#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp1 s ARG 8 N 0.00 2.76 0.53 3.23 0.52 -1.26 -4.99 118.95 119.74 3kp1 s ARG 8 Ca 0.00 -0.58 0.23 0.00 -0.52 0.00 0.00 55.73 54.87 3kp1 s ARG 8 Cb 0.00 -2.57 1.45 0.00 0.52 0.00 0.00 34.95 34.35 3kp1 s ARG 8 CO 0.00 0.63 2.13 -0.39 0.02 0.00 0.00 175.30 177.69 3kp1 h VAL 9 N 4.33 0.75 -0.02 3.52 -1.51 -2.01 -2.05 116.25 119.26 3kp1 h VAL 9 Ca -0.47 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3kp1 h VAL 9 Cb 1.17 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3kp1 h VAL 9 CO 0.52 0.07 -0.22 -0.46 -1.23 0.00 0.00 177.57 176.26 3kp1 n ASN 10 N -4.00 2.18 -4.62 4.19 6.94 -1.26 -4.88 115.26 113.80 3kp1 n ASN 10 Ca -0.03 -1.60 -0.34 0.00 -0.02 0.00 0.00 54.58 52.59 3kp1 n ASN 10 Cb 0.16 0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.68 3kp1 n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kp1 s GLU 11 N -2.25 3.22 0.58 -3.83 2.02 -0.77 -5.10 118.70 112.57 3kp1 s GLU 11 Ca 0.25 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 3kp1 s GLU 11 Cb 0.19 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 3kp1 s GLU 11 CO 0.44 0.54 1.28 0.15 0.02 0.00 0.00 175.26 177.69 3kp1 s LYS 12 N -0.45 2.98 -0.11 1.61 1.02 -1.26 -4.63 119.74 118.90 3kp1 s LYS 12 Ca 0.08 2.02 -0.36 0.00 0.02 0.00 0.00 55.97 57.73 3kp1 s LYS 12 Cb -0.12 -2.05 -0.13 0.00 -0.52 0.00 0.00 37.83 35.00 3kp1 s LYS 12 CO 0.02 -1.25 1.78 1.28 -0.92 0.00 0.00 175.35 176.26 3kp1 n LEU 13 N -1.40 3.01 -4.51 3.17 4.77 -1.26 -4.91 117.00 115.87 3kp1 n LEU 13 Ca 0.13 1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 3kp1 n LEU 13 Cb 0.48 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3kp1 n LEU 13 CO 0.48 -0.24 1.19 -0.62 -1.33 0.00 0.00 177.39 176.87 3kp1 s ASP 14 N 3.39 6.48 0.17 -1.43 -1.08 -1.26 -4.88 116.67 118.06 3kp1 s ASP 14 Ca 0.92 -1.51 -0.12 0.00 -0.52 0.00 0.00 52.55 51.32 3kp1 s ASP 14 Cb -0.81 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 38.23 3kp1 s ASP 14 CO 0.54 -1.38 1.72 0.58 0.52 0.00 0.00 175.17 177.15 3kp1 h VAL 15 N 6.29 1.23 -0.75 1.11 2.07 -1.94 -2.03 116.25 122.23 3kp1 h VAL 15 Ca 0.08 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3kp1 h VAL 15 Cb 1.03 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3kp1 h VAL 15 CO 1.27 0.29 0.50 -0.08 0.02 0.00 0.00 177.57 179.57 3kp1 h GLU 16 N 0.84 0.87 -0.40 1.57 4.81 -1.99 -1.45 114.58 118.83 3kp1 h GLU 16 Ca 0.20 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3kp1 h GLU 16 Cb 0.23 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3kp1 h GLU 16 CO -0.01 0.57 -0.36 -0.97 -0.73 0.00 0.00 179.01 177.51 3kp1 h ASN 17 N 0.89 1.00 -0.83 1.04 -1.24 -1.88 -2.80 115.58 111.76 3kp1 h ASN 17 Ca 0.30 -0.44 0.09 0.00 0.71 0.00 0.00 56.30 56.96 3kp1 h ASN 17 Cb 0.09 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 38.80 3kp1 h ASN 17 CO -0.09 1.24 0.54 0.40 -1.29 0.00 0.00 177.43 178.23 3kp1 h ILE 18 N 0.77 0.96 0.00 2.57 2.04 -0.64 -1.30 117.51 121.92 3kp1 h ILE 18 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3kp1 h ILE 18 Cb 0.95 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3kp1 h ILE 18 CO 0.09 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.57 3kp1 n LEU 19 N -4.51 0.25 -4.74 1.44 4.77 -0.62 -4.74 117.00 108.85 3kp1 n LEU 19 Ca 0.14 0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 56.25 3kp1 n LEU 19 Cb 0.31 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 3kp1 n LEU 19 CO 0.32 -0.21 0.81 -0.54 -1.33 0.00 0.00 177.39 176.44 3kp1 s LYS 20 N -3.07 4.59 -1.45 3.23 1.02 -0.49 -4.01 119.74 119.55 3kp1 s LYS 20 Ca 0.09 1.78 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 3kp1 s LYS 20 Cb 0.13 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3kp1 s LYS 20 CO 0.43 0.08 0.32 -0.25 -0.92 0.00 0.00 175.35 175.01 3kp1 n ASP 21 N 2.03 -5.49 0.23 2.83 8.00 -1.26 -4.88 116.55 118.00 3kp1 n ASP 21 Ca 0.02 -0.16 0.07 0.00 0.71 0.00 0.00 54.79 55.43 3kp1 n ASP 21 Cb 0.45 -4.42 0.57 0.00 -0.02 0.00 0.00 41.12 37.70 3kp1 n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kp1 h LEU 22 N -0.74 0.00 -2.26 0.64 3.38 -1.85 -0.66 115.31 113.82 3kp1 h LEU 22 Ca -0.46 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3kp1 h LEU 22 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3kp1 h LEU 22 CO 0.51 0.18 0.21 -2.24 0.09 0.00 0.00 178.44 177.18 3kp1 h ASP 23 N 0.00 0.00 -0.01 -0.43 2.03 -1.93 -1.02 116.42 115.07 3kp1 h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kp1 h ASP 23 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3kp1 h ASP 23 CO 0.02 0.00 -0.49 0.29 -1.03 0.00 0.00 179.24 178.04 3kp1 n LYS 24 N -3.65 1.19 -2.17 4.15 4.76 -0.27 -4.95 118.16 117.23 3kp1 n LYS 24 Ca 0.01 -0.99 -0.42 0.00 -2.87 0.00 0.00 58.31 54.05 3kp1 n LYS 24 Cb 0.32 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3kp1 n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kp1 s TYR 25 N -2.49 3.21 -0.01 2.13 5.04 -0.39 -5.03 117.35 119.81 3kp1 s TYR 25 Ca 0.18 1.12 0.04 0.00 -2.44 0.00 0.00 57.07 55.97 3kp1 s TYR 25 Cb 0.18 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.82 3kp1 s TYR 25 CO 0.58 -2.15 -0.13 0.99 -1.34 0.00 0.00 175.55 173.50 3kp1 s THR 26 N 0.32 1.06 0.40 4.34 2.01 -1.26 -5.06 115.64 117.46 3kp1 s THR 26 Ca 0.59 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 3kp1 s THR 26 Cb -0.38 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 3kp1 s THR 26 CO 0.37 0.30 1.28 -2.16 -0.69 0.00 0.00 174.62 173.73 3kp1 s PRO 27 N -0.23 3.99 0.39 4.92 0.04 -1.26 -4.91 135.00 137.93 3kp1 s PRO 27 Ca 0.04 2.11 0.21 0.00 0.04 0.00 0.00 61.00 63.40 3kp1 s PRO 27 Cb -0.06 -2.75 0.51 0.00 0.04 0.00 0.00 34.50 32.23 3kp1 s PRO 27 CO -0.00 -0.46 1.65 1.57 0.04 0.00 0.00 177.00 179.80 3kp1 h LYS 28 N 2.69 0.00 -4.32 4.56 2.10 -1.95 -3.46 116.57 116.19 3kp1 h LYS 28 Ca -0.49 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 57.94 3kp1 h LYS 28 Cb 1.24 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.45 3kp1 h LYS 28 CO 0.63 0.26 -0.42 -0.98 -2.00 0.00 0.00 179.45 176.93 3kp1 s ARG 29 N -3.30 1.43 0.14 0.07 1.70 -1.26 -5.17 118.95 112.56 3kp1 s ARG 29 Ca 0.03 -1.58 0.05 0.00 -0.47 0.00 0.00 55.73 53.76 3kp1 s ARG 29 Cb 0.08 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3kp1 s ARG 29 CO 0.68 -0.53 -0.12 1.03 -1.08 0.00 0.00 175.30 175.28 3kp1 s ARG 30 N -3.92 1.05 0.00 3.89 1.81 -1.26 -4.70 118.95 115.81 3kp1 s ARG 30 Ca 0.34 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 3kp1 s ARG 30 Cb 0.04 -0.73 0.00 0.00 -0.45 0.00 0.00 34.95 33.80 3kp1 s ARG 30 CO 0.14 0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 3kp1 n GLY 31 N 0.08 -0.12 3.79 -3.53 0.00 -1.23 -4.97 105.19 99.21 3kp1 n GLY 31 Ca -0.12 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 3kp1 n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kp1 s TRP 32 N -2.83 3.74 -0.11 1.61 -0.11 -0.86 -4.74 118.94 115.65 3kp1 s TRP 32 Ca 0.00 1.59 0.03 0.00 1.22 0.00 0.00 56.10 58.94 3kp1 s TRP 32 Cb 0.00 -2.76 -0.00 0.00 -1.50 0.00 0.00 33.47 29.21 3kp1 s TRP 32 CO 0.00 0.35 -0.23 0.95 -4.62 0.00 0.00 176.95 173.41 3kp1 s THR 33 N -1.44 2.16 0.56 5.86 -4.23 -1.26 -5.02 115.64 112.28 3kp1 s THR 33 Ca 0.43 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 3kp1 s THR 33 Cb -0.19 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 3kp1 s THR 33 CO 0.24 0.56 0.90 0.26 -0.54 0.00 0.00 174.62 176.03 3kp1 s TRP 34 N 0.38 3.45 0.44 3.99 0.52 -1.26 -4.90 118.94 121.56 3kp1 s TRP 34 Ca -0.17 0.86 -0.22 0.00 0.02 0.00 0.00 56.10 56.59 3kp1 s TRP 34 Cb -0.18 -2.59 -0.09 0.00 -1.15 0.00 0.00 33.47 29.46 3kp1 s TRP 34 CO 0.08 -0.62 1.03 1.03 0.02 0.00 0.00 176.95 178.49 3kp1 s ARG 35 N -4.96 4.01 -0.24 4.98 0.52 -1.26 -5.04 118.95 116.96 3kp1 s ARG 35 Ca 0.52 1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 56.97 3kp1 s ARG 35 Cb -0.11 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3kp1 s ARG 35 CO 0.47 -0.25 0.30 -0.65 0.02 0.00 0.00 175.30 175.19 3kp1 s GLN 36 N -2.93 4.07 0.42 3.54 -1.52 -1.26 -5.01 119.66 116.97 3kp1 s GLN 36 Ca 0.63 -0.05 -0.26 0.00 -1.95 0.00 0.00 55.36 53.73 3kp1 s GLN 36 Cb -0.17 -3.59 -0.10 0.00 -0.22 0.00 0.00 33.01 28.93 3kp1 s GLN 36 CO 0.22 -0.10 1.38 -2.30 -0.25 0.00 0.00 175.29 174.24 3kp1 n PRO 37 N 4.75 2.23 -3.89 2.91 -0.02 -1.26 -1.04 135.00 138.69 3kp1 n PRO 37 Ca -0.11 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 3kp1 n PRO 37 Cb 0.51 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3kp1 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kp1 s ALA 38 N -1.17 2.96 0.30 3.55 0.00 -0.33 -4.67 121.76 122.40 3kp1 s ALA 38 Ca 0.59 -3.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.22 3kp1 s ALA 38 Cb -0.48 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 3kp1 s ALA 38 CO 0.59 -2.01 1.19 -1.21 0.00 0.00 0.00 175.76 174.32 3kp1 s GLU 39 N -0.03 4.52 -1.49 0.00 2.02 -1.26 -3.40 118.70 119.05 3kp1 s GLU 39 Ca 0.17 1.98 -0.04 0.00 0.02 0.00 0.00 54.97 57.10 3kp1 s GLU 39 Cb -0.25 -3.14 0.04 0.00 0.10 0.00 0.00 34.13 30.88 3kp1 s GLU 39 CO -0.01 0.04 0.46 0.09 0.02 0.00 0.00 175.26 175.86 3kp1 n ASN 40 N 1.06 -0.88 -4.73 -0.19 3.02 -0.99 -4.89 115.26 107.66 3kp1 n ASN 40 Ca -0.01 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 3kp1 n ASN 40 Cb 0.43 -2.85 -0.04 0.00 -0.61 0.00 0.00 39.78 36.71 3kp1 n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kp1 s LEU 41 N -7.08 4.43 -0.11 3.41 2.96 -1.11 -4.78 118.68 116.41 3kp1 s LEU 41 Ca 0.17 1.56 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 3kp1 s LEU 41 Cb -0.09 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3kp1 s LEU 41 CO 0.91 -0.07 0.42 -1.58 -1.32 0.00 0.00 176.35 174.71 3kp1 s GLN 42 N 0.25 4.25 -0.04 1.98 0.74 -1.26 -0.31 119.66 125.26 3kp1 s GLN 42 Ca 0.43 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.21 3kp1 s GLN 42 Cb -0.21 -3.40 0.02 0.00 1.10 0.00 0.00 33.01 30.52 3kp1 s GLN 42 CO 0.25 0.27 -0.06 -1.64 -0.55 0.00 0.00 175.29 173.56 3kp1 s MET 43 N 0.31 0.93 3.88 1.67 -1.94 -0.29 -4.99 119.30 118.86 3kp1 s MET 43 Ca 0.23 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 3kp1 s MET 43 Cb -0.15 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.80 3kp1 s MET 43 CO 0.09 -0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3kp1 n GLY 44 N 3.96 2.70 0.00 -0.03 0.00 -1.26 -1.72 105.19 108.84 3kp1 n GLY 44 Ca -0.25 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3kp1 n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kp1 n PRO 45 N 14.00 0.28 -4.32 1.61 -0.02 -1.26 -4.92 135.00 140.36 3kp1 n PRO 45 Ca 0.00 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 3kp1 n PRO 45 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 3kp1 n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kp1 s PHE 46 N -2.70 2.48 -0.12 6.00 0.08 -0.70 -5.11 117.98 117.91 3kp1 s PHE 46 Ca 0.22 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.84 3kp1 s PHE 46 Cb 0.19 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.27 3kp1 s PHE 46 CO 0.45 0.38 0.36 0.42 -0.10 0.00 0.00 175.22 176.73 3kp1 s ILE 47 N -1.16 5.24 -0.12 0.64 1.01 -1.26 -1.14 121.20 124.42 3kp1 s ILE 47 Ca 0.17 0.69 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 3kp1 s ILE 47 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3kp1 s ILE 47 CO 0.09 0.41 0.05 -0.31 0.00 0.00 0.00 174.94 175.18 3kp1 s TYR 48 N 0.25 3.31 -0.12 3.97 2.02 0.57 -4.95 117.35 122.40 3kp1 s TYR 48 Ca 0.20 0.26 0.18 0.00 -0.37 0.00 0.00 57.07 57.34 3kp1 s TYR 48 Cb -0.14 -1.89 -0.22 0.00 -0.40 0.00 0.00 41.96 39.31 3kp1 s TYR 48 CO 0.07 0.48 0.51 1.63 -1.57 0.00 0.00 175.55 176.67 3kp1 n LYS 49 N 2.38 0.65 -2.20 -0.62 4.76 -1.26 -2.34 118.16 119.54 3kp1 n LYS 49 Ca -0.19 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.13 3kp1 n LYS 49 Cb 0.54 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 3kp1 n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kp1 n ASP 50 N -2.74 4.30 -4.94 4.39 8.00 -1.26 -4.61 116.55 119.69 3kp1 n ASP 50 Ca -0.16 -3.44 -0.25 0.00 0.71 0.00 0.00 54.79 51.64 3kp1 n ASP 50 Cb 0.90 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3kp1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kp1 s ALA 51 N -3.63 3.95 0.51 2.24 0.00 -1.26 -3.42 121.76 120.14 3kp1 s ALA 51 Ca 0.46 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3kp1 s ALA 51 Cb 0.39 -1.75 0.04 0.00 0.00 0.00 0.00 23.12 21.80 3kp1 s ALA 51 CO 0.01 0.47 0.33 -1.13 0.00 0.00 0.00 175.76 175.44 3kp1 n SER 52 N -0.74 2.72 -4.70 0.00 3.41 0.01 -1.18 113.62 113.14 3kp1 n SER 52 Ca -0.07 -2.80 -0.44 0.00 -0.26 0.00 0.00 58.87 55.30 3kp1 n SER 52 Cb 0.55 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3kp1 n SER 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kp1 n THR 53 N -1.63 0.08 -1.74 6.66 -1.04 -0.20 -4.44 114.28 111.96 3kp1 n THR 53 Ca -0.04 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 3kp1 n THR 53 Cb 0.58 -1.78 0.06 0.00 -1.82 0.00 0.00 70.33 67.38 3kp1 n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kp1 s PRO 54 N 0.93 2.62 0.54 -2.82 0.02 -1.26 -4.80 135.00 130.23 3kp1 s PRO 54 Ca 0.76 1.71 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 3kp1 s PRO 54 Cb -0.58 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 3kp1 s PRO 54 CO 0.36 -1.45 1.04 -0.51 -0.33 0.00 0.00 177.00 176.10 3kp1 s LEU 55 N -4.64 3.65 0.07 -5.54 1.43 -1.26 -4.98 118.68 107.41 3kp1 s LEU 55 Ca 0.74 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 3kp1 s LEU 55 Cb -0.28 -4.54 -0.26 0.00 0.03 0.00 0.00 46.19 41.15 3kp1 s LEU 55 CO 0.39 -0.91 1.14 -0.33 0.23 0.00 0.00 176.35 176.87 3kp1 h GLU 56 N 0.96 0.52 -4.16 1.70 5.08 -0.88 -3.44 114.58 114.36 3kp1 h GLU 56 Ca -0.48 -0.71 -0.44 0.00 -1.00 0.00 0.00 59.36 56.73 3kp1 h GLU 56 Cb 1.21 0.24 -0.34 0.00 0.50 0.00 0.00 28.75 30.36 3kp1 h GLU 56 CO 0.59 1.31 -0.78 -0.80 -1.00 0.00 0.00 179.01 178.32 3kp1 s ASN 57 N -7.33 1.23 0.31 1.42 0.01 -1.11 -5.01 114.94 104.45 3kp1 s ASN 57 Ca -0.08 -0.18 -0.19 0.00 -0.71 0.00 0.00 52.86 51.70 3kp1 s ASN 57 Cb 0.06 -0.56 0.05 0.00 0.41 0.00 0.00 41.25 41.21 3kp1 s ASN 57 CO 0.91 -0.04 0.81 -0.94 -1.51 0.00 0.00 177.10 176.34 3kp1 s SER 58 N 0.91 -0.09 -0.25 -1.22 1.04 -1.26 -4.53 113.70 108.29 3kp1 s SER 58 Ca -0.11 -0.85 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 3kp1 s SER 58 Cb -0.15 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3kp1 s SER 58 CO 0.01 -1.43 -0.01 -0.69 0.98 0.00 0.00 173.24 172.09 3kp1 s VAL 59 N -2.88 3.37 0.82 5.02 1.01 -0.19 -5.01 120.40 122.54 3kp1 s VAL 59 Ca 0.14 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3kp1 s VAL 59 Cb -0.05 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.76 3kp1 s VAL 59 CO 0.08 0.25 1.13 0.00 0.00 0.00 0.00 175.10 176.56 3kp1 s ALA 60 N 1.43 2.31 0.68 5.51 0.00 -1.26 -4.64 121.76 125.79 3kp1 s ALA 60 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 3kp1 s ALA 60 Cb -0.16 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3kp1 s ALA 60 CO -0.02 -1.78 1.27 -0.51 0.00 0.00 0.00 175.76 174.72 3kp1 s LEU 61 N -5.74 3.48 0.23 0.00 1.43 -1.26 -4.89 118.68 111.93 3kp1 s LEU 61 Ca 0.61 2.55 -0.06 0.00 -1.03 0.00 0.00 54.13 56.21 3kp1 s LEU 61 Cb -0.13 -4.61 0.37 0.00 0.03 0.00 0.00 46.19 41.85 3kp1 s LEU 61 CO 0.52 -2.13 1.79 -0.65 0.23 0.00 0.00 176.35 176.11 3kp1 h PRO 62 N 0.23 0.64 0.00 1.29 0.11 -1.99 -0.33 132.00 131.95 3kp1 h PRO 62 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kp1 h PRO 62 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kp1 h PRO 62 CO 0.52 0.42 0.00 0.43 -0.21 0.00 0.00 178.00 179.16 3kp1 n SER 63 N -4.83 0.00 0.31 -2.05 7.64 -1.26 -3.09 113.62 110.34 3kp1 n SER 63 Ca 0.12 -0.34 0.18 0.00 1.01 0.00 0.00 58.87 59.84 3kp1 n SER 63 Cb 0.29 -0.16 1.01 0.00 -1.01 0.00 0.00 64.21 64.34 3kp1 n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kp1 h ALA 64 N 3.21 1.34 -0.09 -0.43 0.00 -1.37 -2.12 119.26 119.81 3kp1 h ALA 64 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kp1 h ALA 64 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kp1 h ALA 64 CO 0.00 0.01 0.16 1.57 0.00 0.00 0.00 179.25 180.99 3kp1 h LYS 65 N 0.00 0.00 0.00 0.00 2.10 -1.72 0.21 116.57 117.16 3kp1 h LYS 65 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kp1 h LYS 65 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3kp1 h LYS 65 CO 0.00 0.00 -0.12 0.66 -2.00 0.00 0.00 179.45 177.99 3kp1 n TYR 66 N -3.43 0.35 -2.16 0.07 4.01 -0.80 -3.95 117.16 111.25 3kp1 n TYR 66 Ca -0.01 0.10 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 3kp1 n TYR 66 Cb 0.25 -0.62 0.07 0.00 -0.31 0.00 0.00 39.34 38.73 3kp1 n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kp1 n PHE 67 N -1.80 1.47 -1.30 -0.72 3.72 0.53 -4.95 117.46 114.42 3kp1 n PHE 67 Ca 0.06 -1.84 -0.05 0.00 -0.05 0.00 0.00 57.45 55.57 3kp1 n PHE 67 Cb 0.38 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 3kp1 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kp1 n GLY 68 N -0.64 0.69 2.82 1.37 0.00 -1.16 -3.66 105.19 104.61 3kp1 n GLY 68 Ca 0.26 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 3kp1 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kp1 n ASP 69 N 1.13 -5.38 -4.75 1.61 8.00 0.06 -4.98 116.55 112.23 3kp1 n ASP 69 Ca -0.05 -0.16 -0.35 0.00 0.71 0.00 0.00 54.79 54.94 3kp1 n ASP 69 Cb 0.23 -4.42 0.04 0.00 -0.02 0.00 0.00 41.12 36.95 3kp1 n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kp1 s ILE 70 N -3.02 2.79 -0.42 0.53 -4.36 -1.24 -4.82 121.20 110.66 3kp1 s ILE 70 Ca 0.19 0.44 0.08 0.00 -0.26 0.00 0.00 60.65 61.11 3kp1 s ILE 70 Cb -0.09 -3.08 0.28 0.00 1.25 0.00 0.00 42.46 40.82 3kp1 s ILE 70 CO 0.24 -0.16 0.61 -0.67 0.24 0.00 0.00 174.94 175.20 3kp1 n ASP 71 N -1.96 0.94 -4.76 4.36 2.03 -1.26 -4.61 116.55 111.30 3kp1 n ASP 71 Ca 0.12 -2.90 -0.40 0.00 0.52 0.00 0.00 54.79 52.14 3kp1 n ASP 71 Cb 0.50 -0.64 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 3kp1 n ASP 71 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kp1 n PRO 72 N 1.02 2.34 -4.48 -0.67 -0.04 -1.26 -4.72 135.00 127.20 3kp1 n PRO 72 Ca 0.23 0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 64.19 3kp1 n PRO 72 Cb 0.54 -2.61 -0.12 0.00 -0.04 0.00 0.00 33.50 31.27 3kp1 n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kp1 s GLN 73 N -2.31 3.37 1.00 0.54 -1.52 -1.26 -4.97 119.66 114.51 3kp1 s GLN 73 Ca 0.59 -0.53 -0.17 0.00 -1.95 0.00 0.00 55.36 53.30 3kp1 s GLN 73 Cb -0.47 -2.81 0.23 0.00 -0.22 0.00 0.00 33.01 29.74 3kp1 s GLN 73 CO 0.60 0.38 1.34 -1.25 -0.25 0.00 0.00 175.29 176.11 3kp1 s PRO 74 N -0.04 0.29 0.04 2.91 0.04 -1.26 -0.81 135.00 136.17 3kp1 s PRO 74 Ca 0.01 -0.49 -0.18 0.00 0.04 0.00 0.00 61.00 60.38 3kp1 s PRO 74 Cb -0.13 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 3kp1 s PRO 74 CO 0.03 -2.64 1.23 -0.07 0.04 0.00 0.00 177.00 175.58 3kp1 h LEU 75 N -1.81 0.64 -9.92 -3.56 3.38 -1.87 -3.35 115.31 98.83 3kp1 h LEU 75 Ca -0.44 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.36 3kp1 h LEU 75 Cb 1.22 -0.19 0.06 0.00 0.09 0.00 0.00 40.66 41.84 3kp1 h LEU 75 CO 0.33 1.18 0.57 -2.84 0.09 0.00 0.00 178.44 177.77 3kp1 s PRO 76 N -3.65 4.16 0.26 1.13 0.02 -1.26 -4.53 135.00 131.13 3kp1 s PRO 76 Ca -0.13 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 62.61 3kp1 s PRO 76 Cb 0.06 -2.85 -0.13 0.00 0.02 0.00 0.00 34.50 31.60 3kp1 s PRO 76 CO 0.83 -0.29 1.46 0.28 -0.33 0.00 0.00 177.00 178.95 3kp1 n VAL 77 N 0.38 1.03 -3.92 3.83 0.31 -0.99 -4.75 118.33 114.21 3kp1 n VAL 77 Ca 0.03 -0.26 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 3kp1 n VAL 77 Cb 0.44 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 3kp1 n VAL 77 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kp1 s ILE 78 N -0.10 3.83 0.03 2.52 -1.09 -1.26 0.05 121.20 125.18 3kp1 s ILE 78 Ca 0.66 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3kp1 s ILE 78 Cb -0.60 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 3kp1 s ILE 78 CO 0.50 0.40 0.31 -0.89 -1.23 0.00 0.00 174.94 174.03 3kp1 s THR 79 N 1.36 5.23 0.07 2.92 2.01 -0.79 -2.28 115.64 124.16 3kp1 s THR 79 Ca 0.04 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.39 3kp1 s THR 79 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3kp1 s THR 79 CO 0.00 0.35 -0.18 0.28 -0.69 0.00 0.00 174.62 174.39 3kp1 s THR 80 N -1.32 1.42 -0.32 -0.82 -1.32 -0.48 -2.55 115.64 110.26 3kp1 s THR 80 Ca 0.29 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.34 3kp1 s THR 80 Cb -0.14 -1.30 -0.02 0.00 -1.51 0.00 0.00 72.50 69.53 3kp1 s THR 80 CO 0.16 -0.05 0.20 -1.61 -2.21 0.00 0.00 174.62 171.12 3kp1 s GLU 81 N -1.59 3.56 -0.23 7.08 2.02 -1.26 -1.11 118.70 127.17 3kp1 s GLU 81 Ca 0.03 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 3kp1 s GLU 81 Cb -0.09 -3.69 0.07 0.00 0.10 0.00 0.00 34.13 30.51 3kp1 s GLU 81 CO 0.03 -0.37 0.03 0.42 0.02 0.00 0.00 175.26 175.39 3kp1 s ILE 82 N 1.70 0.82 -0.41 -1.63 1.01 -0.68 -4.97 121.20 117.05 3kp1 s ILE 82 Ca 0.06 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.85 3kp1 s ILE 82 Cb -0.17 -1.35 0.18 0.00 0.01 0.00 0.00 42.46 41.14 3kp1 s ILE 82 CO 0.09 -0.30 0.72 0.00 0.00 0.00 0.00 174.94 175.45 3kp1 s ALA 83 N 1.70 -2.72 -1.71 9.38 0.00 -1.26 -4.45 121.76 122.69 3kp1 s ALA 83 Ca 0.01 0.29 0.25 0.00 0.00 0.00 0.00 51.96 52.51 3kp1 s ALA 83 Cb -0.17 -2.79 0.44 0.00 0.00 0.00 0.00 23.12 20.60 3kp1 s ALA 83 CO -0.12 -2.27 1.36 -1.13 0.00 0.00 0.00 175.76 173.60 3kp1 n SER 84 N 4.03 1.27 0.00 0.00 3.41 -1.26 -4.01 113.62 117.05 3kp1 n SER 84 Ca 0.11 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3kp1 n SER 84 Cb 0.58 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 3kp1 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kp1 n GLY 85 N 1.39 3.40 2.91 5.00 0.00 -1.16 -4.70 105.19 112.04 3kp1 n GLY 85 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kp1 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kp1 s ARG 86 N -0.81 1.49 0.58 1.61 0.52 -1.26 -1.58 118.95 119.50 3kp1 s ARG 86 Ca 0.00 -2.01 0.28 0.00 -0.52 0.00 0.00 55.73 53.48 3kp1 s ARG 86 Cb 0.00 -2.94 1.69 0.00 0.52 0.00 0.00 34.95 34.22 3kp1 s ARG 86 CO 0.00 -1.03 2.18 0.27 0.02 0.00 0.00 175.30 176.74 3kp1 h PHE 87 N 7.22 0.00 0.00 -0.53 -5.15 -1.95 -1.45 116.94 115.07 3kp1 h PHE 87 Ca -0.06 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.60 3kp1 h PHE 87 Cb 0.97 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.12 3kp1 h PHE 87 CO 0.47 0.00 -0.49 1.05 -2.00 0.00 0.00 178.31 177.33 3kp1 h GLU 88 N 0.00 0.00 0.20 6.09 9.09 -1.99 -1.77 114.58 126.20 3kp1 h GLU 88 Ca 0.04 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.16 3kp1 h GLU 88 Cb 0.21 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.34 3kp1 h GLU 88 CO -0.00 0.49 -1.23 -0.44 0.05 0.00 0.00 179.01 177.88 3kp1 h ASP 89 N 0.00 0.75 -0.33 3.06 3.32 -1.62 -3.36 116.42 118.23 3kp1 h ASP 89 Ca -0.00 -0.91 0.02 0.00 0.02 0.00 0.00 57.03 56.16 3kp1 h ASP 89 Cb 1.