#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 3.42 0.51 3.23 0.52 -1.26 -5.01 118.95 120.36 3kp1 s ARG 8 Ca 0.00 -0.14 0.16 0.00 -0.52 0.00 0.00 55.73 55.23 3kp1 s ARG 8 Cb 0.00 -3.17 1.24 0.00 0.52 0.00 0.00 34.95 33.54 3kp1 s ARG 8 CO 0.00 0.78 2.13 -0.39 0.02 0.00 0.00 175.30 177.84 3kp1 h VAL 9 N 3.99 0.99 -0.44 3.52 -1.51 -2.01 -2.01 116.25 118.78 3kp1 h VAL 9 Ca -0.55 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3kp1 h VAL 9 Cb 1.23 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3kp1 h VAL 9 CO 0.58 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.47 3kp1 n ASN 10 N -4.53 3.50 -4.49 4.19 6.94 -1.26 -4.88 115.26 114.73 3kp1 n ASN 10 Ca -0.02 -1.99 -0.33 0.00 -0.02 0.00 0.00 54.58 52.22 3kp1 n ASN 10 Cb 0.12 -0.29 -0.13 0.00 -2.36 0.00 0.00 39.78 37.12 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 -1.43 2.84 0.58 -3.83 2.02 -0.76 -5.11 118.70 113.01 3kp1 s GLU 11 Ca 0.40 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 3kp1 s GLU 11 Cb 0.23 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 3kp1 s GLU 11 CO 0.32 0.53 1.27 0.15 0.02 0.00 0.00 175.26 177.55 3kp1 s LYS 12 N -0.47 3.02 0.22 1.61 1.02 -1.26 -4.61 119.74 119.26 3kp1 s LYS 12 Ca 0.06 2.00 -0.32 0.00 0.02 0.00 0.00 55.97 57.74 3kp1 s LYS 12 Cb -0.12 -2.06 -0.14 0.00 -0.52 0.00 0.00 37.83 34.98 3kp1 s LYS 12 CO 0.02 -1.22 1.27 1.28 -0.92 0.00 0.00 175.35 175.79 3kp1 n LEU 13 N -1.36 2.36 -4.37 3.17 4.77 -1.26 -4.92 117.00 115.39 3kp1 n LEU 13 Ca 0.12 1.15 -0.46 0.00 -0.03 0.00 0.00 56.01 56.79 3kp1 n LEU 13 Cb 0.48 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 3kp1 n LEU 13 CO 0.48 -0.89 0.63 -0.62 -1.33 0.00 0.00 177.39 175.66 3kp1 s ASP 14 N 0.09 6.77 0.22 -1.43 -1.08 -1.26 -4.89 116.67 115.09 3kp1 s ASP 14 Ca 0.69 -2.56 -0.07 0.00 -0.52 0.00 0.00 52.55 50.09 3kp1 s ASP 14 Cb -0.74 -2.27 0.18 0.00 -1.46 0.00 0.00 42.92 38.64 3kp1 s ASP 14 CO 0.52 -0.70 1.78 1.62 0.52 0.00 0.00 175.17 178.91 3kp1 h VAL 15 N 5.02 1.26 -0.92 1.11 3.04 -1.95 -1.01 116.25 122.80 3kp1 h VAL 15 Ca 0.13 -0.83 0.05 0.00 -1.01 0.00 0.00 66.70 65.04 3kp1 h VAL 15 Cb 1.02 0.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.59 3kp1 h VAL 15 CO 0.88 0.34 0.59 -0.33 -1.01 0.00 0.00 177.57 178.03 3kp1 h GLU 16 N 1.13 1.06 0.00 4.17 5.08 -1.99 -0.86 114.58 123.18 3kp1 h GLU 16 Ca 0.26 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3kp1 h GLU 16 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3kp1 h GLU 16 CO -0.02 0.70 -0.65 -0.97 -1.00 0.00 0.00 179.01 177.07 3kp1 h ASN 17 N 1.09 0.00 -0.60 1.42 -1.24 -1.82 -2.91 115.58 111.53 3kp1 h ASN 17 Ca 0.39 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.34 3kp1 h ASN 17 Cb 0.11 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 3kp1 h ASN 17 CO -0.15 0.65 0.14 0.40 -1.29 0.00 0.00 177.43 177.17 3kp1 h ILE 18 N 0.00 1.25 0.00 2.57 2.04 -0.41 -2.85 117.51 120.12 3kp1 h ILE 18 Ca -0.01 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3kp1 h ILE 18 Cb 1.15 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3kp1 h ILE 18 CO 0.08 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.76 3kp1 n LEU 19 N -4.34 0.00 -4.79 1.44 4.77 -0.40 -4.73 117.00 108.95 3kp1 n LEU 19 Ca 0.03 0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 3kp1 n LEU 19 Cb 0.25 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3kp1 n LEU 19 CO 0.41 -0.14 0.67 -0.54 -1.33 0.00 0.00 177.39 176.46 3kp1 s LYS 20 N -2.64 4.42 -1.46 3.23 1.02 -1.08 -4.16 119.74 119.07 3kp1 s LYS 20 Ca 0.15 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.47 3kp1 s LYS 20 Cb 0.11 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 3kp1 s LYS 20 CO 0.27 0.13 0.12 -0.25 -0.92 0.00 0.00 175.35 174.69 3kp1 n ASP 21 N 0.22 -5.10 0.26 2.83 8.00 -1.26 -4.85 116.55 116.66 3kp1 n ASP 21 Ca 0.03 -0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.62 3kp1 n ASP 21 Cb 0.51 -4.24 0.67 0.00 -0.02 0.00 0.00 41.12 38.03 3kp1 n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kp1 h LEU 22 N -0.26 0.00 -2.27 0.64 3.38 -1.85 0.12 115.31 115.07 3kp1 h LEU 22 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kp1 h LEU 22 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kp1 h LEU 22 CO 0.50 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.79 3kp1 h ASP 23 N 0.00 0.00 0.00 -0.43 2.03 -1.94 -1.83 116.42 114.26 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 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 3kp1 h ASP 23 CO 0.00 0.00 -0.34 0.29 -1.03 0.00 0.00 179.24 178.16 3kp1 n LYS 24 N -2.87 1.43 -2.82 4.15 4.76 0.42 -4.96 118.16 118.28 3kp1 n LYS 24 Ca -0.02 -1.15 -0.40 0.00 -2.87 0.00 0.00 58.31 53.87 3kp1 n LYS 24 Cb 0.12 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.36 3.95 0.00 2.13 5.04 -0.69 -5.06 117.35 120.36 3kp1 s TYR 25 Ca 0.22 1.83 0.02 0.00 -2.44 0.00 0.00 57.07 56.70 3kp1 s TYR 25 Cb 0.19 -2.92 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 3kp1 s TYR 25 CO 0.50 0.46 -0.08 0.99 -1.34 0.00 0.00 175.55 176.08 3kp1 s THR 26 N -1.08 0.59 0.31 4.34 2.01 -1.26 -5.07 115.64 115.48 3kp1 s THR 26 Ca 0.40 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 3kp1 s THR 26 Cb -0.25 -0.52 -0.11 0.00 0.01 0.00 0.00 72.50 71.63 3kp1 s THR 26 CO 0.30 0.07 1.46 -2.16 -0.69 0.00 0.00 174.62 173.60 3kp1 s PRO 27 N -0.42 4.21 0.30 4.92 0.04 -1.26 -4.90 135.00 137.88 3kp1 s PRO 27 Ca 0.01 2.42 -0.00 0.00 0.04 0.00 0.00 61.00 63.47 3kp1 s PRO 27 Cb -0.04 -3.04 0.47 0.00 0.04 0.00 0.00 34.50 31.93 3kp1 s PRO 27 CO -0.00 -0.45 1.89 -0.22 0.04 0.00 0.00 177.00 178.26 3kp1 h LYS 28 N 4.05 0.84 -4.24 4.56 3.64 -1.95 -3.46 116.57 120.01 3kp1 h LYS 28 Ca -0.48 -0.13 -0.26 0.00 -1.27 0.00 0.00 60.65 58.51 3kp1 h LYS 28 Cb 1.23 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.79 3kp1 h LYS 28 CO 0.71 0.69 -0.30 -0.98 -2.27 0.00 0.00 179.45 177.30 3kp1 s ARG 29 N -5.39 1.70 0.09 1.90 1.70 -1.26 -5.18 118.95 112.51 3kp1 s ARG 29 Ca -0.10 -1.69 0.04 0.00 -0.47 0.00 0.00 55.73 53.52 3kp1 s ARG 29 Cb 0.16 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 3kp1 s ARG 29 CO 0.79 -0.67 -0.11 1.03 -1.08 0.00 0.00 175.30 175.25 3kp1 s ARG 30 N -3.48 0.84 0.00 3.89 1.81 -1.26 -4.73 118.95 116.02 3kp1 s ARG 30 Ca 0.32 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 3kp1 s ARG 30 Cb 0.01 -0.64 0.00 0.00 -0.45 0.00 0.00 34.95 33.88 3kp1 s ARG 30 CO 0.18 0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.32 3kp1 n GLY 31 N 0.78 -0.82 3.77 -3.53 0.00 -1.24 -4.96 105.19 99.20 3kp1 n GLY 31 Ca -0.18 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.02 3.87 -0.04 1.61 -0.11 -0.90 -4.71 118.94 116.64 3kp1 s TRP 32 Ca 0.00 1.75 0.05 0.00 1.22 0.00 0.00 56.10 59.12 3kp1 s TRP 32 Cb 0.00 -2.87 -0.02 0.00 -1.50 0.00 0.00 33.47 29.08 3kp1 s TRP 32 CO 0.00 0.41 -0.19 0.95 -4.62 0.00 0.00 176.95 173.50 3kp1 s THR 33 N -1.30 2.64 0.27 5.86 -4.23 -1.26 -5.02 115.64 112.61 3kp1 s THR 33 Ca 0.42 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 60.09 3kp1 s THR 33 Cb -0.23 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 3kp1 s THR 33 CO 0.27 0.58 0.41 0.26 -0.54 0.00 0.00 174.62 175.61 3kp1 s TRP 34 N -0.63 3.39 0.82 3.99 0.52 -1.26 -4.90 118.94 120.87 3kp1 s TRP 34 Ca 0.10 -0.