kd2 h PHE 203 N 0.40 0.05 -0.13 5.26 3.04 -0.54 0.14 116.94 125.16 3kd2 h PHE 203 Ca 0.11 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3kd2 h PHE 203 Cb 0.24 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 3kd2 h PHE 203 CO 0.01 0.11 0.08 0.82 -2.02 0.00 0.00 178.31 177.31 3kd2 h ILE 204 N -0.02 1.05 0.00 1.41 2.04 -0.80 -2.81 117.51 118.37 3kd2 h ILE 204 Ca 0.01 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3kd2 h ILE 204 Cb 0.08 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kd2 h ILE 204 CO -0.00 0.04 -0.47 0.11 0.00 0.00 0.00 178.15 177.83 3kd2 h LYS 205 N 0.16 0.00 0.00 2.37 1.57 -1.09 -2.24 116.57 117.33 3kd2 h LYS 205 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kd2 h LYS 205 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kd2 h LYS 205 CO -0.01 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 180.00 3kd2 h SER 206 N 0.00 0.00 -0.36 0.86 4.64 -0.84 -2.79 113.55 115.06 3kd2 h SER 206 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kd2 h SER 206 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3kd2 h SER 206 CO 0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.43 3kd2 n HIS 207 N -2.95 0.75 -4.25 4.77 8.25 -0.89 -4.61 115.22 116.28 3kd2 n HIS 207 Ca 0.02 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 3kd2 n HIS 207 Cb 0.34 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.73 3.07 -0.18 -1.41 0.00 -0.91 -1.01 121.76 119.59 3kd2 s ALA 208 Ca 0.33 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 3kd2 s ALA 208 Cb 0.22 -1.04 -0.21 0.00 0.00 0.00 0.00 23.12 22.09 3kd2 s ALA 208 CO 0.15 0.65 0.24 0.43 0.00 0.00 0.00 175.76 177.23 3kd2 n SER 209 N 0.85 1.96 -4.16 0.00 7.64 -0.97 -4.60 113.62 114.34 3kd2 n SER 209 Ca -0.13 0.34 -0.39 0.00 1.01 0.00 0.00 58.87 59.70 3kd2 n SER 209 Cb 0.52 -0.92 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 3kd2 n SER 209 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kd2 s ASN 210 N -6.95 5.53 0.29 6.43 3.84 -1.26 -4.92 114.94 117.90 3kd2 s ASN 210 Ca -0.27 -2.33 0.26 0.00 0.21 0.00 0.00 52.86 50.73 3kd2 s ASN 210 Cb 0.07 -1.93 0.79 0.00 -0.55 0.00 0.00 41.25 39.62 3kd2 s ASN 210 CO 0.65 -0.54 1.75 0.71 -2.79 0.00 0.00 177.10 176.88 3kd2 h THR 211 N 5.79 0.00 -0.09 -5.21 1.35 -1.92 -3.28 112.91 109.55 3kd2 h THR 211 Ca -0.10 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 3kd2 h THR 211 Cb 1.02 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3kd2 h THR 211 CO 0.76 0.00 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.66 3kd2 h GLU 212 N 0.00 0.12 0.00 4.72 4.39 -2.01 -2.14 114.58 119.66 3kd2 h GLU 212 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kd2 h GLU 212 Cb 0.71 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3kd2 h GLU 212 CO 0.00 0.18 0.00 1.33 -1.16 0.00 0.00 179.01 179.36 3kd2 n VAL 213 N -4.42 0.99 -3.43 3.13 0.24 -1.24 -4.21 118.33 109.40 3kd2 n VAL 213 Ca -0.02 0.25 -0.44 0.00 -2.04 0.00 0.00 64.34 62.10 3kd2 n VAL 213 Cb 0.17 -1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 3kd2 n VAL 213 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kd2 s PHE 214 N -3.04 3.59 0.80 6.34 0.08 -0.81 -4.98 117.98 119.96 3kd2 s PHE 214 Ca 0.06 -2.03 -0.12 0.00 0.12 0.00 0.00 56.93 54.97 3kd2 s PHE 214 Cb 0.09 -3.66 0.08 0.00 -0.57 0.00 0.00 43.02 38.96 3kd2 s PHE 214 CO 0.28 -0.96 1.14 -1.54 -0.10 0.00 0.00 175.22 174.03 3kd2 s SER 215 N 2.12 3.96 0.34 1.36 1.04 -1.26 -4.85 113.70 116.41 3kd2 s SER 215 Ca 0.14 2.10 0.05 0.00 0.48 0.00 0.00 55.95 58.73 3kd2 s SER 215 Cb -0.17 -2.56 0.70 0.00 0.10 0.00 0.00 66.02 64.10 3kd2 s SER 215 CO -0.05 -2.41 1.92 -0.33 0.98 0.00 0.00 173.24 173.35 3kd2 h GLU 216 N -1.03 0.79 -0.29 4.02 4.39 -1.97 -2.06 114.58 118.43 3kd2 h GLU 216 Ca -0.45 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 3kd2 h GLU 216 Cb 1.26 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3kd2 