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3kp1 h ASP 89 CO 0.06 1.60 0.22 0.44 -1.72 0.00 0.00 179.24 179.84 3kp1 h ASP 90 N 0.02 0.31 -0.62 6.45 3.32 -1.09 -0.40 116.42 124.41 3kp1 h ASP 90 Ca -0.21 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 56.90 3kp1 h ASP 90 Cb 1.96 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 41.40 3kp1 h ASP 90 CO 0.23 0.22 0.41 0.40 -1.72 0.00 0.00 179.24 178.79 3kp1 h ILE 91 N 0.37 0.99 -0.30 0.35 2.04 -1.48 0.13 117.51 119.60 3kp1 h ILE 91 Ca 0.13 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3kp1 h ILE 91 Cb 0.08 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3kp1 h ILE 91 CO -0.03 0.11 -0.08 0.03 0.00 0.00 0.00 178.15 178.18 3kp1 h ARG 92 N 0.59 0.58 -0.38 2.37 3.08 -1.26 -2.88 114.38 116.48 3kp1 h ARG 92 Ca 0.27 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3kp1 h ARG 92 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3kp1 h ARG 92 CO -0.08 0.78 0.12 -0.09 -1.07 0.00 0.00 179.97 179.63 3kp1 h ARG 93 N 0.35 0.55 -0.94 0.04 2.43 -1.29 -2.50 114.38 113.00 3kp1 h ARG 93 Ca 0.07 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kp1 h ARG 93 Cb 0.57 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3kp1 h ARG 93 CO 0.03 0.48 0.58 0.52 -1.51 0.00 0.00 179.97 180.07 3kp1 h MET 94 N 0.54 1.27 -0.65 0.20 2.86 -0.62 -0.34 114.93 118.19 3kp1 h MET 94 Ca 0.13 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3kp1 h MET 94 Cb 0.16 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3kp1 h MET 94 CO -0.01 0.88 0.28 -0.09 1.06 0.00 0.00 176.91 179.04 3kp1 h ARG 95 N 1.30 0.96 -0.26 1.72 2.43 -1.25 -1.59 114.38 117.68 3kp1 h ARG 95 Ca 0.34 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3kp1 h ARG 95 Cb -0.07 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3kp1 h ARG 95 CO -0.07 0.79 0.11 0.52 -1.51 0.00 0.00 179.97 179.81 3kp1 h MET 96 N 0.91 0.23 -0.76 0.20 2.86 -1.14 -2.63 114.93 114.61 3kp1 h MET 96 Ca 0.22 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3kp1 h MET 96 Cb 0.17 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3kp1 h MET 96 CO -0.02 0.16 0.34 0.00 1.06 0.00 0.00 176.91 178.44 3kp1 h ALA 97 N 1.15 0.98 -0.70 6.32 0.00 -0.91 -2.63 119.26 123.48 3kp1 h ALA 97 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kp1 h ALA 97 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3kp1 h ALA 97 CO -0.10 0.57 0.46 0.00 0.00 0.00 0.00 179.25 180.18 3kp1 h ALA 98 N 1.17 0.89 -0.09 0.00 0.00 -1.15 -1.10 119.26 118.99 3kp1 h ALA 98 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kp1 h ALA 98 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kp1 h ALA 98 CO -0.03 0.28 -0.15 -1.49 0.00 0.00 0.00 179.25 177.87 3kp1 h TRP 99 N 0.92 0.14 -0.22 0.00 4.06 -1.25 -1.32 115.95 118.28 3kp1 h TRP 99 Ca 0.26 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.20 3kp1 h TRP 99 Cb -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3kp1 h TRP 99 CO -0.03 0.29 0.00 0.72 -3.56 0.00 0.00 178.44 175.86 3kp1 n HIS 100 N -4.30 0.29 0.00 0.49 8.25 -0.74 -1.02 115.22 118.20 3kp1 n HIS 100 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3kp1 n HIS 100 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3kp1 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp1 n GLY 101 N 1.04 0.78 3.69 -1.41 0.00 -0.50 -4.53 105.19 104.25 3kp1 n GLY 101 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3kp1 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 s ALA 102 N -2.00 3.52 -0.16 4.61 0.00 -0.49 -4.71 121.76 122.52 3kp1 s ALA 102 Ca 0.00 0.67 0.17 0.00 0.00 0.00 0.00 51.96 52.80 3kp1 s ALA 102 Cb 0.00 -3.53 0.37 0.00 0.00 0.00 0.00 23.12 19.96 3kp1 s ALA 102 CO 0.00 -0.80 1.24 -0.40 0.00 0.00 0.00 175.76 175.79 3kp1 n ASP 103 N 5.28 2.63 -3.56 0.00 5.75 -0.96 -4.19 116.55 121.49 3kp1 n ASP 103 Ca 0.11 -3.20 -0.17 0.00 -0.01 0.00 0.00 54.79 51.52 3kp1 n ASP 103 Cb 0.46 -0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 39.93 3kp1 n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kp1 s HIS 104 N -2.93 -0.27 -0.24 2.11 5.04 -0.97 -1.00 115.29 117.03 3kp1 s HIS 104 Ca 0.36 0.41 -0.04 0.00 -1.54 0.00 0.00 55.06 54.25 3kp1 s HIS 104 Cb 0.31 -0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.64 3kp1 s HIS 104 CO 0.03 -0.49 -0.02 0.42 -2.34 0.00 0.00 174.74 172.33 3kp1 s ILE 105 N 2.33 3.39 -0.19 0.89 -1.09 0.45 -1.38 121.20 125.60 3kp1 s ILE 105 Ca 0.05 -0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3kp1 s ILE 105 Cb -0.14 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 3kp1 s ILE 105 CO -0.10 0.32 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.57 3kp1 s MET 106 N 1.45 3.53 -0.38 2.79 1.75 -0.27 -1.05 119.30 127.13 3kp1 s MET 106 Ca 0.04 -0.57 -0.04 0.00 -1.25 0.00 0.00 55.69 53.87 3kp1 s MET 106 Cb -0.15 -2.99 0.08 0.00 2.84 0.00 0.00 34.83 34.61 3kp1 s MET 106 CO -0.02 0.00 0.16 0.08 -0.65 0.00 0.00 175.02 174.59 3kp1 s VAL 107 N 0.99 3.47 0.42 10.11 1.01 0.38 -1.68 120.40 135.10 3kp1 s VAL 107 Ca 0.01 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 3kp1 s VAL 107 Cb -0.15 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3kp1 s VAL 107 CO 0.01 -0.47 1.28 -0.63 0.00 0.00 0.00 175.10 175.29 3kp1 s ILE 108 N 1.25 2.67 0.48 2.22 1.01 -1.26 -4.44 121.20 123.13 3kp1 s ILE 108 Ca 0.03 0.58 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 3kp1 s ILE 108 Cb -0.22 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3kp1 s ILE 108 CO -0.01 0.06 0.81 -0.13 0.00 0.00 0.00 174.94 175.67 3kp1 s ARG 109 N -2.36 3.62 0.44 2.79 0.52 -1.26 -1.11 118.95 121.59 3kp1 s ARG 109 Ca 0.59 0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 55.92 3kp1 s ARG 109 Cb -0.36 -2.34 -0.10 0.00 0.52 0.00 0.00 34.95 32.66 3kp1 s ARG 109 CO 0.46 -0.20 0.97 -2.37 0.02 0.00 0.00 175.30 174.18 3kp1 n THR 110 N -2.03 2.50 -1.66 0.02 5.66 -0.62 -3.98 114.28 114.18 3kp1 n THR 110 Ca 0.02 -0.50 -0.48 0.00 -3.05 0.00 0.00 64.05 60.04 3kp1 n THR 110 Cb 0.55 -1.11 -0.05 0.00 -1.55 0.00 0.00 70.33 68.17 3kp1 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kp1 n ALA 111 N -0.65 0.76 -0.82 1.79 0.00 -0.43 -2.12 120.51 119.03 3kp1 n ALA 111 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3kp1 n ALA 111 Cb 0.40 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3kp1 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 112 N 3.49 0.59 0.34 0.00 0.00 -1.26 -4.92 105.19 103.43 3kp1 n GLY 112 Ca 0.19 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.34 3kp1 n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kp1 h GLN 113 N 1.48 0.00 -0.47 1.61 4.15 -1.77 0.13 115.11 120.24 3kp1 h GLN 113 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 3kp1 h GLN 113 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3kp1 h GLN 113 CO 0.00 0.00 0.46 0.77 -1.93 0.00 0.00 178.83 178.13 3kp1 h SER 114 N 0.00 0.00 0.23 -0.69 0.02 -1.87 -1.43 113.55 109.82 3kp1 h SER 114 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kp1 h SER 114 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3kp1 h SER 114 CO -0.00 0.00 -0.23 1.41 -1.14 0.00 0.00 176.83 176.87 3kp1 n HIS 115 N -3.84 0.00 -2.48 3.45 8.25 0.45 -0.95 115.22 120.10 3kp1 n HIS 115 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 3kp1 n HIS 115 Cb 0.65 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3kp1 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kp1 s TYR 116 N -2.47 2.96 -1.36 4.41 2.02 -0.54 -4.92 117.35 117.45 3kp1 s TYR 116 Ca 0.25 1.11 -0.07 0.00 -0.37 0.00 0.00 57.07 57.99 3kp1 s TYR 116 Cb 0.19 -3.45 0.10 0.00 -0.40 0.00 0.00 41.96 38.40 3kp1 s TYR 116 CO 0.51 -1.42 2.36 -3.47 -1.57 0.00 0.00 175.55 171.95 3kp1 n ASP 117 N 6.52 7.39 0.00 2.29 2.03 -1.26 -4.09 116.55 129.43 3kp1 n ASP 117 Ca 0.13 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.40 3kp1 n ASP 117 Cb 0.45 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3kp1 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 118 N 2.29 2.03 3.77 0.27 0.00 -1.26 -4.98 105.19 107.31 3kp1 n GLY 118 Ca 0.60 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3kp1 n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kp1 s LEU 119 N 0.00 3.96 0.38 0.99 1.43 -1.26 -4.95 118.68 119.23 3kp1 s LEU 119 Ca 0.00 2.27 0.08 0.00 -1.03 0.00 0.00 54.13 55.44 3kp1 s LEU 119 Cb 0.00 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 3kp1 s LEU 119 CO 0.00 -0.96 0.38 0.27 0.23 0.00 0.00 176.35 176.27 3kp1 s ILE 120 N -1.60 3.14 0.16 -0.59 -4.36 -1.26 -5.14 121.20 111.54 3kp1 s ILE 120 Ca 0.65 -1.28 0.05 0.00 -0.26 0.00 0.00 60.65 59.82 3kp1 s ILE 120 Cb -0.27 -3.10 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3kp1 s ILE 120 CO 0.33 -0.08 -0.12 -1.61 0.24 0.00 0.00 174.94 173.71 3kp1 s GLU 121 N -4.11 1.11 1.69 0.37 0.41 -1.26 -4.34 118.70 112.57 3kp1 s GLU 121 Ca 0.46 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 3kp1 s GLU 121 Cb -0.06 -0.76 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 3kp1 s GLU 121 CO 0.28 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 3kp1 n GLY 122 N -0.14 -1.00 2.36 -1.39 0.00 -1.23 -4.66 105.19 99.12 3kp1 n GLY 122 Ca -0.10 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 3kp1 n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp1 n THR 123 N 0.00 0.42 -1.27 2.61 -2.24 -1.26 -4.38 114.28 108.15 3kp1 n THR 123 Ca 0.00 -4.34 -0.32 0.00 -2.27 0.00 0.00 64.05 57.11 3kp1 n THR 123 Cb 0.00 -0.18 0.10 0.00 -2.10 0.00 0.00 70.33 68.16 3kp1 n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kp1 s PRO 124 N -2.70 2.03 0.32 -0.78 0.04 -1.24 -3.38 135.00 129.29 3kp1 s PRO 124 Ca 0.38 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 3kp1 s PRO 124 Cb 0.37 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.96 3kp1 s PRO 124 CO -0.06 -1.86 1.21 -1.14 0.04 0.00 0.00 177.00 175.18 3kp1 s GLN 125 N -4.40 4.42 0.41 4.56 0.74 -1.26 -4.66 119.66 119.48 3kp1 s GLN 125 Ca 0.67 2.01 0.06 0.00 0.05 0.00 0.00 55.36 58.15 3kp1 s GLN 125 Cb -0.23 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.83 3kp1 s GLN 125 CO 0.50 -0.05 0.57 0.20 -0.55 0.00 0.00 175.29 175.96 3kp1 s GLY 126 N -0.73 1.78 -0.11 2.59 0.00 -0.61 -4.89 107.32 105.34 3kp1 s GLY 126 Ca 0.48 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 3kp1 s GLY 126 CO 0.46 -1.34 -0.09 -1.50 0.00 0.00 0.00 173.10 170.64 3kp1 s ILE 127 N -2.36 1.11 0.00 0.90 1.10 -1.26 -4.61 121.20 116.08 3kp1 s ILE 127 Ca 0.51 -0.35 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 3kp1 s ILE 127 Cb -0.10 -1.10 0.00 0.00 0.15 0.00 0.00 42.46 41.41 3kp1 s ILE 127 CO 0.33 0.38 0.00 0.61 -2.11 0.00 0.00 174.94 174.15 3kp1 n GLY 128 N 4.84 0.39 0.00 1.50 0.00 -1.26 -1.31 105.19 109.34 3kp1 n GLY 128 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kp1 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 129 N -1.85 -1.00 3.58 -0.02 0.00 -1.26 -4.67 105.19 99.97 3kp1 n GLY 129 Ca 0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 3kp1 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 130 N -2.00 4.21 -0.06 1.61 1.01 -0.27 -3.00 120.40 121.90 3kp1 s VAL 130 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3kp1 s VAL 130 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3kp1 s VAL 130 CO 0.00 0.51 1.53 -2.84 0.00 0.00 0.00 175.10 174.30 3kp1 s PRO 131 N 0.04 4.21 -0.25 2.72 0.02 -1.26 -1.59 135.00 138.89 3kp1 s PRO 131 Ca 0.02 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.83 3kp1 s PRO 131 Cb -0.13 -3.84 -0.00 0.00 0.02 0.00 0.00 34.50 30.54 3kp1 s PRO 131 CO 0.02 -0.76 0.87 0.42 -0.33 0.00 0.00 177.00 177.22 3kp1 s ILE 132 N 3.56 4.80 0.07 2.83 -1.09 -1.26 -4.90 121.20 125.21 3kp1 s ILE 132 Ca 0.68 1.63 -0.06 0.00 -2.23 0.00 0.00 60.65 60.67 3kp1 s ILE 132 Cb -0.31 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 3kp1 s ILE 132 CO 0.26 -0.11 0.10 0.42 -1.23 0.00 0.00 174.94 174.38 3kp1 s THR 133 N 2.93 0.17 0.21 2.92 -4.23 -1.26 -4.45 115.64 111.93 3kp1 s THR 133 Ca 0.36 -1.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 3kp1 s THR 133 Cb -0.15 -1.38 0.16 0.00 1.34 0.00 0.00 72.50 72.47 3kp1 s THR 133 CO 0.08 -0.78 1.74 -0.09 -0.54 0.00 0.00 174.62 175.02 3kp1 h ARG 134 N 2.96 0.38 -0.43 3.99 2.43 -1.90 -0.29 114.38 121.53 3kp1 h ARG 134 Ca -0.34 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 3kp1 h ARG 134 Cb 1.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3kp1 h ARG 134 CO 0.60 0.25 0.16 -0.22 -1.51 0.00 0.00 179.97 179.24 3kp1 h LYS 135 N 0.39 0.65 -0.47 0.20 3.64 -1.84 -1.14 116.57 118.00 3kp1 h LYS 135 Ca 0.33 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3kp1 h LYS 135 Cb 0.43 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3kp1 h LYS 135 CO -0.34 0.61 -0.24 0.37 -2.27 0.00 0.00 179.45 177.59 3kp1 h GLN 136 N 0.55 0.99 -0.27 1.90 -0.00 -1.68 -1.80 115.11 114.80 3kp1 h GLN 136 Ca 0.14 -0.44 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 3kp1 h GLN 136 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 3kp1 h GLN 136 CO -0.01 1.11 0.15 0.28 0.00 0.00 0.00 178.83 180.36 3kp1 h VAL 137 N 0.85 1.12 -0.63 2.39 2.07 -0.96 -2.04 116.25 119.05 3kp1 h VAL 137 Ca 0.10 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3kp1 h VAL 137 Cb 0.82 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3kp1 h VAL 137 CO 0.07 0.12 0.35 0.03 0.02 0.00 0.00 177.57 178.16 3kp1 h ARG 138 N 0.33 0.65 -0.24 1.57 3.08 -1.10 -0.03 114.38 118.64 3kp1 h ARG 138 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kp1 h ARG 138 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3kp1 h ARG 138 CO -0.02 0.43 0.13 0.00 -1.07 0.00 0.00 179.97 179.44 3kp1 h ALA 139 N 1.32 0.30 -0.25 0.04 0.00 -1.15 0.43 119.26 119.95 3kp1 h ALA 139 Ca 0.28 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 3kp1 h ALA 139 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kp1 h ALA 139 CO -0.16 -0.17 -0.55 1.96 0.00 0.00 0.00 179.25 180.33 3kp1 h GLN 140 N 0.27 0.75 -0.01 0.00 4.20 -1.19 -1.68 115.11 117.46 3kp1 h GLN 140 Ca 0.08 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.22 3kp1 h GLN 140 Cb 0.06 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3kp1 h GLN 140 CO -0.01 1.10 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.71 3kp1 h ARG 141 N 0.58 0.02 -0.16 1.46 9.65 -0.89 -0.30 114.38 124.73 3kp1 h ARG 141 Ca 0.01 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 3kp1 h ARG 141 Cb 1.13 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3kp1 h ARG 141 CO 0.11 0.46 -0.22 -0.22 2.80 0.00 0.00 179.97 182.91 3kp1 h LYS 142 N 0.01 0.43 -0.77 0.20 3.64 -0.77 -1.97 116.57 117.34 3kp1 h LYS 142 Ca -0.00 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 3kp1 h LYS 142 Cb 0.80 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3kp1 h LYS 142 CO 0.06 0.83 0.28 0.00 -2.27 0.00 0.00 179.45 178.34 3kp1 h ALA 143 N 0.59 1.01 -0.07 5.00 0.00 -1.13 -2.77 119.26 121.89 3kp1 h ALA 143 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3kp1 h ALA 143 Cb 0.78 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kp1 h ALA 143 CO 0.05 0.66 -0.32 -0.07 0.00 0.00 0.00 179.25 179.57 3kp1 h LEU 144 N 1.14 0.14 -0.54 0.00 3.38 -1.01 0.11 115.31 118.53 3kp1 h LEU 144 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kp1 h LEU 144 Cb 0.26 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3kp1 h LEU 144 CO -0.01 0.46 0.36 0.44 0.09 0.00 0.00 178.44 179.77 3kp1 h ASP 145 N 0.12 0.62 -0.34 -0.43 3.32 -1.08 0.34 116.42 118.97 3kp1 h ASP 145 Ca 0.02 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3kp1 h ASP 145 Cb 0.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3kp1 h ASP 145 CO 0.05 0.45 0.06 -0.07 -1.72 0.00 0.00 179.24 178.01 3kp1 h LEU 146 N 0.73 0.53 -0.28 1.55 3.38 -1.21 -2.70 115.31 117.31 3kp1 h LEU 146 Ca 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kp1 h LEU 146 Cb -0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kp1 h LEU 146 CO -0.04 0.65 0.01 0.40 0.09 0.00 0.00 178.44 179.55 3kp1 h ILE 147 N 0.40 1.25 -0.05 1.22 2.04 -0.78 -2.21 117.51 119.38 3kp1 h ILE 147 Ca 0.10 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3kp1 h ILE 147 Cb 0.34 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3kp1 h ILE 147 CO 0.00 0.28 -0.28 1.05 0.00 0.00 0.00 178.15 179.21 3kp1 h GLU 148 N 0.28 0.09 -0.40 2.37 4.11 -0.36 -1.92 114.58 118.75 3kp1 h GLU 148 Ca 0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 3kp1 h GLU 148 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3kp1 h GLU 148 CO 0.01 0.37 0.15 0.93 0.07 0.00 0.00 179.01 180.55 3kp1 h GLU 149 N 0.09 0.61 -0.18 1.06 5.08 -1.31 -0.90 114.58 119.02 3kp1 h GLU 149 Ca 0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kp1 h GLU 149 Cb 0.54 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3kp1 h GLU 149 CO 0.04 0.58 0.11 1.49 -1.00 0.00 0.00 179.01 180.23 3kp1 h GLU 150 N 0.51 0.24 0.00 2.33 4.81 -0.85 -3.04 114.58 118.58 3kp1 h GLU 150 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3kp1 h GLU 150 Cb 0.20 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kp1 h GLU 150 CO -0.01 0.20 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.05 3kp1 h VAL 151 N 0.22 0.05 0.00 0.32 -1.51 -1.38 -3.35 116.25 110.60 3kp1 h VAL 151 Ca 0.06 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3kp1 h VAL 151 Cb 0.02 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3kp1 h VAL 151 CO -0.01 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 3kp1 n GLY 152 N 0.99 0.75 3.30 5.19 0.00 -0.38 -0.24 105.19 114.81 3kp1 n GLY 152 Ca 0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3kp1 n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kp1 s ARG 153 N -1.43 0.45 0.43 1.61 3.52 -1.00 -4.67 118.95 117.86 3kp1 s ARG 153 Ca 0.00 0.68 -0.25 0.00 -0.13 0.00 0.00 55.73 56.03 3kp1 s ARG 153 Cb 0.00 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.43 3kp1 s ARG 153 CO 0.00 -0.10 1.37 -1.25 -0.81 0.00 0.00 175.30 174.50 3kp1 s PRO 154 N 0.76 3.80 -0.12 5.12 0.04 -1.26 -4.66 135.00 138.68 3kp1 s PRO 154 Ca -0.04 2.29 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 3kp1 s PRO 154 Cb -0.05 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 3kp1 s PRO 154 CO -0.06 -0.68 -0.11 0.42 0.04 0.00 0.00 177.00 176.62 3kp1 s ILE 155 N -1.23 3.28 -0.10 0.56 1.01 -1.26 -4.90 121.20 118.55 3kp1 s ILE 155 Ca 0.59 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3kp1 s ILE 155 Cb -0.41 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 3kp1 s ILE 155 CO 0.53 0.53 0.83 0.20 0.00 0.00 0.00 174.94 177.03 3kp1 s ASN 156 N 0.15 7.06 -0.11 3.58 0.01 -0.17 -4.97 114.94 120.48 3kp1 s ASN 156 Ca -0.05 1.29 -0.05 0.00 -0.71 0.00 0.00 52.86 53.33 3kp1 s ASN 156 Cb -0.15 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3kp1 s ASN 156 CO 0.04 -0.29 0.09 -0.47 -1.51 0.00 0.00 177.10 174.95 3kp1 s TYR 157 N 1.54 3.42 -0.08 2.20 5.04 -1.26 -0.41 117.35 127.79 3kp1 s TYR 157 Ca 0.41 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 55.37 3kp1 s TYR 157 Cb -0.18 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.27 3kp1 s TYR 157 CO 0.17 0.61 0.21 -1.58 -1.34 0.00 0.00 175.55 173.62 3kp1 s HIS 158 N -0.88 -0.25 0.00 4.97 5.65 -0.21 -1.24 115.29 123.33 3kp1 s HIS 158 Ca 0.14 0.61 0.00 0.00 0.25 0.00 0.00 55.06 56.06 3kp1 s HIS 158 Cb -0.12 0.04 0.00 0.00 -1.18 0.00 0.00 32.58 31.33 3kp1 s HIS 158 CO 0.03 -0.16 0.00 0.45 -0.65 0.00 0.00 174.74 174.41 3kp1 n SER 159 N 3.56 0.00 -4.23 9.88 2.88 -1.15 -0.47 113.62 124.08 3kp1 n SER 159 Ca -0.19 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.04 3kp1 n SER 159 Cb 0.56 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.85 3kp1 n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kp1 s TYR 160 N -0.81 2.45 -2.63 0.66 2.02 -1.26 -1.87 117.35 115.91 3kp1 s TYR 160 Ca 0.00 -0.89 0.24 0.00 -0.37 0.00 0.00 57.07 56.06 3kp1 s TYR 160 Cb 0.00 -1.63 0.55 0.00 -0.40 0.00 0.00 41.96 40.48 3kp1 s TYR 160 CO 0.00 -0.33 1.46 0.28 -1.57 0.00 0.00 175.55 175.39 3kp1 n VAL 161 N 3.28 0.16 -1.02 0.71 0.31 -0.42 -4.93 118.33 116.42 3kp1 n VAL 161 Ca -0.18 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.34 3kp1 n VAL 161 Cb 0.53 0.94 0.14 0.00 -0.91 0.00 0.00 33.84 34.53 3kp1 n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kp1 n SER 162 N 0.93 0.83 0.00 4.52 7.64 -1.25 -3.86 113.62 122.42 3kp1 n SER 162 Ca 0.17 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.60 3kp1 n SER 162 Cb 0.50 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3kp1 n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kp1 n GLY 163 N 0.53 -1.02 0.04 0.23 0.00 -1.26 -4.48 105.19 99.23 3kp1 n GLY 163 Ca 0.13 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.16 3kp1 n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp1 n VAL 164 N 0.00 0.00 -1.84 1.61 0.24 -0.13 -3.65 118.33 114.56 3kp1 n VAL 164 Ca 0.00 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 3kp1 n VAL 164 Cb 0.00 -0.01 0.09 0.00 -1.47 0.00 0.00 33.84 32.45 3kp1 n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kp1 n ALA 165 N -1.32 4.67 -0.14 2.33 0.00 -1.26 -4.82 120.51 119.98 3kp1 n ALA 165 Ca 0.08 -3.61 -0.05 0.00 0.00 0.00 0.00 53.44 49.87 3kp1 n ALA 165 Cb 0.33 -0.42 0.02 0.00 0.00 0.00 0.00 19.45 19.38 3kp1 n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kp1 h GLY 166 N 1.78 0.14 0.59 0.00 0.00 -1.67 -1.06 103.07 102.84 3kp1 h GLY 166 Ca 0.27 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.92 3kp1 h GLY 166 CO 0.57 -0.21 0.13 -2.55 0.00 0.00 0.00 176.54 174.48 3kp1 h PRO 167 N -0.11 0.27 -0.16 4.80 0.11 -1.87 0.43 132.00 135.48 3kp1 h PRO 167 Ca 0.22 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3kp1 h PRO 167 Cb 0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3kp1 h PRO 167 CO -0.53 0.18 -0.06 -0.44 -0.21 0.00 0.00 178.00 176.94 3kp1 h ASP 168 N 0.28 -0.20 -0.44 -2.05 5.19 -1.78 -1.96 116.42 115.46 3kp1 h ASP 168 Ca 0.19 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 3kp1 h ASP 168 Cb 0.20 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3kp1 h ASP 168 CO -0.22 -0.08 -0.05 0.40 -3.12 0.00 0.00 179.24 176.18 3kp1 h ILE 169 N -0.03 1.27 -0.80 0.35 2.04 -0.90 -2.60 117.51 116.85 3kp1 h ILE 169 Ca 0.08 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.91 3kp1 h ILE 169 Cb 0.15 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3kp1 h ILE 169 CO -0.18 0.38 0.45 0.00 0.00 0.00 0.00 178.15 178.80 3kp1 h ALA 170 N 0.88 1.13 -0.20 1.87 0.00 -0.78 0.17 119.26 122.33 3kp1 h ALA 170 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kp1 h ALA 170 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kp1 h ALA 170 CO 0.03 0.06 0.11 0.28 0.00 0.00 0.00 179.25 179.74 3kp1 h VAL 171 N 0.75 1.11 -0.61 0.00 2.07 -1.06 0.77 116.25 119.27 3kp1 h VAL 171 Ca 0.39 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3kp1 h VAL 171 Cb 0.37 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3kp1 h VAL 171 CO -0.25 0.11 0.23 -0.03 0.02 0.00 0.00 177.57 177.64 3kp1 h MET 172 N 0.22 0.92 -0.53 1.57 -1.53 -1.04 -0.49 114.93 114.05 3kp1 h MET 172 Ca 0.07 -0.17 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 3kp1 h MET 172 Cb 0.07 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 30.95 3kp1 h MET 172 CO -0.01 0.79 0.23 0.74 0.14 0.00 0.00 176.91 178.80 3kp1 h PHE 173 N 0.85 0.79 -0.42 1.39 -1.00 -0.47 -0.95 116.94 117.13 3kp1 h PHE 173 Ca 0.20 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 3kp1 h PHE 173 Cb 0.23 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 3kp1 h PHE 173 CO 0.01 0.64 0.26 0.00 -1.61 0.00 0.00 178.31 177.61 3kp1 h ALA 174 N 1.07 0.53 -0.84 2.45 0.00 -0.54 -1.78 119.26 120.14 3kp1 h ALA 174 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kp1 h ALA 174 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 174 CO -0.02 0.01 0.50 0.93 0.00 0.00 0.00 179.25 180.67 3kp1 h GLU 175 N 0.56 1.15 -0.70 0.00 5.08 -0.87 -3.20 114.58 116.60 3kp1 h GLU 175 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kp1 h GLU 175 Cb -0.02 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3kp1 h GLU 175 CO -0.03 0.82 0.00 0.39 -1.00 0.00 0.00 179.01 179.19 3kp1 n GLU 176 N -4.36 2.62 -2.00 2.33 -0.58 -0.38 -4.78 120.64 113.49 3kp1 n GLU 176 Ca 0.09 -2.52 -0.08 0.00 -0.42 0.00 0.00 57.16 54.23 3kp1 n GLU 176 Cb 0.07 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.39 3kp1 n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kp1 n GLY 177 N 1.62 0.20 3.72 0.62 0.00 -0.95 -4.70 105.19 105.70 3kp1 n GLY 177 Ca 0.23 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3kp1 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 178 N -2.37 3.10 -0.11 1.61 1.01 -0.71 -4.75 120.40 118.18 3kp1 s VAL 178 Ca 0.00 0.81 0.16 0.00 0.00 0.00 0.00 61.98 62.95 3kp1 s VAL 178 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 3kp1 s VAL 178 CO 0.00 0.07 0.96 0.78 0.00 0.00 0.00 175.10 176.91 3kp1 h ASN 179 N 6.54 0.00 -5.15 3.32 4.21 -1.46 -3.43 115.58 119.60 3kp1 h ASN 179 Ca -0.43 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.02 3kp1 h ASN 179 Cb 1.21 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.29 3kp1 h ASN 179 CO 0.86 0.61 -0.14 -0.83 -1.29 0.00 0.00 177.43 176.64 3kp1 s GLY 180 N -4.74 0.11 0.08 2.83 0.00 -1.00 -1.91 107.32 102.68 3kp1 s GLY 180 Ca -0.01 -0.47 -0.25 0.00 0.00 0.00 0.00 44.72 43.99 3kp1 s GLY 180 CO 0.80 -0.52 0.59 0.00 0.00 0.00 0.00 173.10 173.98 3kp1 s ALA 181 N -3.90 -1.55 0.02 3.20 0.00 -0.08 -2.96 121.76 116.48 3kp1 s ALA 181 Ca 0.11 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 3kp1 s ALA 181 Cb 0.01 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3kp1 s ALA 181 CO -0.03 -0.60 1.11 -1.01 0.00 0.00 0.00 175.76 175.22 3kp1 s HIS 182 N -2.78 3.49 -0.16 0.00 3.76 -0.78 -1.20 115.29 117.61 3kp1 s HIS 182 Ca -0.03 1.45 -0.06 0.00 -0.15 0.00 0.00 55.06 56.27 3kp1 s HIS 182 Cb -0.01 -3.30 0.08 0.00 1.11 0.00 0.00 32.58 30.46 3kp1 s HIS 182 CO -0.04 -0.76 0.33 -1.14 -0.85 0.00 0.00 174.74 172.28 3kp1 s GLN 183 N 1.24 0.23 -0.23 1.40 -0.44 -0.86 -1.30 119.66 119.69 3kp1 s GLN 183 Ca 0.55 0.88 -0.04 0.00 -2.50 0.00 0.00 55.36 54.26 3kp1 s GLN 183 Cb -0.25 0.13 0.13 0.00 -1.64 0.00 0.00 33.01 31.38 3kp1 s GLN 183 CO 0.27 -0.27 0.39 0.34 0.50 0.00 0.00 175.29 176.52 3kp1 s ASP 184 N 2.51 0.10 0.57 6.67 -1.08 -1.26 -4.63 116.67 119.55 3kp1 s ASP 184 Ca -0.00 0.40 0.25 0.00 -0.52 0.00 0.00 52.55 52.68 3kp1 s ASP 184 Cb -0.12 1.18 1.63 0.00 -1.46 0.00 0.00 42.92 44.15 3kp1 s ASP 184 CO -0.10 -0.28 2.21 1.55 0.52 0.00 0.00 175.17 179.06 3kp1 h PRO 185 N 8.18 0.00 -0.19 4.34 0.13 -1.98 -1.37 132.00 141.10 3kp1 h PRO 185 Ca -0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 3kp1 h PRO 185 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kp1 h PRO 185 CO 0.24 0.00 -0.24 1.96 -0.23 0.00 0.00 178.00 179.73 3kp1 h GLN 186 N 0.00 0.35 0.05 0.86 4.20 -1.95 -2.84 115.11 115.78 3kp1 h GLN 186 Ca 0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3kp1 h GLN 186 Cb 0.