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.10 3kp1 s TRP 34 Cb -0.11 -1.70 0.09 0.00 -1.15 0.00 0.00 33.47 30.60 3kp1 s TRP 34 CO 0.00 0.30 1.10 1.03 0.02 0.00 0.00 176.95 179.40 3kp1 s ARG 35 N -4.07 1.84 -0.29 4.98 0.52 -1.26 -5.01 118.95 115.66 3kp1 s ARG 35 Ca 0.37 1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 56.63 3kp1 s ARG 35 Cb -0.09 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 3kp1 s ARG 35 CO 0.30 -1.94 0.26 -0.65 0.02 0.00 0.00 175.30 173.30 3kp1 s GLN 36 N -4.86 3.90 0.48 3.54 -1.52 -1.26 -5.03 119.66 114.91 3kp1 s GLN 36 Ca 0.63 -0.25 -0.23 0.00 -1.95 0.00 0.00 55.36 53.55 3kp1 s GLN 36 Cb -0.18 -3.68 -0.07 0.00 -0.22 0.00 0.00 33.01 28.86 3kp1 s GLN 36 CO 0.57 -0.26 1.28 -1.25 -0.25 0.00 0.00 175.29 175.37 3kp1 s PRO 37 N 1.87 3.56 -0.45 2.91 0.04 -1.26 -1.16 135.00 140.52 3kp1 s PRO 37 Ca 0.10 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.21 3kp1 s PRO 37 Cb -0.16 -2.43 0.13 0.00 0.04 0.00 0.00 34.50 32.08 3kp1 s PRO 37 CO 0.11 -0.79 0.24 0.00 0.04 0.00 0.00 177.00 176.59 3kp1 s ALA 38 N -1.38 2.31 0.17 8.56 0.00 -0.69 -4.64 121.76 126.09 3kp1 s ALA 38 Ca 0.65 -2.68 -0.31 0.00 0.00 0.00 0.00 51.96 49.63 3kp1 s ALA 38 Cb -0.36 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 3kp1 s ALA 38 CO 0.43 -2.05 1.41 -1.21 0.00 0.00 0.00 175.76 174.34 3kp1 s GLU 39 N 0.29 4.31 -1.42 0.00 8.01 -1.26 -3.23 118.70 125.39 3kp1 s GLU 39 Ca 0.17 2.16 -0.02 0.00 0.01 0.00 0.00 54.97 57.29 3kp1 s GLU 39 Cb -0.25 -3.19 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 3kp1 s GLU 39 CO 0.00 -0.41 0.34 0.09 0.01 0.00 0.00 175.26 175.29 3kp1 n ASN 40 N 3.26 -0.35 -4.68 -0.19 3.02 -1.20 -4.88 115.26 110.23 3kp1 n ASN 40 Ca 0.09 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 3kp1 n ASN 40 Cb 0.41 -2.66 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 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 -7.06 4.29 -0.19 3.41 2.96 -0.97 -4.70 118.68 116.41 3kp1 s LEU 41 Ca 0.04 1.97 -0.21 0.00 -0.22 0.00 0.00 54.13 55.72 3kp1 s LEU 41 Cb -0.02 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3kp1 s LEU 41 CO 0.92 -0.68 0.62 -1.58 -1.32 0.00 0.00 176.35 174.31 3kp1 s GLN 42 N 2.46 4.22 -0.07 1.98 2.00 -1.26 -0.41 119.66 128.58 3kp1 s GLN 42 Ca 0.60 0.61 0.00 0.00 -2.00 0.00 0.00 55.36 54.57 3kp1 s GLN 42 Cb -0.28 -3.57 0.02 0.00 0.80 0.00 0.00 33.01 29.98 3kp1 s GLN 42 CO 0.24 -0.22 -0.05 -1.64 -0.50 0.00 0.00 175.29 173.12 3kp1 s MET 43 N 1.84 1.05 5.23 1.67 -1.94 -0.02 -5.00 119.30 122.12 3kp1 s MET 43 Ca 0.29 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 3kp1 s MET 43 Cb -0.16 -1.14 0.00 0.00 2.01 0.00 0.00 34.83 35.54 3kp1 s MET 43 CO 0.11 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 3kp1 n GLY 44 N 4.57 3.25 0.00 -0.03 0.00 -1.26 -1.55 105.19 110.17 3kp1 n GLY 44 Ca -0.16 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.11 -4.33 1.61 -0.02 -1.26 -4.94 135.00 140.17 3kp1 n PRO 45 Ca 0.00 0.05 -0.24 0.00 -2.02 0.00 0.00 63.50 61.29 3kp1 n PRO 45 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.87 2.58 -0.09 6.00 0.08 -0.60 -5.13 117.98 117.97 3kp1 s PHE 46 Ca 0.16 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.99 3kp1 s PHE 46 Cb 0.17 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 3kp1 s PHE 46 CO 0.45 0.61 -0.16 0.42 -0.10 0.00 0.00 175.22 176.44 3kp1 s ILE 47 N -2.17 2.85 -0.07 0.64 1.01 -1.26 -0.84 121.20 121.36 3kp1 s ILE 47 Ca 0.29 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3kp1 s ILE 47 Cb -0.07 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 3kp1 s ILE 47 CO 0.17 0.56 -0.08 -0.31 0.00 0.00 0.00 174.94 175.28 3kp1 s TYR 48 N -0.14 2.89 -0.10 3.97 2.02 0.45 -4.93 117.35 121.51 3kp1 s TYR 48 Ca -0.02 -0.05 0.16 0.00 -0.37 0.00 0.00 57.07 56.79 3kp1 s TYR 48 Cb -0.14 -1.71 -0.22 0.00 -0.40 0.00 0.00 41.96 39.49 3kp1 s TYR 48 CO 0.04 0.27 0.54 1.63 -1.57 0.00 0.00 175.55 176.45 3kp1 n LYS 49 N 2.35 0.65 -1.36 -0.62 4.76 -1.26 -2.30 118.16 120.37 3kp1 n LYS 49 Ca -0.18 0.17 -0.04 0.00 -2.87 0.00 0.00 58.31 55.39 3kp1 n LYS 49 Cb 0.53 -1.71 0.11 0.00 -1.84 0.00 0.00 35.03 32.12 3kp1 n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kp1 n ASP 50 N -2.89 2.62 -4.95 4.39 8.00 -1.26 -4.69 116.55 117.76 3kp1 n ASP 50 Ca -0.19 -3.45 -0.21 0.00 0.71 0.00 0.00 54.79 51.66 3kp1 n ASP 50 Cb 1.00 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.98 3.94 0.51 2.24 0.00 -1.26 -2.95 121.76 121.26 3kp1 s ALA 51 Ca 0.41 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3kp1 s ALA 51 Cb 0.38 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3kp1 s ALA 51 CO -0.05 0.18 0.29 -1.54 0.00 0.00 0.00 175.76 174.64 3kp1 s SER 52 N -4.00 4.52 0.21 0.00 1.04 -0.02 -1.70 113.70 113.76 3kp1 s SER 52 Ca 0.36 -1.27 -0.32 0.00 0.48 0.00 0.00 55.95 55.20 3kp1 s SER 52 Cb -0.09 0.24 -0.13 0.00 0.10 0.00 0.00 66.02 66.14 3kp1 s SER 52 CO 0.29 -0.94 1.63 0.41 0.98 0.00 0.00 173.24 175.61 3kp1 n THR 53 N -1.57 0.27 -1.35 2.02 -1.04 -0.31 -4.40 114.28 107.90 3kp1 n THR 53 Ca -0.05 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.56 3kp1 n THR 53 Cb 0.65 -1.81 0.10 0.00 -1.82 0.00 0.00 70.33 67.44 3kp1 n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kp1 s PRO 54 N 0.66 2.03 0.52 -2.82 0.02 -1.26 -4.81 135.00 129.34 3kp1 s PRO 54 Ca 0.73 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 3kp1 s PRO 54 Cb -0.56 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 3kp1 s PRO 54 CO 0.38 -1.90 1.02 -0.51 -0.33 0.00 0.00 177.00 175.66 3kp1 s LEU 55 N -5.36 3.68 0.12 -5.54 1.43 -1.26 -4.98 118.68 106.76 3kp1 s LEU 55 Ca 0.72 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.49 3kp1 s LEU 55 Cb -0.27 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.31 3kp1 s LEU 55 CO 0.47 -0.81 1.34 -0.33 0.23 0.00 0.00 176.35 177.25 3kp1 h GLU 56 N 1.03 0.70 -4.37 1.70 5.08 -1.14 -3.44 114.58 114.15 3kp1 h GLU 56 Ca -0.48 -0.57 -0.43 0.00 -1.00 0.00 0.00 59.36 56.89 3kp1 h GLU 56 Cb 1.21 0.12 -0.32 0.00 0.50 0.00 0.00 28.75 30.25 3kp1 h GLU 56 CO 0.59 1.18 -0.78 -0.80 -1.00 0.00 0.00 179.01 178.20 3kp1 s ASN 57 N -7.08 1.15 0.21 1.42 0.01 -1.13 -5.02 114.94 104.51 3kp1 s ASN 57 Ca -0.09 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 51.66 3kp1 s ASN 57 Cb 0.09 -0.43 0.06 0.00 0.41 0.00 0.00 41.25 41.39 3kp1 s ASN 57 CO 0.89 0.02 0.93 -0.94 -1.51 0.00 0.00 177.10 176.48 3kp1 s SER 58 N 0.49 -0.11 -0.25 -1.22 1.04 -1.26 -4.59 113.70 107.81 3kp1 s SER 58 Ca -0.08 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 3kp1 s SER 58 Cb -0.11 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3kp1 s SER 58 CO 0.01 -1.10 -0.04 -0.69 0.98 0.00 0.00 173.24 172.40 3kp1 s VAL 59 N -2.91 3.15 0.85 5.02 1.01 -0.62 -5.03 120.40 121.86 3kp1 s VAL 59 Ca 0.15 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3kp1 s VAL 59 Cb -0.03 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.89 3kp1 s VAL 59 CO 0.05 0.23 1.12 0.00 0.00 0.00 0.00 175.10 176.50 3kp1 s ALA 60 N 1.39 2.08 0.70 5.51 0.00 -1.26 -4.67 121.76 125.50 3kp1 s ALA 60 Ca 0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 3kp1 s ALA 60 Cb -0.16 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3kp1 s ALA 60 CO -0.03 -1.96 1.27 -0.51 0.00 0.00 0.00 175.76 174.53 3kp1 s LEU 61 N -5.87 3.43 0.29 0.00 1.43 -1.26 -4.91 118.68 111.80 3kp1 s LEU 61 Ca 0.62 2.56 0.02 0.00 -1.03 0.00 0.00 54.13 56.30 3kp1 s LEU 61 Cb -0.14 -4.61 0.59 0.00 0.03 0.00 0.00 46.19 42.06 3kp1 s LEU 61 CO 0.53 -2.24 1.83 -0.65 0.23 0.00 0.00 176.35 176.05 3kp1 h PRO 62 N 0.07 0.92 -0.02 1.29 0.11 -2.00 -0.98 132.00 131.40 3kp1 h PRO 62 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3kp1 h PRO 62 Cb 1.33 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kp1 h PRO 62 CO 0.51 0.61 0.00 0.43 -0.21 0.00 0.00 178.00 179.34 3kp1 n SER 63 N -4.64 0.39 0.16 -2.05 7.64 -1.26 -3.11 113.62 110.75 3kp1 n SER 63 Ca 0.20 -1.24 0.13 0.00 1.01 0.00 0.00 58.87 58.97 3kp1 n SER 63 Cb 0.39 -0.01 0.56 0.00 -1.01 0.00 0.00 64.21 64.15 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 3.97 1.00 0.00 -0.43 0.00 -1.49 -2.87 119.26 119.43 3kp1 h ALA 64 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 64 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kp1 h ALA 64 CO 0.00 0.00 -0.06 1.57 0.00 0.00 0.00 179.25 180.76 3kp1 h LYS 65 N 0.00 0.00 0.00 0.00 2.10 -1.72 0.42 116.57 117.37 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 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 3kp1 h LYS 65 CO 0.00 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 178.17 3kp1 n TYR 66 N -3.95 0.10 -2.19 0.07 4.01 -1.08 -3.70 117.16 110.43 3kp1 n TYR 66 Ca -0.03 0.03 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3kp1 n TYR 66 Cb 0.15 -0.55 0.08 0.00 -0.31 0.00 0.00 39.34 38.71 3kp1 n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kp1 n PHE 67 N -1.59 0.95 -1.75 -0.72 3.72 -0.34 -4.97 117.46 112.77 3kp1 n PHE 67 Ca 0.06 -1.57 -0.10 0.00 -0.05 0.00 0.00 57.45 55.79 3kp1 n PHE 67 Cb 0.30 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.51 0.55 2.70 1.37 0.00 -1.14 -3.58 105.19 104.58 3kp1 n GLY 68 Ca 0.20 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.23 -4.97 -4.75 1.61 8.00 0.13 -4.97 116.55 111.83 3kp1 n ASP 69 Ca -0.11 -0.06 -0.38 0.00 0.71 0.00 0.00 54.79 54.95 3kp1 n ASP 69 Cb 0.46 -4.13 0.04 0.00 -0.02 0.00 0.00 41.12 37.47 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 -2.92 2.27 -0.47 0.53 -4.36 -1.24 -4.81 121.20 110.21 3kp1 s ILE 70 Ca 0.13 0.20 0.08 0.00 -0.26 0.00 0.00 60.65 60.79 3kp1 s ILE 70 Cb -0.06 -3.10 0.27 0.00 1.25 0.00 0.00 42.46 40.82 3kp1 s ILE 70 CO 0.16 -0.01 0.64 -0.67 0.24 0.00 0.00 174.94 175.29 3kp1 n ASP 71 N -1.11 1.56 -4.70 4.36 2.03 -1.26 -4.65 116.55 112.77 3kp1 n ASP 71 Ca 0.11 -3.01 -0.43 0.00 0.52 0.00 0.00 54.79 51.98 3kp1 n ASP 71 Cb 0.46 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.02 2.28 -4.39 -0.67 -0.02 -1.26 -4.68 135.00 127.28 3kp1 n PRO 72 Ca 0.25 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 3kp1 n PRO 72 Cb 0.50 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.79 3.57 0.98 -0.52 -1.52 -1.26 -4.98 119.66 115.14 3kp1 s GLN 73 Ca 0.64 -0.50 -0.14 0.00 -1.95 0.00 0.00 55.36 53.41 3kp1 s GLN 73 Cb -0.58 -2.90 0.18 0.00 -0.22 0.00 0.00 33.01 29.49 3kp1 s GLN 73 CO 0.52 0.31 1.14 -1.25 -0.25 0.00 0.00 175.29 175.77 3kp1 s PRO 74 N 0.17 0.59 0.05 2.91 0.04 -1.26 -0.84 135.00 136.67 3kp1 s PRO 74 Ca -0.01 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 3kp1 s PRO 74 Cb -0.14 -1.78 -0.31 0.00 0.04 0.00 0.00 34.50 32.31 3kp1 s PRO 74 CO 0.03 -2.55 1.08 1.37 0.04 0.00 0.00 177.00 176.96 3kp1 h LEU 75 N -1.75 0.85-10.00 -3.56 -0.00 -1.82 -3.35 115.31 95.67 3kp1 h LEU 75 Ca -0.50 -0.83 -0.52 0.00 -0.00 0.00 0.00 57.88 56.03 3kp1 h LEU 75 Cb 1.32 -0.27 0.09 0.00 -0.00 0.00 0.00 40.66 41.80 3kp1 h LEU 75 CO 0.55 1.63 0.56 -2.84 -0.00 0.00 0.00 178.44 178.34 3kp1 s PRO 76 N -2.86 3.64 0.22 0.17 0.02 -1.26 -4.52 135.00 130.41 3kp1 s PRO 76 Ca -0.09 2.02 -0.31 0.00 0.02 0.00 0.00 61.00 62.65 3kp1 s PRO 76 Cb 0.05 -2.47 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 3kp1 s PRO 76 CO 0.94 -0.72 1.50 0.08 -0.33 0.00 0.00 177.00 178.47 3kp1 s VAL 77 N -1.39 2.59 -0.22 3.83 1.01 -1.07 -4.79 120.40 120.36 3kp1 s VAL 77 Ca 0.64 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3kp1 s VAL 77 Cb -0.35 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3kp1 s VAL 77 CO 0.43 0.06 0.00 -0.63 0.00 0.00 0.00 175.10 174.96 3kp1 s ILE 78 N 0.42 3.84 0.12 2.22 -1.09 -1.26 -0.25 121.20 125.19 3kp1 s ILE 78 Ca 0.64 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.64 3kp1 s ILE 78 Cb -0.43 -2.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.63 3kp1 s ILE 78 CO 0.39 0.40 0.40 -0.89 -1.23 0.00 0.00 174.94 174.02 3kp1 s THR 79 N 1.35 5.11 0.01 2.92 2.01 -0.87 -2.10 115.64 124.07 3kp1 s THR 79 Ca 0.04 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.35 3kp1 s THR 79 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 3kp1 s THR 79 CO 0.01 0.15 -0.05 0.28 -0.69 0.00 0.00 174.62 174.32 3kp1 s THR 80 N -1.54 0.38 -0.28 -0.82 -1.32 -0.20 -2.90 115.64 108.95 3kp1 s THR 80 Ca 0.38 -0.56 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 3kp1 s THR 80 Cb -0.13 -0.39 -0.05 0.00 -1.51 0.00 0.00 72.50 70.43 3kp1 s THR 80 CO 0.21 -0.13 0.19 -1.61 -2.21 0.00 0.00 174.62 171.06 3kp1 s GLU 81 N -0.75 3.90 -0.22 7.08 2.02 -1.26 -1.04 118.70 128.42 3kp1 s GLU 81 Ca -0.04 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 3kp1 s GLU 81 Cb -0.05 -3.65 0.07 0.00 0.10 0.00 0.00 34.13 30.60 3kp1 s GLU 81 CO -0.00 -0.20 0.06 0.42 0.02 0.00 0.00 175.26 175.56 3kp1 s ILE 82 N 1.75 0.46 -0.39 -1.63 1.01 -0.57 -4.95 121.20 116.88 3kp1 s ILE 82 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3kp1 s ILE 82 Cb -0.16 -1.08 0.18 0.00 0.01 0.00 0.00 42.46 41.41 3kp1 s ILE 82 CO 0.10 -0.34 0.72 0.00 0.00 0.00 0.00 174.94 175.43 3kp1 s ALA 83 N 1.87 -2.81 -0.92 9.38 0.00 -1.26 -4.47 121.76 123.54 3kp1 s ALA 83 Ca 0.02 0.42 0.24 0.00 0.00 0.00 0.00 51.96 52.64 3kp1 s ALA 83 Cb -0.17 -2.80 0.30 0.00 0.00 0.00 0.00 23.12 20.45 3kp1 s ALA 83 CO -0.13 -2.28 1.26 -1.13 0.00 0.00 0.00 175.76 173.48 3kp1 n SER 84 N 4.22 0.62 0.00 0.00 3.41 -1.26 -4.04 113.62 116.57 3kp1 n SER 84 Ca 0.10 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3kp1 n SER 84 Cb 0.58 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 2.71 2.86 5.00 0.00 -1.19 -4.65 105.19 111.40 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 -0.73 1.62 0.62 1.61 0.52 -1.26 -1.19 118.95 120.13 3kp1 s ARG 86 Ca 0.00 -2.25 0.34 0.00 -0.52 0.00 0.00 55.73 53.30 3kp1 s ARG 86 Cb 0.00 -2.90 1.95 0.00 0.52 0.00 0.00 34.95 34.52 3kp1 s ARG 86 CO 0.00 -1.10 2.23 0.27 0.02 0.00 0.00 175.30 176.72 3kp1 h PHE 87 N 6.78 0.00 0.00 -0.53 -5.15 -1.95 -1.59 116.94 114.50 3kp1 h PHE 87 Ca -0.06 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.57 3kp1 h PHE 87 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.07 3kp1 h PHE 87 CO 0.49 0.00 -0.67 1.05 -2.00 0.00 0.00 178.31 177.18 3kp1 h GLU 88 N 0.00 0.00 -0.02 6.09 9.09 -1.99 -2.32 114.58 125.43 3kp1 h GLU 88 Ca 0.02 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.17 3kp1 h GLU 88 Cb 0.17 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.29 3kp1 h GLU 88 CO -0.00 0.67 -1.01 -0.44 0.05 0.00 0.00 179.01 178.27 3kp1 h ASP 89 N 0.00 0.92 -0.66 3.06 3.32 -1.63 -3.36 116.42 118.07 3kp1 h ASP 89 Ca -0.01 -0.73 0.03 0.00 0.02 0.00 0.00 57.03 56.35 3kp1 h ASP 89 Cb 1.25 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3kp1 h ASP 89 CO 0.09 1.52 0.44 0.44 -1.72 0.00 0.00 179.24 180.01 3kp1 h ASP 90 N 0.41 0.68 -0.95 6.45 3.32 -1.20 -1.36 116.42 123.77 3kp1 h ASP 90 Ca -0.12 -0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.11 3kp1 h ASP 90 Cb 1.67 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 3kp1 h ASP 90 CO 0.20 0.47 0.60 0.40 -1.72 0.00 0.00 179.24 179.19 3kp1 h ILE 91 N 0.79 0.72 -0.29 0.35 2.04 -1.56 0.69 117.51 120.25 3kp1 h ILE 91 Ca 0.27 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 3kp1 h ILE 91 Cb 0.08 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3kp1 h ILE 91 CO -0.07 0.11 -0.27 0.03 0.00 0.00 0.00 178.15 177.94 3kp1 h ARG 92 N 0.61 0.59 -0.22 2.37 3.08 -1.45 -2.96 114.38 116.41 3kp1 h ARG 92 Ca 0.51 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 3kp1 h ARG 92 Cb 0.97 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3kp1 h ARG 92 CO -0.26 0.81 -0.45 -0.09 -1.07 0.00 0.00 179.97 178.91 3kp1 h ARG 93 N 0.51 0.54 -0.61 0.04 2.43 -0.94 -2.73 114.38 113.63 3kp1 h ARG 93 Ca 0.07 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3kp1 h ARG 93 Cb 0.74 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3kp1 h ARG 93 CO 0.06 0.88 0.40 0.52 -1.51 0.00 0.00 179.97 180.33 3kp1 h MET 94 N 0.44 0.71 -0.22 0.20 2.86 -0.96 -0.17 114.93 117.79 3kp1 h MET 94 Ca 0.03 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 3kp1 h MET 94 Cb 0.96 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3kp1 h MET 94 CO 0.08 0.47 -0.65 -0.09 1.06 0.00 0.00 176.91 177.78 3kp1 h ARG 95 N 0.73 0.80 -0.07 1.72 2.43 -1.35 -0.27 114.38 118.36 3kp1 h ARG 95 Ca 0.24 -0.57 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3kp1 h ARG 95 Cb 0.07 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kp1 h ARG 95 CO -0.06 1.19 -0.01 0.52 -1.51 0.00 0.00 179.97 180.10 3kp1 h MET 96 N 0.58 0.01 -0.49 0.20 2.86 -1.12 -2.45 114.93 114.53 3kp1 h MET 96 Ca -0.02 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3kp1 h MET 96 Cb 1.26 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 3kp1 h MET 96 CO 0.14 0.01 -0.02 0.00 1.06 0.00 0.00 176.91 178.09 3kp1 h ALA 97 N 1.06 1.04 -0.60 6.32 0.00 -0.99 -2.37 119.26 123.72 3kp1 h ALA 97 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kp1 h ALA 97 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kp1 h ALA 97 CO -0.06 0.60 0.39 0.00 0.00 0.00 0.00 179.25 180.18 3kp1 h ALA 98 N 1.20 0.76 0.00 0.00 0.00 -0.91 -1.48 119.26 118.82 3kp1 h ALA 98 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kp1 h ALA 98 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kp1 h ALA 98 CO 0.02 0.19 -0.20 -1.49 0.00 0.00 0.00 179.25 177.77 3kp1 h TRP 99 N 0.80 0.00 -0.32 0.00 4.06 -1.05 -1.48 115.95 117.96 3kp1 h TRP 99 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3kp1 h TRP 99 Cb -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3kp1 h TRP 99 CO -0.03 0.20 0.00 0.72 -3.56 0.00 0.00 178.44 175.76 3kp1 n HIS 100 N -3.90 0.43 0.00 0.49 8.25 -0.65 -1.59 115.22 118.25 3kp1 n HIS 100 Ca -0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3kp1 n HIS 100 Cb 0.29 