h GLU 216 CO 0.48 0.52 0.14 -0.09 -1.16 0.00 0.00 179.01 178.91 3kd2 h ARG 217 N 0.82 0.42 -0.64 2.33 9.65 -1.99 -0.96 114.38 124.01 3kd2 h ARG 217 Ca 0.37 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.16 3kd2 h ARG 217 Cb 0.35 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 3kd2 h ARG 217 CO -0.14 0.40 0.29 1.25 2.80 0.00 0.00 179.97 184.57 3kd2 h LEU 218 N 0.34 0.86 -0.95 3.80 5.85 -1.78 -1.71 115.31 121.72 3kd2 h LEU 218 Ca 0.10 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kd2 h LEU 218 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3kd2 h LEU 218 CO -0.01 0.77 0.53 -0.07 -0.34 0.00 0.00 178.44 179.32 3kd2 h LEU 219 N 0.89 1.12 -0.55 2.25 3.38 -1.22 -2.10 115.31 119.08 3kd2 h LEU 219 Ca 0.22 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kd2 h LEU 219 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3kd2 h LEU 219 CO -0.02 0.88 0.35 0.44 0.09 0.00 0.00 178.44 180.18 3kd2 h ASP 220 N 1.28 0.60 -0.04 -0.43 3.32 -0.61 -0.28 116.42 120.27 3kd2 h ASP 220 Ca 0.33 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kd2 h ASP 220 Cb -0.02 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kd2 h ASP 220 CO -0.06 0.43 0.02 -0.07 -1.72 0.00 0.00 179.24 177.85 3kd2 h LEU 221 N 0.72 0.05 -0.53 1.55 3.38 -0.88 -1.23 115.31 118.37 3kd2 h LEU 221 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3kd2 h LEU 221 Cb -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kd2 h LEU 221 CO -0.06 0.14 0.15 1.88 0.09 0.00 0.00 178.44 180.64 3kd2 h TYR 222 N -0.04 0.86 -0.73 1.13 0.05 -1.31 -2.77 116.97 114.15 3kd2 h TYR 222 Ca 0.01 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3kd2 h TYR 222 Cb 0.10 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3kd2 h TYR 222 CO -0.04 0.75 0.44 0.00 -1.05 0.00 0.00 178.16 178.26 3kd2 h ALA 223 N 1.02 0.94 -0.29 3.88 0.00 -0.93 -2.47 119.26 121.40 3kd2 h ALA 223 Ca 0.17 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3kd2 h ALA 223 Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kd2 h ALA 223 CO -0.00 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.54 3kd2 h ARG 224 N 1.00 0.49 0.14 0.00 -0.00 -1.11 -1.66 114.38 113.25 3kd2 h ARG 224 Ca 0.26 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.98 59.60 3kd2 h ARG 224 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.88 3kd2 h ARG 224 CO -0.05 0.60 -0.07 1.03 0.00 0.00 0.00 179.97 181.49 3kd2 h SER 225 N 0.46 -0.16 0.71 7.04 0.87 -1.19 -3.22 113.55 118.06 3kd2 h SER 225 Ca 0.09 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3kd2 h SER 225 Cb 0.47 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3kd2 h SER 225 CO 0.03 0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.58 3kd2 n TYR 226 N -4.99 0.00 0.23 2.24 -0.00 -0.96 -2.77 117.16 110.91 3kd2 n TYR 226 Ca -0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.94 3kd2 n TYR 226 Cb 0.24 -0.38 0.32 0.00 -0.00 0.00 0.00 39.34 39.52 3kd2 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kd2 h ALA 227 N 3.15 0.99 -1.87 -3.48 0.00 -1.30 -2.23 119.26 114.51 3kd2 h ALA 227 Ca 0.00 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.23 3kd2 h ALA 227 Cb 0.36 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kd2 h ALA 227 CO 0.00 0.04 0.72 1.63 0.00 0.00 0.00 179.25 181.64 3kd2 n LYS 228 N -3.11 1.58 -0.23 0.00 5.02 -1.12 -4.71 118.16 115.59 3kd2 n LYS 228 Ca 0.03 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 3kd2 n LYS 228 Cb 0.47 -2.29 0.15 0.00 -0.02 0.00 0.00 35.03 33.35 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 6.09 0.25 0.00 1.97 0.11 -1.92 0.26 132.00 138.76 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 1.