#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 3.84 0.55 3.23 0.52 -1.26 -5.00 118.95 120.82 3kp1 s ARG 8 Ca 0.00 -0.24 0.26 0.00 -0.52 0.00 0.00 55.73 55.22 3kp1 s ARG 8 Cb 0.00 -3.25 1.46 0.00 0.52 0.00 0.00 34.95 33.68 3kp1 s ARG 8 CO 0.00 0.45 2.03 -0.39 0.02 0.00 0.00 175.30 177.42 3kp1 h VAL 9 N 4.50 0.65 -0.70 3.52 -1.51 -2.02 -1.24 116.25 119.45 3kp1 h VAL 9 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3kp1 h VAL 9 Cb 1.18 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3kp1 h VAL 9 CO 0.68 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.56 3kp1 n ASN 10 N -4.17 3.75 -4.35 4.19 6.94 -1.26 -4.92 115.26 115.45 3kp1 n ASN 10 Ca 0.06 -2.00 -0.32 0.00 -0.02 0.00 0.00 54.58 52.30 3kp1 n ASN 10 Cb 0.48 -0.47 -0.15 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.06 2.33 0.43 -3.83 2.02 -0.47 -5.11 118.70 113.00 3kp1 s GLU 11 Ca 0.47 -0.85 -0.26 0.00 0.02 0.00 0.00 54.97 54.35 3kp1 s GLU 11 Cb 0.24 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 32.22 3kp1 s GLU 11 CO 0.32 0.54 1.42 0.15 0.02 0.00 0.00 175.26 177.71 3kp1 s LYS 12 N -0.54 3.81 0.24 1.61 1.02 -1.26 -4.68 119.74 119.94 3kp1 s LYS 12 Ca 0.08 2.41 -0.29 0.00 0.02 0.00 0.00 55.97 58.18 3kp1 s LYS 12 Cb -0.11 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.32 3kp1 s LYS 12 CO 0.00 -0.71 0.96 1.28 -0.92 0.00 0.00 175.35 175.97 3kp1 n LEU 13 N -0.01 1.18 -4.35 3.17 4.77 -1.26 -4.90 117.00 115.59 3kp1 n LEU 13 Ca 0.04 1.16 -0.46 0.00 -0.03 0.00 0.00 56.01 56.72 3kp1 n LEU 13 Cb 0.42 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 3kp1 n LEU 13 CO 0.59 -1.66 0.47 -0.62 -1.33 0.00 0.00 177.39 174.84 3kp1 s ASP 14 N -0.49 6.64 0.07 -1.43 -1.08 -1.26 -4.90 116.67 114.22 3kp1 s ASP 14 Ca 0.64 -2.42 -0.21 0.00 -0.52 0.00 0.00 52.55 50.03 3kp1 s ASP 14 Cb -0.79 -2.24 -0.12 0.00 -1.46 0.00 0.00 42.92 38.32 3kp1 s ASP 14 CO 0.57 -0.71 1.54 0.58 0.52 0.00 0.00 175.17 177.68 3kp1 h VAL 15 N 5.12 1.21 -1.08 1.11 2.07 -1.95 -1.71 116.25 121.04 3kp1 h VAL 15 Ca 0.04 -0.68 0.29 0.00 0.82 0.00 0.00 66.70 67.17 3kp1 h VAL 15 Cb 1.05 1.38 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3kp1 h VAL 15 CO 0.86 0.20 0.70 -0.08 0.02 0.00 0.00 177.57 179.27 3kp1 h GLU 16 N 0.03 0.32 0.09 1.57 4.81 -1.98 -0.09 114.58 119.34 3kp1 h GLU 16 Ca 0.05 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 3kp1 h GLU 16 Cb 0.29 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kp1 h GLU 16 CO 0.00 0.21 -1.14 -0.97 -0.73 0.00 0.00 179.01 176.38 3kp1 h ASN 17 N 0.33 0.38 -0.24 1.04 -1.24 -1.76 -3.11 115.58 110.99 3kp1 h ASN 17 Ca 0.62 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 3kp1 h ASN 17 Cb 1.67 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.59 3kp1 h ASN 17 CO -0.29 1.27 0.03 0.40 -1.29 0.00 0.00 177.43 177.54 3kp1 h ILE 18 N 0.09 1.18 0.00 2.57 2.04 -0.24 -2.09 117.51 121.07 3kp1 h ILE 18 Ca -0.11 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3kp1 h ILE 18 Cb 1.85 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3kp1 h ILE 18 CO 0.18 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.76 3kp1 n LEU 19 N -4.31 0.00 -4.74 1.44 4.77 -0.44 -4.70 117.00 109.02 3kp1 n LEU 19 Ca 0.02 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 3kp1 n LEU 19 Cb 0.22 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3kp1 n LEU 19 CO 0.38 -0.14 0.70 -0.54 -1.33 0.00 0.00 177.39 176.46 3kp1 s LYS 20 N -2.76 4.73 -1.59 3.23 1.02 -0.79 -4.13 119.74 119.44 3kp1 s LYS 20 Ca 0.14 1.55 -0.04 0.00 0.02 0.00 0.00 55.97 57.64 3kp1 s LYS 20 Cb 0.12 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3kp1 s LYS 20 CO 0.31 0.29 0.45 -0.25 -0.92 0.00 0.00 175.35 175.23 3kp1 n ASP 21 N 2.13 -5.94 0.28 2.83 8.00 -1.26 -4.84 116.55 117.75 3kp1 n ASP 21 Ca 0.01 -0.22 0.12 0.00 0.71 0.00 0.00 54.79 55.41 3kp1 n ASP 21 Cb 0.47 -4.84 0.79 0.00 -0.02 0.00 0.00 41.12 37.53 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 -1.02 0.00 -2.16 0.64 3.38 -1.84 0.86 115.31 115.17 3kp1 h LEU 22 Ca -0.51 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.51 3kp1 h LEU 22 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3kp1 h LEU 22 CO 0.57 0.02 0.18 -2.24 0.09 0.00 0.00 178.44 177.06 3kp1 h ASP 23 N 0.00 0.00 0.26 -0.43 2.03 -1.93 -1.81 116.42 114.53 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 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3kp1 h ASP 23 CO 0.00 0.00 -0.35 0.29 -1.03 0.00 0.00 179.24 178.16 3kp1 n LYS 24 N -4.08 0.68 -2.57 4.15 4.76 0.29 -4.96 118.16 116.43 3kp1 n LYS 24 Ca 0.02 -0.42 -0.42 0.00 -2.87 0.00 0.00 58.31 54.62 3kp1 n LYS 24 Cb 0.31 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.61 3.59 0.00 2.13 5.04 -0.68 -5.04 117.35 119.77 3kp1 s TYR 25 Ca 0.21 1.56 0.06 0.00 -2.44 0.00 0.00 57.07 56.46 3kp1 s TYR 25 Cb 0.19 -3.24 -0.02 0.00 0.35 0.00 0.00 41.96 39.24 3kp1 s TYR 25 CO 0.57 -0.53 -0.19 0.99 -1.34 0.00 0.00 175.55 175.05 3kp1 s THR 26 N 0.63 1.49 0.32 4.34 2.01 -1.26 -5.07 115.64 118.10 3kp1 s THR 26 Ca 0.53 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 3kp1 s THR 26 Cb -0.26 -1.25 -0.10 0.00 0.01 0.00 0.00 72.50 70.89 3kp1 s THR 26 CO 0.30 0.35 1.38 -2.16 -0.69 0.00 0.00 174.62 173.80 3kp1 s PRO 27 N -0.62 4.28 0.31 4.92 0.04 -1.26 -4.91 135.00 137.76 3kp1 s PRO 27 Ca 0.07 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.44 3kp1 s PRO 27 Cb -0.08 -3.06 0.50 0.00 0.04 0.00 0.00 34.50 31.91 3kp1 s PRO 27 CO -0.00 -0.32 1.83 0.87 0.04 0.00 0.00 177.00 179.42 3kp1 h LYS 28 N 3.71 0.62 -4.08 4.56 1.57 -1.96 -3.46 116.57 117.53 3kp1 h LYS 28 Ca -0.49 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 57.97 3kp1 h LYS 28 Cb 1.23 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 33.35 3kp1 h LYS 28 CO 0.68 0.64 -0.29 -0.98 -0.57 0.00 0.00 179.45 178.93 3kp1 s ARG 29 N -4.96 1.55 0.07 3.15 1.70 -1.26 -5.18 118.95 114.02 3kp1 s ARG 29 Ca -0.08 -1.51 0.02 0.00 -0.47 0.00 0.00 55.73 53.69 3kp1 s ARG 29 Cb 0.15 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.90 3kp1 s ARG 29 CO 0.78 -0.61 -0.07 1.03 -1.08 0.00 0.00 175.30 175.35 3kp1 s ARG 30 N -3.80 0.69 0.00 3.89 0.52 -1.26 -4.77 118.95 114.22 3kp1 s ARG 30 Ca 0.30 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3kp1 s ARG 30 Cb 0.02 -0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.21 3kp1 s ARG 30 CO 0.13 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3kp1 n GLY 31 N 0.72 0.28 3.79 -3.53 0.00 -1.24 -4.98 105.19 100.23 3kp1 n GLY 31 Ca -0.18 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.66 3.53 -0.09 1.61 -0.11 -0.79 -4.74 118.94 115.69 3kp1 s TRP 32 Ca 0.00 1.72 0.04 0.00 1.22 0.00 0.00 56.10 59.08 3kp1 s TRP 32 Cb 0.00 -2.95 0.00 0.00 -1.50 0.00 0.00 33.47 29.02 3kp1 s TRP 32 CO 0.00 -0.03 -0.22 0.95 -4.62 0.00 0.00 176.95 173.04 3kp1 s THR 33 N -1.74 1.88 0.51 5.86 -4.23 -1.26 -5.02 115.64 111.64 3kp1 s THR 33 Ca 0.54 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 3kp1 s THR 33 Cb -0.17 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 3kp1 s THR 33 CO 0.22 0.52 0.79 0.26 -0.54 0.00 0.00 174.62 175.88 3kp1 s TRP 34 N 0.34 3.39 0.48 3.99 0.52 -1.26 -4.89 118.94 121.50 3kp1 s TRP 34 Ca -0.16 0.62 -0.19 0.00 0.02 0.00 0.00 56.10 56.38 3kp1 s TRP 34 Cb -0.17 -2.43 -0.09 0.00 -1.15 0.00 0.00 33.47 29.62 3kp1 s TRP 34 CO 0.07 -0.46 0.99 1.03 0.02 0.00 0.00 176.95 178.60 3kp1 s ARG 35 N -4.77 3.98 -0.28 4.98 0.52 -1.26 -5.03 118.95 117.09 3kp1 s ARG 35 Ca 0.49 1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 56.70 3kp1 s ARG 35 Cb -0.10 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3kp1 s ARG 35 CO 0.43 -0.25 0.45 -0.65 0.02 0.00 0.00 175.30 175.30 3kp1 s GLN 36 N -3.45 3.98 0.39 3.54 -1.52 -1.26 -5.03 119.66 116.32 3kp1 s GLN 36 Ca 0.63 0.12 -0.27 0.00 -1.95 0.00 0.00 55.36 53.89 3kp1 s GLN 36 Cb -0.12 -3.67 -0.09 0.00 -0.22 0.00 0.00 33.01 28.90 3kp1 s GLN 36 CO 0.20 -0.35 1.36 -2.14 -0.25 0.00 0.00 175.29 174.11 3kp1 s PRO 37 N 2.20 4.03 -0.46 2.91 0.02 -1.26 -1.40 135.00 141.04 3kp1 s PRO 37 Ca 0.18 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3kp1 s PRO 37 Cb -0.16 -2.85 0.12 0.00 0.02 0.00 0.00 34.50 31.64 3kp1 s PRO 37 CO 0.10 -0.49 0.23 0.00 -0.33 0.00 0.00 177.00 176.51 3kp1 s ALA 38 N -1.20 3.22 0.29 -1.55 0.00 -0.01 -4.73 121.76 117.78 3kp1 s ALA 38 Ca 0.55 -2.88 -0.30 0.00 0.00 0.00 0.00 51.96 49.33 3kp1 s ALA 38 Cb -0.41 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.31 3kp1 s ALA 38 CO 0.54 -1.89 1.57 -1.21 0.00 0.00 0.00 175.76 174.77 3kp1 s GLU 39 N 0.46 4.14 -1.57 0.00 0.41 -1.26 -3.05 118.70 117.82 3kp1 s GLU 39 Ca 0.13 2.54 -0.06 0.00 -0.41 0.00 0.00 54.97 57.18 3kp1 s GLU 39 Cb -0.22 -3.03 0.05 0.00 -1.78 0.00 0.00 34.13 29.15 3kp1 s GLU 39 CO -0.04 -0.60 0.29 0.09 -0.49 0.00 0.00 175.26 174.51 3kp1 n ASN 40 N 2.15 -0.28 -4.69 -0.19 3.02 -1.15 -4.83 115.26 109.28 3kp1 n ASN 40 Ca 0.08 -1.17 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 3kp1 n ASN 40 Cb 0.38 -2.14 -0.03 0.00 -0.61 0.00 0.00 39.78 37.38 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 -7.24 4.33 -0.19 3.41 2.96 -1.03 -4.73 118.68 116.20 3kp1 s LEU 41 Ca 0.20 2.20 -0.20 0.00 -0.22 0.00 0.00 54.13 56.12 3kp1 s LEU 41 Cb -0.12 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3kp1 s LEU 41 CO 0.96 -0.75 0.58 -1.58 -1.32 0.00 0.00 176.35 174.25 3kp1 s GLN 42 N 2.38 4.22 -0.08 1.98 2.00 -1.26 -0.66 119.66 128.24 3kp1 s GLN 42 Ca 0.66 0.55 -0.01 0.00 -2.00 0.00 0.00 55.36 54.56 3kp1 s GLN 42 Cb -0.33 -3.56 0.03 0.00 0.80 0.00 0.00 33.01 29.94 3kp1 s GLN 42 CO 0.28 -0.18 -0.04 -1.64 -0.50 0.00 0.00 175.29 173.22 3kp1 s MET 43 N 1.71 0.98 4.37 1.67 -1.94 0.10 -5.01 119.30 121.18 3kp1 s MET 43 Ca 0.27 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 3kp1 s MET 43 Cb -0.16 -1.17 0.00 0.00 2.01 0.00 0.00 34.83 35.52 3kp1 s MET 43 CO 0.10 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 3kp1 n GLY 44 N 4.85 2.96 0.00 -0.03 0.00 -1.26 -1.79 105.19 109.91 3kp1 n GLY 44 Ca -0.12 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.07 -4.37 1.61 -0.02 -1.26 -4.90 135.00 140.14 3kp1 n PRO 45 Ca 0.00 0.09 -0.27 0.00 -2.02 0.00 0.00 63.50 61.30 3kp1 n PRO 45 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.91 2.44 -0.07 6.00 0.08 -0.74 -5.13 117.98 117.65 3kp1 s PHE 46 Ca 0.14 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3kp1 s PHE 46 Cb 0.16 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.38 3kp1 s PHE 46 CO 0.42 0.52 -0.03 0.42 -0.10 0.00 0.00 175.22 176.45 3kp1 s ILE 47 N -1.75 4.06 -0.02 0.64 1.01 -1.26 -0.72 121.20 123.15 3kp1 s ILE 47 Ca 0.23 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3kp1 s ILE 47 Cb -0.08 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3kp1 s ILE 47 CO 0.12 0.59 -0.16 -0.31 0.00 0.00 0.00 174.94 175.19 3kp1 s TYR 48 N -0.86 2.63 -0.08 3.97 2.02 0.16 -4.96 117.35 120.22 3kp1 s TYR 48 Ca 0.13 -0.21 0.21 0.00 -0.37 0.00 0.00 57.07 56.83 3kp1 s TYR 48 Cb -0.11 -1.58 -0.31 0.00 -0.40 0.00 0.00 41.96 39.56 3kp1 s TYR 48 CO 0.02 0.18 0.35 1.63 -1.57 0.00 0.00 175.55 176.16 3kp1 n LYS 49 N 2.13 0.67 -1.78 -0.62 4.01 -1.26 -2.45 118.16 118.85 3kp1 n LYS 49 Ca -0.17 -0.14 -0.07 0.00 -0.51 0.00 0.00 58.31 57.42 3kp1 n LYS 49 Cb 0.52 -1.52 0.07 0.00 -0.51 0.00 0.00 35.03 33.60 3kp1 n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kp1 n ASP 50 N -2.41 2.83 -4.93 4.39 8.00 -1.26 -4.67 116.55 118.50 3kp1 n ASP 50 Ca -0.13 -3.15 -0.28 0.00 0.71 0.00 0.00 54.79 51.94 3kp1 n ASP 50 Cb 0.76 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -3.05 3.91 0.56 2.24 0.00 -1.26 -3.30 121.76 120.86 3kp1 s ALA 51 Ca 0.40 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3kp1 s ALA 51 Cb 0.38 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.65 3kp1 s ALA 51 CO -0.03 0.54 0.46 -1.13 0.00 0.00 0.00 175.76 175.59 3kp1 n SER 52 N -0.44 2.73 -4.67 0.00 3.41 0.17 -0.83 113.62 113.99 3kp1 n SER 52 Ca -0.05 -2.89 -0.46 0.00 -0.26 0.00 0.00 58.87 55.21 3kp1 n SER 52 Cb 0.53 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.85 0.03 -1.64 6.66 -1.04 -0.49 -4.45 114.28 111.49 3kp1 n THR 53 Ca -0.00 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 3kp1 n THR 53 Cb 0.63 -1.52 0.07 0.00 -1.82 0.00 0.00 70.33 67.70 3kp1 n THR 53 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kp1 n PRO 54 N 3.35 0.96 -2.28 -2.82 -0.02 -1.26 -4.80 135.00 128.13 3kp1 n PRO 54 Ca 0.17 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3kp1 n PRO 54 Cb 0.29 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 3kp1 n PRO 54 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kp1 s LEU 55 N -3.92 3.63 0.07 2.45 1.43 -1.26 -4.99 118.68 116.08 3kp1 s LEU 55 Ca 0.80 1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.63 3kp1 s LEU 55 Cb -0.38 -4.53 -0.29 0.00 0.03 0.00 0.00 46.19 41.01 3kp1 s LEU 55 CO 0.43 -0.91 1.11 -0.33 0.23 0.00 0.00 176.35 176.88 3kp1 h GLU 56 N 0.88 0.30 -4.08 1.70 5.08 -0.93 -3.44 114.58 114.10 3kp1 h GLU 56 Ca -0.48 -0.52 -0.43 0.00 -1.00 0.00 0.00 59.36 56.93 3kp1 h GLU 56 Cb 1.21 0.19 -0.34 0.00 0.50 0.00 0.00 28.75 30.31 3kp1 h GLU 56 CO 0.59 1.24 -0.78 -0.80 -1.00 0.00 0.00 179.01 178.26 3kp1 s ASN 57 N -7.19 1.18 0.15 1.42 0.01 -1.01 -5.00 114.94 104.50 3kp1 s ASN 57 Ca -0.05 -0.16 -0.24 0.00 -0.71 0.00 0.00 52.86 51.70 3kp1 s ASN 57 Cb 0.07 -0.52 0.07 0.00 0.41 0.00 0.00 41.25 41.27 3kp1 s ASN 57 CO 0.89 -0.06 0.72 -0.94 -1.51 0.00 0.00 177.10 176.20 3kp1 s SER 58 N 1.01 -0.43 -0.32 -1.22 1.04 -1.26 -4.56 113.70 107.96 3kp1 s SER 58 Ca -0.09 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 3kp1 s SER 58 Cb -0.14 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3kp1 s SER 58 CO -0.00 -0.97 0.15 -0.69 0.98 0.00 0.00 173.24 172.70 3kp1 s VAL 59 N -3.61 4.46 0.78 5.02 1.01 -0.10 -5.02 120.40 122.93 3kp1 s VAL 59 Ca 0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3kp1 s VAL 59 Cb -0.02 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 33.10 3kp1 s VAL 59 CO -0.07 0.02 1.09 0.00 0.00 0.00 0.00 175.10 176.14 3kp1 s ALA 60 N 1.58 2.32 0.56 5.51 0.00 -1.26 -4.65 121.76 125.81 3kp1 s ALA 60 Ca 0.04 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 3kp1 s ALA 60 Cb -0.17 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3kp1 s ALA 60 CO 0.05 -1.64 1.30 1.28 0.00 0.00 0.00 175.76 176.75 3kp1 n LEU 61 N -3.39 5.26 -0.23 0.00 4.77 -1.26 -4.89 117.00 117.26 3kp1 n LEU 61 Ca 0.07 0.95 0.04 0.00 -0.03 0.00 0.00 56.01 57.04 3kp1 n LEU 61 Cb 0.55 -1.55 0.15 0.00 -2.33 0.00 0.00 43.42 40.25 3kp1 n LEU 61 CO 0.56 -0.79 0.92 -0.65 -1.33 0.00 0.00 177.39 176.10 3kp1 h PRO 62 N 1.25 0.26 0.00 3.23 0.11 -2.00 0.53 132.00 135.38 3kp1 h PRO 62 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kp1 h PRO 62 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kp1 h PRO 62 CO 0.56 0.17 0.00 0.43 -0.21 0.00 0.00 178.00 178.95 3kp1 n SER 63 N -5.15 0.00 0.29 -2.05 7.64 -1.26 -2.81 113.62 110.28 3kp1 n SER 63 Ca 0.12 -0.86 0.18 0.00 1.01 0.00 0.00 58.87 59.31 3kp1 n SER 63 Cb 0.40 0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.48 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 3.29 1.07 -0.00 -0.43 0.00 -1.21 -2.80 119.26 119.18 3kp1 h ALA 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kp1 h ALA 64 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kp1 h ALA 64 CO 0.00 0.04 0.00 1.57 0.00 0.00 0.00 179.25 180.87 3kp1 h LYS 65 N 0.00 0.00 0.00 0.00 2.10 -1.70 0.28 116.57 117.26 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 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3kp1 h LYS 65 CO 0.00 0.00 0.00 1.88 -2.00 0.00 0.00 179.45 179.33 3kp1 h TYR 66 N 0.00 0.00 -0.74 0.07 0.05 -1.77 -3.34 116.97 111.24 3kp1 h TYR 66 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 3kp1 h TYR 66 Cb 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 37.33 3kp1 h TYR 66 CO 0.00 0.00 -0.91 1.19 -1.05 0.00 0.00 178.16 177.39 3kp1 n PHE 67 N -2.44 2.33 -1.88 4.88 3.72 -0.06 -4.95 117.46 119.06 3kp1 n PHE 67 Ca 0.05 -2.30 -0.11 0.00 -0.05 0.00 0.00 57.45 55.04 3kp1 n PHE 67 Cb 0.42 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.63 0.41 3.43 1.37 0.00 -1.17 -3.65 105.19 104.94 3kp1 n GLY 68 Ca 0.32 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 -4.29 -4.76 1.61 8.00 0.80 -4.95 116.55 112.91 3kp1 n ASP 69 Ca -0.13 -0.46 -0.35 0.00 0.71 0.00 0.00 54.79 54.56 3kp1 n ASP 69 Cb 0.52 -3.51 0.02 0.00 -0.02 0.00 0.00 41.12 38.13 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 -3.05 2.96 -0.47 0.53 -4.36 -1.24 -4.85 121.20 110.72 3kp1 s ILE 70 Ca 0.44 0.58 0.07 0.00 -0.26 0.00 0.00 60.65 61.48 3kp1 s ILE 70 Cb -0.23 -3.20 0.25 0.00 1.25 0.00 0.00 42.46 40.53 3kp1 s ILE 70 CO 0.55 -0.15 0.59 -0.67 0.24 0.00 0.00 174.94 175.49 3kp1 n ASP 71 N -1.58 1.33 -4.73 4.36 2.03 -1.26 -4.67 116.55 112.04 3kp1 n ASP 71 Ca 0.12 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 52.08 3kp1 n ASP 71 Cb 0.51 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 3kp1 n ASP 71 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3kp1 n PRO 72 N 1.27 2.51 -4.50 -0.67 -0.02 -1.26 -4.68 135.00 127.65 3kp1 n PRO 72 Ca 0.24 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 62.28 3kp1 n PRO 72 Cb 0.49 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 3kp1 n PRO 72 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kp1 s GLN 73 N -0.92 3.58 1.04 -0.52 -1.52 -1.26 -4.98 119.66 115.07 3kp1 s GLN 73 Ca 0.62 -0.57 -0.16 0.00 -1.95 0.00 0.00 55.36 53.30 3kp1 s GLN 73 Cb -0.53 -2.83 0.21 0.00 -0.22 0.00 0.00 33.01 29.64 3kp1 s GLN 73 CO 0.53 0.22 1.17 -1.25 -0.25 0.00 0.00 175.29 175.71 3kp1 s PRO 74 N 0.39 0.07 0.07 2.91 0.04 -1.26 0.46 135.00 137.68 3kp1 s PRO 74 Ca -0.06 0.00 -0.15 0.00 0.04 0.00 0.00 61.00 60.83 3kp1 s PRO 74 Cb -0.15 -1.74 -0.18 0.00 0.04 0.00 0.00 34.50 32.47 3kp1 s PRO 74 CO 0.04 -2.87 1.24 -0.07 0.04 0.00 0.00 177.00 175.39 3kp1 h LEU 75 N -1.97 0.80 -9.94 -3.56 3.38 -1.87 -3.35 115.31 98.79 3kp1 h LEU 75 Ca -0.47 -0.66 -0.48 0.00 0.09 0.00 0.00 57.88 56.35 3kp1 h LEU 75 Cb 1.29 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.82 3kp1 h LEU 75 CO 0.46 1.34 0.41 -2.84 0.09 0.00 0.00 178.44 177.89 3kp1 s PRO 76 N -3.62 4.24 0.30 1.13 0.02 -1.26 -4.54 135.00 131.27 3kp1 s PRO 76 Ca -0.11 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.13 3kp1 s PRO 76 Cb 0.07 -2.61 -0.12 0.00 0.02 0.00 0.00 34.50 31.85 3kp1 s PRO 76 CO 0.87 -0.08 1.44 0.28 -0.33 0.00 0.00 177.00 179.19 3kp1 n VAL 77 N 0.08 1.36 -4.16 3.83 0.31 -0.88 -4.74 118.33 114.13 3kp1 n VAL 77 Ca 0.04 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 63.69 3kp1 n VAL 77 Cb 0.49 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.43 3.30 -0.02 2.52 -1.09 -1.26 -0.32 121.20 123.89 3kp1 s ILE 78 Ca 0.62 -0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 58.44 3kp1 s ILE 78 Cb -0.56 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 3kp1 s ILE 78 CO 0.54 0.46 0.23 -0.89 -1.23 0.00 0.00 174.94 174.05 3kp1 s THR 79 N 1.11 5.36 0.02 2.92 2.01 -0.84 -2.09 115.64 124.13 3kp1 s THR 79 Ca 0.01 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.20 3kp1 s THR 79 Cb -0.15 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 3kp1 s THR 79 CO -0.01 0.42 -0.14 0.28 -0.69 0.00 0.00 174.62 174.47 3kp1 s THR 80 N -1.24 1.11 -0.27 -0.82 -1.32 -0.55 -2.65 115.64 109.89 3kp1 s THR 80 Ca 0.25 -0.85 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 3kp1 s THR 80 Cb -0.13 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 3kp1 s THR 80 CO 0.14 0.11 0.28 -1.61 -2.21 0.00 0.00 174.62 171.33 3kp1 s GLU 81 N -0.85 4.01 -0.22 7.08 2.02 -1.26 -1.24 118.70 128.24 3kp1 s GLU 81 Ca 0.03 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 3kp1 s GLU 81 Cb -0.07 -3.64 0.06 0.00 0.10 0.00 0.00 34.13 30.59 3kp1 s GLU 81 CO 0.01 -0.18 0.01 0.42 0.02 0.00 0.00 175.26 175.53 3kp1 s ILE 82 N 1.78 0.88 -0.43 -1.63 1.01 -0.42 -4.96 121.20 117.44 3kp1 s ILE 82 Ca 0.11 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3kp1 s ILE 82 Cb -0.16 -1.33 0.19 0.00 0.01 0.00 0.00 42.46 41.17 3kp1 s ILE 82 CO 0.10 -0.21 0.73 0.00 0.00 0.00 0.00 174.94 175.56 3kp1 s ALA 83 N 1.69 -2.65 -0.93 9.38 0.00 -1.26 -4.45 121.76 123.53 3kp1 s ALA 83 Ca -0.02 0.18 0.25 0.00 0.00 0.00 0.00 51.96 52.37 3kp1 s ALA 83 Cb -0.18 -2.78 0.43 0.00 0.00 0.00 0.00 23.12 20.59 3kp1 s ALA 83 CO -0.08 -2.27 1.36 -1.13 0.00 0.00 0.00 175.76 173.63 3kp1 n SER 84 N 3.82 0.55 0.00 0.00 3.41 -1.26 -4.00 113.62 116.13 3kp1 n SER 84 Ca 0.12 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3kp1 n SER 84 Cb 0.58 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 1.47 2.36 2.81 5.00 0.00 -1.21 -4.70 105.19 110.93 3kp1 n GLY 85 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 1.01 0.56 1.61 0.52 -1.26 -1.22 118.95 119.36 3kp1 s ARG 86 Ca 0.00 -1.44 0.30 0.00 -0.52 0.00 0.00 55.73 54.07 3kp1 s ARG 86 Cb 0.00 -2.38 1.67 0.00 0.52 0.00 0.00 34.95 34.76 3kp1 s ARG 86 CO 0.00 -1.00 2.16 0.27 0.02 0.00 0.00 175.30 176.75 3kp1 h PHE 87 N 7.75 0.00 -0.00 -0.53 -5.15 -1.95 -2.37 116.94 114.70 3kp1 h PHE 87 Ca -0.09 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.56 3kp1 h PHE 87 Cb 1.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.16 3kp1 h PHE 87 CO 0.40 0.06 -0.53 1.05 -2.00 0.00 0.00 178.31 177.30 3kp1 h GLU 88 N 0.00 0.01 0.19 6.09 9.09 -2.00 -2.10 114.58 125.86 3kp1 h GLU 88 Ca -0.00 -0.01 -0.31 0.00 0.05 0.00 0.00 59.36 59.09 3kp1 h GLU 88 Cb 0.20 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.33 3kp1 h GLU 88 CO 0.01 0.54 -1.37 -0.44 0.05 0.00 0.00 179.01 177.80 3kp1 h ASP 89 N 0.01 0.78 -0.14 3.06 3.32 -1.76 -3.33 116.42 118.36 3kp1 h ASP 89 Ca -0.00 -0.80 0.04 0.00 0.02 0.00 0.00 57.03 56.29 3kp1 h ASP 89 Cb 0.94 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3kp1 h ASP 89 CO 0.07 1.62 0.11 0.44 -1.72 0.00 0.00 179.24 179.76 3kp1 h ASP 90 N 0.18 0.00 -0.66 6.45 3.32 -1.19 -1.83 116.42 122.68 3kp1 h ASP 90 Ca -0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3kp1 h ASP 90 Cb 2.