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.01 0.64 3.69 -1.41 0.00 -0.56 -4.48 105.19 104.09 3kp1 n GLY 101 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kp1 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 s ALA 102 N -2.00 3.52 -0.15 4.61 0.00 -0.67 -4.73 121.76 122.34 3kp1 s ALA 102 Ca 0.00 0.77 0.17 0.00 0.00 0.00 0.00 51.96 52.90 3kp1 s ALA 102 Cb 0.00 -3.54 0.32 0.00 0.00 0.00 0.00 23.12 19.90 3kp1 s ALA 102 CO 0.00 -0.78 1.16 -0.40 0.00 0.00 0.00 175.76 175.75 3kp1 n ASP 103 N 5.07 2.16 -3.46 0.00 5.75 -0.89 -4.28 116.55 120.89 3kp1 n ASP 103 Ca 0.12 -3.26 -0.12 0.00 -0.01 0.00 0.00 54.79 51.52 3kp1 n ASP 103 Cb 0.45 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3kp1 n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kp1 s HIS 104 N -2.91 -0.62 -0.23 2.11 5.04 -1.05 -0.85 115.29 116.78 3kp1 s HIS 104 Ca 0.33 0.75 -0.02 0.00 -1.54 0.00 0.00 55.06 54.59 3kp1 s HIS 104 Cb 0.30 -0.06 0.02 0.00 0.04 0.00 0.00 32.58 32.87 3kp1 s HIS 104 CO 0.01 -0.62 -0.08 0.42 -2.34 0.00 0.00 174.74 172.13 3kp1 s ILE 105 N 2.48 2.82 -0.21 0.89 -1.09 -0.34 -1.04 121.20 124.72 3kp1 s ILE 105 Ca 0.08 -0.91 -0.05 0.00 -2.23 0.00 0.00 60.65 57.54 3kp1 s ILE 105 Cb -0.15 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 3kp1 s ILE 105 CO -0.14 0.30 0.00 -0.32 -1.23 0.00 0.00 174.94 173.55 3kp1 s MET 106 N 1.35 3.59 -0.45 2.79 1.75 -0.21 -1.29 119.30 126.82 3kp1 s MET 106 Ca 0.02 -0.53 -0.08 0.00 -1.25 0.00 0.00 55.69 53.85 3kp1 s MET 106 Cb -0.16 -3.10 0.11 0.00 2.84 0.00 0.00 34.83 34.53 3kp1 s MET 106 CO -0.06 -0.04 0.30 0.08 -0.65 0.00 0.00 175.02 174.65 3kp1 s VAL 107 N 1.14 4.03 0.37 10.11 1.01 0.41 -1.51 120.40 135.97 3kp1 s VAL 107 Ca 0.03 -1.77 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 3kp1 s VAL 107 Cb -0.14 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 3kp1 s VAL 107 CO 0.01 -0.71 1.30 -0.63 0.00 0.00 0.00 175.10 175.08 3kp1 s ILE 108 N 1.33 2.67 0.49 2.22 1.01 -1.26 -4.44 121.20 123.22 3kp1 s ILE 108 Ca 0.06 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.25 3kp1 s ILE 108 Cb -0.25 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 3kp1 s ILE 108 CO -0.01 0.12 0.85 -0.13 0.00 0.00 0.00 174.94 175.76 3kp1 s ARG 109 N -2.06 3.63 0.54 2.79 0.52 -1.26 -1.14 118.95 121.96 3kp1 s ARG 109 Ca 0.54 0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 55.97 3kp1 s ARG 109 Cb -0.39 -2.30 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 3kp1 s ARG 109 CO 0.50 -0.25 1.00 -2.37 0.02 0.00 0.00 175.30 174.21 3kp1 n THR 110 N -2.09 3.21 -1.68 0.02 5.66 -0.57 -4.05 114.28 114.78 3kp1 n THR 110 Ca 0.03 -0.50 -0.48 0.00 -3.05 0.00 0.00 64.05 60.05 3kp1 n THR 110 Cb 0.55 -1.19 -0.05 0.00 -1.55 0.00 0.00 70.33 68.09 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 -1.24 0.95 -0.90 1.79 0.00 -0.28 -2.17 120.51 118.66 3kp1 n ALA 111 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3kp1 n ALA 111 Cb 0.44 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 4.10 0.46 0.29 0.00 0.00 -1.26 -4.93 105.19 103.85 3kp1 n GLY 112 Ca 0.21 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 0.22 0.00 -0.84 1.61 4.15 -1.77 -1.06 115.11 117.42 3kp1 h GLN 113 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.66 3kp1 h GLN 113 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3kp1 h GLN 113 CO 0.00 0.02 0.69 0.77 -1.93 0.00 0.00 178.83 178.38 3kp1 h SER 114 N 0.00 0.00 0.29 -0.69 0.02 -1.87 -1.04 113.55 110.26 3kp1 h SER 114 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kp1 h SER 114 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kp1 h SER 114 CO 0.00 0.00 -0.31 1.41 -1.14 0.00 0.00 176.83 176.79 3kp1 n HIS 115 N -3.99 0.00 -2.10 3.45 8.25 -0.40 -0.85 115.22 119.58 3kp1 n HIS 115 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 3kp1 n HIS 115 Cb 0.98 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 3kp1 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kp1 s TYR 116 N -2.61 2.07 -1.21 4.41 2.02 -0.39 -4.89 117.35 116.75 3kp1 s TYR 116 Ca 0.21 0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 3kp1 s TYR 116 Cb 0.19 -3.98 -0.02 0.00 -0.40 0.00 0.00 41.96 37.74 3kp1 s TYR 116 CO 0.56 -3.01 2.82 -3.47 -1.57 0.00 0.00 175.55 170.88 3kp1 n ASP 117 N 8.48 7.87 0.00 2.29 2.03 -1.26 -4.12 116.55 131.83 3kp1 n ASP 117 Ca 0.19 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.67 3kp1 n ASP 117 Cb 0.45 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 3kp1 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 118 N 2.52 2.48 3.77 0.27 0.00 -1.26 -4.98 105.19 107.98 3kp1 n GLY 118 Ca 0.66 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 3.89 0.40 0.99 1.43 -1.26 -4.97 118.68 119.16 3kp1 s LEU 119 Ca 0.00 2.33 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 3kp1 s LEU 119 Cb 0.00 -4.37 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 3kp1 s LEU 119 CO 0.00 -1.13 0.41 0.27 0.23 0.00 0.00 176.35 176.13 3kp1 s ILE 120 N -1.58 2.92 0.18 -0.59 -4.36 -1.26 -5.14 121.20 111.36 3kp1 s ILE 120 Ca 0.68 -1.26 0.07 0.00 -0.26 0.00 0.00 60.65 59.88 3kp1 s ILE 120 Cb -0.29 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 3kp1 s ILE 120 CO 0.34 -0.03 -0.13 -1.61 0.24 0.00 0.00 174.94 173.74 3kp1 s GLU 121 N -4.16 1.23 1.83 0.37 0.41 -1.26 -4.40 118.70 112.72 3kp1 s GLU 121 Ca 0.48 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 3kp1 s GLU 121 Cb -0.05 -0.98 0.00 0.00 -1.78 0.00 0.00 34.13 31.32 3kp1 s GLU 121 CO 0.29 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 3kp1 n GLY 122 N -0.21 -1.10 2.54 -1.39 0.00 -1.24 -4.64 105.19 99.16 3kp1 n GLY 122 Ca -0.10 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 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 1.28 -1.23 2.61 -2.24 -1.26 -4.36 114.28 109.07 3kp1 n THR 123 Ca 0.00 -4.16 -0.33 0.00 -2.27 0.00 0.00 64.05 57.30 3kp1 n THR 123 Cb 0.00 -0.24 0.11 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.09 1.91 0.22 -0.78 0.04 -1.24 -3.44 135.00 128.62 3kp1 s PRO 124 Ca 0.38 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3kp1 s PRO 124 Cb 0.40 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 33.02 3kp1 s PRO 124 CO -0.06 -1.97 1.34 -1.14 0.04 0.00 0.00 177.00 175.21 3kp1 s GLN 125 N -4.30 4.36 0.45 4.56 2.00 -1.26 -4.65 119.66 120.82 3kp1 s GLN 125 Ca 0.69 2.12 0.04 0.00 -2.00 0.00 0.00 55.36 56.22 3kp1 s GLN 125 Cb -0.24 -3.17 0.01 0.00 0.80 0.00 0.00 33.01 30.41 3kp1 s GLN 125 CO 0.50 -0.29 0.63 0.20 -0.50 0.00 0.00 175.29 175.84 3kp1 s GLY 126 N 0.29 1.78 -0.13 2.59 0.00 -0.33 -4.90 107.32 106.62 3kp1 s GLY 126 Ca 0.57 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3kp1 s GLY 126 CO 0.40 -1.22 -0.12 -1.50 0.00 0.00 0.00 173.10 170.66 3kp1 s ILE 127 N -2.48 1.33 -0.94 0.90 1.10 -1.26 -4.64 121.20 115.21 3kp1 s ILE 127 Ca 0.53 -0.49 0.00 0.00 -0.51 0.00 0.00 60.65 60.17 3kp1 s ILE 127 Cb -0.10 -1.28 0.00 0.00 0.15 0.00 0.00 42.46 41.23 3kp1 s ILE 127 CO 0.35 0.42 0.00 0.61 -2.11 0.00 0.00 174.94 174.21 3kp1 n GLY 128 N 4.72 0.97 0.00 1.50 0.00 -1.26 -1.12 105.19 110.00 3kp1 n GLY 128 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 -0.80 3.63 -0.02 0.00 -1.26 -4.61 105.19 101.40 3kp1 n GLY 129 Ca -0.09 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3kp1 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 130 N -2.00 4.74 -0.07 1.61 1.01 -0.29 -3.16 120.40 122.24 3kp1 s VAL 130 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3kp1 s VAL 130 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3kp1 s VAL 130 CO 0.00 0.47 1.69 -2.84 0.00 0.00 0.00 175.10 174.42 3kp1 s PRO 131 N 0.34 4.11 -0.18 2.72 0.02 -1.26 -1.51 135.00 139.23 3kp1 s PRO 131 Ca 0.03 2.16 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 3kp1 s PRO 131 Cb -0.12 -4.02 -0.01 0.00 0.02 0.00 0.00 34.50 30.37 3kp1 s PRO 131 CO 0.00 -0.94 0.82 0.42 -0.33 0.00 0.00 177.00 176.97 3kp1 s ILE 132 N 4.31 4.88 0.12 2.83 -1.09 -1.26 -4.91 121.20 126.08 3kp1 s ILE 132 Ca 0.75 1.60 -0.07 0.00 -2.23 0.00 0.00 60.65 60.70 3kp1 s ILE 132 Cb -0.33 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 3kp1 s ILE 132 CO 0.31 0.02 0.19 0.42 -1.23 0.00 0.00 174.94 174.64 3kp1 s THR 133 N 2.22 0.12 0.23 2.92 -4.23 -1.26 -4.49 115.64 111.14 3kp1 s THR 133 Ca 0.37 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3kp1 s THR 133 Cb -0.16 -1.64 0.18 0.00 1.34 0.00 0.00 72.50 72.22 3kp1 s THR 133 CO 0.12 -0.53 1.83 -0.09 -0.54 0.00 0.00 174.62 175.41 3kp1 h ARG 134 N 2.72 0.80 -0.22 3.99 2.43 -1.89 -0.20 114.38 122.02 3kp1 h ARG 134 Ca -0.33 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 3kp1 h ARG 134 Cb 1.20 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3kp1 h ARG 134 CO 0.54 0.53 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.30 3kp1 h LYS 135 N 0.83 0.40 -0.58 0.20 3.64 -1.84 -0.09 116.57 119.13 3kp1 h LYS 135 Ca 0.35 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3kp1 h LYS 135 Cb 0.