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kd2 h PRO 229 CO 0.87 0.16 -0.24 1.12 -0.21 0.00 0.00 178.00 179.70 3kd2 h HIS 230 N 0.25 0.00 0.17 0.65 2.07 -1.92 -2.24 115.15 114.13 3kd2 h HIS 230 Ca 0.38 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.60 3kd2 h HIS 230 Cb 0.61 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.61 3kd2 h HIS 230 CO -0.27 0.24 -1.32 0.77 -3.07 0.00 0.00 177.93 174.28 3kd2 h SER 231 N 0.00 0.55 -0.42 3.10 0.02 -0.74 -0.91 113.55 115.15 3kd2 h SER 231 Ca -0.00 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 3kd2 h SER 231 Cb 0.54 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3kd2 h SER 231 CO 0.03 1.46 0.18 0.25 -1.14 0.00 0.00 176.83 177.62 3kd2 h LEU 232 N 0.10 0.56 -0.14 5.07 5.85 -0.04 -0.57 115.31 126.14 3kd2 h LEU 232 Ca -0.17 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3kd2 h LEU 232 Cb 2.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 3kd2 h LEU 232 CO 0.23 0.56 0.01 -1.13 -0.34 0.00 0.00 178.44 177.76 3kd2 h ASN 233 N 0.53 0.23 -0.66 1.25 -0.73 -1.47 -3.09 115.58 111.64 3kd2 h ASN 233 Ca 0.14 -0.29 0.09 0.00 1.87 0.00 0.00 56.30 58.12 3kd2 h ASN 233 Cb 0.16 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 38.62 3kd2 h ASN 233 CO -0.01 0.46 0.30 0.00 -0.37 0.00 0.00 177.43 177.81 3kd2 h ALA 234 N 0.78 0.89 -0.70 1.57 0.00 -1.06 -1.20 119.26 119.54 3kd2 h ALA 234 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.16 3kd2 h ALA 234 Cb 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 3kd2 h ALA 234 CO 0.01 -0.11 -0.14 0.77 0.00 0.00 0.00 179.25 179.78 3kd2 h SER 235 N 0.52 -0.58 1.41 0.00 0.02 -1.02 -2.28 113.55 111.62 3kd2 h SER 235 Ca 0.33 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.44 3kd2 h SER 235 Cb 0.37 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3kd2 h SER 235 CO -0.28 -0.22 -0.61 -0.26 -1.14 0.00 0.00 176.83 174.32 3kd2 h PHE 236 N 0.02 0.00 0.00 3.45 0.04 -1.29 -3.22 116.94 115.93 3kd2 h PHE 236 Ca 0.35 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.08 3kd2 h PHE 236 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3kd2 h PHE 236 CO -0.53 0.19 -0.17 0.93 -0.60 0.00 0.00 178.31 178.13 3kd2 h GLU 237 N 0.00 0.00 -0.49 1.51 4.39 -0.65 -0.37 114.58 118.97 3kd2 h GLU 237 Ca -0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kd2 h GLU 237 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3kd2 h GLU 237 CO 0.02 0.17 0.33 1.88 -1.16 0.00 0.00 179.01 180.25 3kd2 h TYR 238 N 0.00 0.61 0.02 4.33 0.05 -1.54 -1.61 116.97 118.83 3kd2 h TYR 238 Ca -0.00 0.01 -0.25 0.00 0.05 0.00 0.00 58.73 58.54 3kd2 h TYR 238 Cb 0.31 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 3kd2 h TYR 238 CO 0.00 0.38 -1.30 1.88 -1.05 0.00 0.00 178.16 178.07 3kd2 h TYR 239 N 0.65 0.09 0.00 4.88 0.05 -1.32 -2.99 116.97 118.32 3kd2 h TYR 239 Ca 0.18 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3kd2 h TYR 239 Cb -0.05 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3kd2 h TYR 239 CO -0.00 1.07 0.00 0.00 -1.05 0.00 0.00 178.16 178.18 3kd2 h ARG 240 N 0.01 0.00 -0.24 4.88 3.08 -0.65 -2.01 114.38 119.46 3kd2 h ARG 240 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3kd2 h ARG 240 Cb 1.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.94 3kd2 h ARG 240 CO 0.12 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3kd2 n ALA 241 N -1.91 2.41 -0.11 0.04 0.00 -0.65 -4.67 120.51 115.62 3kd2 n ALA 241 Ca 0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 3kd2 n ALA 241 Cb 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 3.65 0.34 -1.08 0.00 5.85 -1.21 -0.11 115.31 122.74 3kd2 h LEU 242 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3kd2 h LEU 242 Cb 0.83 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3kd2 h LEU 242 CO 0.00 0.25 0.24 0.78 -0.34 0.00 0.00 178.44 179.37 3kd2 h ASN 243 N 0.43 0.82 -0.75 1.25 -0.26 -1.83 0.25 115.58 115.48 3kd2 h ASN 243 Ca 0.14 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3kd2 h ASN 243 Cb 0.00 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.02 