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.57 3kp1 h ASP 90 CO 0.25 0.00 0.30 0.40 -1.72 0.00 0.00 179.24 178.48 3kp1 h ILE 91 N 0.00 1.23 -0.43 0.35 2.04 -1.51 0.28 117.51 119.47 3kp1 h ILE 91 Ca 0.07 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3kp1 h ILE 91 Cb 0.29 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3kp1 h ILE 91 CO -0.00 0.28 0.15 0.03 0.00 0.00 0.00 178.15 178.61 3kp1 h ARG 92 N 0.98 0.66 -0.17 2.37 3.08 -1.52 -2.50 114.38 117.28 3kp1 h ARG 92 Ca 0.24 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3kp1 h ARG 92 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3kp1 h ARG 92 CO -0.03 0.63 -0.22 -0.09 -1.07 0.00 0.00 179.97 179.19 3kp1 h ARG 93 N 0.55 0.29 -0.86 0.04 2.43 -1.44 -1.98 114.38 113.41 3kp1 h ARG 93 Ca 0.14 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3kp1 h ARG 93 Cb 0.23 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3kp1 h ARG 93 CO -0.01 0.51 0.56 0.52 -1.51 0.00 0.00 179.97 180.04 3kp1 h MET 94 N 0.27 1.04 -0.33 0.20 2.86 -0.59 -0.99 114.93 117.40 3kp1 h MET 94 Ca 0.05 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3kp1 h MET 94 Cb 0.54 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3kp1 h MET 94 CO 0.04 0.69 0.13 -0.09 1.06 0.00 0.00 176.91 178.74 3kp1 h ARG 95 N 1.07 0.49 -0.65 1.72 2.43 -0.95 -1.23 114.38 117.27 3kp1 h ARG 95 Ca 0.35 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 3kp1 h ARG 95 Cb 0.02 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3kp1 h ARG 95 CO -0.12 0.50 0.37 0.52 -1.51 0.00 0.00 179.97 179.73 3kp1 h MET 96 N 0.38 0.68 -0.44 0.20 2.86 -1.03 -2.69 114.93 114.90 3kp1 h MET 96 Ca 0.11 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3kp1 h MET 96 Cb 0.19 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3kp1 h MET 96 CO -0.01 0.45 -0.13 0.00 1.06 0.00 0.00 176.91 178.28 3kp1 h ALA 97 N 1.32 0.93 -0.60 6.32 0.00 -0.99 -2.51 119.26 123.73 3kp1 h ALA 97 Ca 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kp1 h ALA 97 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kp1 h ALA 97 CO -0.15 0.62 0.27 0.00 0.00 0.00 0.00 179.25 179.99 3kp1 h ALA 98 N 1.11 0.78 0.00 0.00 0.00 -1.02 -1.38 119.26 118.75 3kp1 h ALA 98 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kp1 h ALA 98 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kp1 h ALA 98 CO 0.04 0.36 -0.17 -1.49 0.00 0.00 0.00 179.25 177.99 3kp1 h TRP 99 N 0.83 0.00 -0.27 0.00 4.06 -1.21 -0.92 115.95 118.43 3kp1 h TRP 99 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 3kp1 h TRP 99 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3kp1 h TRP 99 CO 0.00 0.17 0.00 0.72 -3.56 0.00 0.00 178.44 175.78 3kp1 n HIS 100 N -4.12 0.36 0.00 0.49 8.25 -0.89 -0.92 115.22 118.39 3kp1 n HIS 100 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3kp1 n HIS 100 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 1.10 0.73 3.68 -1.41 0.00 -0.35 -4.53 105.19 104.41 3kp1 n GLY 101 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 3.59 -0.18 4.61 0.00 -0.58 -4.70 121.76 122.49 3kp1 s ALA 102 Ca 0.00 0.76 0.15 0.00 0.00 0.00 0.00 51.96 52.87 3kp1 s ALA 102 Cb 0.00 -3.61 0.40 0.00 0.00 0.00 0.00 23.12 19.92 3kp1 s ALA 102 CO 0.00 -1.00 1.27 -0.40 0.00 0.00 0.00 175.76 175.63 3kp1 n ASP 103 N 5.80 2.56 -3.49 0.00 5.75 -0.89 -4.23 116.55 122.05 3kp1 n ASP 103 Ca 0.13 -3.36 -0.15 0.00 -0.01 0.00 0.00 54.79 51.41 3kp1 n ASP 103 Cb 0.44 -0.51 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 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 -3.00 -0.46 -0.26 2.11 5.04 -0.96 -0.63 115.29 117.12 3kp1 s HIS 104 Ca 0.37 0.55 -0.06 0.00 -1.54 0.00 0.00 55.06 54.39 3kp1 s HIS 104 Cb 0.33 -0.18 -0.00 0.00 0.04 0.00 0.00 32.58 32.77 3kp1 s HIS 104 CO 0.02 -0.58 0.03 0.42 -2.34 0.00 0.00 174.74 172.28 3kp1 s ILE 105 N 2.41 3.79 -0.19 0.89 -1.09 0.13 -1.48 121.20 125.65 3kp1 s ILE 105 Ca 0.07 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.88 3kp1 s ILE 105 Cb -0.15 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3kp1 s ILE 105 CO -0.12 0.24 -0.00 -0.32 -1.23 0.00 0.00 174.94 173.50 3kp1 s MET 106 N 1.50 3.65 -0.37 2.79 1.75 -0.38 -1.52 119.30 126.73 3kp1 s MET 106 Ca 0.04 -0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 53.91 3kp1 s MET 106 Cb -0.16 -3.06 0.07 0.00 2.84 0.00 0.00 34.83 34.52 3kp1 s MET 106 CO 0.01 0.08 0.17 0.08 -0.65 0.00 0.00 175.02 174.70 3kp1 s VAL 107 N 0.83 3.79 0.20 10.11 1.01 0.04 -1.30 120.40 135.08 3kp1 s VAL 107 Ca 0.01 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 3kp1 s VAL 107 Cb -0.14 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 3kp1 s VAL 107 CO 0.02 -0.37 1.33 -0.63 0.00 0.00 0.00 175.10 175.45 3kp1 s ILE 108 N 1.35 3.15 0.60 2.22 1.01 -1.26 -4.43 121.20 123.84 3kp1 s ILE 108 Ca 0.01 0.94 -0.14 0.00 0.00 0.00 0.00 60.65 61.46 3kp1 s ILE 108 Cb -0.21 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3kp1 s ILE 108 CO 0.01 0.14 1.03 -0.13 0.00 0.00 0.00 174.94 175.99 3kp1 s ARG 109 N -0.04 3.45 0.51 2.79 0.52 -1.26 -0.97 118.95 123.95 3kp1 s ARG 109 Ca 0.58 1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 56.58 3kp1 s ARG 109 Cb -0.37 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 32.96 3kp1 s ARG 109 CO 0.38 -0.69 1.04 -2.37 0.02 0.00 0.00 175.30 173.68 3kp1 n THR 110 N -2.26 3.06 -1.68 0.02 5.66 -0.38 -4.05 114.28 114.64 3kp1 n THR 110 Ca 0.07 -0.50 -0.45 0.00 -3.05 0.00 0.00 64.05 60.13 3kp1 n THR 110 Cb 0.53 -1.23 -0.04 0.00 -1.55 0.00 0.00 70.33 68.05 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 -1.03 1.71 -0.95 1.79 0.00 -0.02 -2.18 120.51 119.83 3kp1 n ALA 111 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3kp1 n ALA 111 Cb 0.43 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 3.88 0.51 0.39 0.00 0.00 -1.26 -4.93 105.19 103.78 3kp1 n GLY 112 Ca 0.18 -0.16 0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 0.97 0.01 -0.94 1.61 4.15 -1.78 0.88 115.11 120.02 3kp1 h GLN 113 Ca 0.00 -0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.69 3kp1 h GLN 113 Cb 0.00 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3kp1 h GLN 113 CO 0.00 0.01 0.86 0.77 -1.93 0.00 0.00 178.83 178.54 3kp1 h SER 114 N 0.01 0.00 0.73 -0.69 0.02 -1.87 -0.41 113.55 111.34 3kp1 h SER 114 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3kp1 h SER 114 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kp1 h SER 114 CO -0.01 0.00 -0.50 1.41 -1.14 0.00 0.00 176.83 176.60 3kp1 n HIS 115 N -3.74 0.27 -2.02 3.45 8.25 0.30 -0.80 115.22 120.92 3kp1 n HIS 115 Ca 0.20 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.31 3kp1 n HIS 115 Cb 1.17 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.78 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 -3.08 1.91 -1.53 4.41 2.02 -0.17 -4.88 117.35 116.04 3kp1 s TYR 116 Ca 0.09 0.48 -0.09 0.00 -0.37 0.00 0.00 57.07 57.18 3kp1 s TYR 116 Cb 0.16 -4.03 -0.05 0.00 -0.40 0.00 0.00 41.96 37.64 3kp1 s TYR 116 CO 0.69 -3.23 2.86 -3.47 -1.57 0.00 0.00 175.55 170.83 3kp1 n ASP 117 N 8.98 8.56 0.00 2.29 2.03 -1.26 -4.21 116.55 132.94 3kp1 n ASP 117 Ca 0.21 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.82 3kp1 n ASP 117 Cb 0.45 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 3.16 2.75 3.76 0.27 0.00 -1.26 -4.98 105.19 108.89 3kp1 n GLY 118 Ca 0.75 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 3.65 0.38 0.99 1.43 -1.26 -4.96 118.68 118.91 3kp1 s LEU 119 Ca 0.00 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.43 3kp1 s LEU 119 Cb 0.00 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 3kp1 s LEU 119 CO 0.00 -1.49 0.37 0.27 0.23 0.00 0.00 176.35 175.73 3kp1 s ILE 120 N -1.77 3.05 0.14 -0.59 -4.36 -1.26 -5.15 121.20 111.26 3kp1 s ILE 120 Ca 0.74 -1.31 0.05 0.00 -0.26 0.00 0.00 60.65 59.87 3kp1 s ILE 120 Cb -0.27 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 3kp1 s ILE 120 CO 0.32 -0.07 -0.11 -1.61 0.24 0.00 0.00 174.94 173.71 3kp1 s GLU 121 N -4.10 1.04 1.32 0.37 0.41 -1.26 -4.36 118.70 112.12 3kp1 s GLU 121 Ca 0.46 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 3kp1 s GLU 121 Cb -0.05 -0.72 0.00 0.00 -1.78 0.00 0.00 34.13 31.58 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 0.07 -1.39 2.37 -1.39 0.00 -1.23 -4.62 105.19 99.00 3kp1 n GLY 122 Ca -0.12 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.17 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 0.50 -1.62 2.61 -2.24 -1.26 -4.38 114.28 107.89 3kp1 n THR 123 Ca 0.00 -4.44 -0.34 0.00 -2.27 0.00 0.00 64.05 57.00 3kp1 n THR 123 Cb 0.00 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.71 2.49 0.33 -0.78 0.04 -1.25 -3.19 135.00 129.92 3kp1 s PRO 124 Ca 0.39 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 3kp1 s PRO 124 Cb 0.36 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.91 3kp1 s PRO 124 CO -0.07 -1.53 1.35 -1.14 0.04 0.00 0.00 177.00 175.64 3kp1 s GLN 125 N -3.95 4.31 0.42 4.56 2.00 -1.26 -4.61 119.66 121.13 3kp1 s GLN 125 Ca 0.71 2.28 0.06 0.00 -2.00 0.00 0.00 55.36 56.41 3kp1 s GLN 125 Cb -0.25 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.51 3kp1 s GLN 125 CO 0.43 -0.26 0.59 0.20 -0.50 0.00 0.00 175.29 175.74 3kp1 s GLY 126 N -0.36 1.84 -0.15 2.59 0.00 -0.36 -4.90 107.32 105.98 3kp1 s GLY 126 Ca 0.50 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 3kp1 s GLY 126 CO 0.54 -1.37 -0.05 -0.42 0.00 0.00 0.00 173.10 171.80 3kp1 s ILE 127 N -2.39 1.01 -0.64 0.90 1.01 -1.26 -4.70 121.20 115.12 3kp1 s ILE 127 Ca 0.53 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3kp1 s ILE 127 Cb -0.10 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.19 3kp1 s ILE 127 CO 0.34 0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3kp1 n GLY 128 N 4.92 0.79 0.00 6.18 0.00 -1.26 -0.84 105.19 114.97 3kp1 n GLY 128 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.37 -2.24 3.71 -0.02 0.00 -1.26 -4.60 105.19 99.42 3kp1 n GLY 129 Ca -0.06 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.09 5.13 -0.12 1.61 1.01 -0.14 -3.32 120.40 122.48 3kp1 s VAL 130 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3kp1 s VAL 130 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3kp1 s VAL 130 CO 0.00 0.49 1.48 -2.84 0.00 0.00 0.00 175.10 174.23 3kp1 s PRO 131 N 0.07 4.17 -0.26 2.72 0.02 -1.26 -1.25 135.00 139.20 3kp1 s PRO 131 Ca 0.07 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.71 3kp1 s PRO 131 Cb -0.12 -3.89 0.01 0.00 0.02 0.00 0.00 34.50 30.52 3kp1 s PRO 131 CO -0.00 -0.83 1.07 0.42 -0.33 0.00 0.00 177.00 177.33 3kp1 s ILE 132 N 3.91 4.58 0.17 2.83 -1.09 -1.26 -4.89 121.20 125.44 3kp1 s ILE 132 Ca 0.65 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.95 3kp1 s ILE 132 Cb -0.27 -4.33 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 3kp1 s ILE 132 CO 0.23 -0.30 0.05 0.42 -1.23 0.00 0.00 174.94 174.12 3kp1 s THR 133 N 3.41 0.31 0.25 2.92 -4.23 -1.26 -4.52 115.64 112.52 3kp1 s THR 133 Ca 0.45 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3kp1 s THR 133 Cb -0.14 -2.19 0.25 0.00 1.34 0.00 0.00 72.50 71.76 3kp1 s THR 133 CO 0.10 -0.36 1.89 -0.09 -0.54 0.00 0.00 174.62 175.63 3kp1 h ARG 134 N 2.73 1.15 -0.28 3.99 2.43 -1.89 0.41 114.38 122.92 3kp1 h ARG 134 Ca -0.36 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.66 3kp1 h ARG 134 Cb 1.21 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3kp1 h ARG 134 CO 0.60 0.76 -0.13 -0.22 -1.51 0.00 0.00 179.97 179.46 3kp1 h LYS 135 N 1.18 0.58 -0.51 0.20 3.64 -1.83 -1.16 116.57 118.68 3kp1 h LYS 135 Ca 0.40 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3kp1 h LYS 135 Cb 0.07 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3kp1 h LYS 135 CO -0.14 0.82 -0.18 0.37 -2.27 0.00 0.00 179.45 178.05 3kp1 h GLN 136 N 0.33 1.02 -0.33 1.90 -0.00 -1.71 -1.61 115.11 114.71 3kp1 h GLN 136 Ca 0.06 -0.42 0.01 0.00 -0.00 0.00 0.00 58.65 58.30 3kp1 h GLN 136 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 3kp1 h GLN 136 CO 0.04 1.10 0.21 0.28 0.00 0.00 0.00 178.83 180.47 3kp1 h VAL 137 N 0.89 1.07 -0.33 2.39 2.07 -0.87 -1.39 116.25 120.08 3kp1 h VAL 137 Ca 0.12 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kp1 h VAL 137 Cb 0.76 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kp1 h VAL 137 CO 0.06 0.08 0.19 0.03 0.02 0.00 0.00 177.57 177.96 3kp1 h ARG 138 N 0.43 0.45 -0.66 1.57 3.08 -1.09 0.59 114.38 118.76 3kp1 h ARG 138 Ca 0.12 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3kp1 h ARG 138 Cb -0.04 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 3kp1 h ARG 138 CO -0.04 0.35 0.42 0.00 -1.07 0.00 0.00 179.97 179.63 3kp1 h ALA 139 N 1.07 0.85 -0.08 0.04 0.00 -1.11 0.55 119.26 120.58 3kp1 h ALA 139 Ca 0.12 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3kp1 h ALA 139 Cb 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kp1 h ALA 139 CO -0.02 0.20 -0.90 1.96 0.00 0.00 0.00 179.25 180.49 3kp1 h GLN 140 N 0.83 0.75 -0.12 0.00 4.20 -1.02 -1.49 115.11 118.26 3kp1 h GLN 140 Ca 0.26 -0.70 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 3kp1 h GLN 140 Cb -0.02 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3kp1 h GLN 140 CO -0.09 1.29 -0.26 -0.09 -0.67 0.00 0.00 178.83 179.01 3kp1 h ARG 141 N 0.47 0.22 0.07 1.46 9.65 -0.71 -0.19 114.38 125.35 3kp1 h ARG 141 Ca -0.09 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3kp1 h ARG 141 Cb 1.54 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 3kp1 h ARG 141 CO 0.18 0.47 -0.03 -0.22 2.80 0.00 0.00 179.97 183.17 3kp1 h LYS 142 N 0.20 -0.09 -0.93 0.20 3.64 -0.81 -1.78 116.57 117.00 3kp1 h LYS 142 Ca 0.03 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3kp1 h LYS 142 Cb 0.58 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 3kp1 h LYS 142 CO 0.04 0.28 0.58 0.00 -2.27 0.00 0.00 179.45 178.08 3kp1 h ALA 143 N 0.40 1.32 0.00 5.00 0.00 -1.09 -2.64 119.26 122.26 3kp1 h ALA 143 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kp1 h ALA 143 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kp1 h ALA 143 CO 0.02 0.27 -0.41 -0.07 0.00 0.00 0.00 179.25 179.06 3kp1 h LEU 144 N 0.99 0.00 -0.66 0.00 3.38 -0.86 -0.94 115.31 117.23 3kp1 h LEU 144 Ca 0.43 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.41 3kp1 h LEU 144 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kp1 h LEU 144 CO -0.21 0.41 0.43 0.44 0.09 0.00 0.00 178.44 179.60 3kp1 h ASP 145 N 0.00 0.75 -0.28 -0.43 3.32 -0.95 0.67 116.42 119.50 3kp1 h ASP 145 Ca -0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3kp1 h ASP 145 Cb 0.81 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kp1 h ASP 145 CO 0.05 0.54 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.75 3kp1 h LEU 146 N 0.88 0.75 -0.51 1.55 3.38 -1.32 -2.92 115.31 117.12 3kp1 h LEU 146 Ca 0.24 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3kp1 h LEU 146 Cb -0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3kp1 h LEU 146 CO -0.05 1.07 0.05 0.40 0.09 0.00 0.00 178.44 179.99 3kp1 h ILE 147 N 0.44 1.26 -0.03 1.22 2.04 -1.06 -2.20 117.51 119.19 3kp1 h ILE 147 Ca 0.04 -1.01 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 3kp1 h ILE 147 Cb 0.86 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3kp1 h ILE 147 CO 0.07 0.36 -0.60 1.05 0.00 0.00 0.00 178.15 179.03 3kp1 h GLU 148 N 0.74 0.09 0.00 2.37 4.11 -0.92 -1.32 114.58 119.66 3kp1 h GLU 148 Ca 0.15 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.38 3kp1 h GLU 148 Cb 0.45 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3kp1 h GLU 148 CO 0.02 0.67 -0.63 1.05 0.07 0.00 0.00 179.01 180.18 3kp1 h GLU 149 N 0.07 0.00 -0.16 1.06 4.11 -1.47 -1.14 114.58 117.05 3kp1 h GLU 149 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 3kp1 h GLU 149 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3kp1 h GLU 149 CO 0.08 0.63 0.00 1.49 0.07 0.00 0.00 179.01 181.29 3kp1 h GLU 150 N 0.00 0.28 0.00 1.06 4.81 -0.91 -3.15 114.58 116.67 3kp1 h GLU 150 Ca -0.01 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3kp1 h GLU 150 Cb 1.30 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kp1 h GLU 150 CO 0.08 0.49 -0.01 -0.39 -0.73 0.00 0.00 179.01 178.45 3kp1 h VAL 151 N 0.03 0.03 0.00 0.32 -1.51 -1.28 -3.35 116.25 110.48 3kp1 h VAL 151 Ca 0.05 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3kp1 h VAL 151 Cb 0.36 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3kp1 h VAL 151 CO 0.01 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 3kp1 n GLY 152 N 0.91 0.97 3.62 5.19 0.00 -0.52 -0.32 105.19 115.05 3kp1 n GLY 152 Ca 0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.62 0.80 0.40 1.61 3.52 -0.69 -4.63 118.95 118.33 3kp1 s ARG 153 Ca 0.00 1.04 -0.26 0.00 -0.13 0.00 0.00 55.73 56.38 3kp1 s ARG 153 Cb 0.00 0.34 -0.10 0.00 -1.56 0.00 0.00 34.95 33.62 3kp1 s ARG 153 CO 0.00 -0.11 1.30 -2.30 -0.81 0.00 0.00 175.30 173.38 3kp1 n PRO 154 N 3.10 2.06 -4.91 5.12 -0.02 -1.26 -4.66 135.00 134.44 3kp1 n PRO 154 Ca -0.16 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 3kp1 n PRO 154 Cb 0.56 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 3kp1 n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kp1 s ILE 155 N -1.16 2.78 -0.19 4.25 1.01 -1.26 -4.88 121.20 121.75 3kp1 s ILE 155 Ca 0.59 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 3kp1 s ILE 155 Cb -0.52 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3kp1 s ILE 155 CO 0.60 0.54 0.88 0.20 0.00 0.00 0.00 174.94 177.15 3kp1 s ASN 156 N 0.30 6.98 -0.07 3.58 0.01 0.20 -4.96 114.94 120.98 3kp1 s ASN 156 Ca -0.12 1.21 -0.11 0.00 -0.71 0.00 0.00 52.86 53.13 3kp1 s ASN 156 Cb -0.16 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3kp1 s ASN 156 CO 0.06 -0.46 0.28 -0.47 -1.51 0.00 0.00 177.10 175.00 3kp1 s TYR 157 N 2.41 3.65 -0.13 2.20 5.04 -1.26 -0.69 117.35 128.57 3kp1 s TYR 157 Ca 0.39 0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 55.68 3kp1 s TYR 157 Cb -0.16 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.06 3kp1 s TYR 157 CO 0.11 0.66 0.32 -1.58 -1.34 0.00 0.00 175.55 173.72 3kp1 s HIS 158 N -0.95 -0.40 0.00 4.97 5.65 -0.57 -0.90 115.29 123.09 3kp1 s HIS 158 Ca 0.19 0.93 0.00 0.00 0.25 0.00 0.00 55.06 56.43 3kp1 s HIS 158 Cb -0.14 0.13 0.00 0.00 -1.18 0.00 0.00 32.58 31.39 3kp1 s HIS 158 CO 0.08 -0.22 0.00 0.45 -0.65 0.00 0.00 174.74 174.41 3kp1 n SER 159 N 3.45 0.00 -4.32 9.88 2.88 -1.11 -0.78 113.62 123.62 3kp1 n SER 159 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 3kp1 n SER 159 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.94 2.61 -2.32 0.66 2.02 -1.26 -1.65 117.35 116.47 3kp1 s TYR 160 Ca 0.00 -0.69 0.23 0.00 -0.37 0.00 0.00 57.07 56.24 3kp1 s TYR 160 Cb 0.00 -1.70 0.51 0.00 -0.40 0.00 0.00 41.96 40.37 3kp1 s TYR 160 CO 0.00 -0.20 1.45 0.28 -1.57 0.00 0.00 175.55 175.51 3kp1 n VAL 161 N 3.15 0.65 -1.27 0.71 0.31 0.05 -4.91 118.33 117.03 3kp1 n VAL 161 Ca -0.18 -0.81 -0.34 0.00 -0.01 0.00 0.00 64.34 63.00 3kp1 n VAL 161 Cb 0.52 0.80 0.11 0.00 -0.91 0.00 0.00 33.84 34.36 3kp1 n VAL 161 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kp1 s SER 162 N -1.33 3.92 0.00 4.52 0.01 -1.25 -3.95 113.70 115.62 3kp1 s SER 162 Ca 0.42 2.32 0.00 0.00 1.31 0.00 0.00 55.95 60.00 3kp1 s SER 162 Cb 0.24 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3kp1 s SER 162 CO 0.32 -2.45 0.00 0.61 0.41 0.00 0.00 173.24 172.13 3kp1 n GLY 163 N 0.34 -0.36 0.05 3.44 0.00 -1.26 -4.49 105.19 102.91 3kp1 n GLY 163 Ca 0.13 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 0.30 -1.92 1.61 0.24 0.02 -3.73 118.33 114.84 3kp1 n VAL 164 Ca 0.00 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.88 3kp1 n VAL 164 Cb 0.00 -0.41 0.03 0.00 -1.47 0.00 0.00 33.84 31.99 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 -1.67 5.23 -0.12 2.33 0.00 -1.26 -4.82 120.51 120.20 3kp1 n ALA 165 Ca 0.06 -3.75 -0.04 0.00 0.00 0.00 0.00 53.44 49.70 3kp1 n ALA 165 Cb 0.39 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 2.16 0.40 1.43 0.00 0.00 -1.68 -1.49 103.07 103.89 3kp1 h GLY 166 Ca 0.41 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 3kp1 h GLY 166 CO 0.89 -0.10 0.04 -2.55 0.00 0.00 0.00 176.54 174.82 3kp1 h PRO 167 N 0.11 0.71 0.08 4.80 0.11 -1.87 0.52 132.00 136.45 3kp1 h PRO 167 Ca 0.20 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3kp1 h PRO 167 Cb 0.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3kp1 h PRO 167 CO -0.33 0.69 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.67 3kp1 h ASP 168 N 0.67 -0.09 -0.71 -2.05 3.32 -1.80 -1.94 116.42 113.83 3kp1 h ASP 168 Ca 0.14 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3kp1 h ASP 168 Cb 0.36 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3kp1 h ASP 168 CO 0.01 0.04 0.22 0.40 -1.72 0.00 0.00 179.24 178.18 3kp1 h ILE 169 N -0.21 1.26 -0.44 0.35 2.04 -1.10 -2.58 117.51 116.82 3kp1 h ILE 169 Ca -0.01 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3kp1 h ILE 169 Cb 0.18 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3kp1 h ILE 169 CO 0.02 0.35 0.23 0.00 0.00 0.00 0.00 178.15 178.75 3kp1 h ALA 170 N 1.10 0.57 -0.25 1.87 0.00 -0.76 0.62 119.26 122.42 3kp1 h ALA 170 Ca 0.23 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3kp1 h ALA 170 Cb 0.32 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3kp1 h ALA 170 CO -0.01 0.12 -0.08 0.28 0.00 0.00 0.00 179.25 179.55 3kp1 h VAL 171 N 0.58 0.70 -0.66 0.00 2.07 -1.17 0.98 116.25 118.74 3kp1 h VAL 171 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 3kp1 h VAL 171 Cb 0.09 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3kp1 h VAL 171 CO -0.02 0.00 0.24 -0.03 0.02 0.00 0.00 177.57 177.77 3kp1 h MET 172 N -0.04 0.99 -0.48 1.57 -1.53 -1.07 -0.88 114.93 113.50 3kp1 h MET 172 Ca 0.13 -0.18 -0.11 0.00 -3.44 0.00 0.00 59.70 56.09 3kp1 h MET 172 Cb 0.23 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 3kp1 h MET 172 CO -0.28 0.83 -0.15 0.74 0.14 0.00 0.00 176.91 178.19 3kp1 h PHE 173 N 0.96 1.07 -0.68 1.39 -1.00 -0.38 -1.19 116.94 117.10 3kp1 h PHE 173 Ca 0.22 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 3kp1 h PHE 173 Cb 0.23 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 3kp1 h PHE 173 CO 0.02 1.03 0.21 0.00 -1.61 0.00 0.00 178.31 177.96 3kp1 h ALA 174 N 0.88 0.90 -0.59 2.45 0.00 -0.41 -1.37 119.26 121.11 3kp1 h ALA 174 Ca 0.12 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kp1 h ALA 174 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kp1 h ALA 174 CO 0.05 0.58 0.05 0.93 0.00 0.00 0.00 179.25 180.86 3kp1 h GLU 175 N 1.00 0.99 -0.47 0.00 5.08 -1.01 -3.23 114.58 116.93 3kp1 h GLU 175 Ca 0.22 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kp1 h GLU 175 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kp1 h GLU 175 CO -0.01 0.94 0.00 0.39 -1.00 0.00 0.00 179.01 179.34 3kp1 n GLU 176 N -4.20 2.34 -2.15 2.33 -0.58 -0.47 -4.80 120.64 113.10 3kp1 n GLU 176 Ca 0.03 -2.05 -0.07 0.00 -0.42 0.00 0.00 57.16 54.65 3kp1 n GLU 176 Cb 0.31 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 1.43 0.09 3.73 0.62 0.00 -0.73 -4.69 105.19 105.64 3kp1 n GLY 177 Ca 0.19 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.36 3.00 -0.19 1.61 1.01 -0.60 -4.70 120.40 118.17 3kp1 s VAL 178 Ca 0.00 0.78 0.19 0.00 0.00 0.00 0.00 61.98 62.96 3kp1 s VAL 178 Cb -0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3kp1 s VAL 178 CO 0.01 0.10 1.05 0.78 0.00 0.00 0.00 175.10 177.04 3kp1 h ASN 179 N 5.87 0.00 -5.03 3.32 4.21 -1.31 -3.42 115.58 119.22 3kp1 h ASN 179 Ca -0.44 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.02 3kp1 h ASN 179 Cb 1.21 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.26 3kp1 h ASN 179 CO 0.82 0.31 0.04 -0.83 -1.29 0.00 0.00 177.43 176.48 3kp1 s GLY 180 N -4.55 -0.42 0.12 2.83 0.00 -1.01 -2.17 107.32 102.12 3kp1 s GLY 180 Ca -0.00 0.47 -0.19 0.00 0.00 0.00 0.00 44.72 45.00 3kp1 s GLY 180 CO 0.78 0.18 0.48 0.00 0.00 0.00 0.00 173.10 174.53 3kp1 s ALA 181 N -2.83 -1.18 0.06 3.20 0.00 -0.30 -2.76 121.76 117.94 3kp1 s ALA 181 Ca -0.03 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 3kp1 s ALA 181 Cb -0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 3kp1 s ALA 181 CO -0.05 -0.66 0.86 -1.01 0.00 0.00 0.00 175.76 174.90 3kp1 s HIS 182 N -3.59 3.74 -0.22 0.00 3.76 -0.66 -1.28 115.29 117.03 3kp1 s HIS 182 Ca 0.01 1.60 -0.08 0.00 -0.15 0.00 0.00 55.06 56.45 3kp1 s HIS 182 Cb 0.01 -2.94 0.10 0.00 1.11 0.00 0.00 32.58 30.86 3kp1 s HIS 182 CO -0.11 0.20 0.48 -1.14 -0.85 0.00 0.00 174.74 173.32 3kp1 s GLN 183 N 0.15 0.39 -0.25 1.40 -0.44 -0.91 -0.77 119.66 119.24 3kp1 s GLN 183 Ca 0.43 1.14 -0.05 0.00 -2.50 0.00 0.00 55.36 54.38 3kp1 s GLN 183 Cb -0.21 0.47 0.13 0.00 -1.64 0.00 0.00 33.01 31.75 3kp1 s GLN 183 CO 0.26 -0.24 0.47 0.34 0.50 0.00 0.00 175.29 176.62 3kp1 s ASP 184 N 2.67 -0.41 0.53 6.67 -1.08 -1.26 -4.61 116.67 119.17 3kp1 s ASP 184 Ca -0.03 0.78 0.28 0.00 -0.52 0.00 0.00 52.55 53.06 3kp1 s ASP 184 Cb -0.12 1.55 1.49 0.00 -1.46 0.00 0.00 42.92 44.38 3kp1 s ASP 184 CO -0.14 -0.26 2.09 1.55 0.52 0.00 0.00 175.17 178.92 3kp1 h PRO 185 N 8.12 0.00 -0.58 4.34 0.13 -1.98 -2.32 132.00 139.71 3kp1 h PRO 185 Ca -0.19 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 3kp1 h PRO 185 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3kp1 h PRO 185 CO 0.20 0.11 0.07 1.96 -0.23 0.00 0.00 178.00 180.11 3kp1 h GLN 186 N 0.00 0.96 -0.48 0.86 4.20 -1.95 -2.91 115.11 115.78 3kp1 h GLN 186 Ca -0.00 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.52 3kp1 h GLN 186 Cb 0.31 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 3kp1 h GLN 186 CO 0.01 0.90 0.20 -0.92 -0.67 0.00 0.00 178.83 178.36 3kp1 h TYR 187 N 0.90 0.36 -0.89 2.96 3.20 -1.77 -0.60 116.97 121.13 3kp1 h TYR 187 Ca 0.18 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3kp1 h TYR 187 Cb 0.43 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 3kp1 h TYR 187 CO 0.03 0.15 0.56 -0.91 -1.64 0.00 0.00 178.16 176.34 3kp1 h ASN 188 N 0.40 0.88 0.17 -2.11 2.35 -1.56 -2.25 115.58 113.46 3kp1 h ASN 188 Ca 0.22 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3kp1 h ASN 188 Cb 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3kp1 h ASN 188 CO -0.20 0.56 -0.08 0.58 -1.65 0.00 0.00 177.43 176.64 3kp1 h VAL 189 N 1.01 0.18 -0.56 2.81 2.07 -1.40 -0.02 116.25 120.35 3kp1 h VAL 189 Ca 0.39 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3kp1 h VAL 189 Cb 0.18 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3kp1 h VAL 189 CO -0.17 0.06 0.02 -0.07 0.02 0.00 0.00 177.57 177.42 3kp1 h LEU 190 N -1.04 0.95 0.00 2.57 3.38 -1.16 -2.69 115.31 117.32 3kp1 h LEU 190 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kp1 h LEU 190 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kp1 h LEU 190 CO 0.04 1.01 -1.37 -1.22 0.09 0.00 0.00 178.44 176.99 3kp1 n TYR 191 N -4.27 0.00 0.20 1.13 4.01 -0.85 -4.54 117.16 112.84 3kp1 n TYR 191 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 3kp1 n TYR 191 Cb 0.32 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.80 0.64 -3.89 -0.72 5.12 -1.18 -5.02 116.66 109.80 3kp1 n ARG 192 Ca -0.01 -0.65 -0.28 0.00 -1.93 0.00 0.00 57.85 54.97 3kp1 n ARG 192 Cb 0.30 -1.03 0.02 0.00 -1.16 0.00 0.00 32.46 30.59 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 0.04 -3.75 -4.79 0.55 5.15 -0.97 -4.85 115.26 106.63 3kp1 n ASN 193 Ca 0.02 -0.81 -0.38 0.00 -0.60 0.00 0.00 54.58 52.81 3kp1 n ASN 193 Cb 0.11 -3.82 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 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 -3.41 4.50 0.17 -1.44 1.01 -0.06 -0.90 121.20 121.07 3kp1 s ILE 194 Ca 0.50 1.49 -0.34 0.00 0.00 0.00 0.00 60.65 62.30 3kp1 s ILE 194 Cb -0.25 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.06 3kp1 s ILE 194 CO 0.83 0.45 1.46 -3.20 0.00 0.00 0.00 174.94 174.49 3kp1 n ASN 195 N 1.39 2.62 -0.04 3.58 2.85 0.23 -4.09 115.26 121.80 3kp1 n ASN 195 Ca -0.06 1.11 -0.05 0.00 -0.11 0.00 0.00 54.58 55.47 3kp1 n ASN 195 Cb 0.50 -1.37 0.15 0.00 1.24 0.00 0.00 39.78 40.30 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 5.09 0.63 -0.23 1.20 -0.00 -1.83 0.49 114.93 120.29 3kp1 h MET 196 Ca -0.45 -0.24 -0.05 0.00 -0.00 0.00 0.00 59.70 58.96 3kp1 h MET 196 Cb 1.