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kp1 h GLN 186 CO -0.00 0.57 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.79 3kp1 h TYR 187 N 0.32 -0.06 -0.67 2.96 3.20 -1.61 -1.17 116.97 119.93 3kp1 h TYR 187 Ca 0.05 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.06 3kp1 h TYR 187 Cb 0.60 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 3kp1 h TYR 187 CO 0.01 -0.02 0.14 -0.91 -1.64 0.00 0.00 178.16 175.74 3kp1 h ASN 188 N -0.09 -0.03 0.34 -2.11 2.35 -1.51 -2.05 115.58 112.47 3kp1 h ASN 188 Ca -0.01 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3kp1 h ASN 188 Cb 0.07 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3kp1 h ASN 188 CO 0.01 -0.03 -0.16 0.58 -1.65 0.00 0.00 177.43 176.18 3kp1 h VAL 189 N 0.25 0.08 -0.49 2.81 2.07 -1.38 0.32 116.25 119.91 3kp1 h VAL 189 Ca 0.36 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3kp1 h VAL 189 Cb 0.59 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3kp1 h VAL 189 CO -0.47 0.02 -0.13 -0.07 0.02 0.00 0.00 177.57 176.94 3kp1 h LEU 190 N -1.10 0.93 0.00 2.57 3.38 -1.22 -2.41 115.31 117.45 3kp1 h LEU 190 Ca -0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3kp1 h LEU 190 Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kp1 h LEU 190 CO 0.08 1.06 -1.58 -1.22 0.09 0.00 0.00 178.44 176.87 3kp1 n TYR 191 N -4.14 0.00 0.13 1.13 4.01 -0.78 -4.54 117.16 112.98 3kp1 n TYR 191 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3kp1 n TYR 191 Cb 0.40 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3kp1 n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kp1 n ARG 192 N -1.96 1.13 -3.59 -0.72 5.12 -1.13 -5.02 116.66 110.49 3kp1 n ARG 192 Ca -0.03 -0.51 -0.26 0.00 -1.93 0.00 0.00 57.85 55.11 3kp1 n ARG 192 Cb 0.36 -0.95 0.04 0.00 -1.16 0.00 0.00 32.46 30.74 3kp1 n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kp1 n ASN 193 N -0.14 -5.43 -4.76 0.55 5.15 -0.87 -4.83 115.26 104.94 3kp1 n ASN 193 Ca 0.02 -0.57 -0.40 0.00 -0.60 0.00 0.00 54.58 53.03 3kp1 n ASN 193 Cb 0.07 -4.33 -0.06 0.00 -0.53 0.00 0.00 39.78 34.93 3kp1 n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kp1 s ILE 194 N -3.24 4.30 0.24 -1.44 1.01 0.05 -0.54 121.20 121.57 3kp1 s ILE 194 Ca 0.55 1.88 -0.31 0.00 0.00 0.00 0.00 60.65 62.77 3kp1 s ILE 194 Cb -0.26 -4.23 -0.14 0.00 0.01 0.00 0.00 42.46 37.84 3kp1 s ILE 194 CO 0.68 0.48 1.28 -3.20 0.00 0.00 0.00 174.94 174.18 3kp1 n ASN 195 N 1.76 2.19 0.14 3.58 2.85 0.73 -4.05 115.26 122.46 3kp1 n ASN 195 Ca -0.03 1.15 -0.00 0.00 -0.11 0.00 0.00 54.58 55.59 3kp1 n ASN 195 Cb 0.48 -1.36 0.19 0.00 1.24 0.00 0.00 39.78 40.33 3kp1 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kp1 h MET 196 N 3.52 0.00 -0.09 1.20 -0.00 -1.80 0.80 114.93 118.56 3kp1 h MET 196 Ca -0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.19 3kp1 h MET 196 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 3kp1 h MET 196 CO 0.71 0.58 -0.22 0.82 -0.00 0.00 0.00 176.91 178.80 3kp1 h ILE 197 N 0.00 1.41 -0.24 -0.10 2.04 -1.90 -2.58 117.51 116.14 3kp1 h ILE 197 Ca -0.01 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.34 3kp1 h ILE 197 Cb 1.07 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3kp1 h ILE 197 CO 0.08 0.44 0.06 -0.09 0.00 0.00 0.00 178.15 178.64 3kp1 h ARG 198 N -0.16 0.16 -0.28 2.37 9.65 -1.83 -2.62 114.38 121.67 3kp1 h ARG 198 Ca -0.00 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 3kp1 h ARG 198 Cb 0.83 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.33 3kp1 h ARG 198 CO 0.05 0.10 0.02 1.03 2.80 0.00 0.00 179.97 183.97 3kp1 h SER 199 N 0.16 -0.06 0.25 -3.80 0.87 -0.81 -1.17 113.55 108.99 3kp1 h SER 199 Ca 0.11 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 3kp1 h SER 199 Cb 0.10 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3kp1 h SER 199 CO -0.13 0.00 -0.59 -0.26 -0.53 0.00 0.00 176.83 175.32 3kp1 h PHE 200 N 0.11 0.43 -0.21 2.24 -1.00 -1.40 -1.81 116.94 115.31 3kp1 h PHE 200 Ca 0.13 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 3kp1 h PHE 200 Cb 0.16 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3kp1 h PHE 200 CO -0.19 0.84 -0.02 0.82 -1.61 0.00 0.00 178.31 178.15 3kp1 h ILE 201 N 0.26 1.27 -0.87 -0.55 2.04 -1.28 -2.90 117.51 115.47 3kp1 h ILE 201 Ca -0.00 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kp1 h ILE 201 Cb 1.10 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 3kp1 h ILE 201 CO 0.10 0.29 0.58 0.44 0.00 0.00 0.00 178.15 179.56 3kp1 h ASP 202 N 0.13 0.99 -0.58 1.72 5.19 -1.17 -2.74 116.42 119.96 3kp1 h ASP 202 Ca 0.06 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3kp1 h ASP 202 Cb 0.45 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 3kp1 h ASP 202 CO 0.02 0.71 0.30 0.00 -3.12 0.00 0.00 179.24 177.15 3kp1 h ALA 203 N 1.46 1.38 -0.90 3.45 0.00 -1.23 -0.12 119.26 123.31 3kp1 h ALA 203 Ca 0.33 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3kp1 h ALA 203 Cb -0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 3kp1 h ALA 203 CO -0.08 0.49 0.57 0.00 0.00 0.00 0.00 179.25 180.23 3kp1 h GLU 205 N 1.04 -0.02 -0.60 0.00 4.57 -1.39 -2.85 114.58 115.32 3kp1 h GLU 205 Ca 0.39 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.69 3kp1 h GLU 205 Cb 0.16 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.65 3kp1 h GLU 205 CO -0.17 0.67 0.02 0.77 -1.18 0.00 0.00 179.01 179.11 3kp1 h SER 206 N -0.75 -0.23 0.46 1.04 0.02 -0.80 -1.61 113.55 111.67 3kp1 h SER 206 Ca -0.00 0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3kp1 h SER 206 Cb 0.70 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3kp1 h SER 206 CO 0.00 -0.10 -0.56 0.11 -1.14 0.00 0.00 176.83 175.15 3kp1 h LYS 207 N 0.13 0.11 -0.54 3.45 1.57 -1.09 -1.64 116.57 118.56 3kp1 h LYS 207 Ca 0.32 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3kp1 h LYS 207 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3kp1 h LYS 207 CO -0.50 0.64 0.13 1.15 -0.57 0.00 0.00 179.45 180.30 3kp1 h THR 208 N 0.08 1.24 -0.41 -0.16 2.02 -1.09 0.20 112.91 114.80 3kp1 h THR 208 Ca -0.00 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3kp1 h THR 208 Cb 1.01 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3kp1 h THR 208 CO 0.08 0.32 0.07 0.40 0.37 0.00 0.00 175.52 176.75 3kp1 h ILE 209 N 0.77 1.24 -0.71 3.11 2.04 -1.09 -1.72 117.51 121.14 3kp1 h ILE 209 Ca 0.17 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3kp1 h ILE 209 Cb 0.34 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3kp1 h ILE 209 CO 0.00 0.30 0.37 0.24 0.00 0.00 0.00 178.15 179.06 3kp1 h MET 210 N 0.53 1.01 -0.69 2.37 2.86 -1.17 -1.48 114.93 118.35 3kp1 h MET 210 Ca 0.12 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kp1 h MET 210 Cb 0.37 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3kp1 h MET 210 CO 0.01 0.77 0.45 0.00 1.06 0.00 0.00 176.91 179.21 3kp1 h ALA 211 N 1.18 0.88 -0.64 6.32 0.00 -0.86 -2.03 119.26 124.12 3kp1 h ALA 211 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kp1 h ALA 211 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kp1 h ALA 211 CO -0.04 0.31 0.37 2.35 0.00 0.00 0.00 179.25 182.25 3kp1 h TRP 212 N 0.94 0.85 -0.02 0.00 7.01 -0.80 -2.20 115.95 121.73 3kp1 h TRP 212 Ca 0.25 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.25 3kp1 h TRP 212 Cb -0.10 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.69 3kp1 h TRP 212 CO -0.02 0.58 0.00 0.00 -2.79 0.00 0.00 178.44 176.21 3kp1 n ALA 213 N -2.44 2.60 -4.07 2.65 0.00 -0.60 -4.90 120.51 113.75 3kp1 n ALA 213 Ca 0.06 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 3kp1 n ALA 213 Cb 0.08 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kp1 n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kp1 n ASP 214 N -0.62 -3.55 -4.85 0.00 2.03 -0.83 -3.55 116.55 105.18 3kp1 n ASP 214 Ca 0.15 -0.92 -0.32 0.00 0.52 0.00 0.00 54.79 54.22 3kp1 n ASP 214 Cb 0.11 -3.25 -0.06 0.00 -0.72 0.00 0.00 41.12 37.19 3kp1 n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kp1 s MET 215 N -6.75 4.03 0.26 -0.67 -1.94 -0.84 -2.02 119.30 111.37 3kp1 s MET 215 Ca 0.62 0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 55.06 3kp1 s MET 215 Cb -0.33 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 34.05 3kp1 s MET 215 CO 0.88 0.10 0.94 0.00 -0.01 0.00 0.00 175.02 176.93 3kp1 s ALA 216 N -2.07 3.31 -0.13 3.03 0.00 -0.80 -4.82 121.76 120.28 3kp1 s ALA 216 Ca 0.56 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 3kp1 s ALA 216 Cb -0.10 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3kp1 s ALA 216 CO 0.18 0.20 -0.13 -1.14 0.00 0.00 0.00 175.76 174.87 3kp1 s GLN 217 N -1.41 3.35 -0.10 0.00 0.74 -0.30 -0.90 119.66 121.04 3kp1 s GLN 217 Ca 0.43 -0.68 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 3kp1 s GLN 217 Cb -0.24 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 3kp1 s GLN 217 CO 0.30 0.23 -0.01 0.42 -0.55 0.00 0.00 175.29 175.68 3kp1 s ILE 218 N 0.30 4.19 0.52 -2.34 1.01 -0.34 -0.91 121.20 123.62 3kp1 s ILE 218 Ca -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 3kp1 s ILE 218 Cb -0.16 -2.77 0.11 0.00 0.01 0.00 0.00 42.46 39.65 3kp1 s ILE 218 CO 0.05 0.58 0.70 -0.90 0.00 0.00 0.00 174.94 175.38 3kp1 n ASP 219 N 2.44 0.48 -0.79 3.58 5.68 -0.90 -2.03 116.55 125.01 3kp1 n ASP 219 Ca -0.18 -1.52 0.07 0.00 -0.50 0.00 0.00 54.79 52.66 3kp1 n ASP 219 Cb 0.53 -0.50 0.18 0.00 -1.14 0.00 0.00 41.12 40.19 3kp1 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp1 n GLY 223 N 0.02 2.30 0.33 6.12 0.00 -1.26 -4.60 105.19 108.09 3kp1 n GLY 223 Ca 0.10 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3kp1 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h ALA 224 N 2.64 2.00 -0.35 4.61 0.00 -1.93 -1.03 119.26 125.21 3kp1 h ALA 224 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3kp1 h ALA 224 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kp1 h ALA 224 CO 0.00 -0.09 0.45 1.12 0.00 0.00 0.00 179.25 180.73 3kp1 h HIS 225 N 0.33 0.00 -0.12 0.00 2.07 -1.84 0.33 115.15 115.91 3kp1 h HIS 225 Ca 0.20 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.69 3kp1 h HIS 225 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 3kp1 h HIS 225 CO -0.00 0.00 -0.09 -0.91 -3.07 0.00 0.00 177.93 173.86 3kp1 h ASN 226 N 0.00 0.17 0.22 3.10 2.35 -1.55 -2.56 115.58 117.30 3kp1 h ASN 226 Ca 0.16 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3kp1 h ASN 226 Cb 1.07 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3kp1 h ASN 226 CO -0.00 0.29 -0.35 0.00 -1.65 0.00 0.00 177.43 175.72 3kp1 h ALA 227 N 1.73 1.23 -0.13 -0.83 0.00 -1.13 -2.37 119.26 117.76 3kp1 h ALA 227 Ca 0.04 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kp1 h ALA 227 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3kp1 h ALA 227 CO 0.02 0.53 -0.09 -0.91 0.00 0.00 0.00 179.25 178.80 3kp1 h ASN 228 N 0.17 -0.28 0.31 0.00 4.21 -1.54 -1.99 115.58 116.46 3kp1 h ASN 228 Ca 0.02 0.06 -0.10 0.00 1.21 0.00 0.00 56.30 57.50 3kp1 h ASN 228 Cb 0.71 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 3kp1 h ASN 228 CO 0.05 -0.12 -0.41 0.00 -1.29 0.00 0.00 177.43 175.67 3kp1 h ALA 229 N 1.02 1.20 -0.01 -0.83 0.00 -1.47 -2.83 119.26 116.34 3kp1 h ALA 229 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kp1 h ALA 229 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kp1 h ALA 229 CO -0.19 0.56 -0.44 0.25 0.00 0.00 0.00 179.25 179.43 3kp1 n THR 230 N -4.04 0.00 -2.39 0.00 -2.24 -0.91 -4.92 114.28 99.78 3kp1 n THR 230 Ca -0.02 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3kp1 n THR 230 Cb 0.46 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3kp1 n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kp1 s ALA 231 N -2.71 3.03 0.04 6.98 0.00 -0.75 -4.94 121.76 123.40 3kp1 s ALA 231 Ca 0.18 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 3kp1 s ALA 231 Cb 0.18 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.76 3kp1 s ALA 231 CO 0.62 -0.45 1.18 0.00 0.00 0.00 0.00 175.76 177.11 3kp1 h ARG 232 N 2.25 0.55 -3.75 0.00 2.47 -1.88 -3.41 114.38 110.60 3kp1 h ARG 232 Ca -0.49 -0.53 -0.54 0.00 -1.26 0.00 0.00 59.98 57.16 3kp1 h ARG 232 Cb 1.23 0.13 -0.39 0.00 -1.65 0.00 0.00 29.97 29.29 3kp1 h ARG 232 CO 0.61 1.15 -0.77 -1.21 0.56 0.00 0.00 179.97 180.31 3kp1 s GLU 233 N -3.43 0.90 0.46 0.04 8.01 -1.26 -5.03 118.70 118.40 3kp1 s GLU 233 Ca -0.12 -0.58 0.31 0.00 0.01 0.00 0.00 54.97 54.59 3kp1 s GLU 233 Cb 0.05 -2.24 1.43 0.00 -4.31 0.00 0.00 34.13 29.07 3kp1 s GLU 233 CO 0.85 -0.64 1.94 0.00 0.01 0.00 0.00 175.26 177.43 3kp1 h ALA 234 N 8.17 1.00 0.00 5.21 0.00 -1.82 -0.44 119.26 131.37 3kp1 h ALA 234 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kp1 h ALA 234 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kp1 h ALA 234 CO 0.36 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.94 3kp1 n TRP 235 N -2.75 0.00 0.39 0.00 2.14 -1.26 -2.97 117.44 112.99 3kp1 n TRP 235 Ca 0.00 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.62 3kp1 n TRP 235 Cb 0.21 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.73 3kp1 n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kp1 n LYS 236 N -0.90 1.07 0.00 -2.67 5.02 -0.18 -4.67 118.16 115.83 3kp1 n LYS 236 Ca 0.14 -0.85 0.12 0.00 -2.02 0.00 0.00 58.31 55.70 3kp1 n LYS 236 Cb 0.06 -1.12 0.14 0.00 -0.02 0.00 0.00 35.03 34.09 3kp1 n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kp1 n VAL 237 N 0.19 0.00 -0.19 -0.18 3.14 -1.16 -4.27 118.33 115.86 3kp1 n VAL 237 Ca 0.05 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 3kp1 n VAL 237 Cb 0.21 1.07 0.11 0.00 -1.06 0.00 0.00 33.84 34.17 3kp1 n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kp1 h MET 238 N 2.65 0.29 -0.83 1.45 2.86 -1.83 -0.91 114.93 118.61 3kp1 h MET 238 Ca 0.00 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3kp1 h MET 238 Cb 0.74 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 3kp1 h MET 238 CO 0.00 0.19 0.53 -1.35 1.06 0.00 0.00 176.91 177.34 3kp1 h PRO 239 N 0.30 1.02 -0.69 -0.22 0.11 -1.89 -1.35 132.00 129.27 3kp1 h PRO 239 Ca 0.31 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 3kp1 h PRO 239 Cb 0.43 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 3kp1 h PRO 239 CO -0.37 0.67 0.17 1.49 -0.21 0.00 0.00 178.00 179.76 3kp1 h GLU 240 N 1.05 1.11 -0.25 1.05 4.81 -1.60 -2.42 114.58 118.33 3kp1 h GLU 240 Ca 0.33 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3kp1 h GLU 240 Cb -0.01 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3kp1 h GLU 240 CO -0.11 0.98 0.07 -0.07 -0.73 0.00 0.00 179.01 179.15 3kp1 h LEU 241 N 1.04 0.06 -0.80 1.64 3.38 -0.71 0.04 115.31 119.95 3kp1 h LEU 241 Ca 0.22 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3kp1 h LEU 241 Cb 0.37 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3kp1 h LEU 241 CO 0.00 0.07 0.50 0.24 0.09 0.00 0.00 178.44 179.34 3kp1 h MET 242 N 0.18 0.92 -0.20 1.13 2.86 -1.07 0.43 114.93 119.18 3kp1 h MET 242 Ca 0.11 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3kp1 h MET 242 Cb 0.10 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3kp1 h MET 242 CO -0.13 0.61 0.05 0.28 1.06 0.00 0.00 176.91 178.77 3kp1 h VAL 243 N 0.95 1.21 -0.54 -2.22 2.07 -1.01 -0.62 116.25 116.08 3kp1 h VAL 243 Ca 0.33 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kp1 h VAL 243 Cb 0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3kp1 h VAL 243 CO -0.14 0.21 0.33 1.56 0.02 0.00 0.00 177.57 179.55 3kp1 h GLN 244 N 0.14 0.74 -0.47 1.57 4.20 -0.46 -0.71 115.11 120.10 3kp1 h GLN 244 Ca 0.06 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3kp1 h GLN 244 Cb 0.27 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3kp1 h GLN 244 CO 0.00 0.53 0.25 0.45 -0.67 0.00 0.00 178.83 179.39 3kp1 h HIS 245 N 0.73 0.47 -0.08 2.96 3.86 -0.89 -2.77 115.15 119.43 3kp1 h HIS 245 Ca 0.20 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3kp1 h HIS 245 Cb -0.02 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 3kp1 h HIS 245 CO -0.03 0.25 0.02 0.00 0.86 0.00 0.00 177.93 179.03 3kp1 h ALA 246 N 1.24 0.11 -0.12 2.45 0.00 -0.42 -1.50 119.26 121.02 3kp1 h ALA 246 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kp1 h ALA 246 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kp1 h ALA 246 CO -0.13 -0.26 0.04 -0.07 0.00 0.00 0.00 179.25 178.84 3kp1 h LEU 247 N -0.09 0.04 -1.05 0.00 3.38 -1.13 -0.91 115.31 115.56 3kp1 h LEU 247 Ca 0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kp1 h LEU 247 Cb 0.26 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kp1 h LEU 247 CO 0.00 0.04 -0.18 -1.13 0.09 0.00 0.00 178.44 177.27 3kp1 h ASN 248 N 0.10 0.46 0.17 -0.43 -1.24 -1.51 -1.30 115.58 111.84 3kp1 h ASN 248 Ca 0.05 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 3kp1 h ASN 248 Cb 0.03 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3kp1 h ASN 248 CO -0.05 0.66 -0.08 0.28 -1.29 0.00 0.00 177.43 176.94 3kp1 h SER 249 N 0.43 -0.20 0.09 1.15 0.02 -0.75 -0.52 113.55 113.77 3kp1 h SER 249 Ca 0.07 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 3kp1 h SER 249 Cb 0.56 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3kp1 h SER 249 CO 0.04 0.12 -0.48 -0.29 -1.14 0.00 0.00 176.83 175.07 3kp1 h ILE 250 N -0.53 1.32 0.07 3.27 6.09 -1.18 -0.38 117.51 126.17 3kp1 h ILE 250 Ca -0.02 -1.70 0.02 0.00 -1.37 0.00 0.00 64.86 61.78 3kp1 h ILE 250 Cb 0.40 1.72 -0.02 0.00 0.47 0.00 0.00 36.82 39.39 3kp1 h ILE 250 CO 0.04 0.52 -0.16 0.15 -3.07 0.00 0.00 178.15 175.63 3kp1 h PHE 251 N 0.36 -0.43 -0.24 2.19 3.57 -1.26 0.15 116.94 121.29 3kp1 h PHE 251 Ca 0.02 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3kp1 h PHE 251 Cb 0.98 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3kp1 h PHE 251 CO 0.03 -0.24 -0.06 0.77 -2.23 0.00 0.00 178.31 176.58 3kp1 h SER 252 N -0.31 -0.23 -0.56 0.41 0.02 -0.91 -0.68 113.55 111.29 3kp1 h SER 252 Ca 0.03 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kp1 h SER 252 Cb 0.34 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3kp1 h SER 252 CO -0.11 -0.08 0.34 0.25 -1.14 0.00 0.00 176.83 176.08 3kp1 h LEU 253 N -0.00 0.68 -1.13 5.07 5.85 -0.91 -1.97 115.31 122.90 3kp1 h LEU 253 Ca 0.12 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3kp1 h LEU 253 Cb 0.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kp1 h LEU 253 CO -0.25 0.54 -0.29 0.11 -0.34 0.00 0.00 178.44 178.21 3kp1 h LYS 254 N 0.76 0.25 0.00 1.25 1.79 -0.72 -1.83 116.57 118.07 3kp1 h LYS 254 Ca 0.20 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 3kp1 h LYS 254 Cb -0.01 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3kp1 h LYS 254 CO -0.04 0.52 -0.22 0.28 -1.08 0.00 0.00 179.45 178.91 3kp1 h VAL 255 N 0.22 1.14 0.00 0.50 2.07 -0.62 -3.46 116.25 116.10 3kp1 h VAL 255 Ca 0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kp1 h VAL 255 Cb 0.63 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3kp1 h VAL 255 CO 0.05 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.46 3kp1 n GLY 256 N -0.88 0.27 3.77 2.17 0.00 -0.69 -4.87 105.19 104.96 3kp1 n GLY 256 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3kp1 n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kp1 s MET 257 N 0.00 3.83 0.40 1.61 -1.94 -0.79 -4.99 119.30 117.42 3kp1 s MET 257 Ca 0.00 1.89 -0.25 0.00 -1.71 0.00 0.00 55.69 55.62 3kp1 s MET 257 Cb 0.00 -2.53 -0.08 0.00 2.01 0.00 0.00 34.83 34.23 3kp1 s MET 257 CO 0.00 -0.53 1.13 0.15 -0.01 0.00 0.00 175.02 175.77 3kp1 s LYS 258 N -2.52 4.09 0.28 2.03 1.02 -1.26 -4.38 119.74 118.99 3kp1 s LYS 258 Ca 0.61 1.74 -0.01 0.00 0.02 0.00 0.00 55.97 58.33 3kp1 s LYS 258 Cb -0.32 -2.64 0.47 0.00 -0.52 0.00 0.00 37.83 34.82 3kp1 s LYS 258 CO 0.39 -0.26 1.89 0.87 -0.92 0.00 0.00 175.35 177.32 3kp1 h LYS 259 N 2.60 1.07 0.00 1.68 1.57 -1.94 -1.33 116.57 120.23 3kp1 h LYS 259 Ca -0.49 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3kp1 h LYS 259 Cb 1.23 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kp1 h LYS 259 CO 0.62 0.71 0.00 -1.13 -0.57 0.00 0.00 179.45 179.08 3kp1 n SER 260 N -4.50 0.00 -0.47 0.86 3.41 -1.26 -0.91 113.62 110.74 3kp1 n SER 260 Ca 0.15 0.25 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 3kp1 n SER 260 Cb 0.21 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 3kp1 n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kp1 n ASN 261 N -1.37 1.89 -4.51 4.04 3.02 -0.52 -4.82 115.26 112.99 3kp1 n ASN 261 Ca 0.05 -1.45 -0.43 0.00 -0.03 0.00 0.00 54.58 52.73 3kp1 n ASN 261 Cb 0.13 0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 3kp1 n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kp1 s ILE 262 N -1.62 4.98 -0.20 2.41 1.01 -0.09 -1.15 121.20 126.54 3kp1 s ILE 262 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 3kp1 s ILE 262 Cb 0.13 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 3kp1 s ILE 262 CO 0.31 -0.45 -0.02 0.00 0.00 0.00 0.00 174.94 174.78 3kp1 s LEU 264 N 1.04 4.35 -0.64 0.00 1.02 -0.75 -2.13 118.68 121.58 3kp1 s LEU 264 Ca 0.01 1.52 -0.21 0.00 0.02 0.00 0.00 54.13 55.48 3kp1 s LEU 264 Cb -0.14 -3.43 0.09 0.00 0.02 0.00 0.00 46.19 42.72 3kp1 s LEU 264 CO 0.01 -0.23 0.84 -0.55 0.02 0.00 0.00 176.35 176.44 3kp1 s SER 265 N 0.96 6.20 -0.21 2.29 0.15 -1.26 -0.48 113.70 121.35 3kp1 s SER 265 Ca 0.48 -1.26 0.02 0.00 0.70 0.00 0.00 55.95 55.88 3kp1 s SER 265 Cb -0.20 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3kp1 s SER 265 CO 0.25 -1.26 -0.14 0.28 1.20 0.00 0.00 173.24 173.56 3kp1 s THR 266 N 3.32 1.95 -0.19 6.45 -1.32 -0.49 -3.58 115.64 121.78 3kp1 s THR 266 Ca 0.17 -1.17 -0.06 0.00 -1.21 0.00 0.00 61.69 59.42 3kp1 s THR 266 Cb -0.20 -1.94 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 3kp1 s THR 266 CO 0.07 0.25 0.03 -0.69 -2.21 0.00 0.00 174.62 172.07 3kp1 s VAL 267 N 1.27 4.31 0.18 5.08 1.01 -1.26 -2.09 120.40 128.90 3kp1 s VAL 267 Ca -0.01 -0.19 -0.33 0.00 0.00 0.00 0.00 61.98 61.44 3kp1 s VAL 267 Cb -0.16 -2.95 -0.14 0.00 0.00 0.00 0.00 36.38 33.13 3kp1 s VAL 267 CO -0.09 0.44 1.54 -2.65 0.00 0.00 0.00 175.10 174.34 3kp1 n PRO 268 N 3.96 2.15 0.26 2.72 -0.02 -1.26 -4.86 135.00 137.95 3kp1 n PRO 268 Ca -0.17 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 3kp1 n PRO 268 Cb 0.52 -2.52 0.56 0.00 -0.02 0.00 0.00 33.50 32.04 3kp1 n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kp1 h PRO 269 N 5.55 0.00 -5.02 0.52 0.11 -1.92 -3.45 132.00 127.79 3kp1 h PRO 269 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 3kp1 h PRO 269 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 3kp1 h PRO 269 CO 0.86 0.01 -0.53 0.95 -0.21 0.00 0.00 178.00 179.08 3kp1 s THR 270 N -3.57 0.57 0.10 -1.15 -4.23 -1.26 -4.50 115.64 101.61 3kp1 s THR 270 Ca 0.02 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 3kp1 s THR 270 Cb 0.08 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3kp1 s THR 270 CO 0.58 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.90 3kp1 s ALA 271 N -3.31 -0.41 0.54 3.99 0.00 -1.26 -4.89 121.76 116.42 3kp1 s ALA 271 Ca 0.28 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 3kp1 s ALA 271 Cb 0.04 0.54 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 3kp1 s ALA 271 CO 0.16 -0.54 1.15 -2.30 0.00 0.00 0.00 175.76 174.22 3kp1 n PRO 272 N -0.10 1.36 -0.07 0.00 -0.02 -1.26 -1.41 135.00 133.50 3kp1 n PRO 272 Ca -0.15 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 3kp1 n PRO 272 Cb 0.63 -2.32 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 3kp1 n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kp1 n PRO 273 N -0.74 1.38 -1.76 0.52 -0.04 -1.26 -5.07 135.00 128.03 3kp1 n PRO 273 Ca 0.11 -0.58 -0.37 0.00 -0.04 0.00 0.00 63.50 62.63 3kp1 n PRO 273 Cb 0.44 -1.21 0.07 0.00 -0.04 0.00 0.00 33.50 32.75 3kp1 n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kp1 s ALA 274 N -1.82 2.38 -1.16 0.55 0.00 -0.50 -4.87 121.76 116.34 3kp1 s ALA 274 Ca 0.19 1.17 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 3kp1 s ALA 274 Cb 0.09 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3kp1 s ALA 274 CO 0.14 -1.56 1.91 -0.35 0.00 0.00 0.00 175.76 175.90 3kp1 n PRO 275 N -1.92 1.85 -0.14 0.00 -0.04 -1.26 -4.77 135.00 128.72 3kp1 n PRO 275 Ca 0.15 -2.51 -0.12 0.00 -0.04 0.00 0.00 63.50 60.98 3kp1 n PRO 275 Cb 0.48 -3.58 -0.01 0.00 -0.04 0.00 0.00 33.50 30.35 3kp1 n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kp1 h SER 276 N 9.06 0.90 -0.53 3.54 4.64 -1.89 -1.80 113.55 127.48 3kp1 h SER 276 Ca 0.29 -0.40 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 3kp1 h SER 276 Cb 0.89 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3kp1 h SER 276 CO 1.37 1.10 -0.02 0.24 -0.87 0.00 0.00 176.83 178.65 3kp1 h MET 277 N 0.70 0.94 -0.74 4.77 2.86 -1.93 0.15 114.93 121.69 3kp1 h MET 277 Ca 0.10 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3kp1 h MET 277 Cb 0.75 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 3kp1 h MET 277 CO 0.06 0.96 0.37 -0.92 1.06 0.00 0.00 176.91 178.44 3kp1 h TYR 278 N 0.81 1.05 -0.20 -0.22 3.20 -1.91 0.32 116.97 120.02 3kp1 h TYR 278 Ca 0.15 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 3kp1 h TYR 278 Cb 0.55 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kp1 h TYR 278 CO 0.04 0.77 -0.67 -0.07 -1.64 0.00 0.00 178.16 176.59 3kp1 h LEU 279 N 1.03 0.94 0.00 2.82 3.38 -1.19 -3.38 115.31 118.92 3kp1 h LEU 279 Ca 0.26 -0.59 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 3kp1 h LEU 279 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3kp1 h LEU 279 CO -0.03 1.37 -1.53 0.44 0.09 0.00 0.00 178.44 178.77 3kp1 h ASP 280 N 0.56 0.00 -0.50 -0.43 3.32 -0.82 -3.39 116.42 115.17 3kp1 h ASP 280 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3kp1 h ASP 280 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3kp1 h ASP 280 CO 0.14 0.82 0.22 0.25 -1.72 0.00 0.00 179.24 178.95 3kp1 h LEU 281 N 0.00 0.67 -1.23 1.55 5.85 -1.10 -1.24 115.31 119.80 3kp1 h LEU 281 Ca -0.22 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3kp1 h LEU 281 Cb 1.82 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 3kp1 h LEU 281 CO 0.07 0.63 0.09 -0.65 -0.34 0.00 0.00 178.44 178.25 3kp1 h PRO 282 N 0.66 0.62 -0.05 5.25 0.11 -1.77 -1.04 132.00 135.79 3kp1 h PRO 282 Ca 0.17 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3kp1 h PRO 282 Cb 0.