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3kp1 h LYS 135 CO -0.19 0.61 0.13 0.37 -2.27 0.00 0.00 179.45 178.10 3kp1 h GLN 136 N 0.15 0.94 -0.43 1.90 -0.00 -1.68 -1.41 115.11 114.58 3kp1 h GLN 136 Ca 0.06 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.45 3kp1 h GLN 136 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 3kp1 h GLN 136 CO 0.01 0.88 0.18 0.28 0.00 0.00 0.00 178.83 180.18 3kp1 h VAL 137 N 0.84 1.19 -0.53 2.39 2.07 -0.97 -2.00 116.25 119.24 3kp1 h VAL 137 Ca 0.18 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3kp1 h VAL 137 Cb 0.37 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3kp1 h VAL 137 CO 0.01 0.22 0.24 0.03 0.02 0.00 0.00 177.57 178.09 3kp1 h ARG 138 N 0.55 0.45 -0.15 1.57 3.08 -0.75 -0.59 114.38 118.55 3kp1 h ARG 138 Ca 0.14 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3kp1 h ARG 138 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kp1 h ARG 138 CO -0.01 0.30 0.08 0.00 -1.07 0.00 0.00 179.97 179.27 3kp1 h ALA 139 N 1.31 0.18 -0.36 0.04 0.00 -0.97 -0.81 119.26 118.65 3kp1 h ALA 139 Ca 0.25 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3kp1 h ALA 139 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kp1 h ALA 139 CO -0.20 -0.35 -0.41 1.96 0.00 0.00 0.00 179.25 180.24 3kp1 h GLN 140 N 0.17 0.92 -0.14 0.00 4.20 -1.12 -0.70 115.11 118.43 3kp1 h GLN 140 Ca 0.06 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.19 3kp1 h GLN 140 Cb -0.00 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kp1 h GLN 140 CO -0.03 1.15 -0.22 -0.09 -0.67 0.00 0.00 178.83 178.98 3kp1 h ARG 141 N 0.73 0.25 -0.16 1.46 9.65 -1.01 -0.51 114.38 124.78 3kp1 h ARG 141 Ca 0.05 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 3kp1 h ARG 141 Cb 1.01 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3kp1 h ARG 141 CO 0.10 0.46 -0.13 -0.22 2.80 0.00 0.00 179.97 182.98 3kp1 h LYS 142 N 0.23 0.37 -0.83 0.20 3.64 -0.87 -0.91 116.57 118.39 3kp1 h LYS 142 Ca 0.04 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3kp1 h LYS 142 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3kp1 h LYS 142 CO 0.04 0.73 0.42 0.00 -2.27 0.00 0.00 179.45 178.36 3kp1 h ALA 143 N 0.63 1.17 -0.09 5.00 0.00 -0.89 -2.74 119.26 122.34 3kp1 h ALA 143 Ca 0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3kp1 h ALA 143 Cb 0.65 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kp1 h ALA 143 CO 0.03 0.64 -0.47 -0.07 0.00 0.00 0.00 179.25 179.39 3kp1 h LEU 144 N 1.18 0.22 -0.33 0.00 3.38 -1.02 -0.67 115.31 118.08 3kp1 h LEU 144 Ca 0.29 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3kp1 h LEU 144 Cb 0.08 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3kp1 h LEU 144 CO -0.04 0.66 0.05 0.44 0.09 0.00 0.00 178.44 179.64 3kp1 h ASP 145 N 0.17 -0.01 -0.48 -0.43 3.32 -0.87 0.14 116.42 118.25 3kp1 h ASP 145 Ca 0.01 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3kp1 h ASP 145 Cb 0.89 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3kp1 h ASP 145 CO 0.07 0.03 0.23 -0.07 -1.72 0.00 0.00 179.24 177.78 3kp1 h LEU 146 N 0.16 0.63 -0.55 1.55 3.38 -1.24 -2.64 115.31 116.61 3kp1 h LEU 146 Ca 0.16 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3kp1 h LEU 146 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kp1 h LEU 146 CO -0.21 0.58 -0.03 0.40 0.09 0.00 0.00 178.44 179.27 3kp1 h ILE 147 N 0.64 1.27 0.00 1.22 2.04 -0.85 -2.43 117.51 119.39 3kp1 h ILE 147 Ca 0.17 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.74 3kp1 h ILE 147 Cb 0.12 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3kp1 h ILE 147 CO -0.02 0.41 -0.62 1.05 0.00 0.00 0.00 178.15 178.97 3kp1 h GLU 148 N 0.86 0.00 -0.49 2.37 4.11 -0.65 -1.45 114.58 119.33 3kp1 h GLU 148 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.45 3kp1 h GLU 148 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3kp1 h GLU 148 CO 0.03 0.62 -0.21 0.93 0.07 0.00 0.00 179.01 180.45 3kp1 h GLU 149 N 0.00 1.00 0.24 1.06 5.08 -1.42 -0.45 114.58 120.09 3kp1 h GLU 149 Ca -0.01 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3kp1 h GLU 149 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kp1 h GLU 149 CO 0.08 1.10 -0.12 1.49 -1.00 0.00 0.00 179.01 180.57 3kp1 h GLU 150 N 0.86 -0.31 0.00 2.33 4.81 -0.90 -3.04 114.58 118.33 3kp1 h GLU 150 Ca 0.11 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kp1 h GLU 150 Cb 0.79 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3kp1 h GLU 150 CO 0.07 -0.18 0.00 -0.39 -0.73 0.00 0.00 179.01 177.77 3kp1 h VAL 151 N -0.36 0.00 -0.31 0.32 -1.51 -1.32 -3.36 116.25 109.70 3kp1 h VAL 151 Ca -0.03 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3kp1 h VAL 151 Cb 0.28 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3kp1 h VAL 151 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 3kp1 n GLY 152 N 0.92 0.87 3.64 5.19 0.00 -0.27 -0.64 105.19 114.89 3kp1 n GLY 152 Ca 0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.42 0.72 0.54 1.61 3.52 -0.67 -4.61 118.95 116.63 3kp1 s ARG 153 Ca 0.00 1.10 -0.22 0.00 -0.13 0.00 0.00 55.73 56.48 3kp1 s ARG 153 Cb 0.00 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.55 3kp1 s ARG 153 CO 0.00 -0.13 1.38 -2.14 -0.81 0.00 0.00 175.30 173.60 3kp1 s PRO 154 N 1.21 3.19 -0.12 5.12 0.02 -1.26 -4.64 135.00 138.51 3kp1 s PRO 154 Ca -0.07 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.26 3kp1 s PRO 154 Cb -0.05 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 3kp1 s PRO 154 CO -0.13 -1.17 -0.18 0.42 -0.33 0.00 0.00 177.00 175.61 3kp1 s ILE 155 N -1.27 2.54 -0.20 2.83 1.01 -1.26 -4.88 121.20 119.96 3kp1 s ILE 155 Ca 0.70 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 3kp1 s ILE 155 Cb -0.42 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 3kp1 s ILE 155 CO 0.50 0.54 0.93 0.20 0.00 0.00 0.00 174.94 177.11 3kp1 s ASN 156 N 0.40 7.01 -0.04 3.58 0.01 -0.03 -4.96 114.94 120.91 3kp1 s ASN 156 Ca -0.14 1.25 -0.16 0.00 -0.71 0.00 0.00 52.86 53.10 3kp1 s ASN 156 Cb -0.17 -2.49 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 3kp1 s ASN 156 CO 0.06 -0.53 0.44 -0.47 -1.51 0.00 0.00 177.10 175.10 3kp1 s TYR 157 N 2.68 3.65 -0.02 2.20 5.04 -1.26 -1.19 117.35 128.44 3kp1 s TYR 157 Ca 0.41 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 3kp1 s TYR 157 Cb -0.16 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.76 3kp1 s TYR 157 CO 0.10 0.45 0.05 -1.58 -1.34 0.00 0.00 175.55 173.22 3kp1 s HIS 158 N -0.40 -0.03 0.00 4.97 5.65 -0.41 -1.18 115.29 123.88 3kp1 s HIS 158 Ca 0.25 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.70 3kp1 s HIS 158 Cb -0.16 -0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.17 3kp1 s HIS 158 CO 0.12 -0.06 0.00 0.45 -0.65 0.00 0.00 174.74 174.61 3kp1 n SER 159 N 3.52 0.00 -4.23 9.88 2.88 -1.09 -0.45 113.62 124.14 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 -0.17 0.00 -0.75 0.00 0.00 64.21 63.85 3kp1 n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kp1 s TYR 160 N -0.75 2.52 -2.61 0.66 2.02 -1.26 -1.70 117.35 116.23 3kp1 s TYR 160 Ca 0.00 -0.97 0.24 0.00 -0.37 0.00 0.00 57.07 55.97 3kp1 s TYR 160 Cb 0.00 -1.68 0.53 0.00 -0.40 0.00 0.00 41.96 40.41 3kp1 s TYR 160 CO 0.00 -0.37 1.45 0.28 -1.57 0.00 0.00 175.55 175.34 3kp1 n VAL 161 N 3.39 0.19 -1.61 0.71 0.31 -0.30 -4.92 118.33 116.10 3kp1 n VAL 161 Ca -0.19 -0.49 -0.37 0.00 -0.01 0.00 0.00 64.34 63.28 3kp1 n VAL 161 Cb 0.53 0.94 0.06 0.00 -0.91 0.00 0.00 33.84 34.46 3kp1 n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kp1 n SER 162 N 0.97 0.98 0.00 4.52 7.64 -1.25 -3.97 113.62 122.50 3kp1 n SER 162 Ca 0.17 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.83 3kp1 n SER 162 Cb 0.50 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3kp1 n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kp1 