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.84 3kp1 h MET 196 CO 0.82 0.81 -0.05 0.82 -0.00 0.00 0.00 176.91 179.31 3kp1 h ILE 197 N 0.55 1.28 -0.63 -0.10 2.04 -1.90 -2.67 117.51 116.08 3kp1 h ILE 197 Ca 0.08 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3kp1 h ILE 197 Cb 0.68 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3kp1 h ILE 197 CO 0.05 0.32 0.41 -0.09 0.00 0.00 0.00 178.15 178.83 3kp1 h ARG 198 N 0.17 0.79 -0.21 2.37 9.65 -1.83 -2.76 114.38 122.56 3kp1 h ARG 198 Ca 0.06 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3kp1 h ARG 198 Cb 0.50 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 3kp1 h ARG 198 CO 0.02 0.52 0.09 1.03 2.80 0.00 0.00 179.97 184.43 3kp1 h SER 199 N 0.81 0.13 0.52 -3.80 0.87 -0.75 -1.44 113.55 109.89 3kp1 h SER 199 Ca 0.24 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.65 3kp1 h SER 199 Cb -0.04 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3kp1 h SER 199 CO -0.08 0.10 -0.76 -0.26 -0.53 0.00 0.00 176.83 175.31 3kp1 h PHE 200 N 0.20 0.25 -0.27 2.24 -1.00 -1.43 -1.16 116.94 115.78 3kp1 h PHE 200 Ca 0.09 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 3kp1 h PHE 200 Cb 0.04 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3kp1 h PHE 200 CO -0.10 0.87 -0.14 0.82 -1.61 0.00 0.00 178.31 178.14 3kp1 h ILE 201 N 0.12 1.30 -0.91 -0.55 2.04 -1.41 -2.78 117.51 115.33 3kp1 h ILE 201 Ca -0.02 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.61 3kp1 h ILE 201 Cb 1.33 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 3kp1 h ILE 201 CO 0.11 0.39 0.60 0.44 0.00 0.00 0.00 178.15 179.69 3kp1 h ASP 202 N 0.30 1.02 -0.75 1.72 5.19 -1.22 -2.91 116.42 119.77 3kp1 h ASP 202 Ca 0.06 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3kp1 h ASP 202 Cb 0.66 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 3kp1 h ASP 202 CO 0.04 0.73 0.44 0.00 -3.12 0.00 0.00 179.24 177.33 3kp1 h ALA 203 N 1.35 1.35 -0.69 3.45 0.00 -1.10 -0.89 119.26 122.73 3kp1 h ALA 203 Ca 0.34 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.28 3kp1 h ALA 203 Cb -0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.30 3kp1 h ALA 203 CO -0.09 0.55 0.26 0.00 0.00 0.00 0.00 179.25 179.97 3kp1 h GLU 205 N 0.42 -0.01 -0.62 0.00 4.57 -1.42 -2.59 114.58 114.93 3kp1 h GLU 205 Ca 0.37 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.68 3kp1 h GLU 205 Cb 0.52 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 3kp1 h GLU 205 CO -0.37 0.65 0.00 0.77 -1.18 0.00 0.00 179.01 178.89 3kp1 h SER 206 N -0.68 -0.27 0.23 1.04 0.02 -1.05 -1.37 113.55 111.46 3kp1 h SER 206 Ca -0.00 0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3kp1 h SER 206 Cb 0.67 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3kp1 h SER 206 CO 0.00 -0.11 -0.49 0.11 -1.14 0.00 0.00 176.83 175.19 3kp1 h LYS 207 N 0.12 0.31 -0.69 3.45 1.57 -1.21 -1.13 116.57 118.98 3kp1 h LYS 207 Ca 0.33 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3kp1 h LYS 207 Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3kp1 h LYS 207 CO -0.53 0.73 0.27 1.15 -0.57 0.00 0.00 179.45 180.50 3kp1 h THR 208 N 0.24 1.25 -0.39 -0.16 2.02 -0.92 -0.78 112.91 114.17 3kp1 h THR 208 Ca 0.01 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 3kp1 h THR 208 Cb 0.96 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3kp1 h THR 208 CO 0.08 0.31 -0.15 0.40 0.37 0.00 0.00 175.52 176.53 3kp1 h ILE 209 N 0.99 1.28 -0.83 3.11 2.04 -1.00 -2.20 117.51 120.90 3kp1 h ILE 209 Ca 0.23 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3kp1 h ILE 209 Cb 0.22 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3kp1 h ILE 209 CO -0.02 0.42 0.49 0.24 0.00 0.00 0.00 178.15 179.29 3kp1 h MET 210 N 0.60 1.13 -0.81 2.37 2.86 -1.04 -1.47 114.93 118.57 3kp1 h MET 210 Ca 0.09 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3kp1 h MET 210 Cb 0.69 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 3kp1 h MET 210 CO 0.05 0.80 0.37 0.00 1.06 0.00 0.00 176.91 179.19 3kp1 h ALA 211 N 1.26 1.04 -0.97 6.32 0.00 -1.05 -2.00 119.26 123.86 3kp1 h ALA 211 Ca 0.30 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kp1 h ALA 211 Cb -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 3kp1 h ALA 211 CO -0.05 0.63 0.64 2.35 0.00 0.00 0.00 179.25 182.81 3kp1 h TRP 212 N 1.15 1.21 0.00 0.00 7.01 -0.90 -2.31 115.95 122.12 3kp1 h TRP 212 Ca 0.28 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.30 3kp1 h TRP 212 Cb 0.14 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 3kp1 h TRP 212 CO 0.01 0.74 0.00 0.00 -2.79 0.00 0.00 178.44 176.41 3kp1 n ALA 213 N -2.37 2.58 -4.00 2.65 0.00 -0.60 -4.90 120.51 113.88 3kp1 n ALA 213 Ca 0.12 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3kp1 n ALA 213 Cb 0.04 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.80 -4.38 -4.85 0.00 2.03 -0.87 -3.63 116.55 104.05 3kp1 n ASP 214 Ca 0.14 -0.84 -0.32 0.00 0.52 0.00 0.00 54.79 54.29 3kp1 n ASP 214 Cb 0.06 -3.58 -0.05 0.00 -0.72 0.00 0.00 41.12 36.83 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 -6.70 3.96 0.27 -0.67 -1.94 -0.80 -1.89 119.30 111.52 3kp1 s MET 215 Ca 0.68 0.67 -0.27 0.00 -1.71 0.00 0.00 55.69 55.06 3kp1 s MET 215 Cb -0.35 -2.38 -0.09 0.00 2.01 0.00 0.00 34.83 34.02 3kp1 s MET 215 CO 0.86 0.07 0.90 0.00 -0.01 0.00 0.00 175.02 176.84 3kp1 s ALA 216 N -2.13 3.30 -0.11 3.03 0.00 -0.92 -4.82 121.76 120.11 3kp1 s ALA 216 Ca 0.54 0.51 0.01 0.00 0.00 0.00 0.00 51.96 53.02 3kp1 s ALA 216 Cb -0.10 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3kp1 s ALA 216 CO 0.21 0.22 -0.15 -1.14 0.00 0.00 0.00 175.76 174.90 3kp1 s GLN 217 N -1.63 3.11 -0.12 0.00 0.74 -0.06 -1.15 119.66 120.55 3kp1 s GLN 217 Ca 0.45 -0.71 -0.02 0.00 0.05 0.00 0.00 55.36 55.12 3kp1 s GLN 217 Cb -0.22 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 3kp1 s GLN 217 CO 0.27 0.32 -0.03 0.42 -0.55 0.00 0.00 175.29 175.72 3kp1 s ILE 218 N 0.07 4.03 0.53 -2.34 1.01 -0.41 -0.47 121.20 123.62 3kp1 s ILE 218 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3kp1 s ILE 218 Cb -0.15 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.71 3kp1 s ILE 218 CO 0.05 0.54 0.72 -0.90 0.00 0.00 0.00 174.94 175.35 3kp1 n ASP 219 N 2.88 0.53 -0.75 3.58 5.68 -0.93 -2.14 116.55 125.41 3kp1 n ASP 219 Ca -0.18 -1.55 0.07 0.00 -0.50 0.00 0.00 54.79 52.63 3kp1 n ASP 219 Cb 0.53 -0.50 0.17 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.11 2.47 0.30 6.12 0.00 -1.26 -4.52 105.19 108.18 3kp1 n GLY 223 Ca 0.10 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 2.45 1.90 -0.51 4.61 0.00 -1.94 -0.94 119.26 124.83 3kp1 h ALA 224 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3kp1 h ALA 224 Cb 0.76 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kp1 h ALA 224 CO 0.00 -0.13 0.53 1.12 0.00 0.00 0.00 179.25 180.78 3kp1 h HIS 225 N 0.00 0.00 0.00 0.00 2.07 -1.84 0.19 115.15 115.57 3kp1 h HIS 225 Ca 0.04 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.53 3kp1 h HIS 225 Cb 0.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.18 3kp1 h HIS 225 CO 0.00 0.00 -0.15 -0.91 -3.07 0.00 0.00 177.93 173.80 3kp1 h ASN 226 N 0.00 0.00 0.24 3.10 2.35 -1.54 -2.70 115.58 117.04 3kp1 h ASN 226 Ca 0.24 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 3kp1 h ASN 226 Cb 1.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3kp1 h ASN 226 CO -0.00 0.15 -0.52 0.00 -1.65 0.00 0.00 177.43 175.41 3kp1 h ALA 227 N 1.85 0.91 -0.53 -0.83 0.00 -0.83 -2.25 119.26 117.59 3kp1 h ALA 227 Ca -0.00 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kp1 h ALA 227 Cb 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3kp1 h ALA 227 CO 0.02 0.67 0.20 -0.91 0.00 0.00 0.00 179.25 179.23 3kp1 h ASN 228 N 0.24 0.22 0.34 0.00 4.21 -1.56 -2.10 115.58 116.92 3kp1 h ASN 228 Ca 0.01 0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 3kp1 h ASN 228 Cb 0.99 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 3kp1 h ASN 228 CO 0.08 0.15 -0.54 0.00 -1.29 0.00 0.00 177.43 175.83 3kp1 h ALA 229 N 1.35 0.94 -0.00 -0.83 0.00 -1.37 -3.17 119.26 116.18 3kp1 h ALA 229 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kp1 h ALA 229 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kp1 h ALA 229 CO -0.25 0.69 -0.61 0.25 0.00 0.00 0.00 179.25 179.33 3kp1 n THR 230 N -3.92 0.00 -2.18 0.00 -2.24 -0.89 -4.93 114.28 100.13 3kp1 n THR 230 Ca -0.02 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 3kp1 n THR 230 Cb 0.57 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.97 3.14 0.05 6.98 0.00 -0.80 -4.94 121.76 123.23 3kp1 s ALA 231 Ca 0.11 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 3kp1 s ALA 231 Cb 0.17 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 3kp1 s ALA 231 CO 0.73 -0.69 1.44 0.00 0.00 0.00 0.00 175.76 177.23 3kp1 h ARG 232 N 2.49 0.30 -4.19 0.00 2.47 -1.90 -3.41 114.38 110.14 3kp1 h ARG 232 Ca -0.49 -0.12 -0.59 0.00 -1.26 0.00 0.00 59.98 57.52 3kp1 h ARG 232 Cb 1.24 -0.02 -0.39 0.00 -1.65 0.00 0.00 29.97 29.16 3kp1 h ARG 232 CO 0.62 0.58 -0.78 -1.21 0.56 0.00 0.00 179.97 179.74 3kp1 s GLU 233 N -4.74 1.41 0.56 0.04 2.02 -1.26 -5.03 118.70 111.69 3kp1 s GLU 233 Ca -0.14 -0.92 0.28 0.00 0.02 0.00 0.00 54.97 54.20 3kp1 s GLU 233 Cb 0.06 -2.50 1.63 0.00 0.10 0.00 0.00 34.13 33.41 3kp1 s GLU 233 CO 0.73 -0.63 2.17 0.00 0.02 0.00 0.00 175.26 177.55 3kp1 h ALA 234 N 8.00 1.45 0.00 5.21 0.00 -1.83 -1.44 119.26 130.66 3kp1 h ALA 234 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kp1 h ALA 234 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kp1 h ALA 234 CO 0.40 0.07 0.00 -2.67 0.00 0.00 0.00 179.25 177.05 3kp1 n TRP 235 N -3.81 0.00 0.47 0.00 2.14 -1.26 -2.45 117.44 112.54 3kp1 n TRP 235 Ca -0.03 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.59 3kp1 n TRP 235 Cb 0.15 -0.02 -0.04 0.00 -0.81 0.00 0.00 31.31 30.59 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 -1.02 3.09 0.00 -2.67 5.02 -0.54 -4.59 118.16 117.45 3kp1 n LYS 236 Ca 0.13 -0.22 0.13 0.00 -2.02 0.00 0.00 58.31 56.32 3kp1 n LYS 236 Cb 0.07 -1.02 0.37 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.88 0.00 -0.28 -0.18 3.14 -1.02 -4.22 118.33 114.89 3kp1 n VAL 237 Ca 0.03 -0.07 0.07 0.00 -2.96 0.00 0.00 64.34 61.41 3kp1 n VAL 237 Cb 0.18 0.25 0.22 0.00 -1.06 0.00 0.00 33.84 33.43 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 0.66 0.54 -0.81 1.45 2.86 -1.81 -0.71 114.93 117.11 3kp1 h MET 238 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3kp1 h MET 238 Cb 0.49 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3kp1 h MET 238 CO 0.00 0.36 0.48 -1.35 1.06 0.00 0.00 176.91 177.46 3kp1 h PRO 239 N 0.56 1.10 -0.77 -0.22 0.11 -1.88 -1.72 132.00 129.18 3kp1 h PRO 239 Ca 0.45 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 3kp1 h PRO 239 Cb 0.66 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3kp1 h PRO 239 CO -0.38 0.78 0.31 1.49 -0.21 0.00 0.00 178.00 179.99 3kp1 h GLU 240 N 1.11 1.14 -0.50 1.05 4.81 -1.49 -2.66 114.58 118.05 3kp1 h GLU 240 Ca 0.29 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3kp1 h GLU 240 Cb -0.03 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.11 3kp1 h GLU 240 CO -0.05 0.92 0.24 -0.07 -0.73 0.00 0.00 179.01 179.32 3kp1 h LEU 241 N 1.12 0.33 -0.87 1.64 3.38 -0.62 -0.68 115.31 119.61 3kp1 h LEU 241 Ca 0.26 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3kp1 h LEU 241 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kp1 h LEU 241 CO -0.02 0.23 -0.17 0.24 0.09 0.00 0.00 178.44 178.81 3kp1 h MET 242 N 0.47 0.65 -0.12 1.13 2.86 -1.01 -0.47 114.93 118.43 3kp1 h MET 242 Ca 0.22 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3kp1 h MET 242 Cb 0.15 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3kp1 h MET 242 CO -0.17 0.78 -0.04 0.28 1.06 0.00 0.00 176.91 178.83 3kp1 h VAL 243 N 0.58 1.30 -0.43 -2.22 2.07 -1.22 -0.29 116.25 116.04 3kp1 h VAL 243 Ca 0.09 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3kp1 h VAL 243 Cb 0.62 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3kp1 h VAL 243 CO 0.04 0.29 0.18 1.56 0.02 0.00 0.00 177.57 179.66 3kp1 h GLN 244 N -0.09 0.35 -0.55 1.57 4.20 -0.76 -0.20 115.11 119.63 3kp1 h GLN 244 Ca 0.03 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3kp1 h GLN 244 Cb 0.47 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3kp1 h GLN 244 CO 0.01 0.23 0.32 0.45 -0.67 0.00 0.00 178.83 179.17 3kp1 h HIS 245 N 0.36 0.59 -0.41 2.96 3.86 -1.06 -2.60 115.15 118.85 3kp1 h HIS 245 Ca 0.20 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3kp1 h HIS 245 Cb 0.16 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3kp1 h HIS 245 CO -0.13 0.32 0.10 0.00 0.86 0.00 0.00 177.93 179.08 3kp1 h ALA 246 N 1.26 0.54 -0.30 2.45 0.00 -0.26 -0.57 119.26 122.38 3kp1 h ALA 246 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 246 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kp1 h ALA 246 CO -0.12 0.22 0.01 -0.07 0.00 0.00 0.00 179.25 179.30 3kp1 h LEU 247 N 0.53 0.51 -0.57 0.00 3.38 -0.95 -1.11 115.31 117.09 3kp1 h LEU 247 Ca 0.13 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3kp1 h LEU 247 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kp1 h LEU 247 CO 0.00 0.68 -0.19 -1.13 0.09 0.00 0.00 178.44 177.89 3kp1 h ASN 248 N 0.33 0.96 0.42 -0.43 -1.24 -1.44 -1.96 115.58 112.22 3kp1 h ASN 248 Ca 0.09 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 56.73 3kp1 h ASN 248 Cb 0.41 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3kp1 h ASN 248 CO 0.01 1.12 -0.20 0.28 -1.29 0.00 0.00 177.43 177.35 3kp1 h SER 249 N 0.82 -0.48 0.18 1.15 0.02 -0.86 0.82 113.55 115.19 3kp1 h SER 249 Ca 0.11 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 3kp1 h SER 249 Cb 0.75 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3kp1 h SER 249 CO 0.06 -0.29 -0.51 -0.29 -1.14 0.00 0.00 176.83 174.65 3kp1 h ILE 250 N -0.63 1.34 -0.15 3.27 6.09 -1.27 -0.36 117.51 125.80 3kp1 h ILE 250 Ca -0.06 -1.76 0.03 0.00 -1.37 0.00 0.00 64.86 61.70 3kp1 h ILE 250 Cb 0.47 1.79 -0.03 0.00 0.47 0.00 0.00 36.82 39.52 3kp1 h ILE 250 CO 0.10 0.53 -0.04 0.15 -3.07 0.00 0.00 178.15 175.82 3kp1 h PHE 251 N 0.30 -0.08 -0.75 2.19 3.57 -1.29 -1.14 116.94 119.73 3kp1 h PHE 251 Ca 0.01 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3kp1 h PHE 251 Cb 1.00 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3kp1 h PHE 251 CO 0.03 -0.07 0.31 0.77 -2.23 0.00 0.00 178.31 177.12 3kp1 h SER 252 N -0.00 1.03 -0.22 0.41 0.02 -0.43 -1.13 113.55 113.23 3kp1 h SER 252 Ca 0.07 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3kp1 h SER 252 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3kp1 h SER 252 CO -0.15 0.92 0.10 0.25 -1.14 0.00 0.00 176.83 176.80 3kp1 h LEU 253 N 1.08 0.29 -1.04 5.07 5.85 -0.84 -1.47 115.31 124.25 3kp1 h LEU 253 Ca 0.25 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3kp1 h LEU 253 Cb 0.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kp1 h LEU 253 CO -0.02 0.33 -0.38 0.11 -0.34 0.00 0.00 178.44 178.14 3kp1 h LYS 254 N 0.22 0.00 -0.44 1.25 1.57 -0.92 -0.98 116.57 117.28 3kp1 h LYS 254 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kp1 h LYS 254 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3kp1 h LYS 254 CO -0.01 0.38 0.15 0.28 -0.57 0.00 0.00 179.45 179.68 3kp1 h VAL 255 N 0.00 1.18 0.00 0.50 2.07 -1.11 -3.47 116.25 115.42 3kp1 h VAL 255 Ca -0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3kp1 h VAL 255 Cb 0.84 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kp1 h VAL 255 CO 0.05 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.47 3kp1 n GLY 256 N -1.10 0.75 3.78 2.17 0.00 -0.37 -4.90 105.19 105.51 3kp1 n GLY 256 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 4.10 0.20 1.61 -1.94 -0.58 -4.97 119.30 117.72 3kp1 s MET 257 Ca 0.00 1.63 -0.30 0.00 -1.71 0.00 0.00 55.69 55.31 3kp1 s MET 257 Cb 0.00 -2.58 -0.08 0.00 2.01 0.00 0.00 34.83 34.18 3kp1 s MET 257 CO 0.00 -0.22 1.22 0.15 -0.01 0.00 0.00 175.02 176.16 3kp1 s LYS 258 N -2.43 4.47 0.37 2.03 1.02 -1.26 -4.43 119.74 119.51 3kp1 s LYS 258 Ca 0.58 1.93 0.14 0.00 0.02 0.00 0.00 55.97 58.63 3kp1 s LYS 258 Cb -0.25 -3.22 0.97 0.00 -0.52 0.00 0.00 37.83 34.81 3kp1 s LYS 258 CO 0.32 -0.12 1.80 -0.22 -0.92 0.00 0.00 175.35 176.21 3kp1 h LYS 259 N 5.14 0.51 0.00 1.68 3.64 -1.94 0.13 116.57 125.72 3kp1 h LYS 259 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kp1 h LYS 259 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3kp1 h LYS 259 CO 0.74 0.34 0.00 -1.13 -2.27 0.00 0.00 179.45 177.13 3kp1 n SER 260 N -4.64 0.00 -0.46 4.20 3.41 -1.26 -1.54 113.62 113.34 3kp1 n SER 260 Ca 0.23 -0.32 0.06 0.00 -0.26 0.00 0.00 58.87 58.58 3kp1 n SER 260 Cb 0.72 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.17 1.92 -4.48 4.04 3.02 0.42 -4.81 115.26 114.20 3kp1 n ASN 261 Ca 0.14 -1.46 -0.43 0.00 -0.03 0.00 0.00 54.58 52.79 3kp1 n ASN 261 Cb 0.14 0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.06 4.93 -0.21 2.41 1.01 -0.59 -0.88 121.20 126.81 3kp1 s ILE 262 Ca 0.14 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3kp1 s ILE 262 Cb 0.10 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3kp1 s ILE 262 CO 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 174.94 174.49 3kp1 s LEU 264 N 1.18 4.40 -0.55 0.00 1.02 -0.40 -2.18 118.68 122.15 3kp1 s LEU 264 Ca 0.03 1.60 -0.21 0.00 0.02 0.00 0.00 54.13 55.56 3kp1 s LEU 264 Cb -0.15 -3.46 0.06 0.00 0.02 0.00 0.00 46.19 42.66 3kp1 s LEU 264 CO 0.01 -0.16 0.78 -0.55 0.02 0.00 0.00 176.35 176.44 3kp1 s SER 265 N 0.61 6.25 -0.21 2.29 0.15 -1.26 -0.11 113.70 121.43 3kp1 s SER 265 Ca 0.47 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3kp1 s SER 265 Cb -0.21 -2.35 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3kp1 s SER 265 CO 0.26 -1.09 -0.13 0.28 1.20 0.00 0.00 173.24 173.77 3kp1 s THR 266 N 3.23 1.86 -0.21 6.45 -1.32 -0.14 -3.63 115.64 121.89 3kp1 s THR 266 Ca 0.21 -1.15 -0.05 0.00 -1.21 0.00 0.00 61.69 59.49 3kp1 s THR 266 Cb -0.17 -1.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 3kp1 s THR 266 CO 0.14 0.20 0.01 -0.69 -2.21 0.00 0.00 174.62 172.07 3kp1 s VAL 267 N 1.30 4.01 0.01 5.08 1.01 -1.26 -1.96 120.40 128.59 3kp1 s VAL 267 Ca -0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 61.98 61.33 3kp1 s VAL 267 Cb -0.16 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.26 3kp1 s VAL 267 CO -0.08 0.42 1.72 -2.65 0.00 0.00 0.00 175.10 174.50 3kp1 n PRO 268 N 4.33 2.04 0.25 2.72 -0.02 -1.26 -4.85 135.00 138.21 3kp1 n PRO 268 Ca -0.17 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3kp1 n PRO 268 Cb 0.52 -2.54 0.65 0.00 -0.02 0.00 0.00 33.50 32.11 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 7.53 0.00 -5.14 0.52 0.11 -1.92 -3.45 132.00 129.65 3kp1 h PRO 269 Ca -0.47 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 3kp1 h PRO 269 Cb 1.27 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 3kp1 h PRO 269 CO 0.92 0.12 -0.54 0.95 -0.21 0.00 0.00 178.00 179.24 3kp1 s THR 270 N -4.49 0.92 0.08 -1.15 -4.23 -1.26 -4.56 115.64 100.95 3kp1 s THR 270 Ca -0.04 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 3kp1 s THR 270 Cb 0.15 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3kp1 s THR 270 CO 0.63 0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.91 3kp1 s ALA 271 N -3.16 -0.26 0.61 3.99 0.00 -1.26 -4.88 121.76 116.80 3kp1 s ALA 271 Ca 0.25 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3kp1 s ALA 271 Cb 0.04 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3kp1 s ALA 271 CO 0.13 -0.49 1.22 -2.30 0.00 0.00 0.00 175.76 174.32 3kp1 n PRO 272 N 0.04 1.19 0.00 0.00 -0.02 -1.26 -1.50 135.00 133.45 3kp1 n PRO 272 Ca -0.16 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3kp1 n PRO 272 Cb 0.62 -2.45 0.12 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.46 0.84 -1.84 0.52 -0.04 -1.26 -5.07 135.00 126.69 3kp1 n PRO 273 Ca 0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 3kp1 n PRO 273 Cb 0.47 -1.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.90 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 -2.00 2.43 -1.20 0.55 0.00 -0.56 -4.88 121.76 116.09 3kp1 s ALA 274 Ca 0.06 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 3kp1 s ALA 274 Cb 0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3kp1 s ALA 274 CO 0.05 -1.34 1.89 -0.35 0.00 0.00 0.00 175.76 176.00 3kp1 n PRO 275 N -1.98 2.29 -0.02 0.00 -0.04 -1.26 -4.78 135.00 129.21 3kp1 n PRO 275 Ca 0.13 -2.71 -0.15 0.00 -0.04 0.00 0.00 63.50 60.74 3kp1 n PRO 275 Cb 0.50 -3.51 -0.04 0.00 -0.04 0.00 0.00 33.50 30.41 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 8.38 0.85 -0.77 3.54 4.64 -1.90 -1.65 113.55 126.65 3kp1 h SER 276 Ca 0.36 -0.52 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3kp1 h SER 276 Cb 0.86 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 3kp1 h SER 276 CO 1.46 1.31 0.41 0.24 -0.87 0.00 0.00 176.83 179.37 3kp1 h MET 277 N 0.52 1.08 -0.33 4.77 2.86 -1.92 -0.35 114.93 121.57 3kp1 h MET 277 Ca -0.03 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.34 3kp1 h MET 277 Cb 1.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3kp1 h MET 277 CO 0.14 0.81 -0.36 -0.92 1.06 0.00 0.00 176.91 177.65 3kp1 h TYR 278 N 1.07 0.88 -0.05 -0.22 3.20 -1.88 -1.12 116.97 118.85 3kp1 h TYR 278 Ca 0.27 -0.24 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 3kp1 h TYR 278 Cb 0.05 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3kp1 h TYR 278 CO 0.00 0.99 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.68 3kp1 h LEU 279 N 0.62 0.38 0.00 2.82 3.38 -1.12 -3.39 115.31 118.00 3kp1 h LEU 279 Ca 0.06 -0.27 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 3kp1 h LEU 279 Cb 0.89 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3kp1 h LEU 279 CO 0.08 1.01 -2.14 0.47 0.09 0.00 0.00 178.44 177.95 3kp1 n ASP 280 N -3.79 0.12 -0.15 -0.43 8.00 -0.16 -4.39 116.55 115.76 3kp1 n ASP 280 Ca -0.04 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3kp1 n ASP 280 Cb 0.73 1.18 -0.00 0.00 -0.02 0.00 0.00 41.12 43.01 3kp1 n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kp1 h LEU 281 N 0.00 0.64 -1.46 0.64 5.85 -1.39 -0.62 115.31 118.96 3kp1 h LEU 281 Ca -0.33 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.19 3kp1 h LEU 281 Cb 1.78 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 3kp1 h LEU 281 CO 0.02 0.68 0.37 -0.65 -0.34 0.00 0.00 178.44 178.52 3kp1 h PRO 282 N 0.56 0.72 -0.19 5.25 0.11 -1.78 -1.08 132.00 135.58 3kp1 h PRO 282 Ca 0.14 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3kp1 h PRO 282 Cb 0.