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3kp1 h PRO 282 CO -0.02 0.58 0.02 -0.92 -0.21 0.00 0.00 178.00 177.45 3kp1 h TYR 283 N 0.61 0.08 -0.74 0.65 3.20 -1.70 -0.11 116.97 118.96 3kp1 h TYR 283 Ca 0.14 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3kp1 h TYR 283 Cb 0.24 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3kp1 h TYR 283 CO 0.01 0.23 0.42 0.00 -1.64 0.00 0.00 178.16 177.18 3kp1 h ALA 284 N 0.84 1.01 -0.19 1.82 0.00 -0.61 0.11 119.26 122.23 3kp1 h ALA 284 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kp1 h ALA 284 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kp1 h ALA 284 CO -0.00 0.09 -0.08 0.28 0.00 0.00 0.00 179.25 179.54 3kp1 h VAL 285 N 0.75 1.30 -0.26 0.00 2.07 -1.15 -2.45 116.25 116.52 3kp1 h VAL 285 Ca 0.34 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3kp1 h VAL 285 Cb 0.23 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kp1 h VAL 285 CO -0.20 0.34 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 3kp1 h ALA 286 N 0.70 0.20 -0.40 1.67 0.00 -0.61 -0.76 119.26 120.05 3kp1 h ALA 286 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kp1 h ALA 286 Cb 0.56 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3kp1 h ALA 286 CO 0.03 -0.44 0.19 1.25 0.00 0.00 0.00 179.25 180.27 3kp1 h LEU 287 N 0.04 0.26 -0.98 0.00 5.85 -0.97 -1.18 115.31 118.34 3kp1 h LEU 287 Ca 0.12 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3kp1 h LEU 287 Cb 0.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3kp1 h LEU 287 CO -0.24 0.19 -0.50 0.03 -0.34 0.00 0.00 178.44 177.58 3kp1 h ARG 288 N 0.39 0.00 -0.10 1.25 3.08 -1.07 -1.17 114.38 116.75 3kp1 h ARG 288 Ca 0.18 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3kp1 h ARG 288 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kp1 h ARG 288 CO -0.14 0.50 -0.32 0.93 -1.07 0.00 0.00 179.97 179.88 3kp1 h GLU 289 N 0.00 0.40 0.00 0.04 5.08 -0.86 -2.94 114.58 116.30 3kp1 h GLU 289 Ca -0.01 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 3kp1 h GLU 289 Cb 0.91 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3kp1 h GLU 289 CO 0.07 0.91 -0.33 1.98 -1.00 0.00 0.00 179.01 180.64 3kp1 h MET 290 N -0.04 0.00 -0.51 2.33 4.05 -1.05 -3.15 114.93 116.56 3kp1 h MET 290 Ca -0.01 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.13 3kp1 h MET 290 Cb 0.94 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 31.57 3kp1 h MET 290 CO 0.07 0.33 0.05 1.19 0.23 0.00 0.00 176.91 178.78 3kp1 n PHE 291 N -4.10 1.61 -1.62 1.39 3.72 -0.46 -5.02 117.46 112.99 3kp1 n PHE 291 Ca -0.02 -1.75 -0.44 0.00 -0.05 0.00 0.00 57.45 55.19 3kp1 n PHE 291 Cb 0.37 -0.61 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 3kp1 n PHE 291 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kp1 n GLU 292 N -1.11 1.57 0.00 -1.08 1.02 -1.11 -1.59 120.64 118.34 3kp1 n GLU 292 Ca 0.40 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 3kp1 n GLU 292 Cb 1.14 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 3kp1 n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kp1 n GLY 293 N 1.17 3.00 3.93 0.62 0.00 -1.26 -5.04 105.19 107.61 3kp1 n GLY 293 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3kp1 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kp1 s TYR 294 N -2.66 3.33 0.36 1.61 2.02 -0.62 -4.36 117.35 117.03 3kp1 s TYR 294 Ca 0.00 0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 57.06 3kp1 s TYR 294 Cb 0.00 -2.41 -0.08 0.00 -0.40 0.00 0.00 41.96 39.07 3kp1 s TYR 294 CO 0.00 -0.45 0.76 1.03 -1.57 0.00 0.00 175.55 175.32 3kp1 s ARG 295 N -4.71 3.91 -0.21 -0.62 1.81 -0.25 -5.01 118.95 113.87 3kp1 s ARG 295 Ca 0.49 0.60 -0.03 0.00 -1.72 0.00 0.00 55.73 55.07 3kp1 s ARG 295 Cb -0.10 -2.40 -0.00 0.00 -0.45 0.00 0.00 34.95 31.99 3kp1 s ARG 295 CO 0.41 0.06 -0.07 -1.64 -0.68 0.00 0.00 175.30 173.38 3kp1 s MET 296 N -3.38 3.31 -0.54 3.54 -1.94 -1.26 -1.80 119.30 117.23 3kp1 s MET 296 Ca 0.53 -0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 53.74 3kp1 s MET 296 Cb -0.10 -2.92 0.14 0.00 2.01 0.00 0.00 34.83 33.95 3kp1 s MET 296 CO 0.24 -0.18 0.44 0.50 -0.01 0.00 0.00 175.02 176.00 3kp1 s ARG 297 N 1.41 2.73 0.34 2.03 3.00 0.37 -0.51 118.95 128.32 3kp1 s ARG 297 Ca 0.05 -1.89 -0.26 0.00 -1.00 0.00 0.00 55.73 52.63 3kp1 s ARG 297 Cb -0.14 -4.06 -0.09 0.00 0.00 0.00 0.00 34.95 30.66 3kp1 s ARG 297 CO -0.05 -1.24 1.00 0.00 0.00 0.00 0.00 175.30 175.02 3kp1 s ALA 298 N 1.17 3.20 0.04 6.12 0.00 -0.22 -1.39 121.76 130.68 3kp1 s ALA 298 Ca 0.07 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3kp1 s ALA 298 Cb -0.25 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3kp1 s ALA 298 CO -0.01 0.00 -0.05 -1.14 0.00 0.00 0.00 175.76 174.56 3kp1 s GLN 299 N -2.10 0.51 0.42 0.00 2.00 -0.89 -0.67 119.66 118.94 3kp1 s GLN 299 Ca 0.52 -0.87 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 3kp1 s GLN 299 Cb -0.22 -0.05 -0.01 0.00 0.80 0.00 0.00 33.01 33.53 3kp1 s GLN 299 CO 0.28 -0.02 0.64 -1.64 -0.50 0.00 0.00 175.29 174.04 3kp1 s MET 300 N -2.28 3.19 0.19 1.67 -1.94 -1.26 -4.15 119.30 114.72 3kp1 s MET 300 Ca -0.06 -0.44 -0.33 0.00 -1.71 0.00 0.00 55.69 53.16 3kp1 s MET 300 Cb -0.05 -2.58 -0.13 0.00 2.01 0.00 0.00 34.83 34.08 3kp1 s MET 300 CO -0.03 -0.15 1.65 -1.71 -0.01 0.00 0.00 175.02 174.77 3kp1 n ASN 301 N -2.00 3.56 0.00 3.03 5.15 -1.26 -4.89 115.26 118.85 3kp1 n ASN 301 Ca -0.00 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 3kp1 n ASN 301 Cb 0.57 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 3kp1 n ASN 301 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3kp1 n THR 302 N 3.68 0.00 -0.05 -0.44 -2.24 -1.26 -4.89 114.28 109.07 3kp1 n THR 302 Ca 0.16 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 3kp1 n THR 302 Cb 0.32 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 3kp1 n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kp1 h LYS 303 N 0.00 0.43 -2.60 -0.78 3.64 -1.96 -3.32 116.57 111.98 3kp1 h LYS 303 Ca 0.00 -0.26 -0.75 0.00 -1.27 0.00 0.00 60.65 58.37 3kp1 h LYS 303 Cb 0.24 0.03 -0.32 0.00 -0.41 0.00 0.00 32.23 31.77 3kp1 h LYS 303 CO 0.00 0.85 0.46 0.66 -2.27 0.00 0.00 179.45 179.15 3kp1 n TYR 304 N -4.45 2.74 -3.98 1.91 4.01 -1.26 -4.96 117.16 111.17 3kp1 n TYR 304 Ca -0.06 -2.98 -0.09 0.00 -0.16 0.00 0.00 57.90 54.61 3kp1 n TYR 304 Cb 0.43 -1.05 -0.11 0.00 -0.31 0.00 0.00 39.34 38.31 3kp1 n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kp1 s MET 305 N -3.08 0.37 0.00 -0.72 1.75 -1.25 -4.86 119.30 111.50 3kp1 s MET 305 Ca 0.36 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 3kp1 s MET 305 Cb 0.11 0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.92 3kp1 s MET 305 CO 0.02 -0.07 0.00 0.39 -0.65 0.00 0.00 175.02 174.72 3kp1 n GLU 306 N 1.39 1.98 -0.01 4.11 -0.58 -1.26 -4.94 120.64 121.32 3kp1 n GLU 306 Ca -0.23 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.65 3kp1 n GLU 306 Cb 0.56 0.00 0.51 0.00 -0.57 0.00 0.00 31.44 31.94 3kp1 n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kp1 n ALA 307 N -3.00 2.57 -2.60 0.62 0.00 -1.26 -4.06 120.51 112.77 3kp1 n ALA 307 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 3kp1 n ALA 307 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 3kp1 n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kp1 s SER 308 N -1.94 6.56 0.29 0.00 0.15 -1.26 -4.80 113.70 112.71 3kp1 s SER 308 Ca 0.37 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.58 3kp1 s SER 308 Cb 0.21 -2.36 0.44 0.00 -1.71 0.00 0.00 66.02 62.60 3kp1 s SER 308 CO 0.33 -0.55 1.72 0.71 1.20 0.00 0.00 173.24 176.65 3kp1 h THR 309 N 5.58 1.28 0.20 6.45 1.35 -1.89 -1.96 112.91 123.92 3kp1 h THR 309 Ca -0.26 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 3kp1 h THR 309 Cb 1.11 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3kp1 h THR 309 CO 0.84 0.41 -0.12 -0.09 -0.25 0.00 0.00 175.52 176.32 3kp1 h ARG 310 N 0.33 -0.29 -0.73 4.72 2.43 -1.92 -1.49 114.38 117.42 3kp1 h ARG 310 Ca 0.04 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3kp1 h ARG 310 Cb 0.71 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 3kp1 h ARG 310 CO 0.05 -0.20 0.46 1.49 -1.51 0.00 0.00 179.97 180.27 3kp1 h GLU 311 N -0.30 0.88 -0.46 0.20 4.81 -1.92 -1.83 114.58 115.95 3kp1 h GLU 311 Ca -0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3kp1 h GLU 311 Cb 0.25 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3kp1 h GLU 311 CO 0.03 0.58 0.17 0.00 -0.73 0.00 0.00 179.01 179.06 3kp1 h ALA 312 N 1.31 0.60 -0.45 2.92 0.00 -1.24 -2.41 119.26 119.99 3kp1 h ALA 312 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kp1 h ALA 312 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kp1 h ALA 312 CO -0.11 0.23 0.30 1.15 0.00 0.00 0.00 179.25 180.82 3kp1 h THR 313 N 0.61 1.12 -0.47 0.00 2.02 -0.90 -0.09 112.91 115.20 3kp1 h THR 313 Ca 0.15 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kp1 h THR 313 Cb 0.22 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kp1 h THR 313 CO -0.01 0.11 0.25 0.58 0.37 0.00 0.00 175.52 176.82 3kp1 h VAL 314 N 0.61 1.17 -0.74 3.16 2.07 -1.19 -0.82 116.25 120.52 3kp1 h VAL 314 Ca 0.17 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3kp1 h VAL 314 Cb -0.07 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3kp1 h VAL 314 CO -0.04 0.18 0.41 0.74 0.02 0.00 0.00 177.57 178.88 3kp1 h THR 315 N 0.61 1.22 -0.13 2.57 2.02 -1.13 -2.34 112.91 115.74 3kp1 h THR 315 Ca 0.16 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3kp1 h THR 315 Cb 0.07 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3kp1 h THR 315 CO -0.03 0.24 -0.25 0.45 0.37 0.00 0.00 175.52 176.31 3kp1 h HIS 316 N 1.03 0.24 -0.65 3.16 3.86 -0.07 -0.58 115.15 122.14 3kp1 h HIS 316 Ca 0.26 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 3kp1 h HIS 316 Cb 0.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3kp1 h HIS 316 CO 0.01 0.46 0.08 0.28 0.86 0.00 0.00 177.93 179.62 3kp1 h VAL 317 N 0.20 1.26 -0.84 2.45 2.07 -0.67 0.08 116.25 120.81 3kp1 h VAL 317 Ca 0.03 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 3kp1 h VAL 317 Cb 0.55 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3kp1 h VAL 317 CO 0.04 0.39 0.41 -0.07 0.02 0.00 0.00 177.57 178.36 3kp1 h LEU 318 N 1.00 1.09 -0.60 2.57 3.38 -0.93 -0.45 115.31 121.37 3kp1 h LEU 318 Ca 0.19 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kp1 h LEU 318 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kp1 h LEU 318 CO 0.02 0.92 0.40 0.78 0.09 0.00 0.00 178.44 180.64 3kp1 h ASN 319 N 1.19 0.69 -0.46 -0.43 -0.26 -0.64 -1.66 115.58 114.03 3kp1 h ASN 319 Ca 0.29 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.97 3kp1 h ASN 319 Cb 0.11 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 3kp1 h ASN 319 CO -0.04 0.50 0.15 -0.07 -1.06 0.00 0.00 177.43 176.92 3kp1 h LEU 320 N 0.82 0.70 -0.68 1.61 3.38 -0.31 -2.37 115.31 118.46 3kp1 h LEU 320 Ca 0.22 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3kp1 h LEU 320 Cb -0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3kp1 h LEU 320 CO -0.05 0.67 0.14 0.25 0.09 0.00 0.00 178.44 179.55 3kp1 h LEU 321 N 0.75 1.05 -0.67 1.67 5.85 -0.52 -0.58 115.31 122.86 3kp1 h LEU 321 Ca 0.17 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3kp1 h LEU 321 Cb 0.23 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3kp1 h LEU 321 CO -0.01 1.03 0.36 0.40 -0.34 0.00 0.00 178.44 179.88 3kp1 h ILE 322 N 1.03 0.94 -0.30 4.05 1.08 -0.94 -0.37 117.51 123.00 3kp1 h ILE 322 Ca 0.21 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3kp1 h ILE 322 Cb 0.41 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3kp1 h ILE 322 CO 0.01 0.12 0.13 0.28 -0.69 0.00 0.00 178.15 178.00 3kp1 h SER 323 N 0.65 0.40 -0.68 1.72 0.02 -0.87 -2.41 113.55 112.38 3kp1 h SER 323 Ca 0.30 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3kp1 h SER 323 Cb 0.22 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3kp1 h SER 323 CO -0.20 0.43 0.37 0.50 -1.14 0.00 0.00 176.83 176.79 3kp1 h LYS 324 N 0.34 0.96 0.00 3.45 1.63 -0.72 -1.79 116.57 120.44 3kp1 h LYS 324 Ca 0.10 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kp1 h LYS 324 Cb 0.15 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3kp1 h LYS 324 CO -0.01 0.71 0.00 -0.07 -3.45 0.00 0.00 179.45 176.63 3kp1 h LEU 325 N 0.97 0.00 0.00 5.20 3.38 -0.89 -3.44 115.31 120.53 3kp1 h LEU 325 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kp1 h LEU 325 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kp1 h LEU 325 CO -0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.84 3kp1 n THR 326 N -2.70 0.00 -3.63 0.22 -2.24 -0.86 -4.90 114.28 100.18 3kp1 n THR 326 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3kp1 n THR 326 Cb 0.36 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3kp1 n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kp1 s ARG 327 N 0.85 0.62 -0.05 -0.78 3.52 -0.73 -5.03 118.95 117.35 3kp1 s ARG 327 Ca 0.00 0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 56.26 3kp1 s ARG 327 Cb 0.00 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 3kp1 s ARG 327 CO 0.00 -0.09 0.04 0.00 -0.81 0.00 0.00 175.30 174.44 3kp1 s ALA 328 N 0.15 0.41 0.00 6.12 0.00 -1.25 -4.86 121.76 122.33 3kp1 s ALA 328 Ca 0.02 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 3kp1 s ALA 328 Cb -0.05 -0.66 -0.34 0.00 0.00 0.00 0.00 23.12 22.08 3kp1 s ALA 328 CO -0.03 -0.46 0.88 -0.44 0.00 0.00 0.00 175.76 175.71 3kp1 h ASP 329 N 8.36 0.76 -3.87 0.00 3.32 -1.19 -3.42 116.42 120.39 3kp1 h ASP 329 Ca -0.16 -0.91 -0.69 0.00 0.02 0.00 0.00 57.03 55.29 3kp1 h ASP 329 Cb 1.12 -0.25 -0.31 0.00 0.22 0.00 0.00 39.33 40.11 3kp1 h ASP 329 CO 0.20 1.73 -0.87 -0.63 -1.72 0.00 0.00 179.24 177.95 3kp1 s ILE 330 N -2.59 2.15 -0.33 0.35 1.01 -0.74 -2.35 121.20 118.70 3kp1 s ILE 330 Ca -0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 3kp1 s ILE 330 Cb 0.05 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.80 3kp1 s ILE 330 CO 0.91 0.57 0.06 -1.58 0.00 0.00 0.00 174.94 174.90 3kp1 s GLN 331 N -0.08 2.20 0.46 2.79 2.00 0.11 -1.05 119.66 126.08 3kp1 s GLN 331 Ca -0.06 -1.49 -0.09 0.00 -2.00 0.00 0.00 55.36 51.71 3kp1 s GLN 331 Cb -0.14 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3kp1 s GLN 331 CO 0.05 -0.78 0.82 -1.12 -0.50 0.00 0.00 175.29 173.75 3kp1 s SER 332 N 1.37 6.43 0.17 6.67 0.01 0.16 -1.89 113.70 126.61 3kp1 s SER 332 Ca 0.00 1.14 0.09 0.00 1.31 0.00 0.00 55.95 58.49 3kp1 s SER 332 Cb -0.21 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3kp1 s SER 332 CO -0.03 -0.51 -0.19 0.42 0.41 0.00 0.00 173.24 173.33 3kp1 s THR 333 N -2.58 1.92 -0.08 1.44 -4.23 -1.06 -4.10 115.64 106.95 3kp1 s THR 333 Ca 0.51 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3kp1 s THR 333 Cb -0.10 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 3kp1 s THR 333 CO 0.37 -0.27 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.34 3kp1 s ILE 334 N -1.94 2.29 0.30 2.99 -1.09 -1.26 -4.57 121.20 117.93 3kp1 s ILE 334 Ca 0.16 -0.96 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 3kp1 s ILE 334 Cb -0.06 -1.87 -0.10 0.00 -1.58 0.00 0.00 42.46 38.84 3kp1 s ILE 334 CO 0.07 0.56 1.28 0.42 -1.23 0.00 0.00 174.94 176.05 3kp1 s THR 335 N 0.02 2.88 -0.84 2.92 -4.23 -1.26 -4.78 115.64 110.34 3kp1 s THR 335 Ca -0.08 0.86 0.16 0.00 -1.18 0.00 0.00 61.69 61.44 3kp1 s THR 335 Cb -0.15 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.29 3kp1 s THR 335 CO 0.05 0.19 1.49 -0.81 -0.54 0.00 0.00 174.62 175.01 3kp1 n PRO 336 N 1.17 0.05 -0.02 3.99 -0.04 -1.26 -1.38 135.00 137.51 3kp1 n PRO 336 Ca 0.01 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3kp1 n PRO 336 Cb 0.42 -1.61 0.41 0.00 -0.04 0.00 0.00 33.50 32.68 3kp1 n PRO 336 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kp1 n ASP 337 N -1.71 1.91 -0.02 3.54 5.75 -1.26 -4.15 116.55 120.61 3kp1 n ASP 337 Ca 0.03 -1.65 0.15 0.00 -0.01 0.00 0.00 54.79 53.31 3kp1 n ASP 337 Cb 0.17 -0.02 0.60 0.00 -1.03 0.00 0.00 41.12 40.83 3kp1 n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kp1 h GLU 338 N 2.90 0.18 -0.04 0.11 4.22 -1.42 0.22 114.58 120.74 3kp1 h GLU 338 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3kp1 h GLU 338 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kp1 h GLU 338 CO 0.00 0.12 0.00 0.41 -2.18 0.00 0.00 179.01 177.36 3kp1 n GLY 339 N -1.58 -0.37 0.00 1.92 0.00 -1.26 -4.23 105.19 99.67 3kp1 n GLY 339 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kp1 n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kp1 n ARG 340 N -0.27 1.33 -3.69 1.61 0.63 0.66 -4.32 116.66 112.61 3kp1 n ARG 340 Ca 0.19 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.06 3kp1 n ARG 340 Cb 0.24 -0.98 -0.02 0.00 0.45 0.00 0.00 32.46 32.15 3kp1 n ARG 340 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kp1 s ASN 341 N -3.61 -0.28 0.25 6.15 4.22 -0.54 -4.94 114.94 116.20 3kp1 s ASN 341 Ca 0.00 -0.32 -0.30 0.00 -2.14 0.00 0.00 52.86 50.10 3kp1 s ASN 341 Cb 0.00 0.53 -0.11 0.00 1.28 0.00 0.00 41.25 42.95 3kp1 s ASN 341 CO 0.00 -0.94 1.53 -0.69 -2.04 0.00 0.00 177.10 174.95 3kp1 s VAL 342 N -3.43 2.43 0.21 3.54 1.01 -1.26 -4.36 120.40 118.53 3kp1 s VAL 342 Ca 0.09 0.35 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 3kp1 s VAL 342 Cb -0.02 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 3kp1 s VAL 342 CO -0.01 0.05 1.38 -2.65 0.00 0.00 0.00 175.10 173.87 3kp1 n PRO 343 N 2.64 1.84 -3.63 2.72 -0.02 -1.26 -4.99 135.00 132.29 3kp1 n PRO 343 Ca 0.09 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 3kp1 n PRO 343 Cb 0.39 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3kp1 n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kp1 s TRP 344 N 0.10 3.48 0.18 6.00 0.51 -1.26 -4.84 118.94 123.10 3kp1 s TRP 344 Ca 0.72 0.37 -0.23 0.00 -2.12 0.00 0.00 56.10 54.83 3kp1 s TRP 344 Cb -0.71 -1.88 0.09 0.00 -0.81 0.00 0.00 33.47 30.16 3kp1 s TRP 344 CO 0.48 0.33 1.57 0.45 -0.51 0.00 0.00 176.95 179.27 3kp1 h HIS 345 N 1.82 -1.16 -0.07 -1.98 3.86 -1.55 -1.82 115.15 114.24 3kp1 h HIS 345 Ca -0.48 0.08 0.02 0.00 -1.16 0.00 0.00 60.37 58.83 3kp1 h HIS 345 Cb 1.19 0.60 -0.00 0.00 1.06 0.00 0.00 27.41 30.26 3kp1 h HIS 345 CO 0.55 -0.41 0.06 -0.84 0.86 0.00 0.00 177.93 178.15 3kp1 h ILE 346 N -0.17 0.81 0.00 2.45 3.07 -1.95 -2.12 117.51 119.59 3kp1 h ILE 346 Ca 0.22 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.47 3kp1 h ILE 346 Cb 0.56 0.96 -0.03 0.00 -0.27 0.00 0.00 36.82 38.04 3kp1 h ILE 346 CO -0.73 0.00 -1.08 1.88 -1.05 0.00 0.00 178.15 177.17 3kp1 h TYR 347 N 0.00 0.00 -0.88 0.16 0.05 -1.74 -0.64 116.97 113.92 3kp1 h TYR 347 Ca 0.03 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.84 3kp1 h TYR 347 Cb 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3kp1 h TYR 347 CO 0.00 0.61 0.57 -0.91 -1.05 0.00 0.00 178.16 177.39 3kp1 h ASN 348 N 0.00 0.97 -0.03 3.88 4.21 -0.96 -1.84 115.58 121.81 3kp1 h ASN 348 Ca -0.10 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.24 3kp1 h ASN 348 Cb 1.56 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 3kp1 h ASN 348 CO 0.06 0.68 -0.52 0.40 -1.29 0.00 0.00 177.43 176.76 3kp1 h ILE 349 N 1.14 1.31 -0.53 2.81 5.03 -1.31 -1.65 117.51 124.32 3kp1 h ILE 349 Ca 0.34 -1.74 0.05 0.00 -0.12 0.00 0.00 64.86 63.38 3kp1 h ILE 349 Cb -0.05 1.71 -0.05 0.00 -3.03 0.00 0.00 36.82 35.40 3kp1 h ILE 349 CO -0.10 0.55 0.27 -0.33 -0.68 0.00 0.00 178.15 177.86 3kp1 h GLU 350 N 0.47 0.50 -0.70 2.37 5.08 -1.01 -1.22 114.58 120.07 3kp1 h GLU 350 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3kp1 h GLU 350 Cb 1.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3kp1 h GLU 350 CO 0.10 0.33 0.36 0.00 -1.00 0.00 0.00 179.01 178.80 3kp1 h ALA 351 N 1.29 0.90 -0.43 3.43 0.00 -0.96 0.69 119.26 124.17 3kp1 h ALA 351 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kp1 h ALA 351 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kp1 h ALA 351 CO -0.17 0.44 0.23 0.00 0.00 0.00 0.00 179.25 179.76 3kp1 h ASP 353 N 0.56 0.87 -0.52 0.00 3.32 -0.85 -2.63 116.42 117.17 3kp1 h ASP 353 Ca 0.15 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3kp1 h ASP 353 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3kp1 h ASP 353 CO -0.02 0.89 0.26 0.74 -1.72 0.00 0.00 179.24 179.38 3kp1 h THR 354 N 0.81 1.19 -0.21 0.35 2.02 -0.71 0.13 112.91 116.49 3kp1 h THR 354 Ca 0.17 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3kp1 h THR 354 Cb 0.37 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3kp1 h THR 354 CO 0.01 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.22 3kp1 h ALA 355 N 1.10 0.26 -0.06 6.16 0.00 -1.28 -1.18 119.26 124.26 3kp1 h ALA 355 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kp1 h ALA 355 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kp1 h ALA 355 CO -0.02 -0.20 0.01 -0.22 0.00 0.00 0.00 179.25 178.82 3kp1 h LYS 356 N 0.22 0.09 -0.14 0.00 3.64 -1.34 -1.77 116.57 117.28 3kp1 h LYS 356 Ca 0.07 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3kp1 h LYS 356 Cb 0.08 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3kp1 h LYS 356 CO -0.01 0.30 -0.09 0.37 -2.27 0.00 0.00 179.45 177.75 3kp1 h GLN 357 N -0.13 -0.08 -0.14 1.90 4.15 -0.70 -0.64 115.11 119.47 3kp1 h GLN 357 Ca 0.02 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3kp1 h GLN 357 Cb 0.25 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3kp1 h GLN 357 CO 0.00 -0.05 0.04 0.00 -1.93 0.00 0.00 178.83 176.88 3kp1 h ALA 358 N 1.03 0.19 -0.60 3.38 0.00 -1.23 -0.46 119.26 121.57 3kp1 h ALA 358 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kp1 h ALA 358 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kp1 h ALA 358 CO -0.20 -0.18 0.24 -0.07 0.00 0.00 0.00 179.25 179.04 3kp1 h LEU 359 N 0.04 0.84 -0.55 0.00 3.38 -1.28 -1.81 115.31 115.93 3kp1 h LEU 359 Ca 0.05 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3kp1 h LEU 359 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kp1 h LEU 359 CO 0.00 0.78 -0.05 0.40 0.09 0.00 0.00 178.44 179.66 3kp1 h ILE 360 N 0.84 1.27 -0.78 1.22 1.08 -1.09 -1.46 117.51 118.59 3kp1 h ILE 360 Ca 0.20 -1.19 0.20 0.00 -0.39 0.00 0.00 64.86 63.68 3kp1 h ILE 360 Cb 0.21 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 3kp1 h ILE 360 CO -0.02 0.42 0.54 1.23 -0.69 0.00 0.00 178.15 179.64 3kp1 h GLY 361 N 0.88 0.40 -2.58 5.37 0.00 -0.85 -1.25 103.07 105.05 3kp1 h GLY 361 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kp1 h GLY 361 CO 0.04 0.01 0.00 1.03 0.00 0.00 0.00 176.54 177.62 3kp1 n MET 362 N -4.41 3.00 -1.64 4.80 2.81 -0.59 -4.96 117.12 116.13 3kp1 n MET 362 Ca 0.16 -2.40 -0.52 0.00 -1.81 0.00 0.00 57.70 53.13 3kp1 n MET 362 Cb 0.71 -1.68 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 3kp1 n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kp1 n ASP 363 N 1.12 2.22 0.00 7.83 2.03 -0.47 -1.07 116.55 128.21 3kp1 n ASP 363 Ca 0.22 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.62 3kp1 n ASP 363 Cb 0.69 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 3kp1 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 364 N 3.26 0.44 0.33 0.27 0.00 -1.26 -4.90 105.19 103.33 3kp1 n GLY 364 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3kp1 n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kp1 h LEU 365 N 0.00 0.56 0.00 0.99 5.85 -1.47 -0.41 115.31 120.83 3kp1 h LEU 365 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kp1 h LEU 365 Cb 0.19 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kp1 h LEU 365 CO 0.00 0.13 0.00 0.23 -0.34 0.00 0.00 178.44 178.46 3kp1 n MET 366 N -4.91 0.74 0.07 1.25 2.81 -1.26 -0.89 117.12 114.93 3kp1 n MET 366 Ca 0.23 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.24 3kp1 n MET 366 Cb 0.62 -1.49 0.26 0.00 -0.71 0.00 0.00 33.22 31.91 3kp1 n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kp1 n ASP 367 N -0.99 0.69 -0.00 7.83 8.00 -0.16 -4.24 116.55 127.68 3kp1 n ASP 367 Ca 0.18 0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.93 3kp1 n ASP 367 Cb 0.08 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 3kp1 n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kp1 n MET 368 N -2.09 4.38 -4.12 -1.24 2.81 -0.07 -5.03 117.12 111.76 3kp1 n MET 368 Ca 0.04 -0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.79 3kp1 n MET 368 Cb 0.43 -0.72 -0.11 0.00 -0.71 0.00 0.00 33.22 32.10 3kp1 n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kp1 s VAL 369 N -1.45 0.76 0.08 2.03 1.01 -0.57 -5.14 120.40 117.12 3kp1 s VAL 369 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 3kp1 s VAL 369 Cb 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3kp1 s VAL 369 CO 0.05 -0.42 0.17 0.00 0.00 0.00 0.00 175.10 174.91 3kp1 s GLN 370 N -2.01 0.81 0.39 2.72 -2.07 -1.26 -4.50 119.66 113.73 3kp1 s GLN 370 Ca -0.04 -0.94 -0.25 0.00 -1.82 0.00 0.00 55.36 52.31 3kp1 s GLN 370 Cb -0.08 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.08 3kp1 s GLN 370 CO 0.00 -0.25 1.13 -0.51 -1.32 0.00 0.00 175.29 174.35 3kp1 s LEU 371 N -2.78 4.20 -1.27 2.60 1.43 -1.26 -4.95 118.68 116.65 3kp1 s LEU 371 Ca 0.04 2.26 -0.13 0.00 -1.03 0.00 0.00 54.13 55.26 3kp1 s LEU 371 Cb 0.04 -4.04 0.14 0.00 0.03 0.00 0.00 46.19 42.36 3kp1 s LEU 371 CO -0.10 -0.59 1.69 0.29 0.23 0.00 0.00 176.35 177.87 3kp1 n LYS 372 N 0.11 3.35 0.27 1.70 5.02 -1.26 -4.84 118.16 122.51 3kp1 n LYS 372 