n GLY 163 N 1.19 -0.04 0.03 0.23 0.00 -1.26 -4.43 105.19 100.91 3kp1 n GLY 163 Ca 0.14 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 44.05 3kp1 n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp1 n VAL 164 N 0.00 0.00 -1.72 1.61 0.24 -0.03 -3.66 118.33 114.76 3kp1 n VAL 164 Ca 0.00 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 3kp1 n VAL 164 Cb 0.00 -0.29 0.14 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.29 4.31 -0.12 2.33 0.00 -1.26 -4.84 120.51 119.65 3kp1 n ALA 165 Ca 0.11 -3.47 -0.06 0.00 0.00 0.00 0.00 53.44 50.02 3kp1 n ALA 165 Cb 0.30 -0.43 0.01 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 1.45 0.05 0.89 0.00 0.00 -1.69 -1.39 103.07 102.38 3kp1 h GLY 166 Ca 0.18 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.81 3kp1 h GLY 166 CO 0.37 -0.20 0.52 -2.55 0.00 0.00 0.00 176.54 174.67 3kp1 h PRO 167 N -0.14 0.98 0.12 4.80 0.11 -1.87 0.13 132.00 136.12 3kp1 h PRO 167 Ca 0.19 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.25 3kp1 h PRO 167 Cb 0.44 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3kp1 h PRO 167 CO -0.49 0.65 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.38 3kp1 h ASP 168 N 1.01 -0.36 -0.51 -2.05 3.32 -1.74 -2.03 116.42 114.05 3kp1 h ASP 168 Ca 0.32 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 3kp1 h ASP 168 Cb -0.00 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kp1 h ASP 168 CO -0.11 -0.20 -0.02 0.40 -1.72 0.00 0.00 179.24 177.59 3kp1 h ILE 169 N -0.29 1.26 -0.23 0.35 2.04 -0.97 -2.57 117.51 117.11 3kp1 h ILE 169 Ca 0.01 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3kp1 h ILE 169 Cb 0.28 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3kp1 h ILE 169 CO -0.05 0.40 0.09 0.00 0.00 0.00 0.00 178.15 178.60 3kp1 h ALA 170 N 1.09 0.26 -0.47 1.87 0.00 -0.60 0.75 119.26 122.15 3kp1 h ALA 170 Ca 0.16 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3kp1 h ALA 170 Cb 0.54 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3kp1 h ALA 170 CO 0.03 -0.33 0.15 0.28 0.00 0.00 0.00 179.25 179.39 3kp1 h VAL 171 N 0.20 0.82 -0.49 0.00 2.07 -1.19 0.64 116.25 118.30 3kp1 h VAL 171 Ca 0.10 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kp1 h VAL 171 Cb 0.05 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3kp1 h VAL 171 CO -0.09 0.06 0.21 -0.03 0.02 0.00 0.00 177.57 177.74 3kp1 h MET 172 N 0.32 0.72 -0.16 1.57 -1.53 -1.04 -0.53 114.93 114.28 3kp1 h MET 172 Ca 0.23 -0.12 -0.00 0.00 -3.44 0.00 0.00 59.70 56.36 3kp1 h MET 172 Cb 0.25 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 3kp1 h MET 172 CO -0.25 0.63 0.09 0.74 0.14 0.00 0.00 176.91 178.26 3kp1 h PHE 173 N 0.64 0.22 -0.49 1.39 -1.00 -0.53 -0.15 116.94 117.03 3kp1 h PHE 173 Ca 0.16 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.98 3kp1 h PHE 173 Cb 0.17 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 3kp1 h PHE 173 CO 0.00 0.21 0.24 0.00 -1.61 0.00 0.00 178.31 177.16 3kp1 h ALA 174 N 0.98 0.62 -0.91 2.45 0.00 -0.78 -1.66 119.26 119.97 3kp1 h ALA 174 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kp1 h ALA 174 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 174 CO -0.01 -0.11 0.55 0.93 0.00 0.00 0.00 179.25 180.61 3kp1 h GLU 175 N 0.48 1.24 -0.56 0.00 5.08 -0.83 -3.23 114.58 116.76 3kp1 h GLU 175 Ca 0.22 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kp1 h GLU 175 Cb 0.13 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3kp1 h GLU 175 CO -0.16 0.87 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 3kp1 n GLU 176 N -4.38 2.46 -2.04 2.33 -0.58 -0.09 -4.80 120.64 113.54 3kp1 n GLU 176 Ca 0.10 -2.25 -0.05 0.00 -0.42 0.00 0.00 57.16 54.53 3kp1 n GLU 176 Cb 0.06 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.51 0.19 3.73 0.62 0.00 -0.74 -4.67 105.19 105.83 3kp1 n GLY 177 Ca 0.21 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.26 3.15 -0.11 1.61 1.01 -0.70 -4.75 120.40 118.35 3kp1 s VAL 178 Ca 0.00 0.92 0.16 0.00 0.00 0.00 0.00 61.98 63.06 3kp1 s VAL 178 Cb 0.00 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 3kp1 s VAL 178 CO 0.00 0.12 0.84 0.78 0.00 0.00 0.00 175.10 176.84 3kp1 h ASN 179 N 5.65 0.00 -5.12 3.32 4.21 -1.43 -3.42 115.58 118.79 3kp1 h ASN 179 Ca -0.44 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.01 3kp1 h ASN 179 Cb 1.21 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.29 3kp1 h ASN 179 CO 0.79 0.64 -0.12 -0.83 -1.29 0.00 0.00 177.43 176.62 3kp1 s GLY 180 N -4.82 -0.06 -0.04 2.83 0.00 -0.89 -2.39 107.32 101.95 3kp1 s GLY 180 Ca -0.03 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 3kp1 s GLY 180 CO 0.81 -0.44 0.74 0.00 0.00 0.00 0.00 173.10 174.21 3kp1 s ALA 181 N -3.85 -1.78 0.11 3.20 0.00 -0.54 -2.65 121.76 116.24 3kp1 s ALA 181 Ca 0.07 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 3kp1 s ALA 181 Cb 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 3kp1 s ALA 181 CO -0.08 -0.43 0.99 -1.01 0.00 0.00 0.00 175.76 175.23 3kp1 s HIS 182 N -1.61 3.77 -0.22 0.00 3.76 -0.69 -1.56 115.29 118.74 3kp1 s HIS 182 Ca -0.07 1.76 -0.08 0.00 -0.15 0.00 0.00 55.06 56.52 3kp1 s HIS 182 Cb -0.00 -3.10 0.10 0.00 1.11 0.00 0.00 32.58 30.69 3kp1 s HIS 182 CO 0.04 0.05 0.48 -1.14 -0.85 0.00 0.00 174.74 173.32 3kp1 s GLN 183 N 0.07 0.39 -0.25 1.40 -0.44 -0.79 -1.15 119.66 118.89 3kp1 s GLN 183 Ca 0.48 1.13 -0.03 0.00 -2.50 0.00 0.00 55.36 54.44 3kp1 s GLN 183 Cb -0.24 0.45 0.13 0.00 -1.64 0.00 0.00 33.01 31.71 3kp1 s GLN 183 CO 0.30 -0.24 0.43 0.34 0.50 0.00 0.00 175.29 176.63 3kp1 s ASP 184 N 2.63 -0.15 0.56 6.67 -1.08 -1.26 -4.60 116.67 119.44 3kp1 s ASP 184 Ca -0.03 0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.76 3kp1 s ASP 184 Cb -0.12 1.36 1.63 0.00 -1.46 0.00 0.00 42.92 44.33 3kp1 s ASP 184 CO -0.14 -0.28 2.21 1.55 0.52 0.00 0.00 175.17 179.03 3kp1 h PRO 185 N 8.15 0.00 -0.01 4.34 0.13 -1.98 -0.60 132.00 142.02 3kp1 h PRO 185 Ca -0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.83 3kp1 h PRO 185 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kp1 h PRO 185 CO 0.24 0.01 -0.48 1.96 -0.23 0.00 0.00 178.00 179.50 3kp1 h GLN 186 N 0.00 0.03 -0.33 0.86 4.20 -1.96 -3.00 115.11 114.91 3kp1 h GLN 186 Ca -0.00 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3kp1 h GLN 186 Cb 0.03 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3kp1 h GLN 186 CO 0.00 0.51 0.14 -0.92 -0.67 0.00 0.00 178.83 177.89 3kp1 h TYR 187 N 0.03 0.26 -0.81 2.96 3.20 -1.46 -0.67 116.97 120.48 3kp1 h TYR 187 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kp1 h TYR 187 Cb 0.86 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3kp1 h TYR 187 CO 0.00 0.13 0.52 -0.91 -1.64 0.00 0.00 178.16 176.27 3kp1 h ASN 188 N 0.30 0.94 0.23 -2.11 2.35 -1.57 -1.50 115.58 114.22 3kp1 h ASN 188 Ca 0.14 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3kp1 h ASN 188 Cb 0.08 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3kp1 h ASN 188 CO -0.12 0.69 -0.11 0.58 -1.65 0.00 0.00 177.43 176.82 3kp1 h VAL 189 N 1.10 0.52 -0.35 2.81 2.07 -1.47 0.14 116.25 121.08 3kp1 h VAL 189 Ca 0.29 -0.97 -0.17 0.00 0.82 0.00 0.00 66.70 66.68 3kp1 h VAL 189 Cb -0.11 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3kp1 h VAL 189 CO -0.06 0.14 -0.46 -0.07 0.02 0.00 0.00 177.57 177.14 3kp1 h LEU 190 N -0.97 1.00 0.00 2.57 3.38 -1.09 -2.59 115.31 117.62 3kp1 h LEU 190 Ca -0.03 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3kp1 h LEU 190 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kp1 h LEU 190 CO 0.05 1.30 -1.56 -1.22 0.09 0.00 0.00 178.44 177.10 3kp1 n TYR 191 N -4.04 0.00 0.06 1.13 4.01 -0.57 -4.52 117.16 113.24 3kp1 n TYR 191 Ca -0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3kp1 n TYR 191 Cb 0.58 -0.29 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.93 -0.24 -3.92 -0.72 5.12 -1.11 -5.02 116.66 108.85 3kp1 n ARG 192 Ca -0.02 -0.75 -0.30 0.00 -1.93 0.00 0.00 57.85 54.86 3kp1 n ARG 192 Cb 0.35 -1.04 0.02 0.00 -1.16 0.00 0.00 32.46 30.64 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 0.05 -4.22 -4.76 0.55 5.15 -0.75 -4.84 115.26 106.44 3kp1 n ASN 193 Ca 0.01 -0.81 -0.40 0.00 -0.60 0.00 0.00 54.58 52.79 3kp1 n ASN 193 Cb 0.08 -3.79 -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 -3.35 4.35 0.13 -1.44 1.01 -0.04 -0.88 121.20 120.98 3kp1 s ILE 194 Ca 0.59 1.82 -0.35 0.00 0.00 0.00 0.00 