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3kp1 h PRO 282 CO -0.00 0.47 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.33 3kp1 h TYR 283 N 0.74 0.38 -0.67 0.65 3.20 -1.65 -1.07 116.97 118.54 3kp1 h TYR 283 Ca 0.20 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3kp1 h TYR 283 Cb -0.07 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 3kp1 h TYR 283 CO -0.00 0.56 0.39 0.00 -1.64 0.00 0.00 178.16 177.46 3kp1 h ALA 284 N 0.77 0.90 -0.12 1.82 0.00 -0.72 -1.28 119.26 120.62 3kp1 h ALA 284 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kp1 h ALA 284 Cb 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kp1 h ALA 284 CO 0.01 0.08 -0.09 0.28 0.00 0.00 0.00 179.25 179.53 3kp1 h VAL 285 N 0.72 1.34 -0.96 0.00 2.07 -1.19 -2.41 116.25 115.83 3kp1 h VAL 285 Ca 0.30 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.73 3kp1 h VAL 285 Cb 0.15 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3kp1 h VAL 285 CO -0.17 0.34 0.61 0.00 0.02 0.00 0.00 177.57 178.38 3kp1 h ALA 286 N 0.62 1.56 -0.09 1.67 0.00 -0.80 -1.51 119.26 120.71 3kp1 h ALA 286 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 286 Cb 0.58 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kp1 h ALA 286 CO 0.02 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.71 3kp1 h LEU 287 N 0.97 0.20 -1.92 0.00 5.85 -1.14 -1.16 115.31 118.12 3kp1 h LEU 287 Ca 0.45 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kp1 h LEU 287 Cb 0.41 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3kp1 h LEU 287 CO -0.21 0.58 -0.00 0.03 -0.34 0.00 0.00 178.44 178.49 3kp1 h ARG 288 N -0.18 0.04 0.10 1.25 -0.00 -1.14 -0.65 114.38 113.81 3kp1 h ARG 288 Ca 0.02 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.33 3kp1 h ARG 288 Cb 0.51 -0.01 0.02 0.00 0.00 0.00 0.00 29.97 30.48 3kp1 h ARG 288 CO 0.01 0.05 -0.73 0.93 0.00 0.00 0.00 179.97 180.24 3kp1 h GLU 289 N 0.04 0.32 -0.19 0.04 5.08 -1.11 -2.88 114.58 115.89 3kp1 h GLU 289 Ca 0.01 -0.47 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 3kp1 h GLU 289 Cb 0.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3kp1 h GLU 289 CO 0.00 1.19 -0.31 1.98 -1.00 0.00 0.00 179.01 180.87 3kp1 h MET 290 N -0.32 0.38 -0.65 2.33 4.05 -1.06 -3.18 114.93 116.47 3kp1 h MET 290 Ca -0.12 -0.15 -0.33 0.00 -0.28 0.00 0.00 59.70 58.81 3kp1 h MET 290 Cb 1.53 -0.02 -0.20 0.00 -0.80 0.00 0.00 31.60 32.11 3kp1 h MET 290 CO 0.14 0.65 0.26 1.19 0.23 0.00 0.00 176.91 179.38 3kp1 n PHE 291 N -4.09 2.02 -1.64 1.39 3.72 -0.26 -5.01 117.46 113.58 3kp1 n PHE 291 Ca -0.01 -1.70 -0.43 0.00 -0.05 0.00 0.00 57.45 55.26 3kp1 n PHE 291 Cb 0.43 -0.70 -0.00 0.00 -0.94 0.00 0.00 39.48 38.26 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 -1.10 1.65 0.00 -1.08 1.02 -1.09 -1.32 120.64 118.72 3kp1 n GLU 292 Ca 0.45 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 3kp1 n GLU 292 Cb 1.33 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 1.03 2.93 3.90 0.62 0.00 -1.26 -5.05 105.19 107.36 3kp1 n GLY 293 Ca 0.08 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.86 3.35 0.27 1.61 2.02 -0.43 -4.34 117.35 117.97 3kp1 s TYR 294 Ca 0.00 0.91 -0.15 0.00 -0.37 0.00 0.00 57.07 57.46 3kp1 s TYR 294 Cb 0.00 -2.86 -0.08 0.00 -0.40 0.00 0.00 41.96 38.62 3kp1 s TYR 294 CO 0.00 -0.93 0.69 1.03 -1.57 0.00 0.00 175.55 174.77 3kp1 s ARG 295 N -5.16 4.03 -0.26 -0.62 1.81 -0.13 -5.02 118.95 113.61 3kp1 s ARG 295 Ca 0.55 0.65 -0.07 0.00 -1.72 0.00 0.00 55.73 55.15 3kp1 s ARG 295 Cb -0.11 -2.60 -0.02 0.00 -0.45 0.00 0.00 34.95 31.77 3kp1 s ARG 295 CO 0.49 0.26 0.06 -1.64 -0.68 0.00 0.00 175.30 173.79 3kp1 s MET 296 N -2.65 3.48 -0.60 3.54 -1.94 -1.26 -1.28 119.30 118.59 3kp1 s MET 296 Ca 0.49 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 3kp1 s MET 296 Cb -0.12 -3.29 0.15 0.00 2.01 0.00 0.00 34.83 33.57 3kp1 s MET 296 CO 0.19 -0.25 0.55 0.50 -0.01 0.00 0.00 175.02 175.99 3kp1 s ARG 297 N 1.57 3.08 0.35 2.03 3.00 0.85 -0.86 118.95 128.97 3kp1 s ARG 297 Ca 0.05 -1.89 -0.27 0.00 -1.00 0.00 0.00 55.73 52.63 3kp1 s ARG 297 Cb -0.15 -4.29 -0.09 0.00 0.00 0.00 0.00 34.95 30.41 3kp1 s ARG 297 CO 0.02 -1.31 1.14 0.00 0.00 0.00 0.00 175.30 175.16 3kp1 s ALA 298 N 1.25 3.28 0.08 6.12 0.00 -0.06 -0.97 121.76 131.47 3kp1 s ALA 298 Ca 0.07 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3kp1 s ALA 298 Cb -0.25 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kp1 s ALA 298 CO 0.00 -0.35 -0.06 -1.14 0.00 0.00 0.00 175.76 174.21 3kp1 s GLN 299 N -1.94 0.74 0.43 0.00 2.00 -0.83 -0.61 119.66 119.45 3kp1 s GLN 299 Ca 0.51 -1.22 -0.01 0.00 -2.00 0.00 0.00 55.36 52.65 3kp1 s GLN 299 Cb -0.31 -0.14 -0.02 0.00 0.80 0.00 0.00 33.01 33.35 3kp1 s GLN 299 CO 0.40 -0.03 0.66 -1.64 -0.50 0.00 0.00 175.29 174.18 3kp1 s MET 300 N -3.48 3.23 0.13 1.67 -1.94 -1.26 -4.23 119.30 113.42 3kp1 s MET 300 Ca 0.07 -0.34 -0.34 0.00 -1.71 0.00 0.00 55.69 53.38 3kp1 s MET 300 Cb 0.03 -2.55 -0.13 0.00 2.01 0.00 0.00 34.83 34.19 3kp1 s MET 300 CO -0.05 -0.17 1.63 -1.71 -0.01 0.00 0.00 175.02 174.71 3kp1 n ASN 301 N -2.05 3.19 0.00 3.03 5.15 -1.26 -4.88 115.26 118.44 3kp1 n ASN 301 Ca -0.00 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 3kp1 n ASN 301 Cb 0.57 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 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 3.70 0.00 -0.04 -0.44 -2.24 -1.26 -4.88 114.28 109.11 3kp1 n THR 302 Ca 0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 3kp1 n THR 302 Cb 0.29 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.26 -2.77 -0.78 3.64 -1.95 -3.30 116.57 111.68 3kp1 h LYS 303 Ca 0.00 -0.03 -0.75 0.00 -1.27 0.00 0.00 60.65 58.60 3kp1 h LYS 303 Cb 0.44 -0.05 -0.32 0.00 -0.41 0.00 0.00 32.23 31.89 3kp1 h LYS 303 CO 0.00 0.27 0.38 0.66 -2.27 0.00 0.00 179.45 178.49 3kp1 n TYR 304 N -4.89 2.80 -3.87 1.91 4.01 -1.26 -4.97 117.16 110.88 3kp1 n TYR 304 Ca -0.04 -3.09 -0.11 0.00 -0.16 0.00 0.00 57.90 54.50 3kp1 n TYR 304 Cb 0.08 -1.08 -0.10 0.00 -0.31 0.00 0.00 39.34 37.93 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 -2.61 0.51 0.00 -0.72 1.75 -1.24 -4.87 119.30 112.11 3kp1 s MET 305 Ca 0.33 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.32 3kp1 s MET 305 Cb 0.06 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.94 3kp1 s MET 305 CO 0.06 -0.12 0.00 -1.91 -0.65 0.00 0.00 175.02 172.40 3kp1 n GLU 306 N 1.34 2.35 -0.20 4.11 4.07 -1.26 -4.95 120.64 126.09 3kp1 n GLU 306 Ca -0.22 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 56.99 3kp1 n GLU 306 Cb 0.56 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 32.20 3kp1 n GLU 306 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kp1 n ALA 307 N -3.00 2.43 -2.58 4.31 0.00 -1.26 -3.91 120.51 116.51 3kp1 n ALA 307 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.08 3kp1 n ALA 307 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.38 6.48 0.35 0.00 0.15 -1.26 -4.77 113.70 113.27 3kp1 s SER 308 Ca 0.38 0.23 0.06 0.00 0.70 0.00 0.00 55.95 57.32 3kp1 s SER 308 Cb 0.22 -2.35 0.66 0.00 -1.71 0.00 0.00 66.02 62.83 3kp1 s SER 308 CO 0.30 -0.64 1.88 0.71 1.20 0.00 0.00 173.24 176.68 3kp1 h THR 309 N 5.70 1.20 0.22 6.45 1.35 -1.90 -1.94 112.91 123.99 3kp1 h THR 309 Ca -0.26 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 3kp1 h THR 309 Cb 1.10 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3kp1 h THR 309 CO 0.86 0.27 -0.11 -0.09 -0.25 0.00 0.00 175.52 176.21 3kp1 h ARG 310 N 0.39 -0.29 -0.68 4.72 2.43 -1.92 -1.23 114.38 117.80 3kp1 h ARG 310 Ca 0.08 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3kp1 h ARG 310 Cb 0.37 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 3kp1 h ARG 310 CO 0.02 -0.15 0.43 1.49 -1.51 0.00 0.00 179.97 180.25 3kp1 h GLU 311 N -0.36 0.83 -0.13 0.20 4.81 -1.91 -1.27 114.58 116.75 3kp1 h GLU 311 Ca -0.03 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kp1 h GLU 311 Cb 0.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kp1 h GLU 311 CO 0.05 0.55 0.05 0.00 -0.73 0.00 0.00 179.01 178.92 3kp1 h ALA 312 N 1.28 0.14 -0.52 2.92 0.00 -1.28 -2.06 119.26 119.74 3kp1 h ALA 312 Ca 0.27 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3kp1 h ALA 312 Cb -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3kp1 h ALA 312 CO -0.09 -0.40 0.22 1.15 0.00 0.00 0.00 179.25 180.13 3kp1 h THR 313 N 0.11 0.87 -0.47 0.00 2.02 -0.74 0.73 112.91 115.44 3kp1 h THR 313 Ca 0.05 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3kp1 h THR 313 Cb 0.03 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3kp1 h THR 313 CO -0.05 0.08 0.22 0.58 0.37 0.00 0.00 175.52 176.71 3kp1 h VAL 314 N 0.43 1.19 -0.84 3.16 2.07 -0.96 -1.26 116.25 120.03 3kp1 h VAL 314 Ca 0.25 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3kp1 h VAL 314 Cb 0.23 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3kp1 h VAL 314 CO -0.22 0.21 0.41 0.74 0.02 0.00 0.00 177.57 178.73 3kp1 h THR 315 N 0.61 1.26 -0.70 2.57 2.02 -0.95 -2.44 112.91 115.27 3kp1 h THR 315 Ca 0.16 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3kp1 h THR 315 Cb 0.13 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3kp1 h THR 315 CO -0.02 0.31 0.38 0.45 0.37 0.00 0.00 175.52 177.00 3kp1 h HIS 316 N 1.19 0.96 -0.68 3.16 3.86 -0.14 0.18 115.15 123.68 3kp1 h HIS 316 Ca 0.29 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3kp1 h HIS 316 Cb 0.11 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3kp1 h HIS 316 CO 0.01 0.67 0.27 0.28 0.86 0.00 0.00 177.93 180.03 3kp1 h VAL 317 N 0.98 1.24 -0.80 2.45 2.07 -0.80 -0.16 116.25 121.23 3kp1 h VAL 317 Ca 0.25 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3kp1 h VAL 317 Cb 0.04 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3kp1 h VAL 317 CO -0.04 0.30 0.34 -0.07 0.02 0.00 0.00 177.57 178.12 3kp1 h LEU 318 N 0.96 1.09 -0.70 2.57 3.38 -0.96 -0.37 115.31 121.29 3kp1 h LEU 318 Ca 0.23 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3kp1 h LEU 318 Cb 0.21 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3kp1 h LEU 318 CO -0.02 0.95 0.38 0.78 0.09 0.00 0.00 178.44 180.63 3kp1 h ASN 319 N 1.16 0.55 -0.15 -0.43 -0.26 -0.53 -1.96 115.58 113.96 3kp1 h ASN 319 Ca 0.27 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.97 3kp1 h ASN 319 Cb 0.19 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3kp1 h ASN 319 CO -0.03 0.34 -0.15 -0.07 -1.06 0.00 0.00 177.43 176.46 3kp1 h LEU 320 N 0.68 0.52 -0.74 1.61 3.38 -0.42 -2.34 115.31 118.01 3kp1 h LEU 320 Ca 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3kp1 h LEU 320 Cb 0.25 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3kp1 h LEU 320 CO -0.21 0.70 0.33 0.25 0.09 0.00 0.00 178.44 179.60 3kp1 h LEU 321 N 0.49 0.99 -0.37 1.67 5.85 -0.56 -0.82 115.31 122.55 3kp1 h LEU 321 Ca 0.09 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3kp1 h LEU 321 Cb 0.55 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3kp1 h LEU 321 CO 0.04 0.87 0.20 0.40 -0.34 0.00 0.00 178.44 179.60 3kp1 h ILE 322 N 1.05 1.00 -0.25 4.05 1.08 -0.99 0.10 117.51 123.54 3kp1 h ILE 322 Ca 0.25 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 3kp1 h ILE 322 Cb 0.16 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 3kp1 h ILE 322 CO -0.03 0.07 0.03 0.28 -0.69 0.00 0.00 178.15 177.81 3kp1 h SER 323 N 0.40 -0.04 -0.90 1.72 0.02 -1.07 -2.33 113.55 111.36 3kp1 h SER 323 Ca 0.15 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3kp1 h SER 323 Cb 0.05 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3kp1 h SER 323 CO -0.10 0.01 0.56 0.50 -1.14 0.00 0.00 176.83 176.66 3kp1 h LYS 324 N 0.11 1.21 0.00 3.45 1.63 -0.75 -1.55 116.57 120.67 3kp1 h LYS 324 Ca 0.12 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3kp1 h LYS 324 Cb 0.13 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3kp1 h LYS 324 CO -0.17 0.83 0.00 -0.07 -3.45 0.00 0.00 179.45 176.59 3kp1 h LEU 325 N 1.23 0.00 0.00 5.20 3.38 -0.71 -3.43 115.31 120.98 3kp1 h LEU 325 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kp1 h LEU 325 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kp1 h LEU 325 CO -0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.82 3kp1 n THR 326 N -2.30 0.00 -3.61 0.22 -2.24 -0.71 -4.95 114.28 100.69 3kp1 n THR 326 Ca 0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 3kp1 n THR 326 Cb 0.28 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.03 0.83 -0.03 -0.78 3.52 -0.67 -5.02 118.95 117.83 3kp1 s ARG 327 Ca 0.00 0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 56.40 3kp1 s ARG 327 Cb 0.00 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 3kp1 s ARG 327 CO 0.00 -0.14 0.04 0.00 -0.81 0.00 0.00 175.30 174.40 3kp1 s ALA 328 N 0.07 0.21 -0.06 6.12 0.00 -1.26 -4.85 121.76 121.99 3kp1 s ALA 328 Ca -0.01 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 3kp1 s ALA 328 Cb -0.04 -0.49 -0.28 0.00 0.00 0.00 0.00 23.12 22.31 3kp1 s ALA 328 CO 0.02 -0.34 0.62 -0.44 0.00 0.00 0.00 175.76 175.61 3kp1 h ASP 329 N 8.00 0.46 -3.60 0.00 3.32 -1.39 -3.41 116.42 119.79 3kp1 h ASP 329 Ca -0.25 -0.78 -0.68 0.00 0.02 0.00 0.00 57.03 55.34 3kp1 h ASP 329 Cb 1.12 -0.15 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 3kp1 h ASP 329 CO 0.28 1.67 -0.85 -0.63 -1.72 0.00 0.00 179.24 178.00 3kp1 s ILE 330 N -2.58 2.35 -0.35 0.35 1.01 -0.83 -2.08 121.20 119.06 3kp1 s ILE 330 Ca -0.15 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 3kp1 s ILE 330 Cb 0.06 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.70 3kp1 s ILE 330 CO 0.83 0.56 0.08 -1.58 0.00 0.00 0.00 174.94 174.83 3kp1 s GLN 331 N 0.10 2.19 0.63 2.79 2.00 0.56 -0.88 119.66 127.05 3kp1 s GLN 331 Ca -0.10 -1.53 -0.08 0.00 -2.00 0.00 0.00 55.36 51.65 3kp1 s GLN 331 Cb -0.16 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.32 3kp1 s GLN 331 CO 0.06 -0.82 0.97 -1.12 -0.50 0.00 0.00 175.29 173.88 3kp1 s SER 332 N 1.44 5.61 0.11 6.67 0.01 0.22 -1.98 113.70 125.78 3kp1 s SER 332 Ca 0.01 0.91 0.05 0.00 1.31 0.00 0.00 55.95 58.24 3kp1 s SER 332 Cb -0.21 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 3kp1 s SER 332 CO -0.03 -1.13 -0.13 0.42 0.41 0.00 0.00 173.24 172.79 3kp1 s THR 333 N -3.12 1.19 -0.07 1.44 -4.23 -1.09 -4.22 115.64 105.54 3kp1 s THR 333 Ca 0.55 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 3kp1 s THR 333 Cb -0.11 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 3kp1 s THR 333 CO 0.48 -0.43 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.28 3kp1 s ILE 334 N -2.11 2.36 0.29 2.99 -1.09 -1.26 -4.56 121.20 117.81 3kp1 s ILE 334 Ca 0.06 -0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 57.24 3kp1 s ILE 334 Cb -0.05 -1.89 -0.10 0.00 -1.58 0.00 0.00 42.46 38.84 3kp1 s ILE 334 CO 0.02 0.57 1.21 0.42 -1.23 0.00 0.00 174.94 175.93 3kp1 s THR 335 N -0.16 3.14 -0.79 2.92 -4.23 -1.26 -4.79 115.64 110.46 3kp1 s THR 335 Ca -0.03 1.12 0.17 0.00 -1.18 0.00 0.00 61.69 61.77 3kp1 s THR 335 Cb -0.14 -3.71 0.16 0.00 1.34 0.00 0.00 72.50 70.15 3kp1 s THR 335 CO 0.04 0.25 1.53 -0.81 -0.54 0.00 0.00 174.62 175.09 3kp1 n PRO 336 N 1.22 0.07 -0.11 3.99 -0.04 -1.26 -1.62 135.00 137.26 3kp1 n PRO 336 Ca 0.00 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3kp1 n PRO 336 Cb 0.43 -1.64 0.32 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.78 2.10 0.25 3.54 5.75 -1.26 -4.12 116.55 121.02 3kp1 n ASP 337 Ca 0.03 -1.80 0.07 0.00 -0.01 0.00 0.00 54.79 53.08 3kp1 n ASP 337 Cb 0.18 -0.15 0.60 0.00 -1.03 0.00 0.00 41.12 40.72 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 2.73 0.00 -0.03 0.11 4.22 -1.50 0.77 114.58 120.89 3kp1 h GLU 338 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kp1 h GLU 338 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3kp1 h GLU 338 CO 0.00 0.06 0.00 0.41 -2.18 0.00 0.00 179.01 177.30 3kp1 n GLY 339 N -1.35 -0.26 0.01 1.92 0.00 -1.25 -4.27 105.19 99.99 3kp1 n GLY 339 Ca -0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.14 0.71 -3.82 1.61 0.63 0.13 -4.20 116.66 111.59 3kp1 n ARG 340 Ca 0.20 0.01 -0.07 0.00 -0.92 0.00 0.00 57.85 57.07 3kp1 n ARG 340 Cb 0.28 -1.05 -0.02 0.00 0.45 0.00 0.00 32.46 32.12 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 -4.07 -0.29 0.28 6.15 4.22 -0.42 -4.93 114.94 115.88 3kp1 s ASN 341 Ca -0.03 -0.55 -0.30 0.00 -2.14 0.00 0.00 52.86 49.85 3kp1 s ASN 341 Cb 0.01 0.71 -0.10 0.00 1.28 0.00 0.00 41.25 43.15 3kp1 s ASN 341 CO 0.06 -1.31 1.46 -0.69 -2.04 0.00 0.00 177.10 174.58 3kp1 s VAL 342 N -3.89 2.48 0.24 3.54 1.01 -1.26 -4.33 120.40 118.18 3kp1 s VAL 342 Ca 0.10 0.42 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 3kp1 s VAL 342 Cb -0.05 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 3kp1 s VAL 342 CO 0.05 0.08 1.57 -2.65 0.00 0.00 0.00 175.10 174.15 3kp1 n PRO 343 N 1.86 2.44 -3.53 2.72 -0.02 -1.26 -4.99 135.00 132.22 3kp1 n PRO 343 Ca 0.05 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.12 3kp1 n PRO 343 Cb 0.40 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.41 3.48 0.23 6.00 0.51 -1.26 -4.85 118.94 123.45 3kp1 s TRP 344 Ca 0.70 0.52 -0.17 0.00 -2.12 0.00 0.00 56.10 55.03 3kp1 s TRP 344 Cb -0.57 -2.00 0.25 0.00 -0.81 0.00 0.00 33.47 30.34 3kp1 s TRP 344 CO 0.43 0.29 1.56 0.45 -0.51 0.00 0.00 176.95 179.17 3kp1 h HIS 345 N 1.98 -0.96 0.00 -1.98 3.86 -1.52 -1.71 115.15 114.81 3kp1 h HIS 345 Ca -0.48 0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 58.81 3kp1 h HIS 345 Cb 1.19 0.56 -0.00 0.00 1.06 0.00 0.00 27.41 30.21 3kp1 h HIS 345 CO 0.57 -0.40 -0.11 -0.84 0.86 0.00 0.00 177.93 178.01 3kp1 h ILE 346 N -0.03 0.53 0.00 2.45 3.07 -1.95 -2.53 117.51 119.04 3kp1 h ILE 346 Ca 0.34 -0.51 -0.21 0.00 1.55 0.00 0.00 64.86 66.04 3kp1 h ILE 346 Cb 0.60 1.33 -0.03 0.00 -0.27 0.00 0.00 36.82 38.45 3kp1 h ILE 346 CO -0.93 0.11 -1.32 1.88 -1.05 0.00 0.00 178.15 176.83 3kp1 h TYR 347 N 0.00 0.00 -0.69 0.16 0.05 -1.72 -0.34 116.97 114.43 3kp1 h TYR 347 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3kp1 h TYR 347 Cb 0.33 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 3kp1 h TYR 347 CO 0.00 0.78 0.44 -0.91 -1.05 0.00 0.00 178.16 177.43 3kp1 h ASN 348 N 0.00 0.74 -0.27 3.88 4.21 -1.19 -1.27 115.58 121.67 3kp1 h ASN 348 Ca -0.16 -0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.21 3kp1 h ASN 348 Cb 1.74 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.76 3kp1 h ASN 348 CO 0.07 0.52 -0.33 0.40 -1.29 0.00 0.00 177.43 176.80 3kp1 h ILE 349 N 0.88 1.28 -0.66 2.81 5.03 -1.38 -1.36 117.51 124.12 3kp1 h ILE 349 Ca 0.27 -1.49 0.09 0.00 -0.12 0.00 0.00 64.86 63.61 3kp1 h ILE 349 Cb -0.02 1.36 -0.07 0.00 -3.03 0.00 0.00 36.82 35.06 3kp1 h ILE 349 CO -0.09 0.49 0.30 -0.33 -0.68 0.00 0.00 178.15 177.84 3kp1 h GLU 350 N 0.67 0.51 -0.39 2.37 5.08 -0.90 -0.57 114.58 121.34 3kp1 h GLU 350 Ca 0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3kp1 h GLU 350 Cb 0.88 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3kp1 h GLU 350 CO 0.08 0.34 0.03 0.00 -1.00 0.00 0.00 179.01 178.46 3kp1 h ALA 351 N 1.41 0.52 -0.58 3.43 0.00 -0.80 0.77 119.26 124.01 3kp1 h ALA 351 Ca 0.32 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kp1 h ALA 351 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3kp1 h ALA 351 CO -0.27 0.26 0.36 0.00 0.00 0.00 0.00 179.25 179.60 3kp1 h ASP 353 N 0.70 0.72 -0.64 0.00 3.32 -0.77 -2.58 116.42 117.17 3kp1 h ASP 353 Ca 0.23 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3kp1 h ASP 353 Cb 0.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3kp1 h ASP 353 CO -0.10 0.80 0.28 0.74 -1.72 0.00 0.00 179.24 179.25 3kp1 h THR 354 N 0.61 1.23 -0.30 0.35 2.02 -0.71 0.22 112.91 116.32 3kp1 h THR 354 Ca 0.13 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3kp1 h THR 354 Cb 0.40 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3kp1 h THR 354 CO 0.01 0.28 0.11 0.00 0.37 0.00 0.00 175.52 176.29 3kp1 h ALA 355 N 1.12 0.39 -0.09 6.16 0.00 -1.24 -1.02 119.26 124.58 3kp1 h ALA 355 Ca 0.22 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 3kp1 h ALA 355 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kp1 h ALA 355 CO -0.02 0.00 -0.80 1.57 0.00 0.00 0.00 179.25 180.01 3kp1 h LYS 356 N 0.34 0.57 -0.09 0.00 2.10 -1.23 -2.10 116.57 116.16 3kp1 h LYS 356 Ca 0.10 -0.49 0.02 0.00 -2.00 0.00 0.00 60.65 58.28 3kp1 h LYS 356 Cb 0.20 0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 3kp1 h LYS 356 CO -0.01 1.11 -0.03 0.37 -2.00 0.00 0.00 179.45 178.89 3kp1 h GLN 357 N 0.37 -0.02 -0.29 0.07 4.15 -0.45 -0.45 115.11 118.50 3kp1 h GLN 357 Ca -0.05 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 3kp1 h GLN 357 Cb 1.40 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 3kp1 h GLN 357 CO 0.15 -0.01 -0.14 0.00 -1.93 0.00 0.00 178.83 176.89 3kp1 h ALA 358 N 1.06 0.41 -0.70 3.38 0.00 -1.21 -0.73 119.26 121.47 3kp1 h ALA 358 Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3kp1 h ALA 358 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 358 CO -0.10 0.30 0.23 -0.07 0.00 0.00 0.00 179.25 179.61 3kp1 h LEU 359 N 0.36 1.01 -0.29 0.00 3.38 -1.31 -2.00 115.31 116.46 3kp1 h LEU 359 Ca 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3kp1 h LEU 359 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kp1 h LEU 359 CO 0.04 0.94 0.03 0.40 0.09 0.00 0.00 178.44 179.94 3kp1 h ILE 360 N 1.02 1.24 -1.14 1.22 1.08 -1.05 -1.95 117.51 117.94 3kp1 h ILE 360 Ca 0.23 -0.85 0.32 0.00 -0.39 0.00 0.00 64.86 64.17 3kp1 h ILE 360 Cb 0.28 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 35.18 3kp1 h ILE 360 CO -0.01 0.27 0.74 1.23 -0.69 0.00 0.00 178.15 179.70 3kp1 h GLY 361 N 0.29 1.09 -3.34 5.37 0.00 -0.94 0.06 103.07 105.59 3kp1 h GLY 361 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3kp1 h GLY 361 CO 0.01 -0.19 0.02 1.03 0.00 0.00 0.00 176.54 177.41 3kp1 n MET 362 N -4.59 4.46 -1.79 4.80 2.81 -0.76 -4.97 117.12 117.09 3kp1 n MET 362 Ca 0.29 -2.86 -0.42 0.00 -1.81 0.00 0.00 57.70 52.90 3kp1 n MET 362 Cb 1.08 -2.