Ca 0.04 -3.53 0.14 0.00 -2.02 0.00 0.00 58.31 52.94 3kp1 n LYS 372 Cb 0.47 -3.13 0.75 0.00 -0.02 0.00 0.00 35.03 33.11 3kp1 n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kp1 h ARG 373 N 6.75 0.00 -5.81 1.97 9.65 -1.98 -3.40 114.38 121.56 3kp1 h ARG 373 Ca 0.39 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.60 3kp1 h ARG 373 Cb 0.79 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.19 3kp1 h ARG 373 CO 1.45 0.10 -0.65 -1.21 2.80 0.00 0.00 179.97 182.46 3kp1 s GLU 374 N -4.10 3.14 0.00 0.20 0.41 -1.26 -2.73 118.70 114.36 3kp1 s GLU 374 Ca -0.02 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 3kp1 s GLU 374 Cb 0.12 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3kp1 s GLU 374 CO 0.57 0.55 0.00 0.41 -0.49 0.00 0.00 175.26 176.30 3kp1 n GLY 375 N 2.60 0.56 0.37 -1.39 0.00 -1.26 -4.82 105.19 101.25 3kp1 n GLY 375 Ca -0.18 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.65 3kp1 n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kp1 h VAL 376 N 0.00 1.16 -0.10 1.61 3.04 -1.93 -2.24 116.25 117.80 3kp1 h VAL 376 Ca 0.00 -0.42 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 3kp1 h VAL 376 Cb 0.00 -0.19 -0.05 0.00 -2.01 0.00 0.00 31.29 29.05 3kp1 h VAL 376 CO 0.00 0.22 -0.17 0.25 -1.01 0.00 0.00 177.57 176.87 3kp1 h LEU 377 N 1.23 -0.52 -0.78 3.16 5.85 -1.87 -1.32 115.31 121.06 3kp1 h LEU 377 Ca 0.40 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 3kp1 h LEU 377 Cb 0.04 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3kp1 h LEU 377 CO -0.13 -0.22 0.48 1.23 -0.34 0.00 0.00 178.44 179.46 3kp1 h GLY 378 N -0.23 1.13 0.94 3.75 0.00 -1.23 0.85 103.07 108.29 3kp1 h GLY 378 Ca 0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kp1 h GLY 378 CO -0.23 0.45 0.08 -0.55 0.00 0.00 0.00 176.54 176.29 3kp1 h ASP 379 N 1.07 0.18 -0.44 0.19 3.32 -1.19 -1.74 116.42 117.81 3kp1 h ASP 379 Ca 0.28 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3kp1 h ASP 379 Cb -0.05 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3kp1 h ASP 379 CO -0.05 0.21 0.15 0.74 -1.72 0.00 0.00 179.24 178.57 3kp1 h THR 380 N 0.14 1.22 -0.58 0.35 2.02 -1.04 -1.03 112.91 113.99 3kp1 h THR 380 Ca 0.05 -0.70 0.11 0.00 0.77 0.00 0.00 66.41 66.64 3kp1 h THR 380 Cb 0.07 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 3kp1 h THR 380 CO -0.01 0.25 0.09 0.58 0.37 0.00 0.00 175.52 176.81 3kp1 h VAL 381 N 0.57 0.63 -0.29 3.16 2.07 -0.74 -0.35 116.25 121.30 3kp1 h VAL 381 Ca 0.14 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kp1 h VAL 381 Cb 0.24 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3kp1 h VAL 381 CO -0.01 0.04 0.14 -0.09 0.02 0.00 0.00 177.57 177.67 3kp1 h ARG 382 N 0.22 0.42 -0.89 1.57 9.65 -0.99 -2.29 114.38 122.07 3kp1 h ARG 382 Ca 0.30 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.19 3kp1 h ARG 382 Cb 0.45 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 3kp1 h ARG 382 CO -0.41 0.40 0.55 1.49 2.80 0.00 0.00 179.97 184.80 3kp1 h GLU 383 N 0.34 0.96 -0.55 0.20 4.81 -0.64 -1.49 114.58 118.21 3kp1 h GLU 383 Ca 0.10 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kp1 h GLU 383 Cb 0.12 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3kp1 h GLU 383 CO -0.01 0.63 0.19 -0.07 -0.73 0.00 0.00 179.01 179.02 3kp1 h LEU 384 N 0.99 0.78 -0.84 1.64 3.38 -0.74 -1.46 115.31 119.06 3kp1 h LEU 384 Ca 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3kp1 h LEU 384 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kp1 h LEU 384 CO -0.18 0.76 0.49 0.11 0.09 0.00 0.00 178.44 179.70 3kp1 h LYS 385 N 0.75 1.16 -0.56 1.13 1.57 -1.08 -2.26 116.57 117.27 3kp1 h LYS 385 Ca 0.18 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3kp1 h LYS 385 Cb 0.25 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kp1 h LYS 385 CO -0.01 0.83 0.09 0.93 -0.57 0.00 0.00 179.45 180.72 3kp1 h GLU 386 N 1.16 0.93 -0.83 3.15 5.08 -0.87 -0.84 114.58 122.36 3kp1 h GLU 386 Ca 0.30 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kp1 h GLU 386 Cb -0.01 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3kp1 h GLU 386 CO -0.05 0.90 0.51 0.00 -1.00 0.00 0.00 179.01 179.37 3kp1 h ARG 387 N 0.83 1.12 -0.49 2.33 3.08 -1.07 -1.34 114.38 118.84 3kp1 h ARG 387 Ca 0.17 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3kp1 h ARG 387 Cb 0.42 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3kp1 h ARG 387 CO 0.01 0.78 -0.06 0.00 -1.07 0.00 0.00 179.97 179.63 3kp1 h ALA 388 N 1.28 0.67 -0.57 0.04 0.00 -1.14 -1.51 119.26 118.03 3kp1 h ALA 388 Ca 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kp1 h ALA 388 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kp1 h ALA 388 CO -0.06 0.53 0.33 0.28 0.00 0.00 0.00 179.25 180.33 3kp1 h VAL 389 N 0.77 1.18 -0.76 0.00 2.07 -0.96 -1.68 116.25 116.86 3kp1 h VAL 389 Ca 0.13 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kp1 h VAL 389 Cb 0.60 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3kp1 h VAL 389 CO 0.04 0.19 0.48 -0.07 0.02 0.00 0.00 177.57 178.23 3kp1 h LEU 390 N 0.77 0.90 -0.38 2.57 3.38 -1.08 -0.77 115.31 120.70 3kp1 h LEU 390 Ca 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kp1 h LEU 390 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kp1 h LEU 390 CO -0.04 0.68 0.20 0.15 0.09 0.00 0.00 178.44 179.52 3kp1 h PHE 391 N 1.05 0.53 -0.84 1.13 -0.00 -0.77 -1.34 116.94 116.70 3kp1 h PHE 391 Ca 0.28 -0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.24 3kp1 h PHE 391 Cb -0.07 -0.17 -0.04 0.00 -0.00 0.00 0.00 35.95 35.67 3kp1 h PHE 391 CO 0.00 0.43 0.56 0.52 -0.00 0.00 0.00 178.31 179.82 3kp1 h MET 392 N 0.48 1.11 -0.84 1.11 2.86 -0.83 -1.99 114.93 116.82 3kp1 h MET 392 Ca 0.13 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3kp1 h MET 392 Cb 0.08 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3kp1 h MET 392 CO -0.02 0.73 0.39 0.93 1.06 0.00 0.00 176.91 180.00 3kp1 h GLU 393 N 1.14 1.22 -0.40 1.72 5.08 -0.72 -1.93 114.58 120.69 3kp1 h GLU 393 Ca 0.31 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3kp1 h GLU 393 Cb -0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 3kp1 h GLU 393 CO -0.07 0.95 -0.32 1.49 -1.00 0.00 0.00 179.01 180.06 3kp1 h GLU 394 N 1.21 0.90 -0.92 2.33 4.81 -0.97 -0.04 114.58 121.90 3kp1 h GLU 394 Ca 0.29 -0.44 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3kp1 h GLU 394 Cb 0.14 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 3kp1 h GLU 394 CO -0.03 1.09 0.60 0.82 -0.73 0.00 0.00 179.01 180.75 3kp1 h ILE 395 N 0.75 1.14 -0.27 2.32 2.04 -1.11 0.16 117.51 122.55 3kp1 h ILE 395 Ca 0.08 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3kp1 h ILE 395 Cb 0.90 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3kp1 h ILE 395 CO 0.08 0.21 -0.13 0.40 0.00 0.00 0.00 178.15 178.71 3kp1 h ILE 396 N 1.15 1.30 -0.76 -0.67 2.04 -1.05 0.86 117.51 120.38 3kp1 h ILE 396 Ca 0.37 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 65.06 3kp1 h ILE 396 Cb 0.02 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 3kp1 h ILE 396 CO -0.13 0.39 0.45 -0.08 0.00 0.00 0.00 178.15 178.78 3kp1 h GLU 397 N 0.29 0.81 0.00 2.37 4.81 -0.64 -1.55 114.58 120.68 3kp1 h GLU 397 Ca 0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kp1 h GLU 397 Cb 0.65 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3kp1 h GLU 397 CO 0.04 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3kp1 n ALA 398 N -2.35 1.89 0.00 2.92 0.00 0.51 -4.85 120.51 118.64 3kp1 n ALA 398 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kp1 n ALA 398 Cb 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3kp1 n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 399 N 0.27 1.22 0.00 0.00 0.00 -0.58 -4.73 105.19 101.37 3kp1 n GLY 399 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kp1 n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 400 N -1.32 -0.54 0.22 -0.02 0.00 0.28 -4.70 105.19 99.11 3kp1 n GLY 400 Ca 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 3kp1 n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kp1 h TYR 401 N 0.00 0.77 -0.68 1.61 3.20 -1.97 -0.93 116.97 118.96 3kp1 h TYR 401 Ca 0.00 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3kp1 h TYR 401 Cb 0.00 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3kp1 h TYR 401 CO 0.00 0.79 0.41 0.74 -1.64 0.00 0.00 178.16 178.46 3kp1 h PHE 402 N 0.52 0.90 -0.57 -3.82 0.04 -1.96 -1.77 116.94 110.28 3kp1 h PHE 402 Ca 0.11 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 3kp1 h PHE 402 Cb 0.50 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3kp1 h PHE 402 CO 0.04 0.61 0.01 -0.91 -0.60 0.00 0.00 178.31 177.46 3kp1 h ASN 403 N 0.93 0.97 -0.64 2.17 2.35 -1.79 -1.72 115.58 117.85 3kp1 h ASN 403 Ca 0.24 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3kp1 h ASN 403 Cb -0.03 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 3kp1 h ASN 403 CO -0.05 1.04 0.38 0.00 -1.65 0.00 0.00 177.43 177.15 3kp1 h ALA 404 N 0.97 0.84 -0.20 -0.83 0.00 -0.92 -0.49 119.26 118.63 3kp1 h ALA 404 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kp1 h ALA 404 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kp1 h ALA 404 CO 0.03 0.12 0.02 0.28 0.00 0.00 0.00 179.25 179.69 3kp1 h VAL 405 N 0.74 1.24 -0.17 0.00 2.07 -1.13 -1.93 116.25 117.07 3kp1 h VAL 405 Ca 0.26 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3kp1 h VAL 405 Cb 0.06 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3kp1 h VAL 405 CO -0.12 0.25 0.12 -0.33 0.02 0.00 0.00 177.57 177.50 3kp1 h GLU 406 N 0.13 0.15 -0.37 1.57 5.08 -1.13 -1.44 114.58 118.57 3kp1 h GLU 406 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kp1 h GLU 406 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3kp1 h GLU 406 CO 0.01 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 3kp1 n GLN 407 N -4.51 1.82 -1.93 2.33 6.02 -0.21 -4.64 117.38 116.27 3kp1 n GLN 407 Ca 0.00 -1.14 -0.11 0.00 -0.01 0.00 0.00 57.00 55.75 3kp1 n GLN 407 Cb 0.14 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 3kp1 n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kp1 n GLY 408 N 0.91 0.32 0.25 1.08 0.00 -0.55 -4.91 105.19 102.29 3kp1 n GLY 408 Ca 0.11 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kp1 h PHE 409 N 0.00 0.00 -2.65 1.61 -1.00 -1.56 -3.38 116.94 109.96 3kp1 h PHE 409 Ca -0.24 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.98 3kp1 h PHE 409 Cb 1.03 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.55 3kp1 h PHE 409 CO 0.28 0.13 -0.51 -0.06 -1.61 0.00 0.00 178.31 176.54 3kp1 s PHE 410 N -4.38 3.36 -1.76 -0.55 0.08 -1.26 -4.33 117.98 109.14 3kp1 s PHE 410 Ca -0.03 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.09 3kp1 s PHE 410 Cb 0.14 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 3kp1 s PHE 410 CO 0.61 0.52 0.00 0.28 -0.10 0.00 0.00 175.22 176.54 3kp1 n VAL 411 N -0.39 -0.38 -3.07 -0.44 0.31 -1.26 -1.60 118.33 111.50 3kp1 n VAL 411 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.88 3kp1 n VAL 411 Cb 0.54 -2.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 3kp1 n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kp1 s ASP 412 N -2.53 7.17 0.00 4.52 2.15 -1.26 -4.08 116.67 122.64 3kp1 s ASP 412 Ca 0.00 1.49 0.29 0.00 0.43 0.00 0.00 52.55 54.76 3kp1 s ASP 412 Cb 0.00 -2.44 1.37 0.00 -0.30 0.00 0.00 42.92 41.54 3kp1 s ASP 412 CO 0.00 0.11 1.97 -1.54 -0.17 0.00 0.00 175.17 175.54 3kp1 n SER 413 N 1.09 0.00 -4.77 -0.34 3.41 -1.26 -4.86 113.62 106.89 3kp1 n SER 413 Ca -0.04 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.40 3kp1 n SER 413 Cb 0.50 -0.37 0.10 0.00 -0.26 0.00 0.00 64.21 64.18 3kp1 n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kp1 s GLY 414 N -2.75 1.65 -0.81 5.00 0.00 -1.26 -4.73 107.32 104.42 3kp1 s GLY 414 Ca 0.22 0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.84 3kp1 s GLY 414 CO 0.48 0.48 0.98 -0.47 0.00 0.00 0.00 173.10 174.56 3kp1 s TYR 415 N -2.97 3.11 0.17 1.90 5.04 -1.25 -4.73 117.35 118.62 3kp1 s TYR 415 Ca 0.61 -1.26 -0.31 0.00 -2.44 0.00 0.00 57.07 53.67 3kp1 s TYR 415 Cb -0.17 -4.18 -0.17 0.00 0.35 0.00 0.00 41.96 37.80 3kp1 s TYR 415 CO 0.56 -1.42 0.82 0.98 -1.34 0.00 0.00 175.55 175.15 3kp1 n TYR 416 N 6.36 0.31 1.98 4.97 9.36 -1.26 -1.54 117.16 137.33 3kp1 n TYR 416 Ca 0.12 0.90 0.15 0.00 3.32 0.00 0.00 57.90 62.39 3kp1 n TYR 416 Cb 0.47 -2.08 0.87 0.00 -0.63 0.00 0.00 39.34 37.97 3kp1 n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kp1 n PRO 417 N 1.20 1.03 -1.73 2.98 -0.04 -1.26 -4.93 135.00 132.25 3kp1 n PRO 417 Ca 0.17 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 3kp1 n PRO 417 Cb 0.23 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3kp1 n PRO 417 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kp1 n GLU 418 N -0.92 2.74 -3.92 0.54 2.13 -0.59 -5.00 120.64 115.63 3kp1 n GLU 418 Ca 0.22 0.99 -0.28 0.00 0.66 0.00 0.00 57.16 58.75 3kp1 n GLU 418 Cb 0.11 -2.81 -0.17 0.00 0.27 0.00 0.00 31.44 28.84 3kp1 n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kp1 s ARG 419 N 0.67 1.63 0.07 5.31 3.52 -1.26 -3.75 118.95 125.14 3kp1 s ARG 419 Ca 0.72 -0.39 0.26 0.00 -0.13 0.00 0.00 55.73 56.19 3kp1 s ARG 419 Cb -0.51 -1.81 0.68 0.00 -1.56 0.00 0.00 34.95 31.75 3kp1 s ARG 419 CO 0.37 -0.31 1.57 0.09 -0.81 0.00 0.00 175.30 176.20 3kp1 n ASN 420 N 4.89 0.50 0.00 -2.12 3.02 -1.26 -4.94 115.26 115.35 3kp1 n ASN 420 Ca -0.13 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3kp1 n ASN 420 Cb 0.49 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 3kp1 n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kp1 n GLY 421 N 1.42 0.66 0.81 7.41 0.00 -1.26 -4.95 105.19 109.28 3kp1 n GLY 421 Ca 0.05 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3kp1 n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kp1 n ASP 422 N 0.36 3.35 -4.25 1.61 5.68 -1.26 -5.03 116.55 117.01 3kp1 n ASP 422 Ca 0.00 -3.18 -0.29 0.00 -0.50 0.00 0.00 54.79 50.81 3kp1 n ASP 422 Cb 0.00 -0.54 0.19 0.00 -1.14 0.00 0.00 41.12 39.63 3kp1 n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kp1 s GLY 423 N -2.22 1.63 -0.41 6.12 0.00 -1.26 -4.69 107.32 106.50 3kp1 s GLY 423 Ca 0.41 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 44.13 3kp1 s GLY 423 CO 0.06 -0.10 0.39 -0.42 0.00 0.00 0.00 173.10 173.04 3kp1 s ILE 424 N -3.29 5.14 -0.25 0.90 -1.09 -0.62 -4.92 121.20 117.06 3kp1 s ILE 424 Ca 0.69 -0.37 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 3kp1 s ILE 424 Cb -0.11 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 3kp1 s ILE 424 CO 0.55 -0.35 0.39 0.00 -1.23 0.00 0.00 174.94 174.30 3kp1 s ALA 425 N 2.01 3.57 0.08 9.38 0.00 -1.26 -4.58 121.76 130.95 3kp1 s ALA 425 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3kp1 s ALA 425 Cb -0.17 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3kp1 s ALA 425 CO 0.12 -0.56 0.17 1.03 0.00 0.00 0.00 175.76 176.53 3kp1 s ARG 426 N 1.87 3.25 -0.14 0.00 1.81 -1.20 -4.96 118.95 119.58 3kp1 s ARG 426 Ca 0.17 -0.54 -0.06 0.00 -1.72 0.00 0.00 55.73 53.57 3kp1 s ARG 426 Cb -0.15 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.38 3kp1 s ARG 426 CO 0.09 0.58 0.07 -0.65 -0.68 0.00 0.00 175.30 174.72 3kp1 s GLN 427 N -2.56 3.59 0.44 3.54 1.11 -1.26 -3.38 119.66 121.14 3kp1 s GLN 427 Ca 0.33 -0.30 0.21 0.00 0.01 0.00 0.00 55.36 55.61 3kp1 s GLN 427 Cb -0.12 -3.11 1.18 0.00 -1.01 0.00 0.00 33.01 29.95 3kp1 s GLN 427 CO 0.26 0.52 1.83 0.97 0.01 0.00 0.00 175.29 178.89 3kp1 h ILE 428 N 4.44 0.60 -0.39 1.08 2.10 -1.99 0.08 117.51 123.43 3kp1 h ILE 428 Ca -0.45 -0.11 -0.20 0.00 1.08 0.00 0.00 64.86 65.17 3kp1 h ILE 428 Cb 1.19 0.26 -0.12 0.00 -1.09 0.00 0.00 36.82 37.05 3kp1 h ILE 428 CO 0.63 0.06 -0.05 0.59 -1.08 0.00 0.00 178.15 178.30 3kp1 n ASN 429 N -4.48 2.52 -2.11 2.19 5.03 -1.26 -4.56 115.26 112.59 3kp1 n ASN 429 Ca 0.21 -3.79 -0.06 0.00 0.87 0.00 0.00 54.58 51.81 3kp1 n ASN 429 Cb 0.82 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 3kp1 n ASN 429 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kp1 n GLY 430 N -1.13 3.91 0.00 7.41 0.00 0.01 -4.87 105.19 110.52 3kp1 n GLY 430 Ca 0.35 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3kp1 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 431 N 1.75 -1.16 3.74 -0.02 0.00 -1.26 -4.07 105.19 104.17 3kp1 n GLY 431 Ca -0.02 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3kp1 n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kp1 s ILE 432 N -1.55 3.13 0.00 -0.61 -1.09 0.30 -2.58 121.20 118.79 3kp1 s ILE 432 Ca 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 3kp1 s ILE 432 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3kp1 s ILE 432 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 3kp1 n GLY 433 N 2.28 0.62 3.76 6.18 0.00 -1.26 -0.19 105.19 116.57 3kp1 n GLY 433 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kp1 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 s ALA 434 N -2.15 3.68 -0.15 4.61 0.00 -1.07 -2.59 121.76 124.10 3kp1 s ALA 434 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3kp1 s ALA 434 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3kp1 s ALA 434 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3kp1 n GLY 435 N 1.76 0.45 0.55 0.00 0.00 -1.26 -4.93 105.19 101.76 3kp1 n GLY 435 Ca 0.06 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.15 3kp1 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp1 n THR 436 N -3.18 0.99 -3.61 2.61 -2.24 -1.07 -5.01 114.28 102.78 3kp1 n THR 436 Ca -0.02 -1.00 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 3kp1 n THR 436 Cb 0.15 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3kp1 n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kp1 s VAL 437 N -1.00 5.16 -0.02 2.28 1.01 -1.26 -5.09 120.40 121.48 3kp1 s VAL 437 Ca 0.20 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3kp1 s VAL 437 Cb 0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3kp1 s VAL 437 CO 0.14 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.36 3kp1 s PHE 438 N -1.10 0.75 0.38 5.22 0.08 -1.26 -5.13 117.98 116.91 3kp1 s PHE 438 Ca 0.22 -0.16 -0.27 0.00 0.12 0.00 0.00 56.93 56.84 3kp1 s PHE 438 Cb -0.15 -0.53 -0.10 0.00 -0.57 0.00 0.00 43.02 41.67 3kp1 s PHE 438 CO 0.12 -0.06 1.34 -2.00 -0.10 0.00 0.00 175.22 174.52 3kp1 s GLU 439 N 0.09 4.09 -0.02 0.44 2.12 -1.26 -4.98 118.70 119.19 3kp1 s GLU 439 Ca -0.01 2.26 -0.30 0.00 0.36 0.00 0.00 54.97 57.28 3kp1 s GLU 439 Cb -0.06 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 3kp1 s GLU 439 CO -0.00 -0.43 0.98 1.03 -0.54 0.00 0.00 175.26 176.31 3kp1 s ARG 440 N -2.09 4.54 0.69 4.30 0.52 -1.26 -5.05 118.95 120.60 3kp1 s ARG 440 Ca 0.54 1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 57.05 3kp1 s ARG 440 Cb -0.40 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 31.60 3kp1 s ARG 440 CO 0.53 -0.10 1.06 -0.51 0.02 0.00 0.00 175.30 176.31 3kp1 s ASP 441 N 1.03 5.44 0.57 0.23 1.01 -1.26 -4.91 116.67 118.77 3kp1 s ASP 441 Ca 0.51 1.51 0.27 0.00 0.71 0.00 0.00 52.55 55.56 3kp1 s ASP 441 Cb -0.21 -2.40 1.52 0.00 1.01 0.00 0.00 42.92 42.85 3kp1 s ASP 441 CO 0.26 -1.39 2.02 -0.08 0.21 0.00 0.00 175.17 176.19 3kp1 h GLU 442 N -0.68 0.00 -0.65 8.23 4.22 -2.02 0.74 114.58 124.41 3kp1 h GLU 442 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 3kp1 h GLU 442 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kp1 h GLU 442 CO 0.59 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.02 3kp1 n ASP 443 N -3.97 4.93 -4.68 1.04 5.75 -1.26 -4.74 116.55 113.62 3kp1 n ASP 443 Ca 0.05 -2.51 -0.44 0.00 -0.01 0.00 0.00 54.79 51.89 3kp1 n ASP 443 Cb 0.49 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 3kp1 n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kp1 n TYR 444 N 1.10 2.23 -3.82 2.11 9.36 0.25 -4.83 117.16 123.55 3kp1 n TYR 444 Ca 0.26 0.43 -0.12 0.00 3.32 0.00 0.00 57.90 61.80 3kp1 n TYR 444 Cb 0.94 -2.46 -0.10 0.00 -0.63 0.00 0.00 39.34 37.08 3kp1 n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kp1 s MET 445 N -0.60 0.50 -0.10 2.98 -2.45 -1.26 -0.71 119.30 117.65 3kp1 s MET 445 Ca 0.66 -0.17 -0.03 0.00 -1.25 0.00 0.00 55.69 54.90 3kp1 s MET 445 Cb -0.63 0.22 0.04 0.00 1.25 0.00 0.00 34.83 35.72 3kp1 s MET 445 CO 0.51 -0.12 0.07 0.00 1.05 0.00 0.00 175.02 176.53 3kp1 s ALA 446 N -1.04 0.39 -0.52 4.11 0.00 -1.26 -4.99 121.76 118.44 3kp1 s ALA 446 Ca -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 3kp1 s ALA 446 Cb -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3kp1 s ALA 446 CO 0.02 -0.81 2.94 -0.35 0.00 0.00 0.00 175.76 177.56 3kp1 n PRO 447 N 5.27 2.67 -4.11 0.00 -0.04 -1.26 -4.86 135.00 132.67 3kp1 n PRO 447 Ca -0.05 -2.17 -0.08 0.00 -0.04 0.00 0.00 63.50 61.16 3kp1 n PRO 447 Cb 0.49 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3kp1 n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kp1 s VAL 448 N -1.11 0.35 0.46 0.52 -7.23 -1.26 -3.67 120.40 108.45 3kp1 s VAL 448 Ca 0.61 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.78 3kp1 s VAL 448 Cb 0.33 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.67 3kp1 s VAL 448 CO -0.15 -0.94 0.96 -0.89 -0.31 0.00 0.00 175.10 173.78 3kp1 s THR 449 N -3.72 4.41 -0.86 5.32 2.01 -1.26 -4.25 115.64 117.29 3kp1 s THR 449 Ca 0.07 1.40 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 3kp1 s THR 449 Cb 0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3kp1 s THR 449 CO -0.08 -0.42 0.73 0.00 -0.69 0.00 0.00 174.62 174.16 3kp1 n ALA 450 N -0.93 -1.15 -2.82 7.40 0.00 -1.26 -5.03 120.51 116.72 3kp1 n ALA 450 Ca 0.07 0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 3kp1 n ALA 450 Cb 0.54 -2.76 -0.11 0.00 0.00 0.00 0.00 19.45 17.12 3kp1 n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kp1 s HIS 451 N -3.23 3.10 -0.12 0.00 5.04 -1.26 -4.30 115.29 114.52 3kp1 s HIS 451 Ca 0.18 -0.06 -0.23 0.00 -1.54 0.00 0.00 55.06 53.41 3kp1 s HIS 451 Cb -0.08 -1.91 -0.26 0.00 0.04 0.00 0.00 32.58 30.37 3kp1 s HIS 451 CO 0.49 0.18 0.66 0.35 -2.34 0.00 0.00 174.74 174.08 3kp1 h PHE 452 N 6.13 0.21 -3.79 3.88 3.57 -1.89 -3.49 116.94 121.56 3kp1 h PHE 452 Ca -0.39 -0.16 -0.19 0.00 3.53 0.00 0.00 57.97 60.76 3kp1 h PHE 452 Cb 1.19 -0.01 0.05 0.00 2.79 0.00 0.00 35.95 39.97 3kp1 h PHE 452 CO 0.57 1.27 0.09 0.41 -2.23 0.00 0.00 178.31 178.42 3kp1 n GLY 453 N 1.62 0.09 3.60 2.40 0.00 -1.26 -4.96 105.19 106.69 3kp1 n GLY 453 Ca -0.18 -1.89 -0.50 0.00 0.00 0.00 0.00 46.02 43.45 3kp1 n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kp1 n TYR 454 N -2.26 1.62 -3.49 1.61 9.36 -1.26 -4.96 117.16 117.77 3kp1 n TYR 454 Ca 0.07 0.58 -0.19 0.00 3.32 0.00 0.00 57.90 61.68 3kp1 n TYR 454 Cb 0.25 -2.36 -0.13 0.00 -0.63 0.00 0.00 39.34 36.47 3kp1 n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kp1 s ASN 455 N 0.41 1.64 -1.02 2.98 2.47 -1.26 -4.84 114.94 115.32 3kp1 s ASN 455 Ca 0.80 -0.39 -0.20 0.00 0.42 0.00 0.00 52.86 53.48 3kp1 s ASN 455 Cb -0.87 0.30 0.09 0.00 -1.45 0.00 0.00 41.25 39.33 3kp1 s ASN 455 CO 0.47 -0.34 1.34 0.21 -3.72 0.00 0.00 177.10 175.05 3kp1 s ASN 456 N 2.30 6.62 -0.09 -4.21 3.84 0.11 -4.69 114.94 118.81 3kp1 s ASN 456 Ca 0.07 -1.87 0.01 0.00 0.21 0.00 0.00 52.86 51.28 3kp1 s ASN 456 Cb -0.16 -2.49 -0.25 0.00 -0.55 0.00 0.00 41.25 37.81 3kp1 s ASN 456 CO -0.16 -1.25 0.47 0.52 -2.79 0.00 0.00 177.10 173.89 3kp1 n VAL 457 N 6.12 1.71 -0.31 -5.21 0.31 -1.26 -4.35 118.33 115.34 3kp1 n VAL 457 Ca 0.31 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 64.03 3kp1 n VAL 457 Cb 0.49 -1.44 0.24 0.00 -0.91 0.00 0.00 33.84 32.23 3kp1 n VAL 457 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kp1 h LYS 458 N 0.04 0.08 -0.29 5.55 1.57 -1.84 0.40 116.57 122.08 3kp1 h LYS 458 Ca -0.37 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3kp1 h LYS 458 Cb 2.