60.65 62.71 3kp1 s ILE 194 Cb -0.30 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.82 3kp1 s ILE 194 CO 0.84 0.48 1.38 -3.20 0.00 0.00 0.00 174.94 174.44 3kp1 n ASN 195 N 1.83 2.07 0.11 3.58 2.85 0.19 -4.07 115.26 121.82 3kp1 n ASN 195 Ca -0.04 1.11 -0.01 0.00 -0.11 0.00 0.00 54.58 55.54 3kp1 n ASN 195 Cb 0.48 -1.28 0.26 0.00 1.24 0.00 0.00 39.78 40.49 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 4.72 0.19 -0.11 1.20 -0.00 -1.83 -1.09 114.93 118.00 3kp1 h MET 196 Ca -0.46 -0.08 -0.04 0.00 -0.00 0.00 0.00 59.70 59.11 3kp1 h MET 196 Cb 1.31 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.90 3kp1 h MET 196 CO 0.79 0.55 -0.09 0.82 -0.00 0.00 0.00 176.91 178.98 3kp1 h ILE 197 N 0.17 1.35 -0.78 -0.10 2.04 -1.90 -2.53 117.51 115.75 3kp1 h ILE 197 Ca 0.02 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 3kp1 h ILE 197 Cb 0.75 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3kp1 h ILE 197 CO 0.06 0.35 0.43 -0.09 0.00 0.00 0.00 178.15 178.89 3kp1 h ARG 198 N -0.13 1.08 -0.12 2.37 2.43 -1.84 -2.40 114.38 115.77 3kp1 h ARG 198 Ca 0.02 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3kp1 h ARG 198 Cb 0.59 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3kp1 h ARG 198 CO 0.02 0.80 0.04 1.03 -1.51 0.00 0.00 179.97 180.36 3kp1 h SER 199 N 1.08 0.05 0.21 -3.80 0.87 -1.16 -0.76 113.55 110.04 3kp1 h SER 199 Ca 0.27 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.67 3kp1 h SER 199 Cb 0.03 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3kp1 h SER 199 CO -0.04 0.05 -0.67 -0.26 -0.53 0.00 0.00 176.83 175.37 3kp1 h PHE 200 N 0.10 0.56 -0.34 2.24 -1.00 -1.40 -1.27 116.94 115.83 3kp1 h PHE 200 Ca 0.05 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.57 3kp1 h PHE 200 Cb 0.03 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 3kp1 h PHE 200 CO -0.10 0.97 0.10 0.82 -1.61 0.00 0.00 178.31 178.49 3kp1 h ILE 201 N 0.30 1.21 -0.86 -0.55 2.04 -1.34 -2.92 117.51 115.39 3kp1 h ILE 201 Ca -0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3kp1 h ILE 201 Cb 1.23 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3kp1 h ILE 201 CO 0.12 0.23 0.47 0.44 0.00 0.00 0.00 178.15 179.41 3kp1 h ASP 202 N 0.39 1.06 -0.07 1.72 5.19 -1.04 -2.97 116.42 120.71 3kp1 h ASP 202 Ca 0.11 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3kp1 h ASP 202 Cb 0.25 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3kp1 h ASP 202 CO -0.00 0.85 -0.03 0.00 -3.12 0.00 0.00 179.24 176.94 3kp1 h ALA 203 N 1.32 1.60 -0.79 3.45 0.00 -1.05 -0.38 119.26 123.42 3kp1 h ALA 203 Ca 0.30 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3kp1 h ALA 203 Cb 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3kp1 h ALA 203 CO -0.05 0.29 0.46 0.00 0.00 0.00 0.00 179.25 179.95 3kp1 h GLU 205 N 0.81 0.03 -0.58 0.00 4.57 -1.38 -2.70 114.58 115.33 3kp1 h GLU 205 Ca 0.36 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.63 3kp1 h GLU 205 Cb 0.25 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 3kp1 h GLU 205 CO -0.20 0.76 0.09 0.77 -1.18 0.00 0.00 179.01 179.24 3kp1 h SER 206 N -0.70 -0.07 0.17 1.04 0.02 -1.00 -1.50 113.55 111.52 3kp1 h SER 206 Ca -0.00 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3kp1 h SER 206 Cb 0.77 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3kp1 h SER 206 CO 0.01 -0.02 -0.46 0.11 -1.14 0.00 0.00 176.83 175.33 3kp1 h LYS 207 N 0.21 0.35 -0.62 3.45 1.57 -1.27 -1.43 116.57 118.82 3kp1 h LYS 207 Ca 0.30 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3kp1 h LYS 207 Cb 0.46 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3kp1 h LYS 207 CO -0.42 0.74 0.11 1.15 -0.57 0.00 0.00 179.45 180.46 3kp1 h THR 208 N 0.28 1.26 -0.31 -0.16 2.02 -1.08 0.27 112.91 115.19 3kp1 h THR 208 Ca 0.02 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 3kp1 h THR 208 Cb 0.92 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3kp1 h THR 208 CO 0.08 0.37 -0.06 0.40 0.37 0.00 0.00 175.52 176.67 3kp1 h ILE 209 N 0.93 1.28 -0.92 3.11 2.04 -1.08 -1.99 117.51 120.88 3kp1 h ILE 209 Ca 0.19 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3kp1 h ILE 209 Cb 0.42 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3kp1 h ILE 209 CO 0.01 0.35 0.52 0.24 0.00 0.00 0.00 178.15 179.27 3kp1 h MET 210 N 0.37 1.27 -0.51 2.37 2.86 -1.15 -1.95 114.93 118.19 3kp1 h MET 210 Ca 0.08 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3kp1 h MET 210 Cb 0.55 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3kp1 h MET 210 CO 0.03 0.91 0.05 0.00 1.06 0.00 0.00 176.91 178.96 3kp1 h ALA 211 N 1.28 0.68 -0.94 6.32 0.00 -0.85 -2.04 119.26 123.71 3kp1 h ALA 211 Ca 0.32 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3kp1 h ALA 211 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 3kp1 h ALA 211 CO -0.05 0.45 0.60 2.35 0.00 0.00 0.00 179.25 182.59 3kp1 h TRP 212 N 0.74 0.97 -0.09 0.00 7.01 -1.06 -1.60 115.95 121.92 3kp1 h TRP 212 Ca 0.15 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3kp1 h TRP 212 Cb 0.45 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 3kp1 h TRP 212 CO 0.03 0.36 0.00 0.00 -2.79 0.00 0.00 178.44 176.04 3kp1 n ALA 213 N -2.39 2.56 -3.80 2.65 0.00 -0.76 -4.90 120.51 113.87 3kp1 n ALA 213 Ca 0.18 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 3kp1 n ALA 213 Cb 0.43 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.11 -4.99 -4.83 0.00 2.03 -0.60 -3.66 116.55 104.39 3kp1 n ASP 214 Ca 0.16 -0.70 -0.35 0.00 0.52 0.00 0.00 54.79 54.42 3kp1 n ASP 214 Cb 0.24 -3.99 -0.06 0.00 -0.72 0.00 0.00 41.12 36.59 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 -6.51 4.14 0.31 -0.67 -1.94 -0.84 -2.11 119.30 111.68 3kp1 s MET 215 Ca 0.63 0.76 -0.28 0.00 -1.71 0.00 0.00 55.69 55.09 3kp1 s MET 215 Cb -0.31 -2.71 -0.09 0.00 2.01 0.00 0.00 34.83 33.72 3kp1 s MET 215 CO 0.77 0.31 1.10 0.00 -0.01 0.00 0.00 175.02 177.19 3kp1 s ALA 216 N -1.69 3.34 -0.10 3.03 0.00 -1.00 -4.81 121.76 120.52 3kp1 s ALA 216 Ca 0.47 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.32 3kp1 s ALA 216 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3kp1 s ALA 216 CO 0.20 -0.21 -0.12 -1.14 0.00 0.00 0.00 175.76 174.49 3kp1 s GLN 217 N -1.68 3.11 -0.10 0.00 0.74 0.58 -1.46 119.66 120.86 3kp1 s GLN 217 Ca 0.47 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 55.22 3kp1 s GLN 217 Cb -0.31 -2.58 -0.03 0.00 1.10 0.00 0.00 33.01 31.20 3kp1 s GLN 217 CO 0.39 0.37 -0.08 0.42 -0.55 0.00 0.00 175.29 175.84 3kp1 s ILE 218 N -0.04 3.60 0.50 -2.34 1.01 -0.60 -0.55 121.20 122.77 3kp1 s ILE 218 Ca -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3kp1 s ILE 218 Cb -0.14 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 39.93 3kp1 s ILE 218 CO 0.04 0.56 0.68 -0.90 0.00 0.00 0.00 174.94 175.32 3kp1 n ASP 219 N 2.72 0.70 -0.92 3.58 5.68 -0.99 -1.88 116.55 125.43 3kp1 n ASP 219 Ca -0.18 -1.64 0.08 0.00 -0.50 0.00 0.00 54.79 52.55 3kp1 n ASP 219 Cb 0.53 -0.46 0.24 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.05 3.54 0.25 6.12 0.00 -1.26 -4.53 105.19 109.27 3kp1 n GLY 223 Ca 0.11 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 2.14 1.80 -0.20 4.61 0.00 -1.93 -1.74 119.26 123.94 3kp1 h ALA 224 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 224 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3kp1 h ALA 224 CO 0.18 0.08 0.29 1.12 0.00 0.00 0.00 179.25 180.91 3kp1 h HIS 225 N 0.00 0.00 -0.15 0.00 2.07 -1.84 1.00 115.15 116.22 3kp1 h HIS 225 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3kp1 h HIS 225 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 3kp1 h HIS 225 CO 0.00 0.00 -0.05 -0.91 -3.07 0.00 0.00 177.93 173.90 3kp1 h ASN 226 N 0.00 0.21 0.18 3.10 2.35 -1.69 -2.59 115.58 117.14 3kp1 h ASN 226 Ca 0.09 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3kp1 h ASN 226 Cb 0.67 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3kp1 h ASN 226 CO -0.00 0.30 -0.32 0.00 -1.65 0.00 0.00 177.43 175.75 3kp1 h ALA 227 N 1.73 1.24 -0.06 -0.83 0.00 -0.99 -2.33 119.26 118.02 3kp1 h ALA 227 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kp1 h ALA 227 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kp1 h ALA 227 CO 0.01 0.51 -0.03 -0.91 0.00 0.00 0.00 179.25 178.84 3kp1 h ASN 228 N 0.20 -0.09 -0.61 0.00 4.21 -1.54 -2.14 115.58 115.62 3kp1 h ASN 228 Ca 0.03 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 