3kd2 h ASN 243 CO -0.06 0.74 0.32 -0.08 -1.06 0.00 0.00 177.43 177.29 3kd2 h GLU 244 N 0.88 1.11 -0.73 0.81 4.81 -1.71 -1.51 114.58 118.23 3kd2 h GLU 244 Ca 0.21 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3kd2 h GLU 244 Cb 0.18 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3kd2 h GLU 244 CO -0.02 0.89 0.24 0.77 -0.73 0.00 0.00 179.01 180.16 3kd2 h SER 245 N 1.07 1.06 -0.56 1.04 0.02 -0.26 -0.24 113.55 115.69 3kd2 h SER 245 Ca 0.25 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3kd2 h SER 245 Cb 0.18 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 3kd2 h SER 245 CO -0.03 0.98 0.30 0.58 -1.14 0.00 0.00 176.83 177.53 3kd2 h VAL 246 N 1.08 0.98 -0.59 2.27 2.07 -0.64 0.10 116.25 121.52 3kd2 h VAL 246 Ca 0.24 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3kd2 h VAL 246 Cb 0.30 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kd2 h VAL 246 CO -0.01 0.11 0.01 0.03 0.02 0.00 0.00 177.57 177.73 3kd2 h ARG 247 N 0.58 1.03 -0.34 1.57 3.08 -0.78 -1.91 114.38 117.61 3kd2 h ARG 247 Ca 0.24 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kd2 h ARG 247 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3kd2 h ARG 247 CO -0.15 1.00 0.20 1.96 -1.07 0.00 0.00 179.97 181.91 3kd2 h GLN 248 N 0.94 0.45 0.00 0.04 4.20 -0.67 -3.02 115.11 117.06 3kd2 h GLN 248 Ca 0.17 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3kd2 h GLN 248 Cb 0.53 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3kd2 h GLN 248 CO 0.03 0.34 -0.23 -0.91 -0.67 0.00 0.00 178.83 177.39 3kd2 h ASN 249 N 0.44 0.00 -0.74 1.46 2.35 -0.73 -2.16 115.58 116.20 3kd2 h ASN 249 Ca 0.12 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3kd2 h ASN 249 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3kd2 h ASN 249 CO -0.02 0.23 0.49 0.00 -1.65 0.00 0.00 177.43 176.47 3kd2 h ALA 250 N 1.77 1.53 0.14 -0.83 0.00 -1.21 0.30 119.26 120.95 3kd2 h ALA 250 Ca -0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 3kd2 h ALA 250 Cb 0.58 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kd2 h ALA 250 CO 0.03 0.42 -0.95 0.93 0.00 0.00 0.00 179.25 179.68 3kd2 h GLU 251 N 0.94 0.30 -0.52 0.00 4.39 -1.51 -3.36 114.58 114.83 3kd2 h GLU 251 Ca 0.28 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 3kd2 h GLU 251 Cb -0.02 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3kd2 h GLU 251 CO -0.07 1.24 0.23 -0.07 -1.16 0.00 0.00 179.01 179.18 3kd2 h LEU 252 N -0.34 0.66 0.00 1.33 3.38 -1.20 -2.87 115.31 116.27 3kd2 h LEU 252 Ca -0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kd2 h LEU 252 Cb 1.68 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3kd2 h LEU 252 CO 0.14 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3kd2 n ALA 253 N -2.46 2.01 0.33 1.53 0.00 0.08 -1.99 120.51 120.01 3kd2 n ALA 253 Ca 0.04 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.55 3kd2 n ALA 253 Cb 0.14 -1.22 0.61 0.00 0.00 0.00 0.00 19.45 18.97 3kd2 n ALA 253 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kd2 h LYS 254 N 0.00 0.00 -4.82 0.00 1.57 -1.71 -3.39 116.57 108.22 3kd2 h LYS 254 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kd2 h LYS 254 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.05 3kd2 h LYS 254 CO 0.00 0.00 -0.64 0.99 -0.57 0.00 0.00 179.45 179.23 3kd2 s THR 255 N -3.53 3.86 0.47 -0.16 2.01 -0.84 -5.09 115.64 112.36 3kd2 s THR 255 Ca 0.02 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 3kd2 s THR 255 Cb 0.09 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.54 3kd2 s THR 255 CO 0.49 0.11 1.06 -0.13 -0.69 0.00 0.00 174.62 175.45 3kd2 s ARG 256 N 1.49 3.84 0.07 4.92 1.81 -1.26 -5.01 118.95 124.81 3kd2 s ARG 256 Ca 0.03 1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 55.18 3kd2 s ARG 256 Cb -0.17 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.07 3kd2 s ARG 256 CO 0.02 -0.41 1.08 -0.51 -0.68 0.00 0.00 175.30 174.80 3kd2 s LEU 257 N -3.28 4.41 -0.01 2.53 1.43 0.45 -4.95 118.68 119.26 3kd2 s LEU 257 Ca 0.65 1.89 0.13 0.00 -1.03 0.00 0.00 54.13 55.77 3kd2 s LEU 257 Cb -0.19 -3.58 -0.17 0.00 0.03 0.00 0.00 46.19 42.28 3kd2 s LEU 257 CO 0.23 -0.30 0.46 0.00 0.23 0.00 0.00 176.35 176.98 3kd2 n GLN 258 N 3.46 1.88 -2.35 1.70 1.13 -1.26 -1.55 117.38 120.39 3kd2 n GLN 258 Ca 0.06 -0.04 -0.32 0.00 -1.94 0.00 0.00 57.00 54.75 3kd2 n GLN 258 Cb 0.48 -1.19 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 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 3.80 0.19 -1.09 0.23 -1.26 -4.71 119.30 113.98 3kd2 s MET 259 Ca 0.01 1.06 -0.33 0.00 -1.03 0.00 0.00 55.69 55.41 3kd2 s MET 259 Cb 0.09 -2.11 -0.13 0.00 -1.53 0.00 0.00 34.83 31.15 3kd2 s MET 259 CO 0.55 -0.40 1.62 -2.30 -2.03 0.00 0.00 175.02 172.45 3kd2 n PRO 260 N -1.58 2.40 -4.46 3.16 -0.02 -1.26 -4.58 135.00 128.67 3kd2 n PRO 260 Ca 0.07 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.22 3kd2 n PRO 260 Cb 0.54 -2.65 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 3kd2 n PRO 260 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kd2 s THR 261 N 0.86 0.93 -0.03 3.45 2.01 0.07 -1.41 115.64 121.53 3kd2 s THR 261 Ca 0.76 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.20 3kd2 s THR 261 Cb -0.60 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3kd2 s THR 261 CO 0.37 0.19 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.00 3kd2 s MET 262 N -0.47 1.65 0.06 4.92 1.75 0.34 -1.37 119.30 126.18 3kd2 s MET 262 Ca 0.04 -0.64 0.06 0.00 -1.25 0.00 0.00 55.69 53.89 3kd2 s MET 262 Cb -0.05 -1.51 -0.04 0.00 2.84 0.00 0.00 34.83 36.07 3kd2 s MET 262 CO -0.00 0.33 -0.09 0.95 -0.65 0.00 0.00 175.02 175.55 3kd2 s THR 263 N -0.22 3.42 0.03 10.11 -4.23 -0.16 -1.52 115.64 123.07 3kd2 s THR 263 Ca 0.02 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 3kd2 s THR 263 Cb -0.09 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3kd2 s THR 263 CO 0.01 0.24 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.41 3kd2 s LEU 264 N -1.85 2.14 -0.01 4.79 1.43 -0.70 -1.46 118.68 123.01 3kd2 s LEU 264 Ca 0.19 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3kd2 s LEU 264 Cb -0.11 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.43 3kd2 s LEU 264 CO 0.11 0.09 0.30 0.00 0.23 0.00 0.00 176.35 177.07 3kd2 s ALA 265 N -0.72 -0.75 0.21 4.21 0.00 -0.68 -2.21 121.76 121.83 3kd2 s ALA 265 Ca 0.04 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3kd2 s ALA 265 Cb -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 3kd2 s ALA 265 CO 0.01 -0.25 0.98 0.20 0.00 0.00 0.00 175.76 176.69 3kd2 s GLY 266 N -1.31 3.07 0.00 0.00 0.00 -1.24 -0.44 107.32 107.39 3kd2 s GLY 266 Ca -0.13 0.67 0.24 0.00 0.00 0.00 0.00 44.72 45.49 3kd2 s GLY 266 CO 0.04 1.32 1.24 0.61 0.00 0.00 0.00 173.10 176.31 3kd2 n GLY 267 N 1.65 -0.95 0.32 0.20 0.00 0.10 -1.74 105.19 104.78 3kd2 n GLY 267 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 1.47 1.20 3.66 -0.02 0.00 0.72 -4.76 105.19 107.46 3kd2 n GLY 268 Ca 0.06 -2.03 -0.46 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.35 2.23 -0.02 1.61 -0.00 -1.26 -1.76 115.22 114.66 3kd2 n HIS 269 Ca 0.01 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 3kd2 n HIS 269 Cb 0.05 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.51 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 3.33 0.86 3.95 1.57 0.00 -1.26 -2.30 105.19 111.33 3kd2 n GLY 270 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.95 1.71 0.15 -0.02 0.00 -0.72 -3.35 107.32 103.14 3kd2 s GLY 271 Ca 0.00 -1.07 0.23 0.00 0.00 0.00 0.00 44.72 43.89 3kd2 s GLY 271 CO 0.00 -0.77 1.22 -0.33 0.00 0.00 0.00 173.10 173.22 3kd2 h MET 272 N -0.10 0.00 0.00 2.90 2.07 -1.85 -3.47 114.93 114.48 3kd2 h MET 272 Ca -0.44 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.19 