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 3kp1 h LYS 458 CO 0.08 0.05 0.60 -0.56 -0.57 0.00 0.00 179.45 179.05 3kp1 h GLN 459 N 0.08 0.00 0.00 3.15 3.07 -1.97 -2.53 115.11 116.91 3kp1 h GLN 459 Ca 0.53 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.98 3kp1 h GLN 459 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.54 3kp1 h GLN 459 CO -0.79 0.00 -2.01 0.66 0.09 0.00 0.00 178.83 176.78 3kp1 n TYR 460 N -3.17 0.00 -3.15 0.06 4.01 0.13 -5.01 117.16 110.02 3kp1 n TYR 460 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.84 3kp1 n TYR 460 Cb 0.72 -0.66 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3kp1 n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kp1 s ASP 461 N -6.13 -1.31 0.00 7.72 -1.08 -0.31 -5.01 116.67 110.55 3kp1 s ASP 461 Ca -0.24 0.38 0.06 0.00 -0.52 0.00 0.00 52.55 52.22 3kp1 s ASP 461 Cb 0.08 1.92 0.26 0.00 -1.46 0.00 0.00 42.92 43.72 3kp1 s ASP 461 CO 0.37 -0.24 1.13 -0.62 0.52 0.00 0.00 175.17 176.32 3kp1 n GLU 462 N 5.39 0.03 0.01 4.34 4.71 -1.24 -1.21 120.64 132.67 3kp1 n GLU 462 Ca 0.03 0.34 0.11 0.00 -0.01 0.00 0.00 57.16 57.63 3kp1 n GLU 462 Cb 0.54 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.56 3kp1 n GLU 462 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kp1 n ALA 463 N -1.42 3.74 0.20 0.62 0.00 -1.26 -4.11 120.51 118.28 3kp1 n ALA 463 Ca 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.13 3kp1 n ALA 463 Cb 0.06 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.69 3kp1 n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kp1 n LEU 464 N -1.68 3.10 -0.30 0.00 4.32 -0.35 -4.52 117.00 117.57 3kp1 n LEU 464 Ca 0.04 -1.54 0.12 0.00 -0.02 0.00 0.00 56.01 54.61 3kp1 n LEU 464 Cb 0.37 -0.21 0.29 0.00 -1.62 0.00 0.00 43.42 42.25 3kp1 n LEU 464 CO 0.38 0.69 1.04 0.58 -1.22 0.00 0.00 177.39 178.86 3kp1 h VAL 465 N 3.53 0.50 0.00 4.08 2.07 -1.71 0.27 116.25 124.99 3kp1 h VAL 465 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kp1 h VAL 465 Cb 0.84 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3kp1 h VAL 465 CO 0.00 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.12 3kp1 n SER 466 N -5.04 0.06 -3.17 0.57 3.41 -1.26 -4.20 113.62 103.99 3kp1 n SER 466 Ca 0.21 0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 59.10 3kp1 n SER 466 Cb 0.62 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3kp1 n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kp1 n GLU 467 N -1.56 0.60 0.23 4.33 -0.58 0.91 -4.99 120.64 119.57 3kp1 n GLU 467 Ca 0.06 -3.01 0.15 0.00 -0.42 0.00 0.00 57.16 53.95 3kp1 n GLU 467 Cb 0.31 -1.35 0.81 0.00 -0.57 0.00 0.00 31.44 30.65 3kp1 n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kp1 h PRO 468 N 4.38 0.00 0.00 3.49 0.11 -1.66 -0.84 132.00 137.48 3kp1 h PRO 468 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3kp1 h PRO 468 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kp1 h PRO 468 CO 0.41 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.86 3kp1 h SER 469 N 0.00 0.00 -0.79 -2.05 4.64 -1.76 -1.77 113.55 111.81 3kp1 h SER 469 Ca 0.06 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3kp1 h SER 469 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 3kp1 h SER 469 CO -0.00 0.00 0.52 0.11 -0.87 0.00 0.00 176.83 176.59 3kp1 h LYS 470 N 0.00 0.49 -0.25 4.77 6.56 -1.44 0.34 116.57 127.03 3kp1 h LYS 470 Ca 0.00 -0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.63 3kp1 h LYS 470 Cb 0.37 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 3kp1 h LYS 470 CO 0.00 0.32 0.20 -0.07 -2.06 0.00 0.00 179.45 177.85 3kp1 h LEU 471 N 0.50 0.00 -2.93 2.94 3.38 -1.51 -1.51 115.31 116.18 3kp1 h LEU 471 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 3kp1 h LEU 471 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3kp1 h LEU 471 CO -0.14 0.00 -0.21 2.30 0.09 0.00 0.00 178.44 180.48 3kp1 n ILE 472 N -4.22 1.79 -3.54 1.22 -5.35 -0.74 -4.98 119.36 103.55 3kp1 n ILE 472 Ca 0.03 -2.35 -0.22 0.00 -0.27 0.00 0.00 62.75 59.94 3kp1 n ILE 472 Cb 0.35 -0.15 0.08 0.00 -1.74 0.00 0.00 39.64 38.19 3kp1 n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kp1 n ASP 473 N -1.19 -5.26 0.00 7.28 8.00 -0.57 -4.77 116.55 120.05 3kp1 n ASP 473 Ca 0.15 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3kp1 n ASP 473 Cb 0.67 -5.00 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 3kp1 n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kp1 n GLY 474 N -1.78 0.84 3.40 0.44 0.00 0.11 -4.95 105.19 103.25 3kp1 n GLY 474 Ca -0.06 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 3kp1 n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h THR 476 N -0.90 0.56 -0.14 0.00 1.35 -1.95 0.33 112.91 112.15 3kp1 h THR 476 Ca -0.32 -0.03 -0.10 0.00 -0.55 0.00 0.00 66.41 65.42 3kp1 h THR 476 Cb 1.06 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3kp1 h THR 476 CO 0.30 0.01 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.15 3kp1 h LEU 477 N 0.00 0.30 0.10 3.87 3.38 -1.96 -3.00 115.31 117.99 3kp1 h LEU 477 Ca -0.00 -0.11 -0.33 0.00 0.09 0.00 0.00 57.88 57.52 3kp1 h LEU 477 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3kp1 h LEU 477 CO 0.00 0.64 -1.79 -0.33 0.09 0.00 0.00 178.44 177.05 3kp1 h GLU 478 N 0.25 0.21 -2.87 1.13 3.07 -1.54 -3.44 114.58 111.38 3kp1 h GLU 478 Ca 0.03 -0.36 -0.61 0.00 -0.50 0.00 0.00 59.36 57.92 3kp1 h GLU 478 Cb 0.75 0.13 -0.40 0.00 -0.84 0.00 0.00 28.75 28.39 3kp1 h GLU 478 CO 0.06 1.03 -0.73 0.08 -1.40 0.00 0.00 179.01 178.05 3kp1 s VAL 479 N -2.58 1.79 0.57 3.13 1.01 0.10 -4.97 120.40 119.44 3kp1 s VAL 479 Ca -0.14 -3.36 0.29 0.00 0.00 0.00 0.00 61.98 58.77 3kp1 s VAL 479 Cb 0.07 -2.20 0.41 0.00 0.00 0.00 0.00 36.38 34.65 3kp1 s VAL 479 CO 0.81 -1.04 1.91 -0.65 0.00 0.00 0.00 175.10 176.14 3kp1 h PRO 480 N 5.83 0.00 -0.01 2.72 0.11 -1.78 -1.66 132.00 137.20 3kp1 h PRO 480 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kp1 h PRO 480 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kp1 h PRO 480 CO 0.56 0.00 0.04 0.93 -0.21 0.00 0.00 178.00 179.32 3kp1 h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.93 -1.43 114.58 115.34 3kp1 h GLU 481 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3kp1 h GLU 481 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3kp1 h GLU 481 CO -0.00 0.00 0.00 0.87 -1.40 0.00 0.00 179.01 178.48 3kp1 h LYS 482 N 0.00 0.00 -6.66 2.33 1.57 -1.65 -3.45 116.57 108.71 3kp1 h LYS 482 Ca 0.01 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3kp1 h LYS 482 Cb 0.08 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.45 3kp1 h LYS 482 CO -0.00 0.00 0.98 0.42 -0.57 0.00 0.00 179.45 180.28 3kp1 s ILE 483 N -3.18 2.12 -0.30 1.86 1.01 -0.54 -4.96 121.20 117.21 3kp1 s ILE 483 Ca 0.09 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 3kp1 s ILE 483 Cb 0.10 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3kp1 s ILE 483 CO 0.59 0.01 0.66 -0.69 0.00 0.00 0.00 174.94 175.51 3kp1 s VAL 484 N 1.10 4.91 -0.15 2.92 1.01 -1.26 -5.04 120.40 123.89 3kp1 s VAL 484 Ca 0.73 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 3kp1 s VAL 484 Cb -0.49 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3kp1 s VAL 484 CO 0.33 -0.15 0.33 -0.47 0.00 0.00 0.00 175.10 175.14 3kp1 s TYR 485 N 2.66 3.48 -0.11 5.22 5.04 -1.26 -5.08 117.35 127.31 3kp1 s TYR 485 Ca 0.27 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.57 3kp1 s TYR 485 Cb -0.15 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 3kp1 s TYR 485 CO 0.12 0.24 -0.16 0.42 -1.34 0.00 0.00 175.55 174.83 3kp1 s ILE 486 N 0.44 2.82 -0.01 3.14 -1.09 -1.26 -5.07 121.20 120.18 3kp1 s ILE 486 Ca 0.18 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3kp1 s ILE 486 Cb -0.13 -2.15 -0.00 0.00 -1.58 0.00 0.00 42.46 38.60 3kp1 s ILE 486 CO 0.05 0.54 -0.00 -0.78 -1.23 0.00 0.00 174.94 173.52 3kp1 h ASP 487 N 6.42 0.00 -4.83 3.58 3.58 -1.98 -3.41 116.42 119.78 3kp1 h ASP 487 Ca -0.29 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.02 3kp1 h ASP 487 Cb 1.20 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.04 3kp1 h ASP 487 CO 0.53 0.03 -0.43 -1.61 -2.88 0.00 0.00 179.24 174.87 3kp1 s GLU 488 N -1.04 0.50 -0.00 0.28 0.41 -1.26 -3.56 118.70 114.03 3kp1 s GLU 488 Ca -0.00 -0.26 0.01 0.00 -0.41 0.00 0.00 54.97 54.31 3kp1 s GLU 488 Cb 0.00 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.55 3kp1 s GLU 488 CO 0.00 -0.12 0.03 1.28 -0.49 0.00 0.00 175.26 175.96 3kp1 n LEU 489 N 1.60 0.00 -4.29 1.80 4.77 -1.26 -4.97 117.00 114.66 3kp1 n LEU 489 Ca -0.21 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 3kp1 n LEU 489 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 3kp1 n LEU 489 CO 0.21 0.00 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.22 3kp1 s ASP 490 N -2.07 4.02 0.06 -1.43 -1.08 -1.26 -5.00 116.67 109.90 3kp1 s ASP 490 Ca -0.00 -0.43 0.26 0.00 -0.52 0.00 0.00 52.55 51.86 3kp1 s ASP 490 Cb 0.01 -1.66 0.77 0.00 -1.46 0.00 0.00 42.92 40.57 3kp1 s ASP 490 CO 0.05 0.02 1.63 -0.62 0.52 0.00 0.00 175.17 176.76 3kp1 n GLU 491 N 4.51 0.10 -0.08 4.34 4.71 -1.26 -3.87 120.64 129.08 3kp1 n GLU 491 Ca -0.19 0.05 -0.08 0.00 -0.01 0.00 0.00 57.16 56.94 3kp1 n GLU 491 Cb 0.51 -1.59 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 3kp1 n GLU 491 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kp1 n ASN 492 N -1.74 0.54 -4.06 1.62 3.02 -1.26 -4.80 115.26 108.57 3kp1 n ASN 492 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 3kp1 n ASN 492 Cb 0.37 1.02 -0.08 0.00 -0.61 0.00 0.00 39.78 40.48 3kp1 n ASN 492 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kp1 s ASP 493 N -5.15 5.55 0.29 6.41 2.15 -1.25 -4.87 116.67 119.80 3kp1 s ASP 493 Ca -0.09 -3.51 -0.20 0.00 0.43 0.00 0.00 52.55 49.18 3kp1 s ASP 493 Cb 0.06 -1.84 0.02 0.00 -0.30 0.00 0.00 42.92 40.86 3kp1 s ASP 493 CO 0.75 -0.21 0.72 0.54 -0.17 0.00 0.00 175.17 176.79 3kp1 s ASN 494 N -0.17 -0.22 0.33 -0.34 2.20 -1.25 -3.69 114.94 111.79 3kp1 s ASN 494 Ca 0.24 -0.68 0.08 0.00 -0.94 0.00 0.00 52.86 51.56 3kp1 s ASN 494 Cb -0.11 0.74 0.57 0.00 -2.00 0.00 0.00 41.25 40.45 3kp1 s ASN 494 CO -0.10 -1.37 1.77 1.62 -2.94 0.00 0.00 177.10 176.07 3kp1 h VAL 495 N 2.01 1.27 -0.25 3.54 3.04 -1.94 -1.78 116.25 122.14 3kp1 h VAL 495 Ca -0.21 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.16 3kp1 h VAL 495 Cb 1.25 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 3kp1 h VAL 495 CO 0.25 0.39 0.11 0.78 -1.01 0.00 0.00 177.57 178.10 3kp1 h ASN 496 N 0.17 0.34 -0.06 3.17 2.35 -1.97 0.43 115.58 120.01 3kp1 h ASN 496 Ca 0.02 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 3kp1 h ASN 496 Cb 0.69 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3kp1 h ASN 496 CO 0.05 0.39 -0.27 0.58 -1.65 0.00 0.00 177.43 176.53 3kp1 h VAL 497 N 0.27 1.27 -0.31 2.81 2.07 -1.85 -2.28 116.25 118.24 3kp1 h VAL 497 Ca 0.09 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3kp1 h VAL 497 Cb 0.15 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kp1 h VAL 497 CO -0.01 0.42 -0.01 0.03 0.02 0.00 0.00 177.57 178.03 3kp1 h ARG 498 N 0.44 0.54 -0.86 1.57 3.08 -0.89 -3.14 114.38 115.13 3kp1 h ARG 498 Ca 0.06 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3kp1 h ARG 498 Cb 0.71 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3kp1 h ARG 498 CO 0.05 0.69 0.45 0.52 -1.07 0.00 0.00 179.97 180.62 3kp1 h MET 499 N 0.34 1.21 -0.03 0.04 2.86 0.07 -2.54 114.93 116.87 3kp1 h MET 499 Ca 0.09 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kp1 h MET 499 Cb 0.45 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kp1 h MET 499 CO 0.02 0.90 0.02 1.49 1.06 0.00 0.00 176.91 180.40 3kp1 h GLU 500 N 1.20 0.00 -0.16 1.72 4.22 -1.37 -2.03 114.58 118.16 3kp1 h GLU 500 Ca 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.66 3kp1 h GLU 500 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kp1 h GLU 500 CO -0.05 0.00 -0.24 1.49 -2.18 0.00 0.00 179.01 178.04 3kp1 h GLU 501 N 0.00 0.28 -0.25 1.92 4.57 -1.47 -3.14 114.58 116.49 3kp1 h GLU 501 Ca 0.01 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3kp1 h GLU 501 Cb 0.06 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3kp1 h GLU 501 CO -0.00 0.51 -0.01 0.25 -1.18 0.00 0.00 179.01 178.58 3kp1 n THR 502 N -4.17 2.30 0.22 0.32 -2.24 -0.78 -4.76 114.28 105.19 3kp1 n THR 502 Ca -0.01 -2.11 0.14 0.00 -2.27 0.00 0.00 64.05 59.81 3kp1 n THR 502 Cb 0.36 -0.27 0.78 0.00 -2.10 0.00 0.00 70.33 69.10 3kp1 n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kp1 h LYS 503 N 1.42 0.00 0.00 -0.78 1.57 -1.48 -1.75 116.57 115.55 3kp1 h LYS 503 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kp1 h LYS 503 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3kp1 h LYS 503 CO 0.24 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.27 3kp1 n GLU 504 N -4.10 0.04 -0.20 3.15 0.28 -1.26 -2.70 120.64 115.86 3kp1 n GLU 504 Ca -0.00 0.10 0.11 0.00 -0.16 0.00 0.00 57.16 57.22 3kp1 n GLU 504 Cb 0.22 -1.56 0.22 0.00 1.43 0.00 0.00 31.44 31.75 3kp1 n GLU 504 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kp1 n PHE 505 N -1.63 0.53 -1.96 -1.84 3.01 -0.66 -4.52 117.46 110.39 3kp1 n PHE 505 Ca 0.06 -0.28 -0.27 0.00 1.01 0.00 0.00 57.45 57.97 3kp1 n PHE 505 Cb 0.31 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.80 3kp1 n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kp1 n ARG 506 N 1.43 3.42 -0.03 -1.08 1.74 -1.10 -4.97 116.66 116.09 3kp1 n ARG 506 Ca 0.19 -4.05 0.12 0.00 -0.77 0.00 0.00 57.85 53.34 3kp1 n ARG 506 Cb 0.59 -2.28 0.17 0.00 -1.02 0.00 0.00 32.46 29.92 3kp1 n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kp1 n SER 509 N -0.71 2.88 -4.82 0.55 3.41 -1.26 -5.02 113.62 108.64 3kp1 n SER 509 Ca 0.47 -1.94 -0.33 0.00 -0.26 0.00 0.00 58.87 56.81 3kp1 n SER 509 Cb 0.86 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 3kp1 n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kp1 s MET 510 N -1.93 3.86 -0.05 4.33 -1.94 -1.26 -0.33 119.30 121.98 3kp1 s MET 510 Ca 0.31 1.10 -0.17 0.00 -1.71 0.00 0.00 55.69 55.22 3kp1 s MET 510 Cb 0.20 -2.12 0.03 0.00 2.01 0.00 0.00 34.83 34.96 3kp1 s MET 510 CO 0.31 -0.36 0.39 -1.50 -0.01 0.00 0.00 175.02 173.85 3kp1 s ILE 511 N -2.40 0.04 0.14 2.53 2.07 -0.10 -4.80 121.20 118.68 3kp1 s ILE 511 Ca 0.62 -0.31 -0.09 0.00 -1.41 0.00 0.00 60.65 59.45 3kp1 s ILE 511 Cb -0.12 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 3kp1 s ILE 511 CO 0.27 -0.17 0.26 -1.59 -1.91 0.00 0.00 174.94 171.80 3kp1 s LYS 512 N -1.03 1.04 0.91 3.50 -2.85 -1.26 -1.35 119.74 118.70 3kp1 s LYS 512 Ca -0.11 -1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 53.70 3kp1 s LYS 512 Cb -0.04 0.37 0.14 0.00 -2.06 0.00 0.00 37.83 36.24 3kp1 s LYS 512 CO 0.05 -0.37 1.11 -2.14 0.10 0.00 0.00 175.35 174.09 3kp1 s PRO 513 N -3.92 1.14 0.09 1.78 0.02 -1.26 -4.66 135.00 128.19 3kp1 s PRO 513 Ca 0.12 1.23 -0.17 0.00 0.02 0.00 0.00 61.00 62.20 3kp1 s PRO 513 Cb 0.04 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.83 3kp1 s PRO 513 CO -0.05 -2.45 0.41 -1.83 -0.33 0.00 0.00 177.00 172.75 3kp1 s GLU 514 N -4.74 1.01 -0.04 5.54 -1.05 -1.26 -1.40 118.70 116.75 3kp1 s GLU 514 Ca 0.65 -0.56 0.03 0.00 -0.15 0.00 0.00 54.97 54.94 3kp1 s GLU 514 Cb -0.21 0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 3kp1 s GLU 514 CO 0.58 -0.37 0.01 1.33 0.95 0.00 0.00 175.26 177.75 3kp1 n VAL 515 N 0.08 0.27 0.00 1.83 0.24 -1.26 -4.84 118.33 114.65 3kp1 n VAL 515 Ca -0.17 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3kp1 n VAL 515 Cb 0.62 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3kp1 n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kp1 n GLU 516 N -2.21 0.00 -4.57 7.34 0.28 -1.26 -1.27 120.64 118.94 3kp1 n GLU 516 Ca -0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.62 3kp1 n GLU 516 Cb 0.62 -0.34 -0.12 0.00 1.43 0.00 0.00 31.44 33.04 3kp1 n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kp1 s TRP 517 N -1.00 2.71 -0.33 -1.84 0.51 -1.26 -4.73 118.94 113.00 3kp1 s TRP 517 Ca 0.00 -0.16 -0.42 0.00 -2.12 0.00 0.00 56.10 53.40 3kp1 s TRP 517 Cb 0.00 -1.53 -0.17 0.00 -0.81 0.00 0.00 33.47 30.95 3kp1 s TRP 517 CO 0.00 0.31 1.66 0.94 -0.51 0.00 0.00 176.95 179.34 3kp1 n GLN 518 N 1.55 0.70 -2.40 4.98 7.27 -1.26 -0.74 117.38 127.48 3kp1 n GLN 518 Ca -0.16 0.26 -0.21 0.00 0.07 0.00 0.00 57.00 56.96 3kp1 n GLN 518 Cb 0.52 -1.87 -0.01 0.00 2.41 0.00 0.00 30.24 31.30 3kp1 n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kp1 n ALA 519 N 4.64 -0.62 0.52 1.69 0.00 -1.26 -4.87 120.51 120.61 3kp1 n ALA 519 Ca 0.28 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.97 3kp1 n ALA 519 Cb 0.06 -2.21 0.36 0.00 0.00 0.00 0.00 19.45 17.66 3kp1 n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kp1 n ASP 520 N -2.01 0.10 0.00 0.00 5.68 0.08 -4.90 116.55 115.51 3kp1 n ASP 520 Ca -0.25 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 3kp1 n ASP 520 Cb 0.69 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3kp1 n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp1 n GLY 521 N 0.11 1.20 3.74 6.12 0.00 -0.50 -4.86 105.19 111.02 3kp1 n GLY 521 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kp1 n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp1 s THR 522 N -3.60 3.68 0.20 2.61 2.01 -1.26 -0.86 115.64 118.42 3kp1 s THR 522 Ca 0.00 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.54 3kp1 s THR 522 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3kp1 s THR 522 CO 0.00 0.28 -0.03 0.68 -0.69 0.00 0.00 174.62 174.87 3kp1 s VAL 523 N -0.46 1.03 -0.13 3.82 -7.23 0.41 -4.11 120.40 113.74 3kp1 s VAL 523 Ca 0.49 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3kp1 s VAL 523 Cb -0.31 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3kp1 s VAL 523 CO 0.37 -0.44 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.42 3kp1 s LEU 524 N -3.26 3.00 -0.13 1.32 2.96 -1.26 -2.05 118.68 119.27 3kp1 s LEU 524 Ca 0.25 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3kp1 s LEU 524 Cb 0.05 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3kp1 s LEU 524 CO 0.06 0.20 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.86 3kp1 s LEU 525 N 0.15 2.18 -0.10 -0.68 2.96 0.70 -4.99 118.68 118.91 3kp1 s LEU 525 Ca -0.04 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3kp1 s LEU 525 Cb -0.14 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 3kp1 s LEU 525 CO 0.04 0.12 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.07 3kp1 s THR 526 N 0.60 2.18 0.14 3.68 2.01 -1.26 -0.39 115.64 122.61 3kp1 s THR 526 Ca -0.12 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 3kp1 s THR 526 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.51 3kp1 s THR 526 CO 0.03 0.56 0.30 0.00 -0.69 0.00 0.00 174.62 174.82 3kp1 s MET 527 N 0.27 1.09 -0.09 4.92 0.23 -0.22 -5.01 119.30 120.49 3kp1 s MET 527 Ca -0.16 -1.01 0.04 0.00 -1.03 0.00 0.00 55.69 53.53 3kp1 s MET 527 Cb -0.17 0.40 -0.00 0.00 -1.53 0.00 0.00 34.83 33.52 3kp1 s MET 527 CO 0.08 -0.40 -0.24 0.12 -2.03 0.00 0.00 175.02 172.55 3kp1 s PHE 528 N -3.90 2.48 -0.07 3.16 5.36 -1.26 -0.17 117.98 123.58 3kp1 s PHE 528 Ca 0.11 -0.94 0.05 0.00 -0.96 0.00 0.00 56.93 55.18 3kp1 s PHE 528 Cb 0.03 -1.65 -0.00 0.00 -0.34 0.00 0.00 43.02 41.05 3kp1 s PHE 528 CO -0.05 -0.36 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.61 3kp1 s LEU 529 N 0.22 2.02 -1.42 6.12 1.43 -0.43 -4.97 118.68 121.66 3kp1 s LEU 529 Ca -0.15 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 3kp1 s LEU 529 Cb -0.17 -1.28 -0.07 0.00 0.03 0.00 0.00 46.19 44.70 3kp1 s LEU 529 CO 0.07 0.19 2.64 -0.81 0.23 0.00 0.00 176.35 178.68 3kp1 n PRO 530 N 3.21 3.15 -3.95 1.29 -0.04 -1.26 -1.06 135.00 136.33 3kp1 n PRO 530 Ca -0.18 -2.08 -0.10 0.00 -0.04 0.00 0.00 63.50 61.10 3kp1 n PRO 530 Cb 0.52 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.16 3kp1 n PRO 530 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kp1 s THR 531 N 2.69 0.00 0.76 0.52 -1.32 -1.26 -4.74 115.64 112.29 3kp1 s THR 531 Ca 0.60 -1.30 -0.13 0.00 -1.21 0.00 0.00 61.69 59.65 3kp1 s THR 531 Cb 0.16 -2.46 0.05 0.00 -1.51 0.00 0.00 72.50 68.74 3kp1 s THR 531 CO -0.05 0.00 1.14 -0.94 -2.21 0.00 0.00 174.62 172.56 3kp1 s SER 532 N -3.07 4.26 0.27 8.08 1.04 -1.26 -3.37 113.70 119.65 3kp1 s SER 532 Ca 0.21 2.11 -0.03 0.00 0.48 0.00 0.00 55.95 58.72 3kp1 s SER 532 Cb -0.03 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.89 3kp1 s SER 532 CO 0.12 -2.21 1.85 0.07 0.98 0.00 0.00 173.24 174.06 3kp1 h LYS 533 N -0.69 0.99 -0.09 4.02 2.10 -1.92 -0.54 116.57 120.44 3kp1 h LYS 533 Ca -0.46 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.01 3kp1 h LYS 533 Cb 1.26 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3kp1 h LYS 533 CO 0.50 0.79 -0.08 -0.09 -2.00 0.00 0.00 179.45 178.57 3kp1 h ARG 534 N 0.97 0.21 -0.86 0.07 2.43 -1.98 -1.61 114.38 113.60 3kp1 h ARG 534 Ca 0.23 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3kp1 h ARG 534 Cb 0.16 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3kp1 h ARG 534 CO -0.02 0.62 0.56 0.28 -1.51 0.00 0.00 179.97 179.90 3kp1 h VAL 535 N -0.20 1.06 -0.54 0.20 2.07 -1.88 -2.51 116.25 114.45 3kp1 h VAL 535 Ca 0.01 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3kp1 h VAL 535 Cb 0.58 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3kp1 h VAL 535 CO 0.02 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.88 3kp1 h ALA 536 N 1.53 0.72 0.02 1.67 0.00 -0.91 0.05 119.26 122.34 3kp1 h ALA 536 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kp1 h ALA 536 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kp1 h ALA 536 CO -0.14 0.46 -0.10 1.49 0.00 0.00 0.00 179.25 180.96 3kp1 h GLU 537 N 0.78 -0.18 -0.21 0.00 4.81 -0.87 0.95 114.58 119.86 3kp1 h GLU 537 Ca 0.16 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3kp1 h GLU 537 Cb 0.41 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3kp1 h GLU 537 CO 0.01 -0.12 -0.36 0.74 -0.73 0.00 0.00 179.01 178.55 3kp1 h PHE 538 N -0.19 0.53 -0.37 0.92 0.04 -1.32 -1.90 116.94 114.65 3kp1 h PHE 538 Ca 0.03 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 3kp1 h PHE 538 Cb 0.23 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3kp1 h PHE 538 CO -0.16 0.76 0.04 0.00 -0.60 0.00 0.00 178.31 178.35 3kp1 h ALA 539 N 1.23 0.49 -0.90 2.45 0.00 -0.81 -2.42 119.26 119.31 3kp1 h ALA 539 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3kp1 h ALA 539 Cb 0.81 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3kp1 h ALA 539 CO 0.07 0.22 0.58 0.00 0.00 0.00 0.00 179.25 180.12 3kp1 h ALA 540 N 0.90 1.17 -0.66 0.00 0.00 -0.60 -0.07 119.26 120.01 3kp1 h ALA 540 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kp1 h ALA 540 Cb 0.40 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kp1 h ALA 540 CO 0.01 0.45 0.40 0.82 0.00 0.00 0.00 179.25 180.94 3kp1 h ILE 541 N 1.14 1.08 -0.45 0.00 1.08 -1.19 -0.18 117.51 118.99 3kp1 h ILE 541 Ca 0.35 -0.27 -0.10 0.00 -0.39 0.00 0.00 64.86 64.45 3kp1 h ILE 541 Cb -0.02 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 3kp1 h ILE 541 CO -0.11 0.14 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.04 3kp1 h GLU 542 N 0.79 0.83 -0.57 2.37 4.39 -0.86 -1.98 114.58 119.56 3kp1 h GLU 542 Ca 0.26 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kp1 h GLU 542 Cb 0.03 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3kp1 h GLU 542 CO -0.11 0.91 0.31 0.74 -1.16 0.00 0.00 179.01 179.70 3kp1 h PHE 543 N 0.74 0.78 -0.86 4.33 0.04 -0.46 -2.42 116.94 119.10 3kp1 h PHE 543 Ca 0.12 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 3kp1 h PHE 543 Cb 0.63 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3kp1 h PHE 543 CO 0.03 0.57 0.48 0.00 -0.60 0.00 0.00 178.31 178.79 3kp1 h ALA 544 N 1.14 1.22 -0.61 2.45 0.00 -0.77 -1.86 119.26 120.84 3kp1 h ALA 544 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kp1 h ALA 544 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3kp1 h ALA 544 CO -0.03 0.63 0.20 0.87 0.00 0.00 0.00 179.25 180.92 3kp1 h LYS 545 N 1.20 0.94 0.00 0.00 1.57 -1.22 -1.47 116.57 117.59 3kp1 h LYS 545 Ca 0.30 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kp1 h LYS 545 Cb 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3kp1 h LYS 545 CO -0.05 0.83 0.00 1.63 -0.57 0.00 0.00 179.45 181.29 3kp1 n LYS 546 N -4.41 0.18 -0.25 3.15 4.76 -0.92 -0.93 118.16 119.74 3kp1 n LYS 546 Ca 0.04 0.46 0.07 0.00 -2.87 0.00 0.00 58.31 56.00 3kp1 n LYS 546 Cb 0.20 -1.87 0.20 0.00 -1.84 0.00 0.00 35.03 31.72 3kp1 n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kp1 n MET 547 N -2.21 2.12 -0.98 1.97 2.81 -0.60 -4.92 117.12 115.31 3kp1 n MET 547 Ca 0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.29 3kp1 n MET 547 Cb 0.19 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3kp1 n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kp1 n ASN 548 N 0.77 -2.84 -4.78 7.83 3.02 -0.11 -5.01 115.26 114.14 3kp1 n ASN 548 Ca 0.15 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 3kp1 n ASN 548 Cb 0.41 -0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 3kp1 n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kp1 s LEU 549 N 0.00 4.26 0.37 3.41 1.43 -0.90 -4.47 118.68 122.79 3kp1 s LEU 549 Ca 0.00 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 3kp1 s LEU 549 Cb 0.00 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 3kp1 s LEU 549 CO 0.00 -0.35 0.17 -1.83 0.23 0.00 0.00 176.35 174.57 3kp1 s GLU 550 N -2.19 2.31 -1.47 1.70 4.04 0.19 -4.47 118.70 118.80 3kp1 s GLU 550 Ca 0.54 -1.68 -0.05 0.00 0.04 0.00 0.00 54.97 53.82 3kp1 s GLU 550 Cb -0.24 -2.10 0.04 0.00 0.02 0.00 0.00 34.13 31.85 3kp1 s GLU 550 CO 0.30 -0.00 0.54 -0.85 -1.84 0.00 0.00 175.26 173.41 3kp1 n GLU 551 N -1.20 -3.51 -2.41 -4.83 -0.00 -1.26 -0.83 120.64 106.60 3kp1 n GLU 551 Ca -0.02 0.42 -0.42 0.00 -0.00 0.00 0.00 57.16 57.14 3kp1 n GLU 551 Cb 0.63 -4.74 -0.03 0.00 -0.00 0.00 0.00 31.44 27.30 3kp1 n GLU 551 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3kp1 s VAL 552 N -3.77 4.12 -0.06 3.84 1.01 -1.26 -4.52 120.40 119.76 3kp1 s VAL 552 Ca 0.19 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.64 3kp1 s VAL 552 Cb -0.10 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.36 3kp1 s VAL 552 CO 0.89 0.01 -0.05 -1.61 0.00 0.00 0.00 175.10 174.34 3kp1 s GLU 553 N 2.13 0.99 0.01 2.72 2.02 -0.73 -5.01 118.70 120.83 3kp1 s GLU 553 Ca 0.58 -0.13 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 3kp1 s GLU 553 Cb -0.27 -1.