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.36 3kp1 n MET 362 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3kp1 s ASP 363 N -0.72 6.44 0.00 7.83 2.15 0.00 -1.53 116.67 130.85 3kp1 s ASP 363 Ca 0.50 2.79 0.00 0.00 0.43 0.00 0.00 52.55 56.26 3kp1 s ASP 363 Cb 0.38 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3kp1 s ASP 363 CO 0.14 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 3kp1 n GLY 364 N 3.93 0.33 0.32 2.66 0.00 -1.26 -4.90 105.19 106.27 3kp1 n GLY 364 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.66 0.00 0.99 5.85 -1.65 -0.66 115.31 120.49 3kp1 h LEU 365 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kp1 h LEU 365 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3kp1 h LEU 365 CO 0.00 0.31 0.00 0.23 -0.34 0.00 0.00 178.44 178.64 3kp1 n MET 366 N -4.79 0.61 0.06 1.25 2.81 -1.26 -0.84 117.12 114.95 3kp1 n MET 366 Ca 0.17 0.02 0.13 0.00 -1.81 0.00 0.00 57.70 56.21 3kp1 n MET 366 Cb 0.40 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.08 0.57 0.00 7.83 8.00 -0.25 -4.22 116.55 127.40 3kp1 n ASP 367 Ca 0.15 0.35 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3kp1 n ASP 367 Cb 0.11 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.97 4.65 -4.30 -1.24 2.81 -0.02 -5.03 117.12 112.02 3kp1 n MET 368 Ca 0.05 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.76 3kp1 n MET 368 Cb 0.40 -0.66 -0.13 0.00 -0.71 0.00 0.00 33.22 32.12 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 -1.30 0.86 0.08 2.03 1.01 -0.55 -5.14 120.40 117.39 3kp1 s VAL 369 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kp1 s VAL 369 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3kp1 s VAL 369 CO 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 175.10 175.13 3kp1 s GLN 370 N -0.90 0.73 0.34 2.72 -2.07 -1.26 -4.47 119.66 114.75 3kp1 s GLN 370 Ca 0.00 -1.24 -0.26 0.00 -1.82 0.00 0.00 55.36 52.04 3kp1 s GLN 370 Cb -0.07 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 32.00 3kp1 s GLN 370 CO 0.01 -0.18 1.00 -0.51 -1.32 0.00 0.00 175.29 174.29 3kp1 s LEU 371 N -2.95 4.31 -1.26 2.60 1.43 -1.26 -4.96 118.68 116.59 3kp1 s LEU 371 Ca 0.11 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 55.05 3kp1 s LEU 371 Cb 0.07 -4.01 0.16 0.00 0.03 0.00 0.00 46.19 42.44 3kp1 s LEU 371 CO -0.07 -0.21 1.69 0.29 0.23 0.00 0.00 176.35 178.28 3kp1 n LYS 372 N 0.46 3.45 0.24 1.70 5.02 -1.26 -4.82 118.16 122.94 3kp1 n LYS 372 Ca 0.02 -3.61 0.10 0.00 -2.02 0.00 0.00 58.31 52.80 3kp1 n LYS 372 Cb 0.49 -3.03 0.59 0.00 -0.02 0.00 0.00 35.03 33.06 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 6.48 0.00 -6.01 1.97 9.65 -1.97 -3.38 114.38 121.11 3kp1 h ARG 373 Ca 0.37 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.65 3kp1 h ARG 373 Cb 0.75 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.29 3kp1 h ARG 373 CO 1.46 0.19 -0.36 -1.21 2.80 0.00 0.00 179.97 182.85 3kp1 s GLU 374 N -4.03 3.59 0.00 0.20 0.41 -1.26 -2.86 118.70 114.75 3kp1 s GLU 374 Ca -0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.43 3kp1 s GLU 374 Cb 0.12 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 3kp1 s GLU 374 CO 0.62 0.57 0.00 0.41 -0.49 0.00 0.00 175.26 176.38 3kp1 n GLY 375 N 0.63 -1.07 0.38 -1.39 0.00 -1.26 -4.70 105.19 97.79 3kp1 n GLY 375 Ca -0.07 -2.23 0.16 0.00 0.00 0.00 0.00 46.02 43.88 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 0.75 -0.12 1.61 3.04 -1.93 0.91 116.25 120.51 3kp1 h VAL 376 Ca 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3kp1 h VAL 376 Cb 0.00 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 29.43 3kp1 h VAL 376 CO 0.00 0.10 -0.08 0.25 -1.01 0.00 0.00 177.57 176.83 3kp1 h LEU 377 N 0.52 -0.24 -1.15 3.16 5.85 -1.86 -1.32 115.31 120.28 3kp1 h LEU 377 Ca 0.45 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.19 3kp1 h LEU 377 Cb 0.95 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3kp1 h LEU 377 CO -0.19 -0.10 0.15 1.23 -0.34 0.00 0.00 178.44 179.19 3kp1 h GLY 378 N -0.08 0.81 0.94 3.75 0.00 -0.69 -0.75 103.07 107.05 3kp1 h GLY 378 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3kp1 h GLY 378 CO -0.17 0.41 0.15 -0.55 0.00 0.00 0.00 176.54 176.38 3kp1 h ASP 379 N 0.74 0.40 -0.20 0.19 3.32 -0.96 -2.06 116.42 117.84 3kp1 h ASP 379 Ca 0.17 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3kp1 h ASP 379 Cb 0.23 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kp1 h ASP 379 CO -0.01 0.40 -0.39 0.74 -1.72 0.00 0.00 179.24 178.26 3kp1 h THR 380 N 0.36 1.29 -0.44 0.35 2.02 -1.01 -1.58 112.91 113.90 3kp1 h THR 380 Ca 0.11 -1.56 0.03 0.00 0.77 0.00 0.00 66.41 65.75 3kp1 h THR 380 Cb 0.11 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3kp1 h THR 380 CO -0.01 0.51 0.24 0.58 0.37 0.00 0.00 175.52 177.21 3kp1 h VAL 381 N 0.61 1.02 -0.52 3.16 2.07 -1.09 -0.86 116.25 120.63 3kp1 h VAL 381 Ca 0.05 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3kp1 h VAL 381 Cb 0.94 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3kp1 h VAL 381 CO 0.09 0.09 0.13 -0.09 0.02 0.00 0.00 177.57 177.80 3kp1 h ARG 382 N 0.49 0.83 -0.39 1.57 9.65 -1.16 -2.57 114.38 122.79 3kp1 h ARG 382 Ca 0.18 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3kp1 h ARG 382 Cb 0.04 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 3kp1 h ARG 382 CO -0.10 0.79 0.23 1.49 2.80 0.00 0.00 179.97 185.18 3kp1 h GLU 383 N 0.72 0.45 -0.76 0.20 4.81 -0.99 -1.20 114.58 117.81 3kp1 h GLU 383 Ca 0.16 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3kp1 h GLU 383 Cb 0.33 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3kp1 h GLU 383 CO 0.00 0.30 0.39 -0.07 -0.73 0.00 0.00 179.01 178.90 3kp1 h LEU 384 N 0.46 0.96 -0.53 1.64 3.38 -1.04 -0.59 115.31 119.59 3kp1 h LEU 384 Ca 0.16 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3kp1 h LEU 384 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3kp1 h LEU 384 CO -0.08 0.79 0.04 0.11 0.09 0.00 0.00 178.44 179.39 3kp1 h LYS 385 N 1.07 0.92 -0.34 1.13 1.57 -1.16 -2.03 116.57 117.73 3kp1 h LYS 385 Ca 0.27 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3kp1 h LYS 385 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kp1 h LYS 385 CO -0.04 0.92 0.11 0.93 -0.57 0.00 0.00 179.45 180.80 3kp1 h GLU 386 N 0.80 0.53 -0.78 3.15 5.08 -0.71 -1.30 114.58 121.34 3kp1 h GLU 386 Ca 0.16 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3kp1 h GLU 386 Cb 0.48 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3kp1 h GLU 386 CO 0.02 0.56 0.48 0.00 -1.00 0.00 0.00 179.01 179.07 3kp1 h ARG 387 N 0.40 0.86 -0.49 2.33 3.08 -1.04 -0.44 114.38 119.06 3kp1 h ARG 387 Ca 0.11 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3kp1 h ARG 387 Cb 0.25 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kp1 h ARG 387 CO -0.00 0.57 0.07 0.00 -1.07 0.00 0.00 179.97 179.54 3kp1 h ALA 388 N 1.37 0.66 -0.43 0.04 0.00 -1.18 -1.18 119.26 118.53 3kp1 h ALA 388 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kp1 h ALA 388 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kp1 h ALA 388 CO -0.16 0.39 0.21 0.28 0.00 0.00 0.00 179.25 179.98 3kp1 h VAL 389 N 0.69 1.18 -0.68 0.00 2.07 -0.89 -2.17 116.25 116.45 3kp1 h VAL 389 Ca 0.15 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3kp1 h VAL 389 Cb 0.41 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3kp1 h VAL 389 CO 0.01 0.19 0.45 -0.07 0.02 0.00 0.00 177.57 178.17 3kp1 h LEU 390 N 0.56 0.71 -0.36 2.57 3.38 -0.91 -0.94 115.31 120.32 3kp1 h LEU 390 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3kp1 h LEU 390 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kp1 h LEU 390 CO -0.02 0.49 0.18 0.15 0.09 0.00 0.00 178.44 179.32 3kp1 h PHE 391 N 0.82 0.51 -0.21 1.13 -0.00 -0.66 -1.53 116.94 117.00 3kp1 h PHE 391 Ca 0.27 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 58.10 3kp1 h PHE 391 Cb 0.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 35.95 35.85 3kp1 h PHE 391 CO -0.00 0.43 -0.38 0.52 -0.00 0.00 0.00 178.31 178.88 3kp1 h MET 392 N 0.44 0.48 -0.87 1.11 2.86 -0.80 -1.99 114.93 116.16 3kp1 h MET 392 Ca 0.12 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3kp1 h MET 392 Cb 0.11 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3kp1 h MET 392 CO -0.02 0.79 0.55 0.93 1.06 0.00 0.00 176.91 180.22 3kp1 h GLU 393 N 0.40 1.01 -0.15 1.72 5.08 -0.90 -2.14 114.58 119.60 3kp1 h GLU 393 Ca 0.04 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3kp1 h GLU 393 Cb 0.85 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3kp1 h GLU 393 CO 0.07 0.67 -0.57 1.49 -1.00 0.00 0.00 179.01 179.67 3kp1 h GLU 394 N 1.04 0.47 -0.39 2.33 4.81 -0.88 0.11 114.58 122.07 3kp1 h GLU 394 Ca 0.36 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3kp1 h GLU 394 Cb 0.09 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3kp1 h GLU 394 CO -0.14 0.91 0.12 0.82 -0.73 0.00 0.00 179.01 179.99 3kp1 h ILE 395 N 0.36 0.87 -0.47 2.32 2.04 -1.17 0.10 117.51 121.56 3kp1 h ILE 395 Ca 0.00 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3kp1 h ILE 395 Cb 1.11 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3kp1 h ILE 395 CO 0.10 0.05 0.26 0.40 0.00 0.00 0.00 178.15 178.96 3kp1 h ILE 396 N 0.28 1.16 0.00 -0.67 2.04 -1.18 -0.13 117.51 119.01 3kp1 h ILE 396 Ca 0.18 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3kp1 h ILE 396 Cb 0.17 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3kp1 h ILE 396 CO -0.19 0.17 -0.09 -0.08 0.00 0.00 0.00 178.15 177.96 3kp1 h GLU 397 N 0.62 0.00 0.00 2.37 4.81 -0.54 -1.53 114.58 120.31 3kp1 h GLU 397 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3kp1 h GLU 397 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3kp1 h GLU 397 CO -0.03 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3kp1 n ALA 398 N -2.52 2.36 0.00 2.92 0.00 0.32 -4.86 120.51 118.74 3kp1 n ALA 398 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kp1 n ALA 398 Cb 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.02 0.87 0.00 0.00 0.00 -0.57 -4.67 105.19 101.84 3kp1 n GLY 399 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.78 -0.30 0.09 -0.02 0.00 -0.12 -4.71 105.19 98.35 3kp1 n GLY 400 Ca 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.13 -0.50 1.61 3.20 -1.96 -1.50 116.97 117.70 3kp1 h TYR 401 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 3kp1 h TYR 401 Cb 0.00 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 3kp1 h TYR 401 CO 0.00 -0.02 0.15 0.74 -1.64 0.00 0.00 178.16 177.39 3kp1 h PHE 402 N -0.21 0.26 -0.60 -3.82 0.04 -1.96 -0.72 116.94 109.94 3kp1 h PHE 402 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 3kp1 h PHE 402 Cb 0.17 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3kp1 h PHE 402 CO -0.05 0.06 0.17 -0.91 -0.60 0.00 0.00 178.31 176.98 3kp1 h ASN 403 N 0.31 0.88 -0.55 2.17 2.35 -1.80 -1.52 115.58 117.42 3kp1 h ASN 403 Ca 0.25 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3kp1 h ASN 403 Cb 0.29 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3kp1 h ASN 403 CO -0.28 0.87 0.36 0.00 -1.65 0.00 0.00 177.43 176.73 3kp1 h ALA 404 N 1.05 0.70 -0.48 -0.83 0.00 -0.68 -0.08 119.26 118.93 3kp1 h ALA 404 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kp1 h ALA 404 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kp1 h ALA 404 CO -0.00 0.14 0.22 0.28 0.00 0.00 0.00 179.25 179.89 3kp1 h VAL 405 N 0.74 1.20 -0.52 0.00 2.07 -0.97 -1.92 116.25 116.85 3kp1 h VAL 405 Ca 0.20 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kp1 h VAL 405 Cb -0.08 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3kp1 h VAL 405 CO -0.04 0.22 0.29 -0.33 0.02 0.00 0.00 177.57 177.72 3kp1 h GLU 406 N 0.64 0.70 -0.21 1.57 5.08 -0.78 -1.81 114.58 119.77 3kp1 h GLU 406 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kp1 h GLU 406 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kp1 h GLU 406 CO -0.02 0.52 0.00 1.04 -1.00 0.00 0.00 179.01 179.55 3kp1 n GLN 407 N -4.41 1.42 -2.58 2.33 6.02 -0.09 -4.58 117.38 115.50 3kp1 n GLN 407 Ca 0.04 -0.62 -0.13 0.00 -0.01 0.00 0.00 57.00 56.29 3kp1 n GLN 407 Cb 0.09 -1.16 0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 0.74 -0.03 0.24 1.08 0.00 -0.69 -4.92 105.19 101.61 3kp1 n GLY 408 Ca 0.06 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.60 0.00 -2.90 1.61 -1.00 -1.56 -3.38 116.94 109.11 3kp1 h PHE 409 Ca -0.30 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.88 3kp1 h PHE 409 Cb 1.21 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.70 3kp1 h PHE 409 CO 0.30 0.18 -0.57 -0.06 -1.61 0.00 0.00 178.31 176.55 3kp1 s PHE 410 N -4.25 3.22 -1.73 -0.55 0.08 -1.26 -4.31 117.98 109.18 3kp1 s PHE 410 Ca -0.03 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.07 3kp1 s PHE 410 Cb 0.14 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 3kp1 s PHE 410 CO 0.63 0.52 0.00 0.28 -0.10 0.00 0.00 175.22 176.56 3kp1 n VAL 411 N 0.01 -0.14 -2.88 -0.44 0.31 -1.26 -1.23 118.33 112.70 3kp1 n VAL 411 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 3kp1 n VAL 411 Cb 0.53 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.55 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 -2.72 7.35 0.00 4.52 2.15 -1.26 -3.95 116.67 122.76 3kp1 s ASP 412 Ca 0.00 1.74 0.29 0.00 0.43 0.00 0.00 52.55 55.00 3kp1 s ASP 412 Cb 0.00 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.72 3kp1 s ASP 412 CO 0.00 0.05 2.03 -1.54 -0.17 0.00 0.00 175.17 175.54 3kp1 n SER 413 N 0.96 0.00 -4.88 -0.34 3.41 -1.26 -4.88 113.62 106.63 3kp1 n SER 413 Ca -0.01 -0.68 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 3kp1 n SER 413 Cb 0.49 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.16 1.62 -0.68 5.00 0.00 -1.26 -4.75 107.32 105.09 3kp1 s GLY 414 Ca 0.39 -0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.68 3kp1 s GLY 414 CO 0.36 0.05 0.99 -0.47 0.00 0.00 0.00 173.10 174.03 3kp1 s TYR 415 N -3.09 2.67 0.18 1.90 5.04 -1.25 -4.71 117.35 118.08 3kp1 s TYR 415 Ca 0.53 -0.56 -0.33 0.00 -2.44 0.00 0.00 57.07 54.27 3kp1 s TYR 415 Cb -0.11 -4.32 -0.15 0.00 0.35 0.00 0.00 41.96 37.74 3kp1 s TYR 415 CO 0.52 -1.67 1.37 0.98 -1.34 0.00 0.00 175.55 175.41 3kp1 n TYR 416 N 7.77 1.85 1.75 4.97 9.36 -1.26 -1.19 117.16 140.40 3kp1 n TYR 416 Ca -0.02 0.50 0.12 0.00 3.32 0.00 0.00 57.90 61.82 3kp1 n TYR 416 Cb 0.46 -2.41 0.62 0.00 -0.63 0.00 0.00 39.34 37.38 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 2.36 1.27 -1.63 2.98 -0.04 -1.26 -4.87 135.00 133.81 3kp1 n PRO 417 Ca 0.15 -0.40 -0.48 0.00 -0.04 0.00 0.00 63.50 62.73 3kp1 n PRO 417 Cb 0.27 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 3kp1 n PRO 417 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kp1 n GLU 418 N -0.45 1.63 -3.93 0.54 1.02 -0.33 -4.98 120.64 114.14 3kp1 n GLU 418 Ca 0.18 0.58 -0.27 0.00 -0.02 0.00 0.00 57.16 57.63 3kp1 n GLU 418 Cb 0.18 -2.25 -0.17 0.00 -0.02 0.00 0.00 31.44 29.18 3kp1 n GLU 418 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3kp1 s ARG 419 N 0.37 1.62 0.00 3.49 3.52 -1.26 -3.93 118.95 122.76 3kp1 s ARG 419 Ca 0.78 -0.29 0.25 0.00 -0.13 0.00 0.00 55.73 56.34 3kp1 s ARG 419 Cb -0.80 -1.65 0.45 0.00 -1.56 0.00 0.00 34.95 31.40 3kp1 s ARG 419 CO 0.45 -0.26 1.38 0.09 -0.81 0.00 0.00 175.30 176.15 3kp1 n ASN 420 N 4.91 0.53 -0.23 -2.12 3.02 -1.26 -4.95 115.26 115.16 3kp1 n ASN 420 Ca -0.13 -0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 54.11 3kp1 n ASN 420 Cb 0.50 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.50 0.51 0.30 7.41 0.00 -1.26 -4.94 105.19 108.70 3kp1 n GLY 421 Ca 0.05 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 1.54 2.75 -3.62 1.61 5.68 -1.26 -5.05 116.55 118.20 3kp1 n ASP 422 Ca -0.03 -2.96 -0.30 0.00 -0.50 0.00 0.00 54.79 51.00 3kp1 n ASP 422 Cb 0.20 -0.42 0.25 0.00 -1.14 0.00 0.00 41.12 40.00 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 -2.44 1.60 -0.30 6.12 0.00 -1.25 -4.67 107.32 106.37 3kp1 s GLY 423 Ca 0.32 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.84 3kp1 s GLY 423 CO 0.05 -0.14 0.20 -0.42 0.00 0.00 0.00 173.10 172.78 3kp1 s ILE 424 N -3.04 5.17 -0.27 0.90 -1.09 -0.36 -4.89 121.20 117.61 3kp1 s ILE 424 Ca 0.72 -0.04 -0.13 0.00 -2.23 0.00 0.00 60.65 58.97 3kp1 s ILE 424 Cb -0.07 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 3kp1 s ILE 424 CO 0.56 0.15 0.30 0.00 -1.23 0.00 0.00 174.94 174.71 3kp1 s ALA 425 N 1.72 3.55 -0.00 9.38 0.00 -1.26 -4.49 121.76 130.66 3kp1 s ALA 425 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3kp1 s ALA 425 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3kp1 s ALA 425 CO 0.10 -0.60 0.05 1.03 0.00 0.00 0.00 175.76 176.34 3kp1 s ARG 426 N 1.92 2.97 -0.08 0.00 1.81 -1.19 -4.98 118.95 119.41 3kp1 s ARG 426 Ca 0.12 -0.53 -0.21 0.00 -1.72 0.00 0.00 55.73 53.39 3kp1 s ARG 426 Cb -0.16 -2.80 -0.04 0.00 -0.45 0.00 0.00 34.95 31.51 3kp1 s ARG 426 CO 0.10 0.64 0.60 -0.65 -0.68 0.00 0.00 175.30 175.31 3kp1 s GLN 427 N -1.69 4.38 0.53 3.54 1.11 -1.26 -3.36 119.66 122.91 3kp1 s GLN 427 Ca 0.22 0.69 0.26 0.00 0.01 0.00 0.00 55.36 56.54 3kp1 s GLN 427 Cb -0.12 -3.43 1.40 0.00 -1.01 0.00 0.00 33.01 29.86 3kp1 s GLN 427 CO 0.13 0.14 1.98 0.97 0.01 0.00 0.00 175.29 178.51 3kp1 h ILE 428 N 4.66 0.70 -0.55 1.08 6.09 -1.99 -0.10 117.51 127.41 3kp1 h ILE 428 Ca -0.42 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 3kp1 h ILE 428 Cb 1.19 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.17 3kp1 h ILE 428 CO 0.75 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 175.37 3kp1 n ASN 429 N -4.36 3.79 -1.50 2.19 6.94 -1.26 -4.63 115.26 116.42 3kp1 n ASN 429 Ca 0.11 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3kp1 n ASN 429 Cb 0.67 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 3kp1 n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kp1 n GLY 430 N 0.97 4.32 0.00 4.83 0.00 -0.05 -4.81 105.19 110.46 3kp1 n GLY 430 Ca 0.20 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 3.07 -1.93 3.70 -0.02 0.00 -1.26 -4.12 105.19 104.64 3kp1 n GLY 431 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.09 2.62 0.00 -0.61 -1.09 -0.08 -2.07 121.20 117.88 3kp1 s ILE 432 Ca 0.00 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3kp1 s ILE 432 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3kp1 s ILE 432 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3kp1 n GLY 433 N 4.00 0.64 3.73 6.18 0.00 -1.26 -0.60 105.19 117.88 3kp1 n GLY 433 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 n ALA 434 N 0.14 2.27 -0.64 4.61 0.00 -0.88 -2.30 120.51 123.71 3kp1 n ALA 434 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kp1 n ALA 434 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 3kp1 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 435 N 2.23 0.67 1.05 0.00 0.00 -1.26 -4.93 105.19 102.95 3kp1 n GLY 435 Ca 0.09 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.64 2.04 -3.58 2.61 -2.24 -0.97 -4.96 114.28 104.54 3kp1 n THR 436 Ca 0.00 -1.57 -0.37 0.00 -2.27 0.00 0.00 64.05 59.84 3kp1 n THR 436 Cb 0.00 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.35 5.22 -0.05 2.28 1.01 -1.26 -5.03 120.40 120.22 3kp1 s VAL 437 Ca 0.41 0.63 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3kp1 s VAL 437 Cb 0.31 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3kp1 s VAL 437 CO 0.13 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.27 3kp1 s PHE 438 N -0.49 1.30 0.38 5.22 0.08 -1.26 -5.13 117.98 118.09 3kp1 s PHE 438 Ca 0.20 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.57 3kp1 s PHE 438 Cb -0.14 -0.94 -0.09 0.00 -0.57 0.00 0.00 43.02 41.27 3kp1 s PHE 438 CO 0.08 -0.19 1.32 -2.00 -0.10 0.00 0.00 175.22 174.33 3kp1 s GLU 439 N 0.42 4.09 0.03 0.44 2.12 -1.26 -4.99 118.70 119.54 3kp1 s GLU 439 Ca -0.09 2.21 -0.28 0.00 0.36 0.00 0.00 54.97 57.18 3kp1 s GLU 439 Cb -0.13 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 3kp1 s GLU 439 CO 0.02 -0.41 0.89 1.03 -0.54 0.00 0.00 175.26 176.25 3kp1 s ARG 440 N -2.10 4.57 0.82 4.30 0.52 -1.26 -5.06 118.95 120.73 3kp1 s ARG 440 Ca 0.54 1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 56.91 3kp1 s ARG 440 Cb -0.39 -3.42 0.09 0.00 0.52 0.00 0.00 34.95 31.75 3kp1 s ARG 440 CO 0.51 0.10 1.18 -0.51 0.02 0.00 0.00 175.30 176.60 3kp1 s ASP 441 N 0.51 4.39 0.50 0.23 1.01 -1.26 -4.92 116.67 117.13 3kp1 s ASP 441 Ca 0.46 0.69 0.19 0.00 0.71 0.00 0.00 52.55 54.60 3kp1 s ASP 441 Cb -0.21 -1.15 1.26 0.00 1.01 0.00 0.00 42.92 43.83 3kp1 s ASP 441 CO 0.26 -1.97 2.05 -0.08 0.21 0.00 0.00 175.17 175.64 3kp1 h GLU 442 N -1.08 0.10 -0.61 8.23 4.22 -2.03 -1.88 114.58 121.54 3kp1 h GLU 442 Ca -0.46 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3kp1 h GLU 442 Cb 1.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3kp1 h GLU 442 CO 0.63 0.07 0.00 -0.40 -2.18 0.00 0.00 179.01 177.12 3kp1 n ASP 443 N -4.46 4.73 -4.67 1.04 5.75 -1.26 -4.74 116.55 112.93 3kp1 n ASP 443 Ca 0.05 -2.50 -0.44 0.00 -0.01 0.00 0.00 54.79 51.89 3kp1 n ASP 443 Cb 0.36 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.96 2.16 -3.82 2.11 9.36 -0.71 -4.83 117.16 122.39 3kp1 n TYR 444 Ca 0.25 0.48 -0.12 0.00 3.32 0.00 0.00 57.90 61.83 3kp1 n TYR 444 Cb 0.90 -2.44 -0.12 0.00 -0.63 0.00 0.00 39.34 37.05 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 -0.85 0.28 -0.14 2.98 1.75 -1.26 -0.80 119.30 121.26 3kp1 s MET 445 Ca 0.64 0.08 -0.04 0.00 -1.25 0.00 0.00 55.69 55.13 3kp1 s MET 445 Cb -0.63 0.13 0.05 0.00 2.84 0.00 0.00 34.83 37.22 3kp1 s MET 445 CO 0.53 -0.05 0.07 0.00 -0.65 0.00 0.00 175.02 174.93 3kp1 s ALA 446 N -0.28 0.44 -0.98 4.11 0.00 -1.26 -5.01 121.76 118.79 3kp1 s ALA 446 Ca -0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 3kp1 s ALA 446 Cb -0.03 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.22 3kp1 s ALA 446 CO 0.01 -0.98 2.64 -0.35 0.00 0.00 0.00 175.76 177.08 3kp1 n PRO 447 N 5.26 3.65 -4.07 0.00 -0.04 -1.26 -4.88 135.00 133.66 3kp1 n PRO 447 Ca -0.06 -2.84 -0.08 0.00 -0.04 0.00 0.00 63.50 60.47 3kp1 n PRO 447 Cb 0.49 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.10 0.16 0.44 0.52 -7.23 -1.26 -3.90 120.40 108.02 3kp1 s VAL 448 Ca 0.58 -1.73 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 3kp1 s VAL 448 Cb 0.26 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 3kp1 s VAL 448 CO -0.13 -0.73 1.05 -0.89 -0.31 0.00 0.00 175.10 174.09 3kp1 s THR 449 N -3.96 3.72 -0.75 5.32 2.01 -1.26 -4.31 115.64 116.41 3kp1 s THR 449 Ca 0.13 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.32 3kp1 s THR 449 Cb 0.07 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3kp1 s THR 449 CO -0.05 -0.10 0.64 0.00 -0.69 0.00 0.00 174.62 174.42 3kp1 n ALA 450 N -0.46 -0.96 -2.79 7.40 0.00 -1.26 -5.03 120.51 117.42 3kp1 n ALA 450 Ca 0.07 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3kp1 n ALA 450 Cb 0.51 -2.61 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 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 -3.20 3.22 -0.17 0.00 5.04 -1.26 -4.29 115.29 114.63 3kp1 s HIS 451 Ca 0.19 0.12 -0.23 0.00 -1.54 0.00 0.00 55.06 53.59 3kp1 s HIS 451 Cb -0.08 -1.92 -0.20 0.00 0.04 0.00 0.00 32.58 30.42 3kp1 s HIS 451 CO 0.43 0.33 0.44 0.35 -2.34 0.00 0.00 174.74 173.94 3kp1 h PHE 452 N 5.83 0.00 -3.31 3.88 3.57 -1.90 -3.49 116.94 121.51 3kp1 h PHE 452 Ca -0.44 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.75 3kp1 h PHE 452 Cb 1.19 0.00 0.13 0.00 2.79 0.00 0.00 35.95 40.05 3kp1 h PHE 452 CO 0.61 1.12 0.30 0.41 -2.23 0.00 0.00 178.31 178.51 3kp1 n GLY 453 N 1.54 -1.40 3.59 2.40 0.00 -1.26 -4.95 105.19 105.11 3kp1 n GLY 453 Ca -0.19 -1.70 -0.50 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.31 1.42 -3.43 1.61 9.36 -1.26 -4.96 117.16 116.59 3kp1 n TYR 454 Ca 0.12 0.65 -0.18 0.00 3.32 0.00 0.00 57.90 61.81 3kp1 n TYR 454 Cb 0.41 -2.31 -0.11 0.00 -0.63 0.00 0.00 39.34 36.70 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 0.21 1.66 -0.97 2.98 2.47 -1.26 -4.85 114.94 115.18 3kp1 s ASN 455 Ca 0.78 -0.60 -0.21 0.00 0.42 0.00 0.00 52.86 53.24 3kp1 s ASN 455 Cb -0.88 0.44 0.08 0.00 -1.45 0.00 0.00 41.25 39.44 3kp1 s ASN 455 CO 0.50 -0.37 1.31 0.21 -3.72 0.00 0.00 177.10 175.02 3kp1 s ASN 456 N 2.34 6.54 0.05 -4.21 3.84 0.02 -4.67 114.94 118.85 3kp1 s ASN 456 Ca 0.09 -1.66 0.20 0.00 0.21 0.00 0.00 52.86 51.70 3kp1 s ASN 456 Cb -0.15 -2.50 -0.16 0.00 -0.55 0.00 0.00 41.25 37.90 3kp1 s ASN 456 CO -0.27 -1.33 0.72 0.52 -2.79 0.00 0.00 177.10 173.95 3kp1 n VAL 457 N 6.29 0.73 -0.23 -5.21 0.31 -1.26 -4.26 118.33 114.70 3kp1 n VAL 457 Ca 0.28 -0.62 0.18 0.00 -0.01 0.00 0.00 64.34 64.17 3kp1 n VAL 457 Cb 0.50 -0.40 0.50 0.00 -0.91 0.00 0.00 33.84 33.54 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 0.00 0.41 0.00 5.55 1.57 -1.83 -0.64 116.57 121.63 3kp1 h LYS 458 Ca -0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kp1 h LYS 458 Cb 1.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3kp1 h LYS 458 CO 0.02 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 3kp1 n GLN 459 N -4.51 0.17 -0.05 3.15 10.64 -1.26 -3.11 117.38 122.41 3kp1 n GLN 459 Ca 0.19 0.56 -0.09 0.00 -1.83 0.00 0.00 57.00 55.82 3kp1 n GLN 459 Cb 0.66 -1.94 -0.04 0.00 -0.86 0.00 0.00 30.24 28.05 3kp1 n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kp1 n TYR 460 N -2.29 0.00 -3.15 2.61 4.01 -0.33 -5.03 117.16 112.99 3kp1 n TYR 460 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 3kp1 n TYR 460 Cb 0.12 -0.39 -0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 -5.41 -0.96 0.50 7.72 -1.08 -0.71 -5.02 116.67 111.71 3kp1 s ASP 461 Ca -0.14 0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.37 3kp1 s ASP 461 Cb 0.04 1.64 1.38 0.00 -1.46 0.00 0.00 42.92 44.53 3kp1 s ASP 461 CO 0.21 -0.18 1.85 1.05 0.52 0.00 0.00 175.17 178.63 3kp1 h GLU 462 N 7.68 0.12 0.00 4.34 4.11 -1.76 0.20 114.58 129.26 3kp1 h GLU 462 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3kp1 h GLU 462 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kp1 h GLU 462 CO 0.03 0.08 0.00 0.00 0.07 0.00 0.00 179.01 179.18 3kp1 h ALA 463 N 1.55 1.00 -0.73 1.06 0.00 -1.94 -3.04 119.26 117.15 3kp1 h ALA 463 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3kp1 h ALA 463 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3kp1 h ALA 463 CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3kp1 n LEU 464 N -2.72 4.19 -0.20 0.00 4.32 0.06 -4.44 117.00 118.21 3kp1 n LEU 464 Ca 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 56.01 53.83 3kp1 n LEU 464 Cb 0.22 -0.52 0.03 0.00 -1.62 0.00 0.00 43.42 41.53 3kp1 n LEU 464 CO 0.22 0.96 1.09 0.58 -1.22 0.00 0.00 177.39 179.02 3kp1 h VAL 465 N 4.32 1.16 0.00 4.08 2.07 -1.67 -2.28 116.25 123.93 3kp1 h VAL 465 Ca 0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3kp1 h VAL 465 Cb 1.