3kd2 h MET 272 Cb 1.29 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.02 3kd2 h MET 272 CO 0.57 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.96 3kd2 n GLY 273 N 1.28 3.03 0.11 8.32 0.00 -0.71 -2.38 105.19 114.84 3kd2 n GLY 273 Ca 0.02 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.83 -0.24 2.61 -2.24 -1.26 -3.45 114.28 110.53 3kd2 n THR 274 Ca 0.00 0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3kd2 n THR 274 Cb 0.00 -1.11 0.12 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.71 0.17 4.78 3.04 -1.90 -2.44 116.94 121.29 3kd2 h PHE 275 Ca 0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3kd2 h PHE 275 Cb 0.37 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3kd2 h PHE 275 CO 0.00 0.32 -0.30 0.37 -2.02 0.00 0.00 178.31 176.68 3kd2 h GLN 276 N 0.70 -0.53 -0.41 1.11 5.75 -1.74 -0.74 115.11 119.25 3kd2 h GLN 276 Ca 0.32 0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.79 3kd2 h GLN 276 Cb 0.24 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 3kd2 h GLN 276 CO -0.21 -0.35 -0.03 1.25 -2.65 0.00 0.00 178.83 176.84 3kd2 h LEU 277 N -0.55 0.73 -0.64 -2.39 5.85 -1.79 -2.05 115.31 114.48 3kd2 h LEU 277 Ca 0.02 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3kd2 h LEU 277 Cb 0.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kd2 h LEU 277 CO -0.15 0.88 0.37 -0.33 -0.34 0.00 0.00 178.44 178.88 3kd2 h GLU 278 N 0.56 0.88 -0.35 1.25 4.39 -1.20 0.70 114.58 120.83 3kd2 h GLU 278 Ca 0.11 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3kd2 h GLU 278 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3kd2 h GLU 278 CO 0.03 0.65 0.10 0.37 -1.16 0.00 0.00 179.01 179.00 3kd2 h GLN 279 N 0.87 0.54 -0.22 2.33 4.15 -1.15 -3.11 115.11 118.52 3kd2 h GLN 279 Ca 0.23 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3kd2 h GLN 279 Cb 0.01 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3kd2 h GLN 279 CO -0.04 0.58 0.10 1.98 -1.93 0.00 0.00 178.83 179.51 3kd2 h MET 280 N 0.41 0.30 -0.34 1.69 4.05 -0.62 -0.13 114.93 120.29 3kd2 h MET 280 Ca 0.11 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 3kd2 h MET 280 Cb 0.27 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 3kd2 h MET 280 CO -0.00 0.25 0.24 0.87 0.23 0.00 0.00 176.91 178.49 3kd2 h LYS 281 N 0.31 0.11 0.00 0.39 1.57 -0.81 0.12 116.57 118.26 3kd2 h LYS 281 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kd2 h LYS 281 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kd2 h LYS 281 CO -0.01 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 3kd2 h ALA 282 N 1.83 1.00 0.00 3.86 0.00 -1.09 -3.33 119.26 121.53 3kd2 h ALA 282 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 3kd2 h ALA 282 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3kd2 h ALA 282 CO -0.02 0.00 -2.07 0.66 0.00 0.00 0.00 179.25 177.83 3kd2 n TYR 283 N -3.07 0.00 -5.14 0.00 4.02 -0.02 -5.01 117.16 107.94 3kd2 n TYR 283 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.61 3kd2 n TYR 283 Cb 0.39 -0.76 -0.16 0.00 -0.02 0.00 0.00 39.34 38.80 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 -2.38 2.08 0.11 -0.72 0.00 0.23 -0.41 121.76 120.67 3kd2 s ALA 284 Ca -0.11 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 3kd2 s ALA 284 Cb 0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 23.12 22.51 3kd2 s ALA 284 CO 0.60 0.50 1.25 0.93 0.00 0.00 0.00 175.76 179.04 3kd2 h GLU 285 N 5.34 0.33 -3.14 0.00 4.39 -1.58 -3.42 114.58 116.49 3kd2 h GLU 285 Ca -0.43 -0.43 -0.62 0.00 0.34 0.00 0.00 59.36 58.22 3kd2 h GLU 285 Cb 1.13 0.14 -0.41 0.00 -0.10 0.00 0.00 28.75 29.51 3kd2 h GLU 285 CO 0.46 1.13 -0.69 0.34 -1.16 0.00 0.00 179.01 179.10 3kd2 s ASP 286 N -7.09 3.96 -0.00 1.42 2.15 -1.26 -5.08 116.67 110.76 3kd2 s ASP 286 Ca -0.05 -2.89 0.01 0.00 0.43 0.00 0.00 52.55 50.05 3kd2 s ASP 286 Cb 0.08 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 