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 3kp1 s GLU 553 CO 0.24 -0.11 1.37 0.08 0.02 0.00 0.00 175.26 176.85 3kp1 s VAL 554 N 1.09 3.75 0.00 2.63 1.01 -1.26 -1.38 120.40 126.24 3kp1 s VAL 554 Ca -0.08 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3kp1 s VAL 554 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3kp1 s VAL 554 CO -0.01 0.01 0.14 2.30 0.00 0.00 0.00 175.10 177.54 3kp1 n ILE 555 N 4.55 0.00 -3.74 2.22 -5.35 0.32 -4.96 119.36 112.39 3kp1 n ILE 555 Ca 0.12 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 3kp1 n ILE 555 Cb 0.44 1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.24 3kp1 n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kp1 s ASN 556 N -0.71 -0.34 -0.04 7.28 2.47 -1.04 -4.83 114.94 117.72 3kp1 s ASN 556 Ca 0.00 0.56 -0.01 0.00 0.42 0.00 0.00 52.86 53.83 3kp1 s ASN 556 Cb 0.00 0.63 0.03 0.00 -1.45 0.00 0.00 41.25 40.46 3kp1 s ASN 556 CO 0.00 -0.25 0.03 -0.13 -3.72 0.00 0.00 177.10 173.03 3kp1 s ARG 557 N -0.32 0.18 -0.06 0.43 0.52 -1.26 -1.65 118.95 116.79 3kp1 s ARG 557 Ca -0.05 0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 3kp1 s ARG 557 Cb -0.03 -0.56 0.01 0.00 0.52 0.00 0.00 34.95 34.89 3kp1 s ARG 557 CO 0.02 -0.24 -0.10 -1.21 0.02 0.00 0.00 175.30 173.79 3kp1 s GLU 558 N 1.62 1.43 -0.28 3.54 2.02 -0.53 -5.00 118.70 121.50 3kp1 s GLU 558 Ca -0.02 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.35 3kp1 s GLU 558 Cb -0.13 -1.23 0.01 0.00 0.10 0.00 0.00 34.13 32.89 3kp1 s GLU 558 CO -0.03 0.02 1.04 0.08 0.02 0.00 0.00 175.26 176.39 3kp1 s VAL 559 N 0.64 4.60 -0.06 2.63 1.01 -1.26 -0.77 120.40 127.19 3kp1 s VAL 559 Ca -0.12 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 3kp1 s VAL 559 Cb -0.15 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 3kp1 s VAL 559 CO 0.03 -0.34 0.44 0.24 0.00 0.00 0.00 175.10 175.47 3kp1 h MET 560 N 7.82 -0.34 -3.27 2.72 0.00 -1.64 -3.47 114.93 116.76 3kp1 h MET 560 Ca -0.20 0.02 -0.13 0.00 0.00 0.00 0.00 59.70 59.40 3kp1 h MET 560 Cb 1.06 0.08 -0.20 0.00 0.00 0.00 0.00 31.60 32.54 3kp1 h MET 560 CO 1.00 -0.19 -0.36 -1.14 0.00 0.00 0.00 176.91 176.21 3kp1 s GLN 561 N -2.75 0.61 0.23 1.72 -0.44 -1.07 -4.95 119.66 113.00 3kp1 s GLN 561 Ca -0.06 -0.32 -0.13 0.00 -2.50 0.00 0.00 55.36 52.35 3kp1 s GLN 561 Cb 0.00 0.26 0.28 0.00 -1.64 0.00 0.00 33.01 31.92 3kp1 s GLN 561 CO 0.18 -0.16 1.61 1.49 0.50 0.00 0.00 175.29 178.91 3kp1 h GLU 562 N 3.94 -0.01 0.12 1.67 4.81 -1.91 -1.67 114.58 121.53 3kp1 h GLU 562 Ca -0.30 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.56 3kp1 h GLU 562 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3kp1 h GLU 562 CO 0.41 -0.00 -2.03 0.00 -0.73 0.00 0.00 179.01 176.66 3kp1 n ALA 563 N -3.20 0.92 0.02 2.92 0.00 -1.26 -4.02 120.51 115.89 3kp1 n ALA 563 Ca 0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 3kp1 n ALA 563 Cb 0.37 -0.65 0.23 0.00 0.00 0.00 0.00 19.45 19.40 3kp1 n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kp1 h GLU 564 N 0.07 0.48 0.00 0.00 4.39 -1.78 -3.38 114.58 114.35 3kp1 h GLU 564 Ca -0.43 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.11 3kp1 h GLU 564 Cb 2.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 3kp1 h GLU 564 CO 0.08 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 3kp1 n GLY 565 N -0.53 0.78 2.89 -3.84 0.00 -0.67 -4.11 105.19 99.70 3kp1 n GLY 565 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 3kp1 n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp1 s THR 566 N -2.00 0.17 -0.04 2.61 2.01 -0.22 -1.53 115.64 116.63 3kp1 s THR 566 Ca 0.00 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 3kp1 s THR 566 Cb 0.00 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3kp1 s THR 566 CO 0.00 0.07 0.70 -0.60 -0.69 0.00 0.00 174.62 174.09 3kp1 s ARG 567 N 0.16 4.43 -0.05 4.92 3.52 0.05 -1.31 118.95 130.67 3kp1 s ARG 567 Ca -0.01 0.89 0.03 0.00 -0.13 0.00 0.00 55.73 56.51 3kp1 s ARG 567 Cb -0.03 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3kp1 s ARG 567 CO -0.00 0.14 -0.14 0.42 -0.81 0.00 0.00 175.30 174.90 3kp1 s ILE 568 N 0.54 1.22 -0.09 4.11 -1.09 0.75 -1.45 121.20 125.20 3kp1 s ILE 568 Ca 0.37 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 3kp1 s ILE 568 Cb -0.18 -1.08 -0.00 0.00 -1.58 0.00 0.00 42.46 39.62 3kp1 s ILE 568 CO 0.19 0.36 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.41 3kp1 s GLU 569 N 0.33 2.88 0.08 2.79 2.02 -0.66 -1.05 118.70 125.08 3kp1 s GLU 569 Ca -0.09 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.09 3kp1 s GLU 569 Cb -0.13 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 3kp1 s GLU 569 CO 0.03 0.26 -0.18 -0.51 0.02 0.00 0.00 175.26 174.88 3kp1 s LEU 570 N 0.15 2.27 0.18 1.80 1.02 0.48 -0.52 118.68 124.06 3kp1 s LEU 570 Ca -0.13 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.45 3kp1 s LEU 570 Cb -0.16 -0.72 -0.04 0.00 0.02 0.00 0.00 46.19 45.29 3kp1 s LEU 570 CO 0.07 0.01 0.09 -1.59 0.02 0.00 0.00 176.35 174.95 3kp1 s LYS 571 N -1.72 2.70 0.12 1.70 -2.85 -0.48 -0.21 119.74 119.00 3kp1 s LYS 571 Ca 0.03 -0.99 -0.25 0.00 -1.00 0.00 0.00 55.97 53.75 3kp1 s LYS 571 Cb -0.10 -2.52 0.07 0.00 -2.06 0.00 0.00 37.83 33.23 3kp1 s LYS 571 CO 0.03 0.46 0.85 0.20 0.10 0.00 0.00 175.35 176.99 3kp1 s GLY 572 N -3.14 -0.34 -0.09 0.59 0.00 -0.87 -1.77 107.32 101.71 3kp1 s GLY 572 Ca 0.30 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.43 3kp1 s GLY 572 CO 0.22 0.11 -0.17 -1.60 0.00 0.00 0.00 173.10 171.67 3kp1 s ARG 573 N -3.39 2.94 -0.00 2.90 3.52 -0.01 -0.44 118.95 124.46 3kp1 s ARG 573 Ca 0.08 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.65 3kp1 s ARG 573 Cb -0.02 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 3kp1 s ARG 573 CO -0.03 0.36 0.94 0.08 -0.81 0.00 0.00 175.30 175.85 3kp1 s VAL 574 N -0.07 4.88 -0.80 7.11 1.01 -0.04 -0.64 120.40 131.85 3kp1 s VAL 574 Ca -0.04 1.98 0.27 0.00 0.00 0.00 0.00 61.98 64.19 3kp1 s VAL 574 Cb -0.14 -4.28 0.23 0.00 0.00 0.00 0.00 36.38 32.18 3kp1 s VAL 574 CO 0.04 0.18 1.73 -0.81 0.00 0.00 0.00 175.10 176.24 3kp1 n PRO 575 N 3.84 0.18 -4.47 2.72 -0.05 -1.26 -4.76 135.00 131.21 3kp1 n PRO 575 Ca 0.05 0.13 -0.23 0.00 -0.05 0.00 0.00 63.50 63.40 3kp1 n PRO 575 Cb 0.51 -1.69 -0.10 0.00 -0.05 0.00 0.00 33.50 32.16 3kp1 n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3kp1 s PHE 576 N -3.08 2.16 0.41 0.54 -0.12 -1.26 -5.15 117.98 111.48 3kp1 s PHE 576 Ca 0.11 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3kp1 s PHE 576 Cb 0.14 -1.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 3kp1 s PHE 576 CO 0.60 0.50 0.25 -1.54 -0.05 0.00 0.00 175.22 174.99 3kp1 s SER 577 N -3.50 4.68 0.02 1.98 1.04 -1.26 -4.88 113.70 111.78 3kp1 s SER 577 Ca 0.30 -0.93 0.08 0.00 0.48 0.00 0.00 55.95 55.87 3kp1 s SER 577 Cb 0.01 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.57 3kp1 s SER 577 CO 0.14 -0.57 -0.23 -0.63 0.98 0.00 0.00 173.24 172.92 3kp1 s ILE 578 N -2.54 1.87 -0.28 -1.02 -1.09 -0.46 -4.94 121.20 112.74 3kp1 s ILE 578 Ca 0.44 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 3kp1 s ILE 578 Cb 0.01 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 3kp1 s ILE 578 CO 0.25 0.37 0.43 -0.62 -1.23 0.00 0.00 174.94 174.14 3kp1 s ASP 579 N -0.96 6.31 0.47 3.58 -1.08 -1.26 -0.92 116.67 122.80 3kp1 s ASP 579 Ca 0.09 0.28 0.18 0.00 -0.52 0.00 0.00 52.55 52.59 3kp1 s ASP 579 Cb -0.09 -2.24 1.17 0.00 -1.46 0.00 0.00 42.92 40.30 3kp1 s ASP 579 CO 0.01 -0.26 1.98 0.40 0.52 0.00 0.00 175.17 177.81 3kp1 h ILE 580 N 5.43 0.82 0.00 4.11 1.08 -1.03 0.83 117.51 128.76 3kp1 h ILE 580 Ca -0.30 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 3kp1 h ILE 580 Cb 1.15 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 3kp1 h ILE 580 CO 0.68 0.05 -0.19 0.78 -0.69 0.00 0.00 178.15 178.78 3kp1 h ASN 581 N 0.25 0.00 0.22 1.72 2.35 -1.93 -2.18 115.58 116.01 3kp1 h ASN 581 Ca 0.28 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3kp1 h ASN 581 Cb 0.75 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 3kp1 h ASN 581 CO -0.06 0.19 -0.11 0.28 -1.65 0.00 0.00 177.43 176.08 3kp1 h SER 582 N 0.00 0.00 -3.23 5.81 0.02 -1.22 -3.45 113.55 111.48 3kp1 h SER 582 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3kp1 h SER 582 Cb 0.75 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.31 3kp1 h SER 582 CO 0.02 0.11 0.64 -0.76 -1.14 0.00 0.00 176.83 175.71 3kp1 s LEU 583 N -7.85 4.40 -0.42 5.07 1.43 -0.82 -5.00 118.68 115.49 3kp1 s LEU 583 Ca -0.04 2.28 -0.15 0.00 -1.03 0.00 0.00 54.13 55.18 3kp1 s LEU 583 Cb 0.14 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3kp1 s LEU 583 CO 0.62 -0.53 0.33 -0.69 0.23 0.00 0.00 176.35 176.31 3kp1 s VAL 584 N 0.60 5.23 -0.26 -1.59 1.01 -1.26 -5.05 120.40 119.07 3kp1 s VAL 584 Ca 0.59 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3kp1 s VAL 584 Cb -0.35 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3kp1 s VAL 584 CO 0.33 -0.36 -0.11 -0.63 0.00 0.00 0.00 175.10 174.34 3kp1 s ILE 585 N 1.76 2.21 0.82 2.22 1.01 -1.26 -5.11 121.20 122.85 3kp1 s ILE 585 Ca 0.06 -1.61 -0.15 0.00 0.00 0.00 0.00 60.65 58.95 3kp1 s ILE 585 Cb -0.19 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3kp1 s ILE 585 CO 0.10 -0.02 0.36 -2.65 0.00 0.00 0.00 174.94 172.73 3kp1 n PRO 586 N 4.44 0.05 0.00 2.79 -0.01 -1.26 -5.31 135.00 135.69 3kp1 n PRO 586 Ca -0.14 0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.41 3kp1 n PRO 586 Cb 0.42 -1.75 0.00 0.00 -0.01 0.00 0.00 33.50 32.16 3kp1 n PRO 586 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 3kp1 n PRO 587 N -0.77 0.00 0.00 0.52 -0.02 -1.26 -5.33 135.00 128.14 3kp1 n PRO 587 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kp1 n PRO 587 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3kp1 n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kp1 n ILE 591 N 0.00 0.00 -2.55 4.25 -0.00 -1.26 -5.34 119.36 114.46 3kp1 n ILE 591 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.33 3kp1 n ILE 591 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 3kp1 n ILE 591 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3kp1 s LEU 592 N 0.00 4.35 0.66 1.39 1.43 -1.26 -5.04 118.68 120.21 3kp1 s LEU 592 Ca 0.00 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 3kp1 s LEU 592 Cb 0.00 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3kp1 s LEU 592 CO 0.00 -0.41 1.06 -0.94 0.23 0.00 0.00 176.35 176.29 3kp1 s SER 593 N 1.10 5.86 0.29 2.29 1.04 -1.26 -4.91 113.70 118.11 3kp1 s SER 593 Ca 0.55 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3kp1 s SER 593 Cb -0.25 -2.25 0.50 0.00 0.10 0.00 0.00 66.02 64.12 3kp1 s SER 593 CO 0.27 -1.10 1.90 1.05 0.98 0.00 0.00 173.24 176.34 3kp1 h GLU 594 N -0.48 1.03 -0.86 4.02 9.09 -2.00 -1.78 114.58 123.61 3kp1 h GLU 594 Ca -0.44 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 58.89 3kp1 h GLU 594 Cb 1.22 -0.23 -0.04 0.00 -1.65 0.00 0.00 28.75 28.04 3kp1 h GLU 594 CO 0.62 0.68 0.46 -0.44 0.05 0.00 0.00 179.01 180.39 3kp1 h ASP 595 N 1.06 1.08 -0.30 3.06 5.19 -1.99 -1.39 116.42 123.13 3kp1 h ASP 595 Ca 0.41 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.62 3kp1 h ASP 595 Cb 0.23 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3kp1 h ASP 595 CO -0.17 0.87 -0.22 -0.33 -3.12 0.00 0.00 179.24 176.28 3kp1 h GLU 596 N 1.20 0.68 -0.17 3.56 3.07 -1.78 -1.73 114.58 119.40 3kp1 h GLU 596 Ca 0.30 -0.33 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3kp1 h GLU 596 Cb 0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3kp1 h GLU 596 CO -0.05 0.93 0.05 0.82 -1.40 0.00 0.00 179.01 179.36 3kp1 h ILE 597 N 0.42 0.95 -0.26 3.13 1.08 -1.14 -0.48 117.51 121.21 3kp1 h ILE 597 Ca 0.06 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3kp1 h ILE 597 Cb 0.77 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 3kp1 h ILE 597 CO 0.06 0.02 0.12 -0.09 -0.69 0.00 0.00 178.15 177.58 3kp1 h ARG 598 N 0.13 0.38 -0.56 2.37 2.43 -1.24 -2.03 114.38 115.85 3kp1 h ARG 598 Ca 0.07 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3kp1 h ARG 598 Cb 0.05 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kp1 h ARG 598 CO -0.09 0.38 0.37 0.93 -1.51 0.00 0.00 179.97 180.05 3kp1 h GLU 599 N 0.29 0.73 -0.70 0.20 5.08 -1.16 0.68 114.58 119.69 3kp1 h GLU 599 Ca 0.09 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3kp1 h GLU 599 Cb 0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3kp1 h GLU 599 CO -0.01 0.48 0.46 0.22 -1.00 0.00 0.00 179.01 179.16 3kp1 h ASP 600 N 0.75 0.78 0.86 1.42 3.58 -0.80 -1.62 116.42 121.39 3kp1 h ASP 600 Ca 0.21 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.41 3kp1 h ASP 600 Cb -0.08 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 3kp1 h ASP 600 CO -0.05 0.56 -1.18 0.40 -2.88 0.00 0.00 179.24 176.09 3kp1 h ILE 601 N 0.92 1.50 -0.48 2.25 2.04 -1.04 -2.67 117.51 120.03 3kp1 h ILE 601 Ca 0.26 -3.24 -0.05 0.00 1.00 0.00 0.00 64.86 62.84 3kp1 h ILE 601 Cb -0.06 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3kp1 h ILE 601 CO -0.06 0.86 0.12 -0.33 0.00 0.00 0.00 178.15 178.74 3kp1 h GLU 602 N 0.00 0.77 -0.05 2.37 5.08 -0.33 -3.09 114.58 119.32 3kp1 h GLU 602 Ca -0.08 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 57.90 3kp1 h GLU 602 Cb 1.84 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 3kp1 h GLU 602 CO 0.12 0.74 -0.80 0.87 -1.00 0.00 0.00 179.01 178.94 3kp1 h LYS 603 N 0.65 0.41 -3.66 2.33 1.57 -1.39 -3.39 116.57 113.09 3kp1 h LYS 603 Ca 0.15 -0.37 -0.62 0.00 -1.87 0.00 0.00 60.65 57.95 3kp1 h LYS 603 Cb 0.32 0.09 -0.40 0.00 0.08 0.00 0.00 32.23 32.31 3kp1 h LYS 603 CO 0.00 1.02 -0.72 0.99 -0.57 0.00 0.00 179.45 180.16 3kp1 s THR 604 N -3.49 1.62 0.37 -0.16 2.01 -1.01 -5.11 115.64 109.87 3kp1 s THR 604 Ca -0.06 -2.23 -0.23 0.00 0.31 0.00 0.00 61.69 59.48 3kp1 s THR 604 Cb 0.10 -2.17 -0.14 0.00 0.01 0.00 0.00 72.50 70.29 3kp1 s THR 604 CO 0.85 -0.74 0.43 -2.65 -0.69 0.00 0.00 174.62 171.82 3kp1 n PRO 605 N 4.08 0.35 -3.73 4.92 -0.02 -1.17 -4.45 135.00 134.98 3kp1 n PRO 605 Ca 0.04 0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.39 3kp1 n PRO 605 Cb 0.38 -1.29 -0.17 0.00 -0.02 0.00 0.00 33.50 32.41 3kp1 n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kp1 s LEU 606 N 2.68 0.78 -0.12 2.45 2.96 -1.26 -5.07 118.68 121.10 3kp1 s LEU 606 Ca 0.62 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3kp1 s LEU 606 Cb -0.67 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 3kp1 s LEU 606 CO 0.59 -0.27 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.52 3kp1 s LYS 607 N 1.96 3.33 0.15 1.98 2.20 -1.26 -1.43 119.74 126.66 3kp1 s LYS 607 Ca 0.02 -0.60 0.10 0.00 -0.36 0.00 0.00 55.97 55.13 3kp1 s LYS 607 Cb -0.15 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 3kp1 s LYS 607 CO -0.07 0.33 -0.24 0.42 -0.36 0.00 0.00 175.35 175.43 3kp1 s ILE 608 N 0.08 2.15 -0.08 5.43 1.09 0.51 0.50 121.20 130.88 3kp1 s ILE 608 Ca -0.03 -1.81 0.04 0.00 -1.10 0.00 0.00 60.65 57.74 3kp1 s ILE 608 Cb -0.14 -1.94 -0.02 0.00 -1.06 0.00 0.00 42.46 39.30 3kp1 s ILE 608 CO 0.04 -0.03 -0.19 0.68 -0.10 0.00 0.00 174.94 175.33 3kp1 s VAL 609 N -1.34 2.59 0.03 2.92 -7.23 -0.50 -1.15 120.40 115.71 3kp1 s VAL 609 Ca 0.15 -0.87 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 3kp1 s VAL 609 Cb -0.09 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 3kp1 s VAL 609 CO 0.07 0.56 -0.11 0.00 -0.31 0.00 0.00 175.10 175.31 3kp1 s ALA 610 N -0.14 0.94 0.00 1.32 0.00 -0.26 -0.55 121.76 123.07 3kp1 s ALA 610 Ca -0.03 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 3kp1 s ALA 610 Cb -0.14 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.93 3kp1 s ALA 610 CO 0.04 0.16 0.72 0.00 0.00 0.00 0.00 175.76 176.68 3kp1 s ALA 611 N -0.83 -1.75 -0.18 0.00 0.00 -0.89 -0.60 121.76 117.52 3kp1 s ALA 611 Ca -0.01 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 3kp1 s ALA 611 Cb -0.07 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3kp1 s ALA 611 CO 0.01 -0.51 0.50 0.99 0.00 0.00 0.00 175.76 176.75 3kp1 s THR 612 N -2.14 5.13 0.27 0.00 2.01 -0.52 -1.23 115.64 119.17 3kp1 s THR 612 Ca -0.04 0.94 0.07 0.00 0.31 0.00 0.00 61.69 62.96 3kp1 s THR 612 Cb -0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 3kp1 s THR 612 CO 0.00 0.22 0.24 0.68 -0.69 0.00 0.00 174.62 175.07 3kp1 s VAL 613 N 1.36 4.28 0.00 3.82 -7.23 -0.87 -1.64 120.40 120.13 3kp1 s VAL 613 Ca 0.24 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3kp1 s VAL 613 Cb -0.15 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.40 3kp1 s VAL 613 CO 0.10 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3kp1 n GLY 614 N -1.26 0.41 1.48 2.32 0.00 -0.12 -3.62 105.19 104.41 3kp1 n GLY 614 Ca -0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 3kp1 n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kp1 n GLU 615 N 10.49 2.77 -3.12 1.61 1.02 -1.26 -3.48 120.64 128.67 3kp1 n GLU 615 Ca 0.00 -3.05 -0.40 0.00 -0.02 0.00 0.00 57.16 53.69 3kp1 n GLU 615 Cb 0.00 -1.99 -0.06 0.00 -0.02 0.00 0.00 31.44 29.37 3kp1 n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kp1 s ASP 616 N -1.77 6.75 0.00 1.62 3.68 -1.24 -4.85 116.67 120.86 3kp1 s ASP 616 Ca 0.49 0.91 0.20 0.00 2.13 0.00 0.00 52.55 56.29 3kp1 s ASP 616 Cb 0.41 -2.36 0.12 0.00 -1.45 0.00 0.00 42.92 39.64 3kp1 s ASP 616 CO 0.08 -0.21 1.11 -0.62 0.13 0.00 0.00 175.17 175.66 3kp1 n GLU 617 N 4.64 1.77 -2.12 4.34 -0.58 -1.26 -1.35 120.64 126.08 3kp1 n GLU 617 Ca -0.02 -1.53 -0.40 0.00 -0.42 0.00 0.00 57.16 54.79 3kp1 n GLU 617 Cb 0.50 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 3kp1 n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kp1 s HIS 618 N -1.85 1.82 -0.64 -0.32 3.76 -1.26 -4.84 115.29 111.96 3kp1 s HIS 618 Ca 0.22 0.67 0.22 0.00 -0.15 0.00 0.00 55.06 56.02 3kp1 s HIS 618 Cb 0.17 -4.17 -0.17 0.00 1.11 0.00 0.00 32.58 29.52 3kp1 s HIS 618 CO 0.32 -2.35 0.84 -1.13 -0.85 0.00 0.00 174.74 171.57 3kp1 n SER 619 N 11.63 0.62 -0.12 1.40 3.41 -1.26 -4.61 113.62 124.69 3kp1 n SER 619 Ca 0.19 -0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 58.18 3kp1 n SER 619 Cb 0.51 1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 3kp1 n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kp1 h VAL 620 N 0.00 1.26 -0.32 -3.33 2.07 -1.99 -2.90 116.25 111.04 3kp1 h VAL 620 Ca 0.00 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3kp1 h VAL 620 Cb 0.69 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3kp1 h VAL 620 CO 0.00 0.32 -0.18 1.23 0.02 0.00 0.00 177.57 178.96 3kp1 h GLY 621 N 0.41 0.04 0.82 2.17 0.00 -2.00 0.40 103.07 104.92 3kp1 h GLY 621 Ca 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3kp1 h GLY 621 CO 0.02 -0.18 -0.03 -2.00 0.00 0.00 0.00 176.54 174.35 3kp1 h LEU 622 N -0.14 0.41 -2.04 3.11 5.85 -1.87 -2.56 115.31 118.08 3kp1 h LEU 622 Ca 0.16 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3kp1 h LEU 622 Cb 0.39 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kp1 h LEU 622 CO -0.40 0.66 -0.05 0.03 -0.34 0.00 0.00 178.44 178.33 3kp1 h ARG 623 N 0.15 0.00 -0.23 1.25 3.08 -1.26 -2.43 114.38 114.93 3kp1 h ARG 623 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3kp1 h ARG 623 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3kp1 h ARG 623 CO 0.02 0.05 -0.14 0.93 -1.07 0.00 0.00 179.97 179.76 3kp1 h GLU 624 N 0.00 0.39 -0.19 0.04 4.39 -0.49 0.22 114.58 118.94 3kp1 h GLU 624 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3kp1 h GLU 624 Cb 0.10 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kp1 h GLU 624 CO 0.01 0.53 0.00 1.33 -1.16 0.00 0.00 179.01 179.71 3kp1 n VAL 625 N -4.22 0.24 0.00 3.13 0.24 -0.93 -4.16 118.33 112.63 3kp1 n VAL 625 Ca 0.00 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.34 61.88 3kp1 n VAL 625 Cb 0.31 0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 3kp1 n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kp1 n ILE 626 N 0.44 0.99 -1.59 1.34 5.41 -0.97 -0.65 119.36 124.33 3kp1 n ILE 626 Ca 0.16 0.21 -0.45 0.00 1.00 0.00 0.00 62.75 63.67 3kp1 n ILE 626 Cb 0.36 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 3kp1 n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kp1 n ASP 627 N -3.58 1.34 0.22 4.38 8.00 0.73 -1.64 116.55 126.00 3kp1 n ASP 627 Ca -0.06 1.17 0.07 0.00 0.71 0.00 0.00 54.79 56.68 3kp1 n ASP 627 Cb 0.27 -1.28 0.51 0.00 -0.02 0.00 0.00 41.12 40.60 3kp1 n ASP 627 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kp1 h ILE 628 N 2.15 0.90 -0.63 0.53 2.10 -1.89 0.30 117.51 120.97 3kp1 h ILE 628 Ca -0.40 -0.98 0.11 0.00 1.08 0.00 0.00 64.86 64.67 3kp1 h ILE 628 Cb 1.34 1.57 -0.12 0.00 -1.09 0.00 0.00 36.82 38.52 3kp1 h ILE 628 CO 0.63 0.25 -0.36 0.50 -1.08 0.00 0.00 178.15 178.09 3kp1 h LYS 629 N 0.00 -0.15 -0.87 2.19 1.63 -1.93 -1.39 116.57 116.04 3kp1 h LYS 629 Ca -0.00 0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 59.21 3kp1 h LYS 629 Cb 0.55 0.03 -0.33 0.00 -0.60 0.00 0.00 32.23 31.88 3kp1 h LYS 629 CO 0.03 -0.10 0.19 0.72 -3.45 0.00 0.00 179.45 176.84 3kp1 n HIS 630 N -5.43 2.94 -2.24 1.91 8.25 -1.25 -4.90 115.22 114.50 3kp1 n HIS 630 Ca 0.04 -2.62 -0.04 0.00 -0.26 0.00 0.00 57.72 54.84 3kp1 n HIS 630 Cb 0.36 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.49 3kp1 n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp1 n GLY 631 N -0.86 0.33 3.68 -1.41 0.00 -0.52 -4.67 105.19 101.74 3kp1 n GLY 631 Ca 0.54 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3kp1 n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kp1 s GLY 632 N -2.89 1.58 0.62 -0.02 0.00 0.09 -2.66 107.32 104.05 3kp1 s GLY 632 Ca 0.03 -0.28 0.37 0.00 0.00 0.00 0.00 44.72 44.84 3kp1 s GLY 632 CO 0.03 0.30 2.30 0.16 0.00 0.00 0.00 173.10 175.90 3kp1 h ILE 633 N -1.83 0.26 -1.07 0.90 3.07 -0.72 -0.12 117.51 117.99 3kp1 h ILE 633 Ca -0.53 -0.05 0.29 0.00 1.55 0.00 0.00 64.86 66.12 3kp1 h ILE 633 Cb 1.32 1.03 -0.10 0.00 -0.27 0.00 0.00 36.82 38.80 3kp1 h ILE 633 CO 0.57 0.01 0.68 -0.33 -1.05 0.00 0.00 178.15 178.02 3kp1 h GLU 634 N 0.00 0.36 0.00 0.16 5.08 -1.56 -0.99 114.58 117.62 3kp1 h GLU 634 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kp1 h GLU 634 Cb 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3kp1 h GLU 634 CO 0.00 0.24 0.00 0.36 -1.00 0.00 0.00 179.01 178.61 3kp1 n LYS 635 N -4.69 0.11 -0.12 2.33 2.85 -0.06 -1.83 118.16 116.75 3kp1 n LYS 635 Ca 0.27 0.36 0.10 0.00 -1.05 0.00 0.00 58.31 57.99 3kp1 n LYS 635 Cb 0.95 -1.71 0.16 0.00 -0.65 0.00 0.00 35.03 33.77 3kp1 n LYS 635 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kp1 n TYR 636 N -1.91 0.32 -0.43 5.58 4.01 -0.38 -4.96 117.16 119.38 3kp1 n TYR 636 Ca 0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3kp1 n TYR 636 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3kp1 n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kp1 n GLY 637 N 1.20 0.78 3.75 2.72 0.00 -0.76 -4.61 105.19 108.27 3kp1 n GLY 637 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 638 N -2.05 2.41 -0.20 1.61 1.01 -1.22 -4.80 120.40 117.15 3kp1 s VAL 638 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 3kp1 s VAL 638 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3kp1 s VAL 638 CO 0.00 0.06 0.77 -0.70 0.00 0.00 0.00 175.10 175.23 3kp1 s GLU 639 N -0.64 4.23 -0.17 2.72 2.12 -0.52 -4.61 118.70 121.83 3kp1 s GLU 639 Ca 0.60 0.86 -0.00 0.00 0.36 0.00 0.00 54.97 56.78 3kp1 s GLU 639 Cb -0.44 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.35 3kp1 s GLU 639 CO 0.47 -0.37 -0.14 0.08 -0.54 0.00 0.00 175.26 174.76 3kp1 s VAL 640 N 2.33 2.63 -0.43 3.70 1.01 -1.26 -0.36 120.40 128.01 3kp1 s VAL 640 Ca 0.34 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3kp1 s VAL 640 Cb -0.16 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.17 3kp1 s VAL 640 CO 0.10 0.50 0.30 -1.00 0.00 0.00 0.00 175.10 175.00 3kp1 s HIS 641 N 1.08 3.31 -0.25 5.22 3.76 -0.30 -4.98 115.29 123.12 3kp1 s HIS 641 Ca -0.00 -1.33 -0.11 0.00 -0.15 0.00 0.00 55.06 53.47 3kp1 s HIS 641 Cb -0.14 -3.01 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 3kp1 s HIS 641 CO -0.04 -0.83 0.20 -0.47 -0.85 0.00 0.00 174.74 172.75 3kp1 s TYR 642 N 1.49 3.29 -2.43 1.40 5.04 -1.26 -1.10 117.35 123.78 3kp1 s TYR 642 Ca 0.03 0.24 0.25 0.00 -2.44 0.00 0.00 57.07 55.15 3kp1 s TYR 642 Cb -0.23 -2.34 0.35 0.00 0.35 0.00 0.00 41.96 40.09 3kp1 s TYR 642 CO 0.04 -0.03 1.33 1.28 -1.34 0.00 0.00 175.55 176.83 3kp1 n LEU 643 N 4.60 2.16 0.00 6.97 4.77 0.24 -4.96 117.00 130.76 3kp1 n LEU 643 Ca -0.14 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3kp1 n LEU 643 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3kp1 n LEU 643 CO 0.35 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3kp1 n GLY 644 N 1.34 -1.40 3.76 -0.72 0.00 -1.26 -4.91 105.19 102.00 3kp1 n GLY 644 Ca 0.13 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 3kp1 n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kp1 s THR 645 N 0.00 2.61 -1.48 2.61 -4.23 -1.26 -1.43 115.64 112.45 3kp1 s THR 645 Ca 0.00 -1.65 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 3kp1 s THR 645 Cb 0.00 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.91 3kp1 s THR 645 CO 0.00 -0.07 0.64 -1.20 -0.54 0.00 0.00 174.62 173.46 3kp1 n SER 646 N -1.25 -1.90 -4.64 3.99 7.64 -0.46 -4.91 113.62 112.10 3kp1 n SER 646 Ca -0.01 -0.94 -0.40 0.00 1.01 0.00 0.00 58.87 58.53 3kp1 n SER 646 Cb 0.63 -3.28 -0.07 0.00 -1.01 0.00 0.00 64.21 60.48 3kp1 n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kp1 s VAL 647 N -3.65 5.08 0.44 0.44 1.01 -0.65 -4.70 120.40 118.37 3kp1 s VAL 647 Ca 0.29 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 3kp1 s VAL 647 Cb -0.15 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3kp1 s VAL 647 CO 0.88 0.12 1.43 -2.84 0.00 0.00 0.00 175.10 174.69 3kp1 s PRO 648 N 2.05 3.72 0.46 2.72 0.02 -1.26 -0.95 135.00 141.77 3kp1 s PRO 648 Ca 0.23 2.44 0.13 0.00 0.02 0.00 0.00 61.00 63.81 3kp1 s PRO 648 Cb -0.16 -2.68 1.09 0.00 0.02 0.00 0.00 34.50 32.77 3kp1 s PRO 648 CO 0.09 -0.80 2.07 -0.39 -0.33 0.00 0.00 177.00 177.64 3kp1 h VAL 649 N 2.36 0.99 -0.17 3.83 -1.51 -1.95 -1.23 116.25 118.56 3kp1 h VAL 649 Ca -0.51 -0.10 -0.11 0.00 -1.23 0.00 0.00 66.70 64.75 3kp1 h VAL 649 Cb 1.26 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3kp1 h VAL 649 CO 0.61 0.05 -0.38 -0.08 -1.23 0.00 0.00 177.57 176.55 3kp1 h GLU 650 N 0.29 0.38 -0.39 5.19 4.81 -1.95 -2.00 114.58 120.91 3kp1 h GLU 650 Ca 0.14 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3kp1 h GLU 650 Cb 0.