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kp1 h VAL 465 CO 0.05 0.16 -0.20 0.77 0.02 0.00 0.00 177.57 178.37 3kp1 h SER 466 N 0.77 0.00 -2.34 0.57 4.64 -1.86 -3.33 113.55 112.00 3kp1 h SER 466 Ca 0.21 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.94 3kp1 h SER 466 Cb -0.04 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.67 3kp1 h SER 466 CO -0.04 0.20 -0.99 -0.62 -0.87 0.00 0.00 176.83 174.52 3kp1 n GLU 467 N -3.90 0.26 0.11 4.77 -0.58 -0.93 -5.00 120.64 115.37 3kp1 n GLU 467 Ca -0.02 -3.20 0.17 0.00 -0.42 0.00 0.00 57.16 53.69 3kp1 n GLU 467 Cb 0.29 -1.64 0.71 0.00 -0.57 0.00 0.00 31.44 30.23 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 5.47 0.00 0.00 3.49 0.11 -1.55 -1.98 132.00 137.54 3kp1 h PRO 468 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3kp1 h PRO 468 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3kp1 h PRO 468 CO 0.39 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.84 3kp1 h SER 469 N 0.00 0.00 0.03 -2.05 4.64 -1.76 -1.93 113.55 112.49 3kp1 h SER 469 Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3kp1 h SER 469 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3kp1 h SER 469 CO -0.00 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 176.06 3kp1 h LYS 470 N 0.00 0.00 -0.48 4.77 1.57 -1.66 0.14 116.57 120.91 3kp1 h LYS 470 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3kp1 h LYS 470 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3kp1 h LYS 470 CO 0.00 0.01 0.33 -0.07 -0.57 0.00 0.00 179.45 179.16 3kp1 h LEU 471 N 0.00 0.18 -3.03 2.94 -0.00 -1.57 -2.43 115.31 111.41 3kp1 h LEU 471 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3kp1 h LEU 471 Cb 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3kp1 h LEU 471 CO 0.00 0.11 0.00 2.30 -0.00 0.00 0.00 178.44 180.85 3kp1 n ILE 472 N -4.45 1.89 -3.35 1.22 -5.35 -0.20 -4.97 119.36 104.14 3kp1 n ILE 472 Ca 0.08 -2.15 -0.16 0.00 -0.27 0.00 0.00 62.75 60.25 3kp1 n ILE 472 Cb 0.41 -0.20 0.09 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.26 -2.07 0.00 7.28 8.00 -0.91 -4.81 116.55 122.77 3kp1 n ASP 473 Ca 0.16 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.07 3kp1 n ASP 473 Cb 0.65 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -1.12 -1.44 3.57 0.44 0.00 0.32 -4.97 105.19 101.99 3kp1 n GLY 474 Ca -0.27 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.18 0.19 0.00 0.00 1.35 -1.94 0.17 112.91 112.50 3kp1 h THR 476 Ca -0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.53 3kp1 h THR 476 Cb 1.13 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3kp1 h THR 476 CO 0.34 0.00 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.23 3kp1 h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.96 -3.14 115.31 117.46 3kp1 h LEU 477 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kp1 h LEU 477 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kp1 h LEU 477 CO -0.00 0.31 -2.07 -0.62 0.09 0.00 0.00 178.44 176.15 3kp1 n GLU 478 N -3.70 0.67 -3.55 1.13 4.71 0.33 -4.82 120.64 115.42 3kp1 n GLU 478 Ca -0.01 -0.15 -0.28 0.00 -0.01 0.00 0.00 57.16 56.71 3kp1 n GLU 478 Cb 0.42 -1.51 -0.11 0.00 -1.01 0.00 0.00 31.44 29.23 3kp1 n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kp1 s VAL 479 N -3.24 0.87 0.64 2.62 1.01 0.22 -4.97 120.40 117.55 3kp1 s VAL 479 Ca -0.08 -2.63 0.34 0.00 0.00 0.00 0.00 61.98 59.60 3kp1 s VAL 479 Cb 0.12 -1.61 0.37 0.00 0.00 0.00 0.00 36.38 35.26 3kp1 s VAL 479 CO 0.87 -1.07 2.14 -0.65 0.00 0.00 0.00 175.10 176.39 3kp1 h PRO 480 N 6.16 0.00 0.00 2.72 0.11 -1.82 -1.75 132.00 137.41 3kp1 h PRO 480 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kp1 h PRO 480 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kp1 h PRO 480 CO 0.42 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.14 3kp1 h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.94 -1.43 114.58 115.33 3kp1 h GLU 481 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3kp1 h GLU 481 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3kp1 h GLU 481 CO -0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3kp1 n LYS 482 N -2.49 0.00 -2.10 2.33 5.02 -0.66 -4.83 118.16 115.43 3kp1 n LYS 482 Ca 0.02 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3kp1 n LYS 482 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3kp1 n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kp1 s ILE 483 N -3.00 3.07 -0.31 -0.18 1.01 -0.54 -4.97 121.20 116.29 3kp1 s ILE 483 Ca 0.12 0.79 -0.19 0.00 0.00 0.00 0.00 60.65 61.37 3kp1 s ILE 483 Cb 0.17 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3kp1 s ILE 483 CO 0.47 0.07 0.57 -0.69 0.00 0.00 0.00 174.94 175.36 3kp1 s VAL 484 N 0.97 4.99 -0.26 2.92 1.01 -1.26 -5.03 120.40 123.74 3kp1 s VAL 484 Ca 0.65 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 3kp1 s VAL 484 Cb -0.39 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 3kp1 s VAL 484 CO 0.32 -0.12 0.16 -0.47 0.00 0.00 0.00 175.10 174.99 3kp1 s TYR 485 N 2.48 3.24 -0.18 5.22 5.04 -1.26 -5.06 117.35 126.83 3kp1 s TYR 485 Ca 0.22 0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.88 3kp1 s TYR 485 Cb -0.15 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 3kp1 s TYR 485 CO 0.12 -0.09 0.01 0.42 -1.34 0.00 0.00 175.55 174.67 3kp1 s ILE 486 N 1.41 4.26 -0.01 3.14 -1.09 -1.26 -5.03 121.20 122.62 3kp1 s ILE 486 Ca 0.07 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 3kp1 s ILE 486 Cb -0.15 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.82 3kp1 s ILE 486 CO 0.07 0.46 0.11 -0.78 -1.23 0.00 0.00 174.94 173.57 3kp1 h ASP 487 N 6.93 -0.02 -4.99 3.58 3.58 -1.98 -3.39 116.42 120.13 3kp1 h ASP 487 Ca -0.34 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.98 3kp1 h ASP 487 Cb 1.18 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.03 3kp1 h ASP 487 CO 0.65 0.05 -0.40 -1.61 -2.88 0.00 0.00 179.24 175.05 3kp1 s GLU 488 N -1.33 0.57 -0.00 0.28 0.41 -1.26 -3.57 118.70 113.79 3kp1 s GLU 488 Ca -0.00 -0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.27 3kp1 s GLU 488 Cb 0.00 0.24 -0.06 0.00 -1.78 0.00 0.00 34.13 32.54 3kp1 s GLU 488 CO 0.01 -0.15 0.18 1.28 -0.49 0.00 0.00 175.26 176.09 3kp1 n LEU 489 N 1.33 0.17 -4.03 1.80 4.77 -1.26 -4.97 117.00 114.82 3kp1 n LEU 489 Ca -0.22 -0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 55.08 3kp1 n LEU 489 Cb 0.56 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 3kp1 n LEU 489 CO 0.21 0.04 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.21 3kp1 s ASP 490 N -1.74 3.10 0.52 -1.43 -1.08 -1.26 -5.01 116.67 109.77 3kp1 s ASP 490 Ca 0.01 -0.70 0.31 0.00 -0.52 0.00 0.00 52.55 51.65 3kp1 s ASP 490 Cb 0.03 -1.26 1.20 0.00 -1.46 0.00 0.00 42.92 41.43 3kp1 s ASP 490 CO 0.20 -0.09 1.92 1.05 0.52 0.00 0.00 175.17 178.78 3kp1 h GLU 491 N 7.99 0.00 0.00 4.34 -0.00 -2.02 -3.27 114.58 121.62 3kp1 h GLU 491 Ca -0.35 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 58.78 3kp1 h GLU 491 Cb 1.12 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.82 3kp1 h GLU 491 CO 0.52 0.04 -2.10 0.09 -0.00 0.00 0.00 179.01 177.56 3kp1 n ASN 492 N -3.14 0.72 -4.02 3.06 4.13 -1.26 -4.80 115.26 109.95 3kp1 n ASN 492 Ca 0.01 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.94 3kp1 n ASN 492 Cb 0.35 1.18 -0.10 0.00 -1.54 0.00 0.00 39.78 39.66 3kp1 n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kp1 s ASP 493 N -4.87 5.19 0.20 6.41 2.15 -1.23 -4.86 116.67 119.66 3kp1 s ASP 493 Ca -0.08 -3.43 -0.23 0.00 0.43 0.00 0.00 52.55 49.24 3kp1 s ASP 493 Cb 0.07 -1.77 0.05 0.00 -0.30 0.00 0.00 42.92 40.96 3kp1 s ASP 493 CO 0.73 -0.21 0.83 0.54 -0.17 0.00 0.00 175.17 176.89 3kp1 s ASN 494 N -0.34 -0.24 0.50 -0.34 2.20 -1.25 -3.80 114.94 111.67 3kp1 s ASN 494 Ca 0.22 -0.46 0.18 0.00 -0.94 0.00 0.00 52.86 51.86 3kp1 s ASN 494 Cb -0.13 0.60 1.25 0.00 -2.00 0.00 0.00 41.25 40.97 3kp1 s ASN 494 CO -0.09 -1.09 2.10 1.62 -2.94 0.00 0.00 177.10 176.70 3kp1 h VAL 495 N 2.00 0.97 -0.31 3.54 3.04 -1.93 -2.72 116.25 120.84 3kp1 h VAL 495 Ca -0.22 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 3kp1 h VAL 495 Cb 1.24 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.65 3kp1 h VAL 495 CO 0.25 0.07 -0.08 0.78 -1.01 0.00 0.00 177.57 177.58 3kp1 h ASN 496 N 0.00 0.60 -0.29 3.17 2.35 -1.97 -1.34 115.58 118.12 3kp1 h ASN 496 Ca -0.00 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.28 3kp1 h ASN 496 Cb 0.13 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3kp1 h ASN 496 CO 0.01 0.83 -0.15 0.58 -1.65 0.00 0.00 177.43 177.05 3kp1 h VAL 497 N 0.37 1.26 0.46 2.81 2.07 -1.82 -2.59 116.25 118.80 3kp1 h VAL 497 Ca 0.08 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3kp1 h VAL 497 Cb 0.58 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3kp1 h VAL 497 CO 0.03 0.40 -0.28 0.03 0.02 0.00 0.00 177.57 177.78 3kp1 h ARG 498 N 0.65 -0.68 -0.38 1.57 3.08 -1.34 -3.07 114.38 114.21 3kp1 h ARG 498 Ca 0.11 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.26 3kp1 h ARG 498 Cb 0.62 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 3kp1 h ARG 498 CO 0.04 -0.45 0.10 0.52 -1.07 0.00 0.00 179.97 179.11 3kp1 h MET 499 N -0.70 0.22 -0.88 0.04 2.86 -1.17 -1.87 114.93 113.43 3kp1 h MET 499 Ca -0.05 -0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.81 3kp1 h MET 499 Cb 0.57 -0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.04 3kp1 h MET 499 CO 0.06 0.15 0.25 1.49 1.06 0.00 0.00 176.91 179.92 3kp1 h GLU 500 N 0.23 0.21 -0.06 1.72 4.22 -1.45 0.89 114.58 120.35 3kp1 h GLU 500 Ca 0.18 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.63 3kp1 h GLU 500 Cb 0.20 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kp1 h GLU 500 CO -0.22 0.14 0.06 1.49 -2.18 0.00 0.00 179.01 178.30 3kp1 h GLU 501 N 0.22 0.00 -0.03 1.92 4.81 -1.24 -2.76 114.58 117.50 3kp1 h GLU 501 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3kp1 h GLU 501 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3kp1 h GLU 501 CO -0.65 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 177.88 3kp1 n THR 502 N -4.12 1.33 0.28 0.32 -2.24 0.24 -4.76 114.28 105.34 3kp1 n THR 502 Ca -0.01 -1.44 0.18 0.00 -2.27 0.00 0.00 64.05 60.51 3kp1 n THR 502 Cb 0.16 0.23 0.92 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.21 0.00 0.00 -0.78 1.57 -1.07 -1.12 116.57 115.37 3kp1 h LYS 503 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kp1 h LYS 503 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3kp1 h LYS 503 CO 0.01 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.04 3kp1 n GLU 504 N -3.29 0.31 -0.04 3.15 0.28 -1.26 -2.37 120.64 117.42 3kp1 n GLU 504 Ca -0.01 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 3kp1 n GLU 504 Cb 0.30 -1.50 0.08 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 -1.34 0.10 -1.45 -1.84 3.01 -0.43 -4.56 117.46 110.95 3kp1 n PHE 505 Ca 0.12 -0.08 -0.31 0.00 1.01 0.00 0.00 57.45 58.18 3kp1 n PHE 505 Cb 0.25 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.80 3kp1 n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3kp1 n ARG 506 N 0.79 2.80 -0.10 -1.08 0.63 -1.00 -4.93 116.66 113.77 3kp1 n ARG 506 Ca 0.09 -3.42 0.10 0.00 -0.92 0.00 0.00 57.85 53.70 3kp1 n ARG 506 Cb 0.37 -2.27 0.33 0.00 0.45 0.00 0.00 32.46 31.35 3kp1 n ARG 506 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3kp1 n SER 509 N -0.91 1.70 -4.79 6.15 3.41 -1.26 -5.01 113.62 112.91 3kp1 n SER 509 Ca 0.59 -1.76 -0.36 0.00 -0.26 0.00 0.00 58.87 57.07 3kp1 n SER 509 Cb 0.79 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.74 4.52 0.01 4.33 -1.94 -1.26 -0.69 119.30 122.52 3kp1 s MET 510 Ca 0.31 1.30 -0.11 0.00 -1.71 0.00 0.00 55.69 55.48 3kp1 s MET 510 Cb 0.16 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.32 3kp1 s MET 510 CO 0.24 0.22 0.22 -1.50 -0.01 0.00 0.00 175.02 174.19 3kp1 s ILE 511 N -1.70 0.08 0.22 2.53 2.07 -0.23 -4.79 121.20 119.38 3kp1 s ILE 511 Ca 0.52 -0.67 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 3kp1 s ILE 511 Cb -0.17 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.77 3kp1 s ILE 511 CO 0.22 -0.37 0.50 -1.59 -1.91 0.00 0.00 174.94 171.80 3kp1 s LYS 512 N -1.78 1.48 0.76 3.50 -2.85 -1.26 -1.53 119.74 118.06 3kp1 s LYS 512 Ca -0.11 -1.07 -0.13 0.00 -1.00 0.00 0.00 55.97 53.65 3kp1 s LYS 512 Cb -0.05 0.50 0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3kp1 s LYS 512 CO 0.01 -0.62 1.16 -2.14 0.10 0.00 0.00 175.35 173.85 3kp1 s PRO 513 N -3.95 2.08 0.09 1.78 0.02 -1.26 -4.72 135.00 129.04 3kp1 s PRO 513 Ca 0.16 1.55 -0.10 0.00 0.02 0.00 0.00 61.00 62.63 3kp1 s PRO 513 Cb -0.01 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.67 3kp1 s PRO 513 CO 0.04 -1.83 0.23 -1.83 -0.33 0.00 0.00 177.00 173.27 3kp1 s GLU 514 N -4.24 0.87 -0.05 5.54 -1.05 -1.26 -0.01 118.70 118.50 3kp1 s GLU 514 Ca 0.69 -0.87 0.05 0.00 -0.15 0.00 0.00 54.97 54.69 3kp1 s GLU 514 Cb -0.24 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 3kp1 s GLU 514 CO 0.48 -0.29 0.03 1.33 0.95 0.00 0.00 175.26 177.77 3kp1 n VAL 515 N -0.00 0.34 0.00 1.83 0.24 -1.26 -4.80 118.33 114.68 3kp1 n VAL 515 Ca -0.16 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3kp1 n VAL 515 Cb 0.62 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.16 0.00 -4.87 7.34 0.28 -1.26 -1.20 120.64 118.77 3kp1 n GLU 516 Ca -0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.62 3kp1 n GLU 516 Cb 0.64 -0.25 -0.15 0.00 1.43 0.00 0.00 31.44 33.11 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 2.26 -0.40 -1.84 0.51 -1.26 -4.69 118.94 112.51 3kp1 s TRP 517 Ca 0.00 -0.41 -0.45 0.00 -2.12 0.00 0.00 56.10 53.12 3kp1 s TRP 517 Cb 0.00 -1.35 -0.19 0.00 -0.81 0.00 0.00 33.47 31.12 3kp1 s TRP 517 CO 0.00 0.12 1.59 0.94 -0.51 0.00 0.00 176.95 179.09 3kp1 n GLN 518 N 1.77 0.28 -2.50 4.98 7.27 -1.26 -1.19 117.38 126.74 3kp1 n GLN 518 Ca -0.17 0.10 -0.20 0.00 0.07 0.00 0.00 57.00 56.81 3kp1 n GLN 518 Cb 0.52 -1.65 -0.00 0.00 2.41 0.00 0.00 30.24 31.52 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 4.09 -0.70 0.32 1.69 0.00 -1.26 -4.86 120.51 119.80 3kp1 n ALA 519 Ca 0.29 0.17 0.16 0.00 0.00 0.00 0.00 53.44 54.06 3kp1 n ALA 519 Cb -0.00 -2.31 0.64 0.00 0.00 0.00 0.00 19.45 17.77 3kp1 n ALA 519 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kp1 h ASP 520 N -0.18 0.00 0.00 0.00 3.04 -1.26 -3.47 116.42 114.55 3kp1 h ASP 520 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3kp1 h ASP 520 Cb 1.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 3kp1 h ASP 520 CO 0.55 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 3kp1 n GLY 521 N -0.02 0.74 3.74 7.15 0.00 0.99 -4.79 105.19 113.00 3kp1 n GLY 521 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.98 4.10 0.28 2.61 2.01 -1.25 0.25 115.64 120.66 3kp1 s THR 522 Ca 0.00 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.86 3kp1 s THR 522 Cb 0.00 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 3kp1 s THR 522 CO 0.00 0.33 0.07 0.68 -0.69 0.00 0.00 174.62 175.01 3kp1 s VAL 523 N -0.35 0.86 -0.12 3.82 -7.23 0.11 -4.14 120.40 113.35 3kp1 s VAL 523 Ca 0.47 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3kp1 s VAL 523 Cb -0.27 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 3kp1 s VAL 523 CO 0.33 -0.03 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.71 3kp1 s LEU 524 N -3.39 2.54 -0.15 1.32 2.96 -1.26 -2.27 118.68 118.43 3kp1 s LEU 524 Ca 0.37 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3kp1 s LEU 524 Cb 0.08 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3kp1 s LEU 524 CO 0.14 0.17 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.93 3kp1 s LEU 525 N 0.33 2.30 -0.10 -0.68 2.96 -0.03 -5.00 118.68 118.47 3kp1 s LEU 525 Ca -0.13 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 3kp1 s LEU 525 Cb -0.16 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3kp1 s LEU 525 CO 0.07 0.08 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.07 3kp1 s THR 526 N 0.83 2.30 0.13 3.68 2.01 -1.26 -0.82 115.64 122.51 3kp1 s THR 526 Ca -0.06 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 3kp1 s THR 526 Cb -0.15 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 3kp1 s THR 526 CO -0.01 0.55 0.22 0.00 -0.69 0.00 0.00 174.62 174.69 3kp1 s MET 527 N 0.24 0.99 -0.15 4.92 0.23 0.23 -5.01 119.30 120.76 3kp1 s MET 527 Ca -0.14 -1.10 -0.01 0.00 -1.03 0.00 0.00 55.69 53.41 3kp1 s MET 527 Cb -0.17 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3kp1 s MET 527 CO 0.07 -0.34 -0.11 0.12 -2.03 0.00 0.00 175.02 172.74 3kp1 s PHE 528 N -3.92 2.85 -0.07 3.16 5.36 -1.26 -0.53 117.98 123.57 3kp1 s PHE 528 Ca 0.12 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.44 3kp1 s PHE 528 Cb 0.04 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 3kp1 s PHE 528 CO -0.05 -0.26 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.76 3kp1 s LEU 529 N 0.53 2.47 -1.47 6.12 1.43 -0.73 -4.98 118.68 122.04 3kp1 s LEU 529 Ca -0.08 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3kp1 s LEU 529 Cb -0.15 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3kp1 s LEU 529 CO 0.04 0.27 2.53 -0.81 0.23 0.00 0.00 176.35 178.60 3kp1 n PRO 530 N 2.83 3.73 -4.02 1.29 -0.04 -1.26 -1.31 135.00 136.21 3kp1 n PRO 530 Ca -0.17 -2.76 -0.12 0.00 -0.04 0.00 0.00 63.50 60.40 3kp1 n PRO 530 Cb 0.52 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 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 1.36 0.00 0.97 0.52 -1.32 -1.26 -4.73 115.64 111.17 3kp1 s THR 531 Ca 0.57 -1.45 -0.11 0.00 -1.21 0.00 0.00 61.69 59.49 3kp1 s THR 531 Cb 0.16 -2.56 0.17 0.00 -1.51 0.00 0.00 72.50 68.76 3kp1 s THR 531 CO -0.07 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.50 3kp1 s SER 532 N -3.15 2.67 0.19 8.08 1.04 -1.26 -3.52 113.70 117.74 3kp1 s SER 532 Ca 0.26 1.76 -0.12 0.00 0.48 0.00 0.00 55.95 58.33 3kp1 s SER 532 Cb -0.01 -2.37 0.12 0.00 0.10 0.00 0.00 66.02 63.86 3kp1 s SER 532 CO 0.16 -3.19 1.84 0.50 0.98 0.00 0.00 173.24 173.53 3kp1 h LYS 533 N -1.93 0.73 -0.05 4.02 3.64 -1.92 -0.39 116.57 120.68 3kp1 h LYS 533 Ca -0.50 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.75 3kp1 h LYS 533 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3kp1 h LYS 533 CO 0.49 0.49 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.78 3kp1 h ARG 534 N 0.76 0.28 -0.51 1.90 2.43 -1.99 -2.30 114.38 114.95 3kp1 h ARG 534 Ca 0.23 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3kp1 h ARG 534 Cb -0.03 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3kp1 h ARG 534 CO -0.08 0.89 0.25 0.28 -1.51 0.00 0.00 179.97 179.81 3kp1 h VAL 535 N -0.26 0.94 -0.61 0.20 2.07 -1.92 -2.45 116.25 114.23 3kp1 h VAL 535 Ca -0.02 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3kp1 h VAL 535 Cb 0.96 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3kp1 h VAL 535 CO 0.06 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.98 3kp1 h ALA 536 N 1.28 0.79 0.01 1.67 0.00 -1.02 0.11 119.26 122.11 3kp1 h ALA 536 Ca 0.23 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3kp1 h ALA 536 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kp1 h ALA 536 CO -0.17 -0.18 -0.17 1.49 0.00 0.00 0.00 179.25 180.23 3kp1 h GLU 537 N 0.43 -0.27 -0.09 0.00 4.81 -0.94 -0.15 114.58 118.36 3kp1 h GLU 537 Ca 0.31 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3kp1 h GLU 537 Cb 0.37 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3kp1 h GLU 537 CO -0.30 -0.18 -0.61 0.74 -0.73 0.00 0.00 179.01 177.93 3kp1 h PHE 538 N -0.28 0.41 -0.74 0.92 0.04 -1.19 -2.20 116.94 113.92 3kp1 h PHE 538 Ca 0.05 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 3kp1 h PHE 538 Cb 0.34 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3kp1 h PHE 538 CO -0.21 0.85 0.25 0.00 -0.60 0.00 0.00 178.31 178.60 3kp1 h ALA 539 N 1.11 1.06 -0.56 2.45 0.00 -0.81 -2.59 119.26 119.92 3kp1 h ALA 539 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3kp1 h ALA 539 Cb 1.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3kp1 h ALA 539 CO 0.10 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.95 3kp1 h ALA 540 N 1.19 0.86 -0.72 0.00 0.00 -0.76 -1.20 119.26 118.62 3kp1 h ALA 540 Ca 0.24 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kp1 h ALA 540 Cb 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3kp1 h ALA 540 CO -0.01 0.66 0.37 0.82 0.00 0.00 0.00 179.25 181.08 3kp1 h ILE 541 N 0.91 0.87 -0.52 0.00 1.08 -1.25 -0.72 117.51 117.87 3kp1 h ILE 541 Ca 0.15 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 3kp1 h ILE 541 Cb 0.59 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3kp1 h ILE 541 CO 0.04 0.12 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.24 3kp1 h GLU 542 N 0.64 0.95 -0.89 2.37 4.39 -1.02 -1.71 114.58 119.30 3kp1 h GLU 542 Ca 0.35 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3kp1 h GLU 542 Cb 0.35 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3kp1 h GLU 542 CO -0.26 0.98 0.59 0.74 -1.16 0.00 0.00 179.01 179.91 3kp1 h PHE 543 N 0.81 1.12 -0.71 4.33 0.04 -0.87 -1.68 116.94 119.98 3kp1 h PHE 543 Ca 0.14 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.88 3kp1 h PHE 543 Cb 0.58 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3kp1 h PHE 543 CO 0.04 0.70 0.20 0.00 -0.60 0.00 0.00 178.31 178.65 3kp1 h ALA 544 N 1.45 0.93 -0.68 2.45 0.00 -0.78 -1.78 119.26 120.85 3kp1 h ALA 544 Ca 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kp1 h ALA 544 Cb -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3kp1 h ALA 544 CO -0.07 0.63 0.27 0.87 0.00 0.00 0.00 179.25 180.95 3kp1 h LYS 545 N 1.05 1.01 0.00 0.00 1.79 -0.88 -1.93 116.57 117.61 3kp1 h LYS 545 Ca 0.22 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3kp1 h LYS 545 Cb 0.34 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3kp1 h LYS 545 CO -0.00 0.84 0.00 1.63 -1.08 0.00 0.00 179.45 180.84 3kp1 n LYS 546 N -4.40 0.14 -0.39 3.15 5.02 -0.67 -0.72 118.16 120.30 3kp1 n LYS 546 Ca 0.05 0.29 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 3kp1 n LYS 546 Cb 0.17 -1.73 0.25 0.00 -0.02 0.00 0.00 35.03 33.70 3kp1 n LYS 546 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kp1 n MET 547 N -2.00 2.74 -1.07 1.97 2.81 -0.70 -4.93 117.12 115.94 3kp1 n MET 547 Ca 0.04 -1.98 -0.03 0.00 -1.81 0.00 0.00 57.70 53.92 3kp1 n MET 547 Cb 0.27 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.81 -3.86 -4.82 7.83 3.02 0.10 -5.01 115.26 113.34 3kp1 n ASN 548 Ca 0.18 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.46 3kp1 n ASN 548 Cb 0.60 -1.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.12 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 -0.58 3.95 0.38 3.41 1.43 -0.79 -4.49 118.68 121.99 3kp1 s LEU 549 Ca 0.00 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 3kp1 s LEU 549 Cb 0.00 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 3kp1 s LEU 549 CO 0.00 -0.35 0.04 -1.61 0.23 0.00 0.00 176.35 174.66 3kp1 s GLU 550 N -3.17 2.03 -1.47 1.70 0.41 -0.61 -4.48 118.70 113.11 3kp1 s GLU 550 Ca 0.61 -1.93 -0.00 0.00 -0.41 0.00 0.00 54.97 53.24 3kp1 s GLU 550 Cb -0.09 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 3kp1 s GLU 550 CO 0.14 0.01 0.23 0.39 -0.49 0.00 0.00 175.26 175.53 3kp1 n GLU 551 N -1.01 -2.20 -2.36 1.61 1.02 -1.26 -0.77 120.64 115.67 3kp1 n GLU 551 Ca -0.04 0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 3kp1 n GLU 551 Cb 0.65 -4.08 -0.03 0.00 -0.02 0.00 0.00 31.44 27.96 3kp1 n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kp1 s VAL 552 N -4.15 4.03 -0.07 2.62 1.01 -1.26 -4.52 120.40 118.06 3kp1 s VAL 552 Ca 0.00 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.41 3kp1 s VAL 552 Cb -0.00 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 3kp1 s VAL 552 CO 0.94 0.00 -0.19 -1.61 0.00 0.00 0.00 175.10 174.24 3kp1 s GLU 553 N 2.26 2.25 -0.03 2.72 2.02 -0.85 -5.02 118.70 122.04 3kp1 s GLU 553 Ca 0.59 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 3kp1 s GLU 553 Cb -0.27 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 3kp1 s GLU 553 CO 0.24 0.20 1.06 0.08 0.02 0.00 0.00 175.26 176.86 3kp1 s VAL 554 N 0.22 4.60 0.00 2.63 1.01 -1.26 -1.49 120.40 126.12 3kp1 s VAL 554 Ca -0.10 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3kp1 s VAL 554 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3kp1 s VAL 554 CO 0.05 0.08 0.06 2.30 0.00 0.00 0.00 175.10 177.58 3kp1 n ILE 555 N 4.21 0.00 -3.72 2.22 -5.35 -0.11 -4.97 119.36 111.63 3kp1 n ILE 555 Ca 0.08 -0.45 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 3kp1 n ILE 555 Cb 0.49 1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 39.30 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 -0.79 -0.46 -0.03 7.28 2.47 -1.09 -4.84 114.94 117.48 3kp1 s ASN 556 Ca 0.00 0.88 -0.00 0.00 0.42 0.00 0.00 52.86 54.15 3kp1 s ASN 556 Cb 0.00 0.89 0.03 0.00 -1.45 0.00 0.00 41.25 40.72 3kp1 s ASN 556 CO 0.00 -0.16 0.03 -0.13 -3.72 0.00 0.00 177.10 173.12 3kp1 s ARG 557 N 0.21 0.08 -0.05 0.43 0.52 -1.26 -1.64 118.95 117.25 3kp1 s ARG 557 Ca -0.00 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 3kp1 s ARG 557 Cb -0.03 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.04 3kp1 s ARG 557 CO 0.01 -0.21 -0.03 -1.21 0.02 0.00 0.00 175.30 173.88 3kp1 s GLU 558 N 1.39 0.69 -0.19 3.54 2.02 -0.53 -5.00 118.70 120.62 3kp1 s GLU 558 Ca -0.05 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 3kp1 s GLU 558 Cb -0.13 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.30 3kp1 s GLU 558 CO -0.03 -0.14 1.08 0.08 0.02 0.00 0.00 175.26 176.27 3kp1 s VAL 559 N 1.15 4.61 -0.07 2.63 1.01 -1.26 -0.46 120.40 128.01 3kp1 s VAL 559 Ca -0.08 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.81 3kp1 s VAL 559 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3kp1 s VAL 559 CO -0.01 -0.14 0.16 0.24 0.00 0.00 0.00 175.10 175.35 3kp1 h MET 560 N 7.51 -0.12 -3.72 2.72 0.00 -1.57 -3.48 114.93 116.28 3kp1 h MET 560 Ca -0.23 0.01 -0.15 0.00 0.00 0.00 0.00 59.70 59.33 3kp1 h MET 560 Cb 1.09 0.03 -0.20 0.00 0.00 0.00 0.00 31.60 32.51 3kp1 h MET 560 CO 0.95 -0.08 -0.56 -1.14 0.00 0.00 0.00 176.91 176.08 3kp1 s GLN 561 N -1.88 0.46 0.28 1.72 -0.44 -1.12 -4.97 119.66 113.71 3kp1 s GLN 561 Ca -0.02 -0.55 0.02 0.00 -2.50 0.00 0.00 55.36 52.31 3kp1 s GLN 561 Cb 0.00 0.18 0.62 0.00 -1.64 0.00 0.00 33.01 32.17 3kp1 s GLN 561 CO 0.05 -0.10 1.75 1.49 0.50 0.00 0.00 175.29 178.99 3kp1 h GLU 562 N 4.23 0.60 0.09 1.67 4.81 -1.92 -2.00 114.58 122.07 3kp1 h GLU 562 Ca -0.32 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.53 3kp1 h GLU 562 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3kp1 h GLU 562 CO 0.43 0.40 -1.90 0.00 -0.73 0.00 0.00 179.01 177.21 3kp1 n ALA 563 N -2.41 0.90 0.16 2.92 0.00 -1.26 -4.05 120.51 116.77 3kp1 n ALA 563 Ca 0.20 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 53.04 3kp1 n ALA 563 Cb 0.51 -0.61 0.26 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.17 0.00 0.00 0.00 4.39 -1.79 -3.39 114.58 113.62 3kp1 h GLU 564 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3kp1 h GLU 564 Cb 1.