3kd2 s ASP 286 CO 0.87 -0.24 -0.02 0.54 -0.17 0.00 0.00 175.17 176.15 3kd2 s VAL 287 N -0.05 0.19 0.11 1.11 0.11 -1.26 -0.75 120.40 119.86 3kd2 s VAL 287 Ca 0.18 -0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.24 3kd2 s VAL 287 Cb -0.23 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 3kd2 s VAL 287 CO -0.02 0.06 -0.23 -1.83 -3.33 0.00 0.00 175.10 169.76 3kd2 s GLU 288 N 0.03 1.23 0.07 1.54 -1.05 -0.47 -4.99 118.70 115.06 3kd2 s GLU 288 Ca 0.00 -1.21 0.02 0.00 -0.15 0.00 0.00 54.97 53.63 3kd2 s GLU 288 Cb -0.02 -1.56 -0.03 0.00 -0.44 0.00 0.00 34.13 32.08 3kd2 s GLU 288 CO -0.00 0.37 -0.07 0.20 0.95 0.00 0.00 175.26 176.70 3kd2 s GLY 289 N -1.91 0.64 -0.00 -3.83 0.00 -1.26 -0.99 107.32 99.97 3kd2 s GLY 289 Ca 0.09 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3kd2 s GLY 289 CO 0.05 -1.14 -0.03 0.30 0.00 0.00 0.00 173.10 172.28 3kd2 s HIS 290 N -2.49 0.27 -0.17 1.90 3.76 -0.53 -4.95 115.29 113.09 3kd2 s HIS 290 Ca 0.01 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.84 3kd2 s HIS 290 Cb -0.02 -0.17 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 3kd2 s HIS 290 CO -0.02 -0.01 -0.05 0.08 -0.85 0.00 0.00 174.74 173.89 3kd2 s VAL 291 N -0.06 3.65 -0.42 -0.90 1.01 -1.26 -1.69 120.40 120.73 3kd2 s VAL 291 Ca 0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3kd2 s VAL 291 Cb -0.01 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kd2 s VAL 291 CO -0.00 0.48 0.38 -0.76 0.00 0.00 0.00 175.10 175.20 3kd2 s LEU 292 N 0.61 5.00 0.46 3.92 1.02 0.41 -4.79 118.68 125.31 3kd2 s LEU 292 Ca -0.03 -0.80 -0.25 0.00 0.02 0.00 0.00 54.13 53.07 3kd2 s LEU 292 Cb -0.15 -2.28 -0.08 0.00 0.02 0.00 0.00 46.19 43.70 3kd2 s LEU 292 CO 0.03 -0.53 1.38 -2.84 0.02 0.00 0.00 176.35 174.40 3kd2 s PRO 293 N 1.93 3.62 0.00 1.29 0.02 -1.26 0.02 135.00 140.62 3kd2 s PRO 293 Ca 0.09 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3kd2 s PRO 293 Cb -0.18 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3kd2 s PRO 293 CO 0.12 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3kd2 n GLY 294 N 0.62 0.44 2.94 0.52 0.00 -1.26 -4.85 105.19 103.59 3kd2 n GLY 294 Ca 0.06 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 2.56 0.80 0.08 0.00 0.00 -1.25 -0.20 105.19 107.18 3kd2 n GLY 296 Ca -0.16 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 0.17 -1.45 1.61 2.76 -1.08 -3.29 115.15 113.88 3kd2 h HIS 297 Ca 0.00 -0.12 -0.76 0.00 -2.20 0.00 0.00 60.37 57.29 3kd2 h HIS 297 Cb 0.00 -0.01 -0.16 0.00 1.55 0.00 0.00 27.41 28.79 3kd2 h HIS 297 CO 0.00 1.07 2.06 0.91 -1.30 0.00 0.00 177.93 180.67 3kd2 n TRP 298 N -3.44 2.65 -0.18 5.26 7.02 -1.26 -4.83 117.44 122.65 3kd2 n TRP 298 Ca -0.03 -2.76 -0.01 0.00 -1.02 0.00 0.00 57.50 53.68 3kd2 n TRP 298 Cb 0.95 -1.71 0.07 0.00 -2.42 0.00 0.00 31.31 28.20 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 5.56 -0.31 -2.23 -0.99 3.38 -1.95 0.24 115.31 119.01 3kd2 h LEU 299 Ca 0.62 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.78 3kd2 h LEU 299 Cb 0.35 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kd2 h LEU 299 CO 1.43 -0.12 0.14 -0.65 0.09 0.00 0.00 178.44 179.34 3kd2 h PRO 300 N 0.09 0.00 0.00 1.13 0.11 -1.87 0.26 132.00 131.71 3kd2 h PRO 300 Ca 0.28 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.05 3kd2 h PRO 300 Cb 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.49 3kd2 h PRO 300 CO -0.50 0.00 -2.27 0.39 -0.21 0.00 0.00 178.00 175.41 3kd2 n GLU 301 N -3.97 0.54 0.09 1.05 1.02 -0.45 -3.60 120.64 115.32 3kd2 n GLU 301 Ca 0.01 0.15 -0.03 0.00 -0.02 0.00 0.00 57.16 57.26 3kd2 n GLU 301 Cb 0.26 -1.41 0.18 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.22 0.24 -1.35 3.49 5.08 -0.53 -3.36 114.58 117.93 3kd2 h GLU 302 Ca -0.52 -0.13 -0.40 0.00 -1.00 0.00 0.00 59.36 57.31 3kd2 h GLU 302 Cb 1.70 0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.62 