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kp1 h GLU 650 CO -0.03 0.71 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.57 3kp1 h LYS 651 N 0.32 0.72 -0.49 1.92 1.63 -1.60 -1.67 116.57 117.40 3kp1 h LYS 651 Ca 0.03 -0.26 -0.10 0.00 -0.85 0.00 0.00 60.65 59.47 3kp1 h LYS 651 Cb 0.82 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.38 3kp1 h LYS 651 CO 0.07 0.85 -0.08 1.25 -3.45 0.00 0.00 179.45 178.09 3kp1 h LEU 652 N 0.65 0.93 -0.44 5.20 5.85 -1.16 -2.42 115.31 123.92 3kp1 h LEU 652 Ca 0.10 -0.34 -0.17 0.00 0.84 0.00 0.00 57.88 58.30 3kp1 h LEU 652 Cb 0.65 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kp1 h LEU 652 CO 0.05 1.05 -0.60 0.58 -0.34 0.00 0.00 178.44 179.18 3kp1 h VAL 653 N 0.78 1.32 -0.23 1.05 2.07 -1.19 -2.30 116.25 117.75 3kp1 h VAL 653 Ca 0.13 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.65 3kp1 h VAL 653 Cb 0.63 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3kp1 h VAL 653 CO 0.04 0.58 -0.46 0.44 0.02 0.00 0.00 177.57 178.19 3kp1 h ASP 654 N 0.45 0.64 -0.38 0.57 3.32 -1.34 -2.63 116.42 117.06 3kp1 h ASP 654 Ca -0.00 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 3kp1 h ASP 654 Cb 1.16 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3kp1 h ASP 654 CO 0.11 1.01 -0.02 0.00 -1.72 0.00 0.00 179.24 178.62 3kp1 h ALA 655 N 1.02 1.10 -0.94 3.45 0.00 -1.38 0.69 119.26 123.19 3kp1 h ALA 655 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kp1 h ALA 655 Cb 0.99 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3kp1 h ALA 655 CO 0.09 0.57 0.62 0.00 0.00 0.00 0.00 179.25 180.53 3kp1 h ALA 656 N 1.26 1.36 -0.07 0.00 0.00 -1.17 -1.36 119.26 119.28 3kp1 h ALA 656 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kp1 h ALA 656 Cb 0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kp1 h ALA 656 CO 0.02 0.57 -0.11 0.82 0.00 0.00 0.00 179.25 180.55 3kp1 h ILE 657 N 1.23 1.40 -0.65 0.00 2.04 -1.11 -0.58 117.51 119.84 3kp1 h ILE 657 Ca 0.36 -1.37 0.08 0.00 1.00 0.00 0.00 64.86 64.93 3kp1 h ILE 657 Cb -0.07 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3kp1 h ILE 657 CO -0.09 0.38 0.43 -0.33 0.00 0.00 0.00 178.15 178.54 3kp1 h GLU 658 N -0.29 0.57 -0.20 2.37 5.08 -0.53 -1.90 114.58 119.68 3kp1 h GLU 658 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kp1 h GLU 658 Cb 0.67 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3kp1 h GLU 658 CO 0.02 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.69 3kp1 n LEU 659 N -4.48 3.12 -4.28 1.33 4.77 -0.54 -4.96 117.00 111.96 3kp1 n LEU 659 Ca 0.10 -1.20 -0.31 0.00 -0.03 0.00 0.00 56.01 54.57 3kp1 n LEU 659 Cb 0.29 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3kp1 n LEU 659 CO 0.34 0.60 -0.45 2.29 -1.33 0.00 0.00 177.39 178.84 3kp1 n LYS 660 N 1.34 -1.13 -1.96 3.23 2.85 -0.72 -4.91 118.16 116.86 3kp1 n LYS 660 Ca 0.17 0.12 -0.37 0.00 -1.05 0.00 0.00 58.31 57.18 3kp1 n LYS 660 Cb 0.59 -3.64 0.03 0.00 -0.65 0.00 0.00 35.03 31.36 3kp1 n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kp1 s ALA 661 N -4.33 2.65 -0.30 0.58 0.00 -0.25 -4.94 121.76 115.17 3kp1 s ALA 661 Ca 0.01 1.11 0.21 0.00 0.00 0.00 0.00 51.96 53.29 3kp1 s ALA 661 Cb -0.01 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.78 3kp1 s ALA 661 CO 0.99 -1.20 1.35 -0.44 0.00 0.00 0.00 175.76 176.46 3kp1 h ASP 662 N 1.16 0.00 -5.05 0.00 3.32 -0.29 -3.47 116.42 112.08 3kp1 h ASP 662 Ca -0.50 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 3kp1 h ASP 662 Cb 1.30 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 3kp1 h ASP 662 CO 0.56 0.15 -0.09 0.00 -1.72 0.00 0.00 179.24 178.14 3kp1 s ALA 663 N -3.18 -0.98 -0.18 3.45 0.00 -1.17 -2.01 121.76 117.69 3kp1 s ALA 663 Ca 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3kp1 s ALA 663 Cb 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3kp1 s ALA 663 CO 0.73 -0.53 -0.09 0.42 0.00 0.00 0.00 175.76 176.29 3kp1 s ILE 664 N -2.97 3.14 -0.20 0.00 1.01 0.40 -1.41 121.20 121.16 3kp1 s ILE 664 Ca -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 3kp1 s ILE 664 Cb 0.00 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3kp1 s ILE 664 CO -0.06 0.48 -0.08 -0.76 0.00 0.00 0.00 174.94 174.53 3kp1 s LEU 665 N 0.94 2.78 -0.01 2.97 1.43 0.28 -1.00 118.68 126.08 3kp1 s LEU 665 Ca -0.02 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3kp1 s LEU 665 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3kp1 s LEU 665 CO -0.00 0.02 -0.19 0.00 0.23 0.00 0.00 176.35 176.40 3kp1 s ALA 666 N 1.25 1.59 -0.12 4.21 0.00 -0.60 -2.09 121.76 126.00 3kp1 s ALA 666 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3kp1 s ALA 666 Cb -0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3kp1 s ALA 666 CO -0.03 0.38 -0.08 0.45 0.00 0.00 0.00 175.76 176.48 3kp1 s SER 667 N -0.55 4.46 -0.28 0.00 0.15 -0.36 -1.33 113.70 115.78 3kp1 s SER 667 Ca 0.07 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 3kp1 s SER 667 Cb -0.07 -1.56 0.09 0.00 -1.71 0.00 0.00 66.02 62.77 3kp1 s SER 667 CO -0.00 0.21 0.06 0.42 1.20 0.00 0.00 173.24 175.13 3kp1 s THR 668 N 0.07 1.06 -0.15 6.45 -4.23 -0.15 -2.04 115.64 116.64 3kp1 s THR 668 Ca -0.03 -1.32 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 3kp1 s THR 668 Cb -0.14 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 3kp1 s THR 668 CO 0.03 -0.50 -0.17 -0.38 -0.54 0.00 0.00 174.62 173.06 3kp1 n ILE 669 N 4.79 1.44 -1.68 2.99 2.08 -1.26 -4.26 119.36 123.46 3kp1 n ILE 669 Ca -0.04 0.18 -0.45 0.00 0.56 0.00 0.00 62.75 63.00 3kp1 n ILE 669 Cb 0.43 -2.35 -0.04 0.00 -0.75 0.00 0.00 39.64 36.93 3kp1 n ILE 669 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kp1 n ILE 670 N -4.58 0.23 -1.28 1.39 5.41 -1.26 -4.65 119.36 114.63 3kp1 n ILE 670 Ca -0.11 -0.06 0.03 0.00 1.00 0.00 0.00 62.75 63.62 3kp1 n ILE 670 Cb 0.34 -1.59 0.04 0.00 -0.71 0.00 0.00 39.64 37.72 3kp1 n ILE 670 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3kp1 n SER 671 N 3.17 0.99 -4.70 4.38 3.41 -1.26 -4.21 113.62 115.40 3kp1 n SER 671 Ca 0.15 -2.17 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 3kp1 n SER 671 Cb 0.30 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3kp1 n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kp1 s HIS 672 N -1.02 2.99 -0.21 7.33 5.04 -1.26 -2.20 115.29 125.96 3kp1 s HIS 672 Ca 0.10 0.89 0.00 0.00 -1.54 0.00 0.00 55.06 54.51 3kp1 s HIS 672 Cb 0.09 -3.64 0.00 0.00 0.04 0.00 0.00 32.58 29.06 3kp1 s HIS 672 CO 0.01 -2.32 0.00 -3.47 -2.34 0.00 0.00 174.74 166.62 3kp1 n ASP 673 N 4.94 -2.55 -3.98 9.88 2.03 -1.26 -3.27 116.55 122.34 3kp1 n ASP 673 Ca 0.12 0.03 -0.32 0.00 0.52 0.00 0.00 54.79 55.14 3kp1 n ASP 673 Cb 0.44 -0.96 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 3kp1 n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kp1 n ASP 674 N 1.62 -3.56 0.24 1.67 8.00 -0.93 -4.82 116.55 118.77 3kp1 n ASP 674 Ca -0.02 -0.82 0.16 0.00 0.71 0.00 0.00 54.79 54.81 3kp1 n ASP 674 Cb 0.26 -2.91 0.67 0.00 -0.02 0.00 0.00 41.12 39.12 3kp1 n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kp1 h ILE 675 N -1.42 0.00 -0.15 0.53 6.09 -1.71 -2.45 117.51 118.40 3kp1 h ILE 675 Ca -0.54 -0.39 -0.19 0.00 -1.37 0.00 0.00 64.86 62.37 3kp1 h ILE 675 Cb 1.35 1.31 0.01 0.00 0.47 0.00 0.00 36.82 39.97 3kp1 h ILE 675 CO 0.70 0.00 -0.63 1.12 -3.07 0.00 0.00 178.15 176.28 3kp1 h HIS 676 N 0.00 0.92 -0.04 2.19 2.07 -1.84 -1.40 115.15 117.05 3kp1 h HIS 676 Ca 0.00 -0.40 -0.15 0.00 -2.85 0.00 0.00 60.37 56.97 3kp1 h HIS 676 Cb 0.43 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 3kp1 h HIS 676 CO 0.00 1.20 -0.66 1.88 -3.07 0.00 0.00 177.93 177.28 3kp1 h TYR 677 N 0.38 0.24 -0.37 6.12 0.05 -1.91 -2.79 116.97 118.69 3kp1 h TYR 677 Ca -0.04 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.55 3kp1 h TYR 677 Cb 1.26 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 3kp1 h TYR 677 CO 0.10 0.78 -0.15 0.87 -1.05 0.00 0.00 178.16 178.71 3kp1 h LYS 678 N 0.13 0.75 0.00 4.88 1.57 -1.43 -2.37 116.57 120.10 3kp1 h LYS 678 Ca -0.01 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 3kp1 h LYS 678 Cb 1.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3kp1 h LYS 678 CO 0.10 0.93 -0.29 -0.91 -0.57 0.00 0.00 179.45 178.70 3kp1 h ASN 679 N 0.54 0.00 0.06 0.86 2.35 -1.27 -1.93 115.58 116.19 3kp1 h ASN 679 Ca 0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3kp1 h ASN 679 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3kp1 h ASN 679 CO 0.05 0.29 -0.03 0.24 -1.65 0.00 0.00 177.43 176.33 3kp1 h MET 680 N 0.00 -0.07 -0.73 0.81 2.86 -1.29 -2.55 114.93 113.96 3kp1 h MET 680 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3kp1 h MET 680 Cb 0.57 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 3kp1 h MET 680 CO 0.04 0.09 0.43 -0.22 1.06 0.00 0.00 176.91 178.31 3kp1 h LYS 681 N -0.22 0.78 -0.84 1.72 3.64 -1.06 -1.07 116.57 119.51 3kp1 h LYS 681 Ca -0.01 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3kp1 h LYS 681 Cb 0.20 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3kp1 h LYS 681 CO 0.01 0.52 0.56 0.00 -2.27 0.00 0.00 179.45 178.27 3kp1 h ARG 682 N 0.80 1.11 0.00 1.90 3.08 -1.31 0.57 114.38 120.54 3kp1 h ARG 682 Ca 0.32 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3kp1 h ARG 682 Cb 0.15 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3kp1 h ARG 682 CO -0.17 0.73 -0.00 0.82 -1.07 0.00 0.00 179.97 180.28 3kp1 h ILE 683 N 1.14 1.14 -0.43 2.04 2.04 -0.87 0.43 117.51 123.00 3kp1 h ILE 683 Ca 0.31 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3kp1 h ILE 683 Cb -0.13 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3kp1 h ILE 683 CO -0.07 0.11 0.27 -0.74 0.00 0.00 0.00 178.15 177.72 3kp1 h HIS 684 N -0.18 0.50 -0.39 1.37 2.76 -0.76 -0.61 115.15 117.84 3kp1 h HIS 684 Ca -0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3kp1 h HIS 684 Cb 0.18 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 3kp1 h HIS 684 CO -0.02 0.30 0.12 0.93 -1.30 0.00 0.00 177.93 177.96 3kp1 h GLU 685 N 0.54 0.60 -0.44 5.26 5.08 0.30 -1.93 114.58 124.00 3kp1 h GLU 685 Ca 0.17 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3kp1 h GLU 685 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kp1 h GLU 685 CO -0.07 0.61 0.14 -0.07 -1.00 0.00 0.00 179.01 178.63 3kp1 h LEU 686 N 0.48 0.57 -0.46 1.33 3.38 0.01 -0.38 115.31 120.23 3kp1 h LEU 686 Ca 0.12 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3kp1 h LEU 686 Cb 0.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kp1 h LEU 686 CO -0.00 0.55 0.02 0.00 0.09 0.00 0.00 178.44 179.10 3kp1 h ALA 687 N 1.54 0.62 0.07 1.53 0.00 -0.70 0.11 119.26 122.43 3kp1 h ALA 687 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kp1 h ALA 687 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kp1 h ALA 687 CO -0.01 0.40 -0.03 0.28 0.00 0.00 0.00 179.25 179.89 3kp1 h VAL 688 N 0.66 1.07 -0.70 0.00 2.07 -1.06 -1.57 116.25 116.71 3kp1 h VAL 688 Ca 0.13 -0.46 0.18 0.00 0.82 0.00 0.00 66.70 67.38 3kp1 h VAL 688 Cb 0.47 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3kp1 h VAL 688 CO 0.02 0.11 0.49 -0.08 0.02 0.00 0.00 177.57 178.13 3kp1 h GLU 689 N -0.29 0.14 0.00 1.57 4.81 -0.92 0.87 114.58 120.75 3kp1 h GLU 689 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kp1 h GLU 689 Cb 0.26 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kp1 h GLU 689 CO 0.02 0.09 -0.42 1.63 -0.73 0.00 0.00 179.01 179.59 3kp1 n LYS 690 N -4.39 0.13 -0.87 1.92 4.76 0.01 -4.95 118.16 114.77 3kp1 n LYS 690 Ca 0.14 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3kp1 n LYS 690 Cb 0.68 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 3kp1 n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kp1 n GLY 691 N 1.43 0.80 1.03 0.72 0.00 0.30 -4.90 105.19 104.56 3kp1 n GLY 691 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3kp1 n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kp1 n ILE 692 N -2.32 0.22 -0.21 -0.61 -5.35 -0.95 -4.59 119.36 105.55 3kp1 n ILE 692 Ca 0.00 -0.61 0.09 0.00 -0.27 0.00 0.00 62.75 61.96 3kp1 n ILE 692 Cb 0.00 1.27 0.37 0.00 -1.74 0.00 0.00 39.64 39.54 3kp1 n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3kp1 h ARG 693 N 4.52 0.70 0.00 6.28 9.65 -1.84 0.18 114.38 133.86 3kp1 h ARG 693 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kp1 h ARG 693 Cb 0.98 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 3kp1 h ARG 693 CO 0.00 0.46 0.00 0.38 2.80 0.00 0.00 179.97 183.61 3kp1 h ASP 694 N 0.72 0.00 -0.18 -3.80 2.03 -1.91 -3.22 116.42 110.06 3kp1 h ASP 694 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 3kp1 h ASP 694 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3kp1 h ASP 694 CO -0.14 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.36 3kp1 n LYS 695 N -2.45 1.69 -4.25 4.15 5.02 0.02 -4.99 118.16 117.36 3kp1 n LYS 695 Ca 0.04 -1.69 -0.17 0.00 -2.02 0.00 0.00 58.31 54.47 3kp1 n LYS 695 Cb 0.39 -1.31 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 3kp1 n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kp1 s ILE 696 N -1.16 0.57 0.02 -0.18 2.07 -1.05 -4.93 121.20 116.54 3kp1 s ILE 696 Ca 0.22 -0.36 -0.18 0.00 -1.41 0.00 0.00 60.65 58.92 3kp1 s ILE 696 Cb 0.14 -0.49 -0.06 0.00 0.13 0.00 0.00 42.46 42.18 3kp1 s ILE 696 CO 0.20 0.13 0.53 -0.04 -1.91 0.00 0.00 174.94 173.84 3kp1 s MET 697 N -0.26 4.18 -0.13 3.50 -1.94 -0.85 -4.91 119.30 118.89 3kp1 s MET 697 Ca 0.02 0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 3kp1 s MET 697 Cb -0.03 -3.28 0.02 0.00 2.01 0.00 0.00 34.83 33.55 3kp1 s MET 697 CO -0.00 0.55 -0.12 0.42 -0.01 0.00 0.00 175.02 175.86 3kp1 s ILE 698 N -0.73 1.34 -0.03 2.53 1.01 -1.26 -0.45 121.20 123.60 3kp1 s ILE 698 Ca 0.28 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.47 3kp1 s ILE 698 Cb -0.18 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 3kp1 s ILE 698 CO 0.17 0.42 -0.15 -0.83 0.00 0.00 0.00 174.94 174.54 3kp1 s GLY 699 N 1.46 0.81 0.02 6.18 0.00 -0.17 -0.99 107.32 114.63 3kp1 s GLY 699 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.17 3kp1 s GLY 699 CO -0.08 -0.36 -0.15 0.00 0.00 0.00 0.00 173.10 172.51 3kp1 s GLY 701 N -0.83 1.13 0.00 0.00 0.00 -0.44 -1.15 107.32 106.03 3kp1 s GLY 701 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3kp1 s GLY 701 CO 0.01 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.50 3kp1 n GLY 702 N -0.25 3.29 0.34 0.20 0.00 -0.58 -0.98 105.19 107.21 3kp1 n GLY 702 Ca -0.01 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.12 3kp1 n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kp1 h THR 703 N 1.00 0.71 -0.66 2.61 2.02 -1.83 -1.46 112.91 115.31 3kp1 h THR 703 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kp1 h THR 703 Cb 0.00 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 3kp1 h THR 703 CO 0.00 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3kp1 n GLN 704 N -4.80 3.57 -2.99 6.66 1.13 -1.26 -4.09 117.38 115.61 3kp1 n GLN 704 Ca 0.21 -2.86 -0.41 0.00 -1.94 0.00 0.00 57.00 52.00 3kp1 n GLN 704 Cb 0.52 -1.84 -0.05 0.00 0.11 0.00 0.00 30.24 28.98 3kp1 n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kp1 s VAL 705 N -1.70 4.89 -0.25 5.09 1.01 -0.55 -5.03 120.40 123.86 3kp1 s VAL 705 Ca 0.51 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 63.68 3kp1 s VAL 705 Cb 0.32 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kp1 s VAL 705 CO 0.26 -0.06 0.33 -0.89 0.00 0.00 0.00 175.10 174.74 3kp1 s THR 706 N 2.73 5.23 0.17 3.92 2.01 -1.26 -3.68 115.64 124.75 3kp1 s THR 706 Ca 0.31 0.51 -0.19 0.00 0.31 0.00 0.00 61.69 62.62 3kp1 s THR 706 Cb -0.15 -3.66 0.10 0.00 0.01 0.00 0.00 72.50 68.80 3kp1 s THR 706 CO 0.09 0.22 1.63 -0.65 -0.69 0.00 0.00 174.62 175.22 3kp1 h PRO 707 N 7.85 -0.13 -0.79 4.92 0.11 -1.93 -0.73 132.00 141.30 3kp1 h PRO 707 Ca -0.34 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.92 3kp1 h PRO 707 Cb 1.17 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 3kp1 h PRO 707 CO 0.66 -0.08 0.36 0.93 -0.21 0.00 0.00 178.00 179.65 3kp1 h GLU 708 N -0.13 0.51 -0.21 1.05 3.07 -1.94 -0.56 114.58 116.36 3kp1 h GLU 708 Ca 0.20 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.84 3kp1 h GLU 708 Cb 0.43 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3kp1 h GLU 708 CO -0.48 0.33 -0.61 0.28 -1.40 0.00 0.00 179.01 177.13 3kp1 h VAL 709 N 0.52 1.30 -0.50 3.13 2.07 -1.70 -2.22 116.25 118.85 3kp1 h VAL 709 Ca 0.43 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 66.15 3kp1 h VAL 709 Cb 0.62 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3kp1 h VAL 709 CO -0.38 0.58 0.25 0.00 0.02 0.00 0.00 177.57 178.05 3kp1 h ALA 710 N 0.77 0.64 -0.22 1.67 0.00 -0.23 -2.12 119.26 119.77 3kp1 h ALA 710 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kp1 h ALA 710 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kp1 h ALA 710 CO 0.12 -0.10 -0.07 0.28 0.00 0.00 0.00 179.25 179.48 3kp1 h VAL 711 N 0.49 1.18 0.00 0.00 2.07 -1.01 -1.47 116.25 117.51 3kp1 h VAL 711 Ca 0.22 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3kp1 h VAL 711 Cb 0.13 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3kp1 h VAL 711 CO -0.16 0.24 -0.04 0.11 0.02 0.00 0.00 177.57 177.75 3kp1 h LYS 712 N 0.33 0.00 0.00 1.57 1.57 -0.75 -0.79 116.57 118.50 3kp1 h LYS 712 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kp1 h LYS 712 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kp1 h LYS 712 CO 0.02 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.98 3kp1 n GLN 713 N -4.12 0.17 0.00 3.15 1.13 -0.55 -4.90 117.38 112.26 3kp1 n GLN 713 Ca -0.03 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3kp1 n GLN 713 Cb 0.13 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.71 3kp1 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kp1 n GLY 714 N 0.53 0.83 3.91 1.08 0.00 -0.30 -4.47 105.19 106.76 3kp1 n GLY 714 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3kp1 n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp1 s VAL 715 N -2.00 2.95 0.04 1.61 -7.23 -1.24 -4.88 120.40 109.64 3kp1 s VAL 715 Ca 0.00 0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.33 3kp1 s VAL 715 Cb 0.00 -3.26 -0.13 0.00 0.56 0.00 0.00 36.38 33.55 3kp1 s VAL 715 CO 0.00 -0.30 1.33 0.44 -0.31 0.00 0.00 175.10 176.25 3kp1 h ASP 716 N -0.58 0.00 -4.77 4.85 3.32 -1.40 -3.40 116.42 114.44 3kp1 h ASP 716 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3kp1 h ASP 716 Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.64 3kp1 h ASP 716 CO 0.62 0.85 0.28 0.00 -1.72 0.00 0.00 179.24 179.28 3kp1 s ALA 717 N -2.79 -1.81 0.06 3.45 0.00 -1.17 -4.95 121.76 114.56 3kp1 s ALA 717 Ca 0.02 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.42 3kp1 s ALA 717 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3kp1 s ALA 717 CO 0.80 -0.37 -0.24 0.20 0.00 0.00 0.00 175.76 176.14 3kp1 s GLY 718 N -1.24 1.32 -0.07 0.00 0.00 -1.26 -1.67 107.32 104.39 3kp1 s GLY 718 Ca -0.08 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 3kp1 s GLY 718 CO 0.07 -1.13 -0.03 -1.36 0.00 0.00 0.00 173.10 170.65 3kp1 s PHE 719 N -0.84 0.85 0.00 1.90 0.08 -0.30 -4.41 117.98 115.26 3kp1 s PHE 719 Ca 0.10 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.87 3kp1 s PHE 719 Cb -0.10 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 3kp1 s PHE 719 CO 0.02 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.24 3kp1 n GLY 720 N 4.73 4.43 3.53 4.36 0.00 -1.24 -1.53 105.19 119.47 3kp1 n GLY 720 Ca -0.14 -1.92 -0.47 0.00 0.00 0.00 0.00 46.02 43.49 3kp1 n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp1 n ARG 721 N 0.00 0.85 -0.98 1.61 1.74 -1.26 -2.28 116.66 116.35 3kp1 n ARG 721 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3kp1 n ARG 721 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3kp1 n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kp1 n GLY 722 N 1.63 0.63 3.76 -0.13 0.00 -1.26 -5.01 105.19 104.82 3kp1 n GLY 722 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3kp1 n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kp1 s SER 723 N -2.36 5.85 0.27 1.61 0.01 -0.97 -5.04 113.70 113.08 3kp1 s SER 723 Ca 0.00 2.65 0.03 0.00 1.31 0.00 0.00 55.95 59.94 3kp1 s SER 723 Cb 0.00 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 3kp1 s SER 723 CO 0.00 -1.17 0.06 -0.54 0.41 0.00 0.00 173.24 172.00 3kp1 s LYS 724 N -2.61 1.47 0.27 12.44 1.02 -1.26 -4.87 119.74 126.19 3kp1 s LYS 724 Ca 0.64 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 3kp1 s LYS 724 Cb -0.37 -0.55 0.52 0.00 -0.52 0.00 0.00 37.83 36.91 3kp1 s LYS 724 CO 0.46 -0.21 1.80 0.78 -0.92 0.00 0.00 175.35 177.26 3kp1 h GLY 725 N 2.32 1.47 0.73 -3.33 0.00 -1.71 -1.49 103.07 101.05 3kp1 h GLY 725 Ca -0.39 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 46.66 3kp1 h GLY 725 CO 0.65 0.07 0.34 1.19 0.00 0.00 0.00 176.54 178.78 3kp1 h ILE 726 N 0.79 0.98 -0.59 2.60 6.09 -1.91 0.32 117.51 125.80 3kp1 h ILE 726 Ca 0.47 -0.22 0.07 0.00 -1.37 0.00 0.00 64.86 63.81 3kp1 h ILE 726 Cb 0.55 0.28 -0.06 0.00 0.47 0.00 0.00 36.82 38.06 3kp1 h ILE 726 CO -0.30 0.12 0.26 0.45 -3.07 0.00 0.00 178.15 175.61 3kp1 h HIS 727 N 0.65 0.47 -0.14 2.19 3.86 -1.66 1.00 115.15 121.51 3kp1 h HIS 727 Ca 0.27 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.38 3kp1 h HIS 727 Cb 0.14 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3kp1 h HIS 727 CO -0.08 0.17 -0.39 0.28 0.86 0.00 0.00 177.93 178.78 3kp1 h VAL 728 N 0.48 1.36 -0.84 2.45 2.07 -0.97 -2.06 116.25 118.74 3kp1 h VAL 728 Ca 0.28 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 3kp1 h VAL 728 Cb 0.28 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3kp1 h VAL 728 CO -0.24 0.50 0.40 0.00 0.02 0.00 0.00 177.57 178.25 3kp1 h ALA 729 N 0.53 1.12 0.08 1.67 0.00 -0.31 -0.74 119.26 121.60 3kp1 h ALA 729 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kp1 h ALA 729 Cb 1.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kp1 h ALA 729 CO 0.08 0.66 -0.11 1.15 0.00 0.00 0.00 179.25 181.04 3kp1 h THR 730 N 1.20 0.75 -0.58 0.00 2.02 -0.75 -1.70 112.91 113.85 3kp1 h THR 730 Ca 0.29 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.57 3kp1 h THR 730 Cb 0.13 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.20 3kp1 h THR 730 CO -0.04 0.00 0.13 0.15 0.37 0.00 0.00 175.52 176.14 3kp1 h PHE 731 N -0.23 0.22 -0.51 3.16 3.57 -1.08 -1.59 116.94 120.47 3kp1 h PHE 731 Ca 0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 3kp1 h PHE 731 Cb 0.23 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3kp1 h PHE 731 CO -0.13 -0.01 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.71 3kp1 h LEU 732 N 0.27 1.03 0.06 0.59 3.38 -0.81 -1.16 115.31 118.67 3kp1 h LEU 732 Ca 0.30 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kp1 h LEU 732 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kp1 h LEU 732 CO -0.37 1.16 -0.03 -0.37 0.09 0.00 0.00 178.44 178.92 3kp1 h VAL 733 N 0.89 1.23 -0.45 1.22 -1.51 -1.09 -2.27 116.25 114.27 3kp1 h VAL 733 Ca 0.13 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3kp1 h VAL 733 Cb 0.74 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 3kp1 h VAL 733 CO 0.06 0.27 0.29 0.11 -1.23 0.00 0.00 177.57 177.06 3kp1 h LYS 734 N -0.58 0.60 -0.72 5.19 1.57 -1.29 -1.66 116.57 119.67 3kp1 h LYS 734 Ca -0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3kp1 h LYS 734 Cb 0.50 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3kp1 h LYS 734 CO 0.01 0.41 0.19 -0.22 -0.57 0.00 0.00 179.45 179.27 3kp1 h LYS 735 N 0.60 1.14 -0.65 3.15 1.63 -1.30 0.25 116.57 121.40 3kp1 h LYS 735 Ca 0.16 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.63 3kp1 h LYS 735 Cb -0.05 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 3kp1 h LYS 735 CO -0.03 1.00 0.13 -0.09 -3.45 0.00 0.00 179.45 177.01 3kp1 h ARG 736 N 1.08 1.04 0.13 1.90 2.43 -1.10 -0.58 114.38 119.28 3kp1 h ARG 736 Ca 0.23 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kp1 h ARG 736 Cb 0.36 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3kp1 h ARG 736 CO 0.00 0.94 -0.06 0.00 -1.51 0.00 0.00 179.97 179.34 3kp1 h ARG 737 N 0.98 -0.16 -0.51 0.20 3.08 -0.95 -2.17 114.38 114.86 3kp1 h ARG 737 Ca 0.20 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.37 3kp1 h ARG 737 Cb 0.38 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.37 3kp1 h ARG 737 CO 0.01 0.06 -0.17 0.93 -1.07 0.00 0.00 179.97 179.73 3kp1 h GLU 738 N -0.36 -0.05 -0.27 0.04 5.08 -0.75 -2.43 114.58 115.85 3kp1 h GLU 738 Ca -0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3kp1 h GLU 738 Cb 0.30 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3kp1 h GLU 738 CO 0.03 -0.03 -0.01 0.52 -1.00 0.00 0.00 179.01 178.51 3kp1 h MET 739 N -0.05 0.06 0.00 2.33 2.86 -0.95 -3.51 114.93 115.67 3kp1 h MET 739 Ca 0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3kp1 h MET 739 Cb 0.42 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3kp1 h MET 739 CO -0.55 0.04 0.00 0.54 1.06 0.00 0.00 176.91 178.00