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 3kp1 h GLU 564 CO 0.01 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 3kp1 n GLY 565 N 0.15 1.27 2.86 -3.84 0.00 -0.79 -4.16 105.19 100.69 3kp1 n GLY 565 Ca -0.01 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.02 -0.09 2.61 2.01 -0.43 -1.34 115.64 116.38 3kp1 s THR 566 Ca 0.00 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 3kp1 s THR 566 Cb 0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 3kp1 s THR 566 CO 0.00 0.03 0.66 -0.60 -0.69 0.00 0.00 174.62 174.02 3kp1 s ARG 567 N 0.42 4.40 -0.04 4.92 3.52 0.39 -1.77 118.95 130.78 3kp1 s ARG 567 Ca -0.03 0.78 0.05 0.00 -0.13 0.00 0.00 55.73 56.40 3kp1 s ARG 567 Cb -0.05 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3kp1 s ARG 567 CO -0.01 0.04 -0.19 0.42 -0.81 0.00 0.00 175.30 174.75 3kp1 s ILE 568 N 0.90 1.55 -0.06 4.11 -1.09 0.31 -1.45 121.20 125.47 3kp1 s ILE 568 Ca 0.35 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 58.02 3kp1 s ILE 568 Cb -0.17 -1.32 -0.01 0.00 -1.58 0.00 0.00 42.46 39.38 3kp1 s ILE 568 CO 0.16 0.44 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.48 3kp1 s GLU 569 N -0.09 2.43 0.13 2.79 2.02 -0.65 -0.60 118.70 124.73 3kp1 s GLU 569 Ca -0.02 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.22 3kp1 s GLU 569 Cb -0.11 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 3kp1 s GLU 569 CO 0.02 0.28 -0.12 -0.51 0.02 0.00 0.00 175.26 174.95 3kp1 s LEU 570 N 0.05 2.44 0.23 1.80 1.02 0.00 -0.94 118.68 123.28 3kp1 s LEU 570 Ca -0.08 -0.87 0.09 0.00 0.02 0.00 0.00 54.13 53.29 3kp1 s LEU 570 Cb -0.14 -0.44 -0.04 0.00 0.02 0.00 0.00 46.19 45.58 3kp1 s LEU 570 CO 0.05 -0.22 -0.01 -1.59 0.02 0.00 0.00 176.35 174.60 3kp1 s LYS 571 N -3.01 2.31 0.08 1.70 -2.85 -0.55 -0.85 119.74 116.57 3kp1 s LYS 571 Ca 0.11 -1.30 -0.27 0.00 -1.00 0.00 0.00 55.97 53.50 3kp1 s LYS 571 Cb -0.02 -2.23 0.08 0.00 -2.06 0.00 0.00 37.83 33.60 3kp1 s LYS 571 CO 0.02 0.40 1.02 0.20 0.10 0.00 0.00 175.35 177.08 3kp1 s GLY 572 N -3.37 -0.31 -0.18 0.59 0.00 -0.96 -2.02 107.32 101.07 3kp1 s GLY 572 Ca 0.29 0.45 -0.07 0.00 0.00 0.00 0.00 44.72 45.40 3kp1 s GLY 572 CO 0.19 0.11 0.05 -1.60 0.00 0.00 0.00 173.10 171.85 3kp1 s ARG 573 N -3.07 3.90 -0.20 2.90 3.52 0.05 -0.71 118.95 125.35 3kp1 s ARG 573 Ca 0.11 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 3kp1 s ARG 573 Cb -0.00 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3kp1 s ARG 573 CO -0.01 0.23 1.04 0.08 -0.81 0.00 0.00 175.30 175.83 3kp1 s VAL 574 N 0.47 4.69 -0.16 7.11 1.01 0.14 -1.58 120.40 132.07 3kp1 s VAL 574 Ca 0.02 2.01 0.28 0.00 0.00 0.00 0.00 61.98 64.29 3kp1 s VAL 574 Cb -0.13 -4.30 0.36 0.00 0.00 0.00 0.00 36.38 32.31 3kp1 s VAL 574 CO 0.01 -0.14 1.79 -0.65 0.00 0.00 0.00 175.10 176.11 3kp1 h PRO 575 N 7.40 0.00 -5.87 2.72 0.11 -1.88 -3.44 132.00 131.03 3kp1 h PRO 575 Ca -0.22 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.32 3kp1 h PRO 575 Cb 1.08 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 3kp1 h PRO 575 CO 0.95 0.01 -0.46 -0.59 -0.21 0.00 0.00 178.00 177.71 3kp1 s PHE 576 N -3.44 2.43 0.38 0.65 -0.12 -1.26 -5.15 117.98 111.47 3kp1 s PHE 576 Ca 0.04 -0.64 0.08 0.00 -0.05 0.00 0.00 56.93 56.36 3kp1 s PHE 576 Cb 0.07 -1.95 -0.07 0.00 -0.63 0.00 0.00 43.02 40.45 3kp1 s PHE 576 CO 0.61 0.07 -0.01 -1.12 -0.05 0.00 0.00 175.22 174.73 3kp1 s SER 577 N -3.97 3.94 -0.01 1.98 0.01 -1.26 -4.86 113.70 109.53 3kp1 s SER 577 Ca 0.38 -1.21 0.07 0.00 1.31 0.00 0.00 55.95 56.50 3kp1 s SER 577 Cb 0.02 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 3kp1 s SER 577 CO 0.21 -0.34 -0.22 -0.63 0.41 0.00 0.00 173.24 172.67 3kp1 s ILE 578 N -2.63 1.73 -0.33 1.44 -1.09 -0.58 -4.95 121.20 114.79 3kp1 s ILE 578 Ca 0.35 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.60 3kp1 s ILE 578 Cb 0.05 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.47 3kp1 s ILE 578 CO 0.18 0.44 0.48 -0.62 -1.23 0.00 0.00 174.94 174.20 3kp1 s ASP 579 N -0.64 6.31 0.53 3.58 -1.08 -1.26 -1.07 116.67 123.04 3kp1 s ASP 579 Ca 0.08 0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.42 3kp1 s ASP 579 Cb -0.09 -2.25 1.39 0.00 -1.46 0.00 0.00 42.92 40.51 3kp1 s ASP 579 CO -0.00 -0.41 1.98 0.40 0.52 0.00 0.00 175.17 177.66 3kp1 h ILE 580 N 5.55 0.72 0.00 4.11 2.04 -1.27 -0.01 117.51 128.66 3kp1 h ILE 580 Ca -0.29 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3kp1 h ILE 580 Cb 1.13 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3kp1 h ILE 580 CO 0.74 0.00 -0.26 0.78 0.00 0.00 0.00 178.15 179.42 3kp1 h ASN 581 N 0.02 0.00 1.04 1.72 2.35 -1.92 -2.61 115.58 116.17 3kp1 h ASN 581 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3kp1 h ASN 581 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3kp1 h ASN 581 CO -0.01 0.26 -0.12 -1.20 -1.65 0.00 0.00 177.43 174.71 3kp1 n SER 582 N -3.80 0.33 -4.70 5.81 7.64 -0.02 -4.86 113.62 114.01 3kp1 n SER 582 Ca -0.01 0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.83 3kp1 n SER 582 Cb 0.35 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 3kp1 n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kp1 s LEU 583 N -3.48 4.34 -0.40 -3.43 1.43 -0.99 -4.99 118.68 111.17 3kp1 s LEU 583 Ca 0.12 2.06 -0.21 0.00 -1.03 0.00 0.00 54.13 55.07 3kp1 s LEU 583 Cb 0.17 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.83 3kp1 s LEU 583 CO 0.59 -0.59 0.69 -0.69 0.23 0.00 0.00 176.35 176.58 3kp1 s VAL 584 N 1.60 4.80 -0.26 -1.59 1.01 -1.26 -5.03 120.40 119.66 3kp1 s VAL 584 Ca 0.61 0.48 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3kp1 s VAL 584 Cb -0.31 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 31.96 3kp1 s VAL 584 CO 0.27 -0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 174.20 3kp1 s ILE 585 N 2.93 1.88 0.72 2.22 1.01 -1.26 -5.11 121.20 123.58 3kp1 s ILE 585 Ca 0.26 -1.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 3kp1 s ILE 585 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3kp1 s ILE 585 CO 0.18 -0.17 0.50 -2.65 0.00 0.00 0.00 174.94 172.80 3kp1 n PRO 586 N 4.52 0.29 0.00 2.79 -0.02 -1.26 -5.30 135.00 136.02 3kp1 n PRO 586 Ca -0.10 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3kp1 n PRO 586 Cb 0.43 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3kp1 n PRO 586 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kp1 n PRO 587 N -0.64 0.00 0.00 0.52 -0.02 -1.26 -5.32 135.00 128.29 3kp1 n PRO 587 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3kp1 n PRO 587 Cb 0.50 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 3kp1 n PRO 587 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kp1 n ILE 591 N -0.02 0.00 -1.91 4.25 3.06 -1.26 -5.35 119.36 118.14 3kp1 n ILE 591 Ca 0.00 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.87 3kp1 n ILE 591 Cb 0.00 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.21 3kp1 n ILE 591 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3kp1 s LEU 592 N 0.00 3.85 0.26 9.51 1.43 -1.26 -5.04 118.68 127.43 3kp1 s LEU 592 Ca 0.00 2.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 3kp1 s LEU 592 Cb 0.00 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 3kp1 s LEU 592 CO 0.00 -1.46 0.37 -0.94 0.23 0.00 0.00 176.35 174.55 3kp1 s SER 593 N -1.14 6.17 0.26 2.29 1.04 -1.26 -4.96 113.70 116.09 3kp1 s SER 593 Ca 0.71 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 3kp1 s SER 593 Cb -0.36 -1.68 0.51 0.00 0.10 0.00 0.00 66.02 64.58 3kp1 s SER 593 CO 0.43 -0.14 1.65 1.05 0.98 0.00 0.00 173.24 177.20 3kp1 h GLU 594 N 1.14 0.15 -0.64 4.02 9.09 -1.99 -0.22 114.58 126.14 3kp1 h GLU 594 Ca -0.50 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 58.89 3kp1 h GLU 594 Cb 1.24 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 3kp1 h GLU 594 CO 0.59 0.10 0.38 -0.44 0.05 0.00 0.00 179.01 179.69 3kp1 h ASP 595 N 0.16 0.78 0.03 3.06 5.19 -1.98 0.96 116.42 124.62 3kp1 h ASP 595 Ca 0.45 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 3kp1 h ASP 595 Cb 0.82 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3kp1 h ASP 595 CO -0.64 0.62 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.75 3kp1 h GLU 596 N 0.87 -0.04 -0.30 3.56 3.07 -1.63 0.31 114.58 120.41 3kp1 h GLU 596 Ca 0.23 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.14 3kp1 h GLU 596 Cb -0.01 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 3kp1 h GLU 596 CO -0.04 0.13 0.02 0.82 -1.40 0.00 0.00 179.01 178.54 3kp1 h ILE 597 N -0.21 0.80 -0.53 3.13 2.04 -0.89 0.19 117.51 122.04 3kp1 h ILE 597 Ca -0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kp1 h ILE 597 Cb 0.20 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3kp1 h ILE 597 CO 0.01 0.02 0.30 -0.09 0.00 0.00 0.00 178.15 178.39 3kp1 h ARG 598 N 0.11 0.74 -0.78 2.37 2.43 -0.69 -2.12 114.38 116.44 3kp1 h ARG 598 Ca 0.14 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3kp1 h ARG 598 Cb 0.18 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3kp1 h ARG 598 CO -0.23 0.56 0.38 0.93 -1.51 0.00 0.00 179.97 180.10 3kp1 h GLU 599 N 0.71 1.12 -0.66 0.20 5.08 0.21 -1.17 114.58 120.07 3kp1 h GLU 599 Ca 0.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kp1 h GLU 599 Cb 0.04 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3kp1 h GLU 599 CO -0.03 0.86 0.38 0.22 -1.00 0.00 0.00 179.01 179.44 3kp1 h ASP 600 N 1.09 0.82 0.41 1.42 3.58 -0.33 -0.43 116.42 122.98 3kp1 h ASP 600 Ca 0.27 -0.08 -0.17 0.00 0.42 0.00 0.00 57.03 57.47 3kp1 h ASP 600 Cb 0.11 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3kp1 h ASP 600 CO -0.03 0.66 -0.70 0.40 -2.88 0.00 0.00 179.24 176.69 3kp1 h ILE 601 N 0.90 1.42 -0.79 2.25 2.04 -1.20 -1.75 117.51 120.38 3kp1 h ILE 601 Ca 0.23 -2.18 -0.05 0.00 1.00 0.00 0.00 64.86 63.86 3kp1 h ILE 601 Cb 0.02 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3kp1 h ILE 601 CO -0.04 0.64 0.31 -0.33 0.00 0.00 0.00 178.15 178.73 3kp1 h GLU 602 N 0.17 1.18 -0.07 2.37 5.08 -0.95 -2.97 114.58 119.40 3kp1 h GLU 602 Ca -0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3kp1 h GLU 602 Cb 1.25 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kp1 h GLU 602 CO 0.11 0.96 0.00 -0.22 -1.00 0.00 0.00 179.01 178.86 3kp1 h LYS 603 N 1.15 0.13 -3.67 2.33 3.64 -0.75 -3.41 116.57 115.99 3kp1 h LYS 603 Ca 0.26 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 59.09 3kp1 h LYS 603 Cb 0.23 -0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 31.64 3kp1 h LYS 603 CO -0.02 0.39 -0.77 0.99 -2.27 0.00 0.00 179.45 177.77 3kp1 s THR 604 N -4.99 0.59 0.38 1.00 2.01 -0.69 -5.11 115.64 108.83 3kp1 s THR 604 Ca -0.14 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 3kp1 s THR 604 Cb 0.05 -0.99 -0.11 0.00 0.01 0.00 0.00 72.50 71.46 3kp1 s THR 604 CO 0.69 -0.08 1.50 -2.65 -0.69 0.00 0.00 174.62 173.40 3kp1 n PRO 605 N 5.04 2.70 -4.39 4.92 -0.02 -1.12 -4.37 135.00 137.76 3kp1 n PRO 605 Ca -0.09 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 3kp1 n PRO 605 Cb 0.48 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 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 -2.08 2.92 -0.10 2.45 2.96 -1.26 -5.06 118.68 118.52 3kp1 s LEU 606 Ca 0.53 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3kp1 s LEU 606 Cb -0.47 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.52 3kp1 s LEU 606 CO 0.64 0.11 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.81 3kp1 s LYS 607 N 0.71 2.77 0.06 1.98 2.20 -1.26 -1.34 119.74 124.87 3kp1 s LYS 607 Ca -0.04 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 54.87 3kp1 s LYS 607 Cb -0.15 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 3kp1 s LYS 607 CO 0.02 0.11 -0.22 0.42 -0.36 0.00 0.00 175.35 175.32 3kp1 s ILE 608 N 0.50 1.82 -0.04 5.43 1.09 0.07 0.57 121.20 130.63 3kp1 s ILE 608 Ca -0.16 -1.36 0.01 0.00 -1.10 0.00 0.00 60.65 58.04 3kp1 s ILE 608 Cb -0.17 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 3kp1 s ILE 608 CO 0.06 0.17 -0.05 0.68 -0.10 0.00 0.00 174.94 175.70 3kp1 s VAL 609 N -0.90 3.86 -0.00 2.92 -7.23 -0.73 -0.81 120.40 117.51 3kp1 s VAL 609 Ca 0.09 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3kp1 s VAL 609 Cb -0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.21 3kp1 s VAL 609 CO 0.03 0.51 -0.01 0.00 -0.31 0.00 0.00 175.10 175.31 3kp1 s ALA 610 N -0.92 0.13 0.05 1.32 0.00 -0.17 -0.98 121.76 121.19 3kp1 s ALA 610 Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3kp1 s ALA 610 Cb -0.11 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.02 3kp1 s ALA 610 CO 0.05 0.02 0.63 0.00 0.00 0.00 0.00 175.76 176.45 3kp1 s ALA 611 N 0.09 -1.65 -0.09 0.00 0.00 -0.84 -0.57 121.76 118.71 3kp1 s ALA 611 Ca -0.01 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 3kp1 s ALA 611 Cb -0.02 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3kp1 s ALA 611 CO -0.00 -0.55 0.67 0.99 0.00 0.00 0.00 175.76 176.87 3kp1 s THR 612 N -2.37 5.06 0.29 0.00 2.01 -0.63 -0.90 115.64 119.09 3kp1 s THR 612 Ca -0.05 1.37 0.08 0.00 0.31 0.00 0.00 61.69 63.40 3kp1 s THR 612 Cb -0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3kp1 s THR 612 CO -0.01 0.24 0.18 0.68 -0.69 0.00 0.00 174.62 175.02 3kp1 s VAL 613 N 0.92 3.88 0.00 3.82 -7.23 -0.89 -1.83 120.40 119.07 3kp1 s VAL 613 Ca 0.35 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3kp1 s VAL 613 Cb -0.17 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.57 3kp1 s VAL 613 CO 0.16 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 3kp1 n GLY 614 N -1.17 0.31 1.48 2.32 0.00 -0.34 -3.41 105.19 104.37 3kp1 n GLY 614 Ca -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 11.73 3.06 -3.11 1.61 1.02 -1.26 -3.52 120.64 130.16 3kp1 n GLU 615 Ca 0.00 -3.04 -0.40 0.00 -0.02 0.00 0.00 57.16 53.70 3kp1 n GLU 615 Cb 0.00 -2.02 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 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 -1.65 6.66 0.00 1.62 3.68 -1.22 -4.84 116.67 120.93 3kp1 s ASP 616 Ca 0.49 0.81 0.23 0.00 2.13 0.00 0.00 52.55 56.21 3kp1 s ASP 616 Cb 0.40 -2.35 0.46 0.00 -1.45 0.00 0.00 42.92 39.98 3kp1 s ASP 616 CO 0.09 -0.31 1.42 -0.62 0.13 0.00 0.00 175.17 175.88 3kp1 n GLU 617 N 5.27 2.50 -2.39 4.34 -0.58 -1.26 -1.15 120.64 127.38 3kp1 n GLU 617 Ca -0.01 -2.28 -0.42 0.00 -0.42 0.00 0.00 57.16 54.04 3kp1 n GLU 617 Cb 0.49 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.47 2.28 -0.09 -0.32 3.76 -1.26 -4.85 115.29 113.34 3kp1 s HIS 618 Ca 0.39 0.48 0.21 0.00 -0.15 0.00 0.00 55.06 55.99 3kp1 s HIS 618 Cb 0.23 -4.39 -0.30 0.00 1.11 0.00 0.00 32.58 29.23 3kp1 s HIS 618 CO 0.32 -1.98 0.36 -1.13 -0.85 0.00 0.00 174.74 171.46 3kp1 n SER 619 N 9.57 0.03 -0.03 1.40 3.41 -1.26 -4.67 113.62 122.07 3kp1 n SER 619 Ca 0.13 0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3kp1 n SER 619 Cb 0.49 1.62 -0.03 0.00 -0.26 0.00 0.00 64.21 66.02 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 0.94 -0.39 -3.33 2.07 -2.00 -2.94 116.25 110.60 3kp1 h VAL 620 Ca -0.18 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3kp1 h VAL 620 Cb 1.42 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3kp1 h VAL 620 CO 0.01 0.02 -0.18 1.23 0.02 0.00 0.00 177.57 178.67 3kp1 h GLY 621 N 0.12 0.11 0.80 2.17 0.00 -2.00 0.47 103.07 104.74 3kp1 h GLY 621 Ca 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3kp1 h GLY 621 CO -0.09 -0.19 0.02 -2.00 0.00 0.00 0.00 176.54 174.28 3kp1 h LEU 622 N -0.11 0.19 -2.07 3.11 5.85 -1.87 -2.62 115.31 117.79 3kp1 h LEU 622 Ca 0.19 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kp1 h LEU 622 Cb 0.41 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3kp1 h LEU 622 CO -0.47 0.40 0.03 0.03 -0.34 0.00 0.00 178.44 178.10 3kp1 h ARG 623 N -0.02 0.00 -0.17 1.25 3.08 -1.24 -1.84 114.38 115.42 3kp1 h ARG 623 Ca 0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3kp1 h ARG 623 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kp1 h ARG 623 CO 0.00 0.00 -0.18 1.49 -1.07 0.00 0.00 179.97 180.21 3kp1 h GLU 624 N 0.00 0.29 -0.11 0.04 4.57 -0.54 0.32 114.58 119.16 3kp1 h GLU 624 Ca 0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3kp1 h GLU 624 Cb 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3kp1 h GLU 624 CO -0.00 0.48 0.00 1.33 -1.18 0.00 0.00 179.01 179.64 3kp1 n VAL 625 N -4.21 0.13 -0.08 0.32 0.24 -0.72 -4.13 118.33 109.89 3kp1 n VAL 625 Ca -0.01 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.79 3kp1 n VAL 625 Cb 0.32 0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 33.18 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 0.40 1.03 -1.69 1.34 5.41 -0.54 -0.63 119.36 124.68 3kp1 n ILE 626 Ca 0.17 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.36 3kp1 n ILE 626 Cb 0.38 -1.80 -0.00 0.00 -0.71 0.00 0.00 39.64 37.51 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 -3.83 2.62 0.24 4.38 8.00 0.10 -2.07 116.55 126.00 3kp1 n ASP 627 Ca -0.29 1.17 0.08 0.00 0.71 0.00 0.00 54.79 56.46 3kp1 n ASP 627 Cb 0.66 -1.48 0.61 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.37 0.94 -0.48 0.53 2.10 -1.89 0.17 117.51 121.25 3kp1 h ILE 628 Ca -0.46 -0.47 0.07 0.00 1.08 0.00 0.00 64.86 65.07 3kp1 h ILE 628 Cb 1.29 1.27 -0.09 0.00 -1.09 0.00 0.00 36.82 38.19 3kp1 h ILE 628 CO 0.61 0.13 -0.47 0.50 -1.08 0.00 0.00 178.15 177.84 3kp1 h LYS 629 N 0.00 -0.30 -0.85 2.19 1.63 -1.93 -1.44 116.57 115.87 3kp1 h LYS 629 Ca -0.00 0.02 -0.56 0.00 -0.85 0.00 0.00 60.65 59.26 3kp1 h LYS 629 Cb 0.26 0.07 -0.30 0.00 -0.60 0.00 0.00 32.23 31.65 3kp1 h LYS 629 CO 0.02 -0.20 0.28 0.72 -3.45 0.00 0.00 179.45 176.82 3kp1 n HIS 630 N -5.40 2.80 -2.04 1.91 8.25 -1.25 -4.90 115.22 114.58 3kp1 n HIS 630 Ca -0.01 -2.49 -0.00 0.00 -0.26 0.00 0.00 57.72 54.96 3kp1 n HIS 630 Cb 0.35 -0.98 -0.00 0.00 1.12 0.00 0.00 29.99 30.48 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 -0.92 0.41 3.69 -1.41 0.00 -0.54 -4.64 105.19 101.77 3kp1 n GLY 631 Ca 0.54 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.00 1.59 0.43 -0.02 0.00 0.61 -3.05 107.32 103.89 3kp1 s GLY 632 Ca 0.00 -0.17 0.30 0.00 0.00 0.00 0.00 44.72 44.84 3kp1 s GLY 632 CO 0.00 0.37 1.89 0.16 0.00 0.00 0.00 173.10 175.53 3kp1 h ILE 633 N -1.74 0.00 0.00 0.90 3.07 -0.70 0.09 117.51 119.12 3kp1 h ILE 633 Ca -0.52 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.74 3kp1 h ILE 633 Cb 1.30 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 3kp1 h ILE 633 CO 0.55 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.81 3kp1 n GLU 634 N -2.59 0.16 0.29 0.16 0.28 -0.88 -1.54 120.64 116.53 3kp1 n GLU 634 Ca -0.00 0.49 0.14 0.00 -0.16 0.00 0.00 57.16 57.62 3kp1 n GLU 634 Cb 0.14 -1.88 0.85 0.00 1.43 0.00 0.00 31.44 31.99 3kp1 n GLU 634 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3kp1 h LYS 635 N 0.00 0.00 -0.33 3.44 3.64 -1.20 -2.68 116.57 119.44 3kp1 h LYS 635 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kp1 h LYS 635 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3kp1 h LYS 635 CO 0.00 0.02 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 3kp1 n TYR 636 N -3.94 0.42 -0.60 1.91 4.01 -0.59 -4.95 117.16 113.42 3kp1 n TYR 636 Ca -0.03 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3kp1 n TYR 636 Cb 0.10 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.96 0.65 3.72 2.72 0.00 -1.01 -4.68 105.19 107.55 3kp1 n GLY 637 Ca 0.14 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 3.50 -0.29 1.61 1.01 -1.22 -4.73 120.40 118.28 3kp1 s VAL 638 Ca 0.00 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 3kp1 s VAL 638 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3kp1 s VAL 638 CO 0.00 0.10 0.87 -0.70 0.00 0.00 0.00 175.10 175.38 3kp1 s GLU 639 N 0.81 4.07 -0.19 2.72 2.12 -0.45 -4.54 118.70 123.24 3kp1 s GLU 639 Ca 0.61 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 3kp1 s GLU 639 Cb -0.35 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 3kp1 s GLU 639 CO 0.32 -0.68 -0.05 0.08 -0.54 0.00 0.00 175.26 174.39 3kp1 s VAL 640 N 3.08 3.45 -0.45 3.70 1.01 -1.26 -0.75 120.40 129.18 3kp1 s VAL 640 Ca 0.36 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 3kp1 s VAL 640 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3kp1 s VAL 640 CO 0.11 0.45 0.43 -1.00 0.00 0.00 0.00 175.10 175.09 3kp1 s HIS 641 N 1.08 3.19 -0.23 5.22 3.76 0.01 -4.99 115.29 123.33 3kp1 s HIS 641 Ca 0.01 -0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 54.15 3kp1 s HIS 641 Cb -0.15 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 3kp1 s HIS 641 CO -0.00 -0.76 0.41 -0.47 -0.85 0.00 0.00 174.74 173.07 3kp1 s TYR 642 N 1.98 3.33 -1.22 1.40 5.04 -1.26 -0.99 117.35 125.62 3kp1 s TYR 642 Ca 0.09 0.57 0.23 0.00 -2.44 0.00 0.00 57.07 55.52 3kp1 s TYR 642 Cb -0.20 -2.57 0.07 0.00 0.35 0.00 0.00 41.96 39.61 3kp1 s TYR 642 CO 0.11 -0.11 1.12 1.28 -1.34 0.00 0.00 175.55 176.60 3kp1 n LEU 643 N 4.85 1.03 0.00 6.97 4.77 0.27 -4.96 117.00 129.93 3kp1 n LEU 643 Ca -0.08 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3kp1 n LEU 643 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kp1 n LEU 643 CO 0.39 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3kp1 n GLY 644 N 1.47 -1.11 3.75 -0.72 0.00 -1.26 -4.93 105.19 102.39 3kp1 n GLY 644 Ca 0.06 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 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 2.56 -1.51 2.61 -4.23 -1.26 -1.60 115.64 112.21 3kp1 s THR 645 Ca 0.00 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3kp1 s THR 645 Cb 0.00 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.93 3kp1 s THR 645 CO 0.00 -0.06 0.75 -1.20 -0.54 0.00 0.00 174.62 173.56 3kp1 n SER 646 N -1.23 -2.69 -4.63 3.99 7.64 -0.30 -4.91 113.62 111.48 3kp1 n SER 646 Ca -0.01 -0.90 -0.39 0.00 1.01 0.00 0.00 58.87 58.58 3kp1 n SER 646 Cb 0.63 -3.42 -0.08 0.00 -1.01 0.00 0.00 64.21 60.33 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 -3.53 5.17 0.36 0.44 1.01 -0.76 -4.70 120.40 118.38 3kp1 s VAL 647 Ca 0.41 0.66 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 3kp1 s VAL 647 Cb -0.21 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 3kp1 s VAL 647 CO 0.87 0.18 1.38 -2.65 0.00 0.00 0.00 175.10 174.87 3kp1 n PRO 648 N 5.10 2.36 -0.34 2.72 -0.02 -1.26 -1.20 135.00 142.36 3kp1 n PRO 648 Ca -0.08 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 3kp1 n PRO 648 Cb 0.51 -2.47 0.35 0.00 -0.02 0.00 0.00 33.50 31.86 3kp1 n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kp1 h VAL 649 N 2.72 0.71 -0.31 -1.45 2.07 -1.95 -0.67 116.25 117.38 3kp1 h VAL 649 Ca -0.48 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 3kp1 h VAL 649 Cb 1.27 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3kp1 h VAL 649 CO 0.63 0.13 -0.36 -0.08 0.02 0.00 0.00 177.57 177.91 3kp1 h GLU 650 N 0.72 0.71 -0.47 1.57 4.81 -1.95 -2.68 114.58 117.29 3kp1 h GLU 650 Ca 0.56 