3kd2 h GLU 302 CO -0.15 0.68 -1.02 0.00 -1.00 0.00 0.00 179.01 177.52 3kd2 h ALA 304 N 2.94 0.08 0.68 0.00 0.00 -1.60 -1.89 119.26 119.48 3kd2 h ALA 304 Ca 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kd2 h ALA 304 Cb 1.05 0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3kd2 h ALA 304 CO 0.40 -0.52 -0.33 0.00 0.00 0.00 0.00 179.25 178.81 3kd2 h ALA 305 N 1.12 -0.91 -0.39 0.00 0.00 -1.91 0.22 119.26 117.40 3kd2 h ALA 305 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kd2 h ALA 305 Cb 0.23 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kd2 h ALA 305 CO -0.25 -1.00 0.22 -1.35 0.00 0.00 0.00 179.25 176.87 3kd2 h PRO 306 N -0.94 0.53 0.02 0.00 0.11 -1.97 -0.94 132.00 128.82 3kd2 h PRO 306 Ca -0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kd2 h PRO 306 Cb 0.71 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kd2 h PRO 306 CO 0.15 0.41 -0.01 1.98 -0.21 0.00 0.00 178.00 180.32 3kd2 h MET 307 N 0.50 -0.03 -0.40 1.05 4.05 -1.30 -1.03 114.93 117.77 3kd2 h MET 307 Ca 0.14 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.63 3kd2 h MET 307 Cb 0.03 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.77 3kd2 h MET 307 CO -0.02 -0.02 0.01 -0.91 0.23 0.00 0.00 176.91 176.19 3kd2 h ASN 308 N -0.03 -0.15 -0.07 1.39 -0.26 -0.40 -0.98 115.58 115.08 3kd2 h ASN 308 Ca -0.00 0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3kd2 h ASN 308 Cb 0.02 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3kd2 h ASN 308 CO 0.00 -0.04 -0.00 -0.09 -1.06 0.00 0.00 177.43 176.25 3kd2 h ARG 309 N 0.12 0.02 -0.62 0.81 9.65 -0.89 -0.23 114.38 123.24 3kd2 h ARG 309 Ca 0.20 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 3kd2 h ARG 309 Cb 0.27 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 3kd2 h ARG 309 CO -0.32 0.02 0.31 -0.07 2.80 0.00 0.00 179.97 182.70 3kd2 h LEU 310 N 0.03 0.81 0.10 3.80 3.38 -0.91 -0.66 115.31 121.85 3kd2 h LEU 310 Ca 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kd2 h LEU 310 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kd2 h LEU 310 CO -0.06 0.71 -0.05 0.58 0.09 0.00 0.00 178.44 179.72 3kd2 h VAL 311 N 0.86 1.01 -0.41 1.22 2.07 -1.04 -1.33 116.25 118.62 3kd2 h VAL 311 Ca 0.21 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kd2 h VAL 311 Cb 0.11 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3kd2 h VAL 311 CO -0.03 0.10 0.22 0.40 0.02 0.00 0.00 177.57 178.28 3kd2 h ILE 312 N -0.31 1.00 -0.32 4.57 2.04 -0.90 -0.80 117.51 122.78 3kd2 h ILE 312 Ca -0.01 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3kd2 h ILE 312 Cb 0.26 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3kd2 h ILE 312 CO 0.02 0.08 0.05 0.44 0.00 0.00 0.00 178.15 178.75 3kd2 h ASP 313 N 0.44 0.50 -0.45 1.72 3.32 -1.13 -0.07 116.42 120.75 3kd2 h ASP 313 Ca 0.17 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kd2 h ASP 313 Cb 0.06 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3kd2 h ASP 313 CO -0.11 0.63 0.28 0.15 -1.72 0.00 0.00 179.24 178.47 3kd2 h PHE 314 N 0.35 0.52 0.00 4.55 3.57 -1.00 -2.47 116.94 122.46 3kd2 h PHE 314 Ca 0.10 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3kd2 h PHE 314 Cb 0.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3kd2 h PHE 314 CO 0.02 0.31 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.88 3kd2 h LEU 315 N 0.56 0.00 -0.08 0.59 3.38 -1.05 -3.06 115.31 115.66 3kd2 h LEU 315 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kd2 h LEU 315 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kd2 h LEU 315 CO -0.06 0.47 -0.08 -1.20 0.09 0.00 0.00 178.44 177.65 3kd2 n SER 316 N -3.66 0.21 0.00 -0.43 7.64 -0.05 -5.09 113.62 112.24 3kd2 n SER 316 Ca -0.01 -0.17 0.11 0.00 1.01 0.00 0.00 58.87 59.82 3kd2 n SER 316 Cb 0.54 -0.21 0.67 0.00 -1.01 0.00 0.00 64.21 64.21 3kd2 n SER 316 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57