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3kp1 h GLU 650 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3kp1 h GLU 650 CO -0.34 0.96 0.13 -0.22 -0.73 0.00 0.00 179.01 178.81 3kp1 h LYS 651 N 0.59 0.71 -0.39 1.92 1.63 -1.49 -1.63 116.57 117.91 3kp1 h LYS 651 Ca 0.06 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 3kp1 h LYS 651 Cb 0.89 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3kp1 h LYS 651 CO 0.08 0.63 0.11 1.25 -3.45 0.00 0.00 179.45 178.07 3kp1 h LEU 652 N 0.69 0.58 -0.61 5.20 5.85 -1.15 -1.71 115.31 124.16 3kp1 h LEU 652 Ca 0.16 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 3kp1 h LEU 652 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3kp1 h LEU 652 CO -0.01 0.64 0.09 0.58 -0.34 0.00 0.00 178.44 179.40 3kp1 h VAL 653 N 0.48 1.26 -0.61 1.05 2.07 -1.13 -1.68 116.25 117.69 3kp1 h VAL 653 Ca 0.12 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3kp1 h VAL 653 Cb 0.28 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3kp1 h VAL 653 CO -0.00 0.38 0.15 0.44 0.02 0.00 0.00 177.57 178.55 3kp1 h ASP 654 N 0.92 0.89 -0.40 0.57 3.32 -1.20 -1.92 116.42 118.60 3kp1 h ASP 654 Ca 0.18 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3kp1 h ASP 654 Cb 0.44 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3kp1 h ASP 654 CO 0.01 0.87 -0.05 0.00 -1.72 0.00 0.00 179.24 178.35 3kp1 h ALA 655 N 1.25 1.02 -0.90 3.45 0.00 -1.06 0.17 119.26 123.18 3kp1 h ALA 655 Ca 0.20 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kp1 h ALA 655 Cb 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3kp1 h ALA 655 CO -0.00 0.60 0.59 0.00 0.00 0.00 0.00 179.25 180.44 3kp1 h ALA 656 N 1.19 1.35 -0.01 0.00 0.00 -0.78 -1.25 119.26 119.77 3kp1 h ALA 656 Ca 0.14 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3kp1 h ALA 656 Cb 0.53 -0.36 0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kp1 h ALA 656 CO 0.03 0.60 -0.78 0.82 0.00 0.00 0.00 179.25 179.92 3kp1 h ILE 657 N 1.22 1.36 -0.37 0.00 2.04 -0.89 -0.09 117.51 120.78 3kp1 h ILE 657 Ca 0.33 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 3kp1 h ILE 657 Cb -0.13 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3kp1 h ILE 657 CO -0.07 0.64 0.17 -0.08 0.00 0.00 0.00 178.15 178.81 3kp1 h GLU 658 N 0.12 0.51 -0.03 2.37 4.81 -0.42 -2.78 114.58 119.17 3kp1 h GLU 658 Ca -0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3kp1 h GLU 658 Cb 1.46 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3kp1 h GLU 658 CO 0.15 0.41 -0.07 1.28 -0.73 0.00 0.00 179.01 180.06 3kp1 n LEU 659 N -4.41 2.83 -3.67 1.64 4.77 -0.49 -4.96 117.00 112.71 3kp1 n LEU 659 Ca 0.02 -0.97 -0.24 0.00 -0.03 0.00 0.00 56.01 54.80 3kp1 n LEU 659 Cb 0.12 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3kp1 n LEU 659 CO 0.36 0.48 0.15 1.17 -1.33 0.00 0.00 177.39 178.22 3kp1 n LYS 660 N 1.14 -6.73 -1.32 3.23 4.81 -0.84 -4.93 118.16 113.52 3kp1 n LYS 660 Ca 0.13 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.98 3kp1 n LYS 660 Cb 0.57 -5.69 0.10 0.00 0.02 0.00 0.00 35.03 30.03 3kp1 n LYS 660 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kp1 s ALA 661 N -3.36 2.03 -0.41 3.14 0.00 -0.10 -4.94 121.76 118.11 3kp1 s ALA 661 Ca 0.44 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.47 3kp1 s ALA 661 Cb -0.20 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 3kp1 s ALA 661 CO 0.77 -2.01 0.88 -0.25 0.00 0.00 0.00 175.76 175.14 3kp1 n ASP 662 N -2.93 0.52 -3.61 0.00 8.00 0.19 -4.95 116.55 113.77 3kp1 n ASP 662 Ca 0.13 -0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 3kp1 n ASP 662 Cb 0.50 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.60 3kp1 n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kp1 s ALA 663 N -3.30 -1.21 -0.16 2.24 0.00 -1.11 -2.20 121.76 116.01 3kp1 s ALA 663 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 3kp1 s ALA 663 Cb 0.13 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 3kp1 s ALA 663 CO 0.83 -0.46 -0.13 0.42 0.00 0.00 0.00 175.76 176.42 3kp1 s ILE 664 N -2.26 2.83 -0.18 0.00 1.01 0.11 -1.78 121.20 120.94 3kp1 s ILE 664 Ca -0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3kp1 s ILE 664 Cb -0.01 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.26 3kp1 s ILE 664 CO -0.00 0.50 -0.15 -0.76 0.00 0.00 0.00 174.94 174.53 3kp1 s LEU 665 N 0.84 2.38 -0.00 2.97 1.43 -0.15 -1.13 118.68 125.02 3kp1 s LEU 665 Ca -0.04 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3kp1 s LEU 665 Cb -0.15 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3kp1 s LEU 665 CO -0.00 0.02 -0.15 0.00 0.23 0.00 0.00 176.35 176.45 3kp1 s ALA 666 N 1.20 1.23 -0.13 4.21 0.00 -0.67 -1.99 121.76 125.62 3kp1 s ALA 666 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3kp1 s ALA 666 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3kp1 s ALA 666 CO -0.07 0.29 -0.04 0.45 0.00 0.00 0.00 175.76 176.39 3kp1 s SER 667 N -0.48 4.77 -0.31 0.00 0.15 -0.08 -1.49 113.70 116.27 3kp1 s SER 667 Ca 0.05 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.61 3kp1 s SER 667 Cb -0.06 -1.65 0.09 0.00 -1.71 0.00 0.00 66.02 62.69 3kp1 s SER 667 CO -0.00 0.22 0.06 0.42 1.20 0.00 0.00 173.24 175.14 3kp1 s THR 668 N 0.07 1.37 -0.21 6.45 -4.23 0.07 -2.10 115.64 117.07 3kp1 s THR 668 Ca -0.01 -1.64 -0.19 0.00 -1.18 0.00 0.00 61.69 58.67 3kp1 s THR 668 Cb -0.14 -1.98 -0.16 0.00 1.34 0.00 0.00 72.50 71.57 3kp1 s THR 668 CO 0.03 -0.57 0.07 -0.38 -0.54 0.00 0.00 174.62 173.23 3kp1 n ILE 669 N 4.65 1.52 -1.88 2.99 2.08 -1.26 -4.25 119.36 123.21 3kp1 n ILE 669 Ca -0.02 -0.03 -0.41 0.00 0.56 0.00 0.00 62.75 62.85 3kp1 n ILE 669 Cb 0.42 -2.08 -0.02 0.00 -0.75 0.00 0.00 39.64 37.21 3kp1 n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3kp1 s ILE 670 N -2.37 2.30 0.00 1.39 1.01 -1.26 -4.60 121.20 117.67 3kp1 s ILE 670 Ca -0.28 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3kp1 s ILE 670 Cb 0.06 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3kp1 s ILE 670 CO 0.52 0.04 0.67 -1.54 0.00 0.00 0.00 174.94 174.63 3kp1 n SER 671 N 2.04 0.73 -4.66 3.58 3.41 -1.26 -3.96 113.62 113.49 3kp1 n SER 671 Ca 0.07 -1.36 -0.47 0.00 -0.26 0.00 0.00 58.87 56.85 3kp1 n SER 671 Cb 0.39 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 3kp1 n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kp1 n HIS 672 N -0.18 2.22 -1.68 7.33 -0.00 -1.26 -1.45 115.22 120.21 3kp1 n HIS 672 Ca 0.00 0.27 -0.14 0.00 -0.00 0.00 0.00 57.72 57.85 3kp1 n HIS 672 Cb 0.40 -2.54 -0.04 0.00 -0.00 0.00 0.00 29.99 27.81 3kp1 n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kp1 n ASP 673 N 3.69 -4.54 -2.63 0.26 2.03 -1.26 -2.06 116.55 112.04 3kp1 n ASP 673 Ca 0.18 0.23 -0.19 0.00 0.52 0.00 0.00 54.79 55.53 3kp1 n ASP 673 Cb 0.28 -3.41 0.00 0.00 -0.72 0.00 0.00 41.12 37.27 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 -0.37 -5.14 0.21 1.67 8.00 -0.53 -4.86 116.55 115.53 3kp1 n ASP 674 Ca -0.15 -0.04 0.07 0.00 0.71 0.00 0.00 54.79 55.38 3kp1 n ASP 674 Cb 0.51 -4.27 0.59 0.00 -0.02 0.00 0.00 41.12 37.93 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 -0.37 1.03 -0.20 0.53 6.09 -1.53 -2.41 117.51 120.65 3kp1 h ILE 675 Ca -0.44 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 62.95 3kp1 h ILE 675 Cb 1.31 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.54 3kp1 h ILE 675 CO 0.50 0.03 0.09 1.12 -3.07 0.00 0.00 178.15 176.83 3kp1 h HIS 676 N 0.10 0.30 0.00 2.19 2.07 -1.82 -1.23 115.15 116.75 3kp1 h HIS 676 Ca 0.03 -0.02 -0.10 0.00 -2.85 0.00 0.00 60.37 57.43 3kp1 h HIS 676 Cb 0.02 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 29.90 3kp1 h HIS 676 CO 0.00 0.32 -0.47 1.88 -3.07 0.00 0.00 177.93 176.59 3kp1 h TYR 677 N 0.19 0.00 -0.49 6.12 0.05 -1.87 -2.84 116.97 118.12 3kp1 h TYR 677 Ca 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 3kp1 h TYR 677 Cb 0.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3kp1 h TYR 677 CO -0.02 0.47 -0.21 0.87 -1.05 0.00 0.00 178.16 178.21 3kp1 h LYS 678 N 0.00 1.01 0.00 4.88 1.57 -1.18 -2.78 116.57 120.07 3kp1 h LYS 678 Ca -0.00 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 3kp1 h LYS 678 Cb 0.84 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3kp1 h LYS 678 CO 0.06 1.11 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.82 3kp1 h ASN 679 N 0.87 0.00 -0.41 0.86 2.35 -1.09 -1.91 115.58 116.25 3kp1 h ASN 679 Ca 0.11 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 3kp1 h ASN 679 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 3kp1 h ASN 679 CO 0.07 0.32 -0.27 0.24 -1.65 0.00 0.00 177.43 176.13 3kp1 h MET 680 N 0.00 0.90 -0.44 0.81 2.86 -1.36 -2.58 114.93 115.12 3kp1 h MET 680 Ca -0.00 -0.43 -0.09 0.00 -2.06 0.00 0.00 59.70 57.12 3kp1 h MET 680 Cb 0.77 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3kp1 h MET 680 CO 0.04 1.08 -0.08 -0.22 1.06 0.00 0.00 176.91 178.79 3kp1 h LYS 681 N 0.72 0.82 -0.60 1.72 3.64 -1.21 -2.29 116.57 119.36 3kp1 h LYS 681 Ca 0.08 -0.30 0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3kp1 h LYS 681 Cb 0.85 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 3kp1 h LYS 681 CO 0.07 0.92 0.17 0.00 -2.27 0.00 0.00 179.45 178.34 3kp1 h ARG 682 N 0.65 0.30 -0.33 1.90 3.08 -1.33 0.24 114.38 118.89 3kp1 h ARG 682 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3kp1 h ARG 682 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3kp1 h ARG 682 CO 0.04 0.20 0.13 0.82 -1.07 0.00 0.00 179.97 180.09 3kp1 h ILE 683 N 0.31 1.19 0.06 2.04 2.04 -1.29 0.29 117.51 122.15 3kp1 h ILE 683 Ca 0.31 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3kp1 h ILE 683 Cb 0.44 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3kp1 h ILE 683 CO -0.37 0.20 -0.03 -0.74 0.00 0.00 0.00 178.15 177.22 3kp1 h HIS 684 N 0.39 -0.07 -0.75 1.37 2.76 -0.97 0.06 115.15 117.94 3kp1 h HIS 684 Ca 0.11 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3kp1 h HIS 684 Cb 0.19 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 3kp1 h HIS 684 CO -0.00 -0.04 0.49 0.93 -1.30 0.00 0.00 177.93 178.00 3kp1 h GLU 685 N -0.08 0.99 -0.50 5.26 5.08 -0.28 -0.75 114.58 124.29 3kp1 h GLU 685 Ca -0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3kp1 h GLU 685 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3kp1 h GLU 685 CO 0.01 0.66 0.09 -0.07 -1.00 0.00 0.00 179.01 178.71 3kp1 h LEU 686 N 1.01 0.73 -0.04 1.33 3.38 -0.33 -1.65 115.31 119.74 3kp1 h LEU 686 Ca 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kp1 h LEU 686 Cb -0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3kp1 h LEU 686 CO -0.06 0.74 0.02 0.00 0.09 0.00 0.00 178.44 179.23 3kp1 h ALA 687 N 1.36 0.05 0.61 1.53 0.00 0.13 -1.66 119.26 121.27 3kp1 h ALA 687 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kp1 h ALA 687 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kp1 h ALA 687 CO 0.00 -0.42 -0.46 0.28 0.00 0.00 0.00 179.25 178.66 3kp1 h VAL 688 N -0.03 0.00 -1.03 0.00 2.07 -1.01 -2.01 116.25 114.24 3kp1 h VAL 688 Ca 0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.79 3kp1 h VAL 688 Cb 0.08 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.76 3kp1 h VAL 688 CO -0.00 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.17 3kp1 h GLU 689 N -1.03 0.39 0.00 1.57 4.81 -1.32 0.58 114.58 119.58 3kp1 h GLU 689 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3kp1 h GLU 689 Cb 0.85 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3kp1 h GLU 689 CO 0.03 0.26 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 3kp1 n LYS 690 N -4.62 0.06 -2.72 1.92 4.76 -0.63 -4.93 118.16 112.01 3kp1 n LYS 690 Ca 0.25 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.64 3kp1 n LYS 690 Cb 0.85 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.58 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 1.27 0.25 0.00 0.72 0.00 0.20 -4.94 105.19 102.69 3kp1 n GLY 691 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.77 0.00 -0.01 -0.61 -5.35 -0.89 -4.87 119.36 104.86 3kp1 n ILE 692 Ca -0.06 -0.04 0.17 0.00 -0.27 0.00 0.00 62.75 62.55 3kp1 n ILE 692 Cb 0.55 1.26 0.63 0.00 -1.74 0.00 0.00 39.64 40.34 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 0.00 0.12 0.00 6.28 9.65 -1.81 0.35 114.38 128.97 3kp1 h ARG 693 Ca 0.00 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3kp1 h ARG 693 Cb 0.13 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3kp1 h ARG 693 CO 0.00 0.08 -0.10 0.38 2.80 0.00 0.00 179.97 183.13 3kp1 h ASP 694 N 0.12 0.00 -0.54 -3.80 2.03 -1.90 -3.29 116.42 109.04 3kp1 h ASP 694 Ca 0.25 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.23 3kp1 h ASP 694 Cb 0.83 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.14 3kp1 h ASP 694 CO -0.03 0.10 -0.01 0.29 -1.03 0.00 0.00 179.24 178.56 3kp1 n LYS 695 N -3.15 2.20 -3.61 4.15 5.02 0.12 -4.98 118.16 117.90 3kp1 n LYS 695 Ca 0.03 -3.32 -0.16 0.00 -2.02 0.00 0.00 58.31 52.84 3kp1 n LYS 695 Cb 0.50 -1.97 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.61 0.01 -0.05 -0.18 2.07 -1.12 -4.92 121.20 113.40 3kp1 s ILE 696 Ca 0.49 -0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.55 3kp1 s ILE 696 Cb 0.43 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 3kp1 s ILE 696 CO 0.01 -0.05 0.25 -0.04 -1.91 0.00 0.00 174.94 173.20 3kp1 s MET 697 N -0.71 3.61 -0.20 3.50 -1.94 -0.93 -4.94 119.30 117.70 3kp1 s MET 697 Ca -0.08 0.04 -0.01 0.00 -1.71 0.00 0.00 55.69 53.93 3kp1 s MET 697 Cb -0.02 -3.17 0.05 0.00 2.01 0.00 0.00 34.83 33.70 3kp1 s MET 697 CO 0.06 0.72 -0.01 0.42 -0.01 0.00 0.00 175.02 176.20 3kp1 s ILE 698 N -1.11 0.99 -0.09 2.53 1.01 -1.26 -0.71 121.20 122.56 3kp1 s ILE 698 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3kp1 s ILE 698 Cb -0.14 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3kp1 s ILE 698 CO 0.10 -0.09 -0.10 -0.83 0.00 0.00 0.00 174.94 174.02 3kp1 s GLY 699 N 1.65 1.61 0.04 6.18 0.00 -0.28 -1.02 107.32 115.50 3kp1 s GLY 699 Ca -0.02 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.84 3kp1 s GLY 699 CO -0.07 -0.50 -0.15 0.00 0.00 0.00 0.00 173.10 172.38 3kp1 s GLY 701 N -1.08 0.83 0.00 0.00 0.00 -0.55 -1.17 107.32 105.35 3kp1 s GLY 701 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3kp1 s GLY 701 CO 0.01 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.76 3kp1 n GLY 702 N -0.29 2.94 0.28 0.20 0.00 -0.69 -0.75 105.19 106.88 3kp1 n GLY 702 Ca -0.02 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 0.98 1.08 -0.41 2.61 2.02 -1.81 -2.34 112.91 115.03 3kp1 h THR 703 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3kp1 h THR 703 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3kp1 h THR 703 CO 0.00 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.97 3kp1 n GLN 704 N -4.47 3.15 -2.89 6.66 1.13 -1.26 -4.22 117.38 115.47 3kp1 n GLN 704 Ca 0.00 -2.56 -0.42 0.00 -1.94 0.00 0.00 57.00 52.09 3kp1 n GLN 704 Cb 0.10 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 28.77 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 -1.84 4.77 -0.29 5.09 1.01 -0.88 -5.03 120.40 123.22 3kp1 s VAL 705 Ca 0.38 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 3kp1 s VAL 705 Cb 0.25 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3kp1 s VAL 705 CO 0.16 -0.23 0.54 -0.89 0.00 0.00 0.00 175.10 174.68 3kp1 s THR 706 N 3.01 5.02 0.31 3.92 2.01 -1.26 -3.74 115.64 124.91 3kp1 s THR 706 Ca 0.35 0.76 0.07 0.00 0.31 0.00 0.00 61.69 63.17 3kp1 s THR 706 Cb -0.14 -3.90 0.30 0.00 0.01 0.00 0.00 72.50 68.77 3kp1 s THR 706 CO 0.11 -0.03 1.70 -0.65 -0.69 0.00 0.00 174.62 175.06 3kp1 h PRO 707 N 8.16 0.42 -0.09 4.92 0.11 -1.92 -0.65 132.00 142.95 3kp1 h PRO 707 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kp1 h PRO 707 Cb 1.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3kp1 h PRO 707 CO 0.75 0.28 0.06 0.93 -0.21 0.00 0.00 178.00 179.80 3kp1 h GLU 708 N 0.43 0.12 -0.11 1.05 3.07 -1.93 -2.63 114.58 114.58 3kp1 h GLU 708 Ca 0.61 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.44 3kp1 h GLU 708 Cb 1.21 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3kp1 h GLU 708 CO -0.53 0.08 -0.06 0.28 -1.40 0.00 0.00 179.01 177.38 3kp1 h VAL 709 N 0.12 1.12 -0.10 3.13 2.07 -1.56 -2.89 116.25 118.13 3kp1 h VAL 709 Ca 0.03 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kp1 h VAL 709 Cb -0.01 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kp1 h VAL 709 CO -0.01 0.15 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 3kp1 h ALA 710 N 1.78 0.15 0.00 1.67 0.00 -1.07 -2.85 119.26 118.95 3kp1 h ALA 710 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kp1 h ALA 710 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kp1 h ALA 710 CO 0.01 -0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.49 3kp1 h VAL 711 N -0.16 0.65 0.00 0.00 2.07 -1.36 0.77 116.25 118.22 3kp1 h VAL 711 Ca 0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kp1 h VAL 711 Cb 0.59 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3kp1 h VAL 711 CO 0.02 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3kp1 n LYS 712 N -3.98 0.19 0.05 1.57 5.02 -1.08 -2.07 118.16 117.87 3kp1 n LYS 712 Ca -0.03 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.49 3kp1 n LYS 712 Cb 0.11 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3kp1 n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kp1 n GLN 713 N -1.36 0.44 0.00 1.97 1.13 0.26 -4.96 117.38 114.86 3kp1 n GLN 713 Ca 0.08 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 3kp1 n GLN 713 Cb 0.19 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.86 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 1.29 1.44 3.88 1.08 0.00 -0.88 -4.35 105.19 107.65 3kp1 n GLY 714 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 3.76 0.17 1.61 -7.23 -1.25 -4.92 120.40 110.86 3kp1 s VAL 715 Ca 0.00 0.51 0.10 0.00 -1.81 0.00 0.00 61.98 60.78 3kp1 s VAL 715 Cb 0.00 -3.56 -0.08 0.00 0.56 0.00 0.00 36.38 33.31 3kp1 s VAL 715 CO 0.00 -0.72 1.48 0.44 -0.31 0.00 0.00 175.10 175.99 3kp1 h ASP 716 N -0.53 0.00 -4.75 4.85 3.32 -1.42 -3.39 116.42 114.49 3kp1 h ASP 716 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3kp1 h ASP 716 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 3kp1 h ASP 716 CO 0.63 0.74 0.30 0.00 -1.72 0.00 0.00 179.24 179.20 3kp1 s ALA 717 N -3.19 -1.79 0.23 3.45 0.00 -1.14 -4.92 121.76 114.40 3kp1 s ALA 717 Ca 0.00 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.32 3kp1 s ALA 717 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3kp1 s ALA 717 CO 0.78 -0.43 -0.10 0.20 0.00 0.00 0.00 175.76 176.21 3kp1 s GLY 718 N -1.46 1.74 -0.04 0.00 0.00 -1.26 -1.41 107.32 104.89 3kp1 s GLY 718 Ca -0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3kp1 s GLY 718 CO 0.04 -1.68 0.08 -1.36 0.00 0.00 0.00 173.10 170.17 3kp1 s PHE 719 N -2.07 -0.03 0.00 1.90 0.08 -0.32 -4.60 117.98 112.94 3kp1 s PHE 719 Ca 0.28 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.62 3kp1 s PHE 719 Cb -0.07 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 3kp1 s PHE 719 CO 0.16 -0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 3kp1 n GLY 720 N 4.62 3.59 3.54 4.36 0.00 -1.25 -1.70 105.19 118.35 3kp1 n GLY 720 Ca -0.18 -1.89 -0.49 0.00 0.00 0.00 0.00 46.02 43.45 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 0.86 -1.02 1.61 1.74 -1.26 -2.55 116.66 116.04 3kp1 n ARG 721 Ca 0.00 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 3kp1 n ARG 721 Cb 0.00 -1.68 -0.00 0.00 -1.02 0.00 0.00 32.46 29.76 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 1.79 0.46 3.77 -0.13 0.00 -1.26 -5.01 105.19 104.82 3kp1 n GLY 722 Ca 0.15 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.18 6.30 0.31 1.61 0.01 -1.06 -5.04 113.70 113.66 3kp1 s SER 723 Ca 0.00 2.63 0.08 0.00 1.31 0.00 0.00 55.95 59.97 3kp1 s SER 723 Cb 0.00 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 3kp1 s SER 723 CO 0.00 -0.86 -0.06 -0.54 0.41 0.00 0.00 173.24 172.19 3kp1 s LYS 724 N -2.27 1.69 0.36 12.44 1.02 -1.26 -4.89 119.74 126.82 3kp1 s LYS 724 Ca 0.57 -1.87 0.11 0.00 0.02 0.00 0.00 55.97 54.80 3kp1 s LYS 724 Cb -0.37 -1.38 0.87 0.00 -0.52 0.00 0.00 37.83 36.42 3kp1 s LYS 724 CO 0.48 0.06 1.84 0.78 -0.92 0.00 0.00 175.35 177.59 3kp1 h GLY 725 N 2.14 1.27 0.97 -3.33 0.00 -1.76 -2.09 103.07 100.28 3kp1 h GLY 725 Ca -0.41 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 46.65 3kp1 h GLY 725 CO 0.69 0.02 0.44 1.19 0.00 0.00 0.00 176.54 178.89 3kp1 h ILE 726 N 0.63 1.15 -0.74 2.60 6.09 -1.92 0.14 117.51 125.46 3kp1 h ILE 726 Ca 0.49 -0.31 0.02 0.00 -1.37 0.00 0.00 64.86 63.70 3kp1 h ILE 726 Cb 0.91 0.18 -0.04 0.00 0.47 0.00 0.00 36.82 38.34 3kp1 h ILE 726 CO -0.25 0.16 0.48 0.45 -3.07 0.00 0.00 178.15 175.92 3kp1 h HIS 727 N 0.89 0.90 -0.15 2.19 3.86 -1.78 -0.43 115.15 120.63 3kp1 h HIS 727 Ca 0.25 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 3kp1 h HIS 727 Cb -0.07 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.10 3kp1 h HIS 727 CO -0.03 0.54 -0.22 0.28 0.86 0.00 0.00 177.93 179.36 3kp1 h VAL 728 N 0.95 1.36 -0.03 2.45 2.07 -1.23 -1.73 116.25 120.09 3kp1 h VAL 728 Ca 0.29 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 3kp1 h VAL 728 Cb -0.04 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kp1 h VAL 728 CO -0.09 0.43 -0.36 0.00 0.02 0.00 0.00 177.57 177.57 3kp1 h ALA 729 N 0.58 1.35 0.08 1.67 0.00 -0.91 -0.19 119.26 121.85 3kp1 h ALA 729 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kp1 h ALA 729 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kp1 h ALA 729 CO 0.05 0.48 -0.04 1.15 0.00 0.00 0.00 179.25 180.89 3kp1 h THR 730 N 0.05 1.11 -0.23 0.00 2.02 -0.99 -1.30 112.91 113.57 3kp1 h THR 730 Ca 0.00 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.49 3kp1 h THR 730 Cb 0.66 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 3kp1 h THR 730 CO 0.05 0.18 -0.39 0.15 0.37 0.00 0.00 175.52 175.88 3kp1 h PHE 731 N -0.45 -1.12 -0.80 3.16 3.57 -1.13 -1.57 116.94 118.59 3kp1 h PHE 731 Ca -0.01 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.65 3kp1 h PHE 731 Cb 0.39 0.53 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 3kp1 h PHE 731 CO 0.04 -0.44 0.52 -0.07 -2.23 0.00 0.00 178.31 176.13 3kp1 h LEU 732 N -0.41 0.62 0.03 0.59 3.38 -0.92 -0.99 115.31 117.61 3kp1 h LEU 732 Ca 0.11 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3kp1 h LEU 732 Cb 0.59 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kp1 h LEU 732 CO -0.45 0.35 -0.30 0.58 0.09 0.00 0.00 178.44 178.71 3kp1 h VAL 733 N 0.68 1.61 -0.08 1.22 2.07 -0.85 -2.93 116.25 117.96 3kp1 h VAL 733 Ca 0.38 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 3kp1 h VAL 733 Cb 0.54 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3kp1 h VAL 733 CO -0.15 0.59 0.01 0.11 0.02 0.00 0.00 177.57 178.15 3kp1 h LYS 734 N -0.61 0.14 -0.83 1.57 1.57 -1.10 -2.44 116.57 114.88 3kp1 h LYS 734 Ca -0.05 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3kp1 h LYS 734 Cb 1.13 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 3kp1 h LYS 734 CO 0.06 0.39 0.50 -0.22 -0.57 0.00 0.00 179.45 179.60 3kp1 h LYS 735 N -0.12 0.86 -0.38 3.15 1.63 -1.33 0.14 116.57 120.52 3kp1 h LYS 735 Ca 0.02 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 3kp1 h LYS 735 Cb 0.32 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3kp1 h LYS 735 CO 0.00 0.57 0.01 -0.09 -3.45 0.00 0.00 179.45 176.49 3kp1 h ARG 736 N 0.89 0.60 0.08 1.90 2.43 -1.42 -2.30 114.38 116.55 3kp1 h ARG 736 Ca 0.37 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3kp1 h ARG 736 Cb 0.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3kp1 h ARG 736 CO -0.20 0.62 -0.04 0.00 -1.51 0.00 0.00 179.97 178.84 3kp1 h ARG 737 N 0.57 -0.11 0.00 0.20 3.08 -0.85 -2.92 114.38 114.36 3kp1 h ARG 737 Ca 0.12 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kp1 h ARG 737 Cb 0.35 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kp1 h ARG 737 CO 0.01 0.32 0.03 -1.91 -1.07 0.00 0.00 179.97 177.35 3kp1 n GLU 738 N -4.93 0.00 -0.53 0.04 2.13 0.40 -0.68 120.64 117.07 3kp1 n GLU 738 Ca -0.08 0.09 0.08 0.00 0.66 0.00 0.00 57.16 57.91 3kp1 n GLU 738 Cb 0.24 -1.53 0.30 0.00 0.27 0.00 0.00 31.44 30.72 3kp1 n GLU 738 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kp1 n MET 739 N -1.00 3.52 0.00 5.31 2.81 -0.90 -5.05 117.12 121.80 3kp1 n MET 739 Ca 0.00 -2.77 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 3kp1 n MET 739 Cb 0.03 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 3kp1 n MET 739 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02