3kp1 h ASN 228 Cb 0.68 0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.90 3kp1 h ASN 228 CO 0.05 -0.04 0.26 0.00 -1.29 0.00 0.00 177.43 176.42 3kp1 h ALA 229 N 1.05 1.27 0.00 -0.83 0.00 -1.36 -2.99 119.26 116.40 3kp1 h ALA 229 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kp1 h ALA 229 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kp1 h ALA 229 CO -0.08 0.54 -0.72 0.25 0.00 0.00 0.00 179.25 179.25 3kp1 n THR 230 N -4.32 0.04 -1.86 0.00 -2.24 -0.91 -4.89 114.28 100.11 3kp1 n THR 230 Ca 0.06 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3kp1 n THR 230 Cb 0.16 0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.04 3.52 0.12 6.98 0.00 -0.81 -4.93 121.76 123.60 3kp1 s ALA 231 Ca 0.09 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 3kp1 s ALA 231 Cb 0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3kp1 s ALA 231 CO 0.76 -1.01 1.49 0.00 0.00 0.00 0.00 175.76 177.01 3kp1 h ARG 232 N 2.98 0.76 -3.67 0.00 2.47 -1.88 -3.41 114.38 111.62 3kp1 h ARG 232 Ca -0.51 -0.33 -0.52 0.00 -1.26 0.00 0.00 59.98 57.37 3kp1 h ARG 232 Cb 1.24 -0.02 -0.39 0.00 -1.65 0.00 0.00 29.97 29.14 3kp1 h ARG 232 CO 0.64 0.94 -0.77 -1.21 0.56 0.00 0.00 179.97 180.14 3kp1 s GLU 233 N -4.63 0.79 0.54 0.04 8.01 -1.26 -5.04 118.70 117.14 3kp1 s GLU 233 Ca -0.12 -0.42 0.28 0.00 0.01 0.00 0.00 54.97 54.71 3kp1 s GLU 233 Cb 0.10 -2.03 1.52 0.00 -4.31 0.00 0.00 34.13 29.40 3kp1 s GLU 233 CO 0.82 -0.59 2.10 0.00 0.01 0.00 0.00 175.26 177.61 3kp1 h ALA 234 N 8.22 1.30 0.00 5.21 0.00 -1.84 -1.87 119.26 130.28 3kp1 h ALA 234 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kp1 h ALA 234 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kp1 h ALA 234 CO 0.34 0.12 0.00 -2.67 0.00 0.00 0.00 179.25 177.04 3kp1 n TRP 235 N -3.64 0.00 0.58 0.00 2.14 -1.26 -2.55 117.44 112.72 3kp1 n TRP 235 Ca -0.02 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.61 3kp1 n TRP 235 Cb 0.21 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.70 3kp1 n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kp1 n LYS 236 N -0.92 2.06 -0.05 -2.67 5.02 -0.70 -4.67 118.16 116.23 3kp1 n LYS 236 Ca 0.14 -0.57 0.12 0.00 -2.02 0.00 0.00 58.31 55.98 3kp1 n LYS 236 Cb 0.07 -1.16 0.23 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.40 0.13 -0.34 -0.18 3.14 -1.06 -4.17 118.33 115.46 3kp1 n VAL 237 Ca 0.05 -0.49 0.03 0.00 -2.96 0.00 0.00 64.34 60.97 3kp1 n VAL 237 Cb 0.26 1.08 0.18 0.00 -1.06 0.00 0.00 33.84 34.30 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 3.97 0.98 -0.72 1.45 2.86 -1.83 -1.43 114.93 120.20 3kp1 h MET 238 Ca 0.00 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3kp1 h MET 238 Cb 0.85 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3kp1 h MET 238 CO 0.00 0.65 0.18 -1.35 1.06 0.00 0.00 176.91 177.45 3kp1 h PRO 239 N 1.00 1.15 -0.76 -0.22 0.11 -1.90 -2.26 132.00 129.12 3kp1 h PRO 239 Ca 0.42 -0.27 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3kp1 h PRO 239 Cb 0.27 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3kp1 h PRO 239 CO -0.21 1.00 0.33 1.49 -0.21 0.00 0.00 178.00 180.41 3kp1 h GLU 240 N 1.09 1.11 -0.55 1.05 4.81 -1.73 -2.40 114.58 117.96 3kp1 h GLU 240 Ca 0.23 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3kp1 h GLU 240 Cb 0.37 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 3kp1 h GLU 240 CO 0.00 0.89 0.28 -0.07 -0.73 0.00 0.00 179.01 179.38 3kp1 h LEU 241 N 1.08 0.41 -0.42 1.64 3.38 -1.02 -0.10 115.31 120.28 3kp1 h LEU 241 Ca 0.26 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kp1 h LEU 241 Cb 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kp1 h LEU 241 CO -0.03 0.28 0.27 0.24 0.09 0.00 0.00 178.44 179.28 3kp1 h MET 242 N 0.54 0.52 0.00 1.13 2.86 -1.23 0.60 114.93 119.35 3kp1 h MET 242 Ca 0.24 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3kp1 h MET 242 Cb 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3kp1 h MET 242 CO -0.17 0.35 -0.03 0.28 1.06 0.00 0.00 176.91 178.40 3kp1 h VAL 243 N 0.54 0.93 -0.49 -2.22 2.07 -0.99 -0.66 116.25 115.42 3kp1 h VAL 243 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3kp1 h VAL 243 Cb -0.03 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3kp1 h VAL 243 CO -0.05 0.00 0.29 1.56 0.02 0.00 0.00 177.57 179.38 3kp1 h GLN 244 N -0.05 0.55 -0.66 1.57 4.20 -0.65 0.89 115.11 120.96 3kp1 h GLN 244 Ca 0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3kp1 h GLN 244 Cb 0.06 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3kp1 h GLN 244 CO -0.03 0.36 0.43 0.45 -0.67 0.00 0.00 178.83 179.37 3kp1 h HIS 245 N 0.57 0.81 -0.19 2.96 3.86 -0.81 -2.40 115.15 119.95 3kp1 h HIS 245 Ca 0.20 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3kp1 h HIS 245 Cb 0.04 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 3kp1 h HIS 245 CO -0.07 0.49 -0.10 0.00 0.86 0.00 0.00 177.93 179.10 3kp1 h ALA 246 N 1.26 0.27 -0.39 2.45 0.00 -0.28 -0.39 119.26 122.17 3kp1 h ALA 246 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kp1 h ALA 246 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kp1 h ALA 246 CO -0.07 0.11 0.21 -0.07 0.00 0.00 0.00 179.25 179.42 3kp1 h LEU 247 N 0.09 0.50 -0.46 0.00 3.38 -0.81 -1.02 115.31 117.01 3kp1 h LEU 247 Ca 0.04 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3kp1 h LEU 247 Cb 0.60 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kp1 h LEU 247 CO 0.03 0.46 -0.14 -1.13 0.09 0.00 0.00 178.44 177.75 3kp1 h ASN 248 N 0.50 0.91 0.05 -0.43 -1.24 -1.42 -2.27 115.58 111.68 3kp1 h ASN 248 Ca 0.14 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 56.77 3kp1 h ASN 248 Cb 0.08 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.88 3kp1 h ASN 248 CO -0.02 1.08 -0.02 0.28 -1.29 0.00 0.00 177.43 177.46 3kp1 h SER 249 N 0.74 -0.05 0.19 1.15 0.02 -0.80 -0.47 113.55 114.32 3kp1 h SER 249 Ca 0.11 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 3kp1 h SER 249 Cb 0.70 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 3kp1 h SER 249 CO 0.05 -0.04 -0.68 -0.29 -1.14 0.00 0.00 176.83 174.74 3kp1 h ILE 250 N -0.07 1.36 -0.09 3.27 6.09 -1.24 -1.18 117.51 125.66 3kp1 h ILE 250 Ca -0.01 -2.04 0.02 0.00 -1.37 0.00 0.00 64.86 61.47 3kp1 h ILE 250 Cb 0.05 2.02 -0.02 0.00 0.47 0.00 0.00 36.82 39.33 3kp1 h ILE 250 CO 0.01 0.62 -0.05 0.15 -3.07 0.00 0.00 178.15 175.81 3kp1 h PHE 251 N 0.32 -0.11 -0.61 2.19 3.57 -1.39 -0.38 116.94 120.52 3kp1 h PHE 251 Ca -0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kp1 h PHE 251 Cb 1.24 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 3kp1 h PHE 251 CO 0.04 -0.08 0.36 0.77 -2.23 0.00 0.00 178.31 177.17 3kp1 h SER 252 N -0.04 0.56 -0.39 0.41 0.02 -0.91 -1.27 113.55 111.93 3kp1 h SER 252 Ca 0.05 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3kp1 h SER 252 Cb 0.12 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3kp1 h SER 252 CO -0.12 0.38 0.13 0.25 -1.14 0.00 0.00 176.83 176.34 3kp1 h LEU 253 N 0.69 0.55 -1.23 5.07 5.85 -1.03 -2.12 115.31 123.09 3kp1 h LEU 253 Ca 0.25 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kp1 h LEU 253 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kp1 h LEU 253 CO -0.13 0.59 0.07 0.11 -0.34 0.00 0.00 178.44 178.75 3kp1 h LYS 254 N 0.48 0.61 -0.02 1.25 1.79 -0.74 -1.01 116.57 118.92 3kp1 h LYS 254 Ca 0.13 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3kp1 h LYS 254 Cb 0.23 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3kp1 h LYS 254 CO -0.01 0.58 0.01 0.28 -1.08 0.00 0.00 179.45 179.23 3kp1 h VAL 255 N 0.59 1.01 0.00 0.50 2.07 -1.11 -3.46 116.25 115.85 3kp1 h VAL 255 Ca 0.13 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3kp1 h VAL 255 Cb 0.27 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kp1 h VAL 255 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3kp1 n GLY 256 N -1.53 0.78 3.77 2.17 0.00 -0.38 -4.88 105.19 105.12 3kp1 n GLY 256 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3kp1 n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kp1 s MET 257 N 0.00 4.33 0.19 1.61 0.00 -0.81 -4.98 119.30 119.63 3kp1 s MET 257 Ca 0.00 1.98 -0.30 0.00 0.00 0.00 0.00 55.69 57.37 3kp1 s MET 257 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 34.83 31.78 3kp1 s MET 257 CO 0.00 -0.13 1.27 0.15 0.00 0.00 0.00 175.02 176.32 3kp1 s LYS 258 N -1.87 4.42 0.38 4.11 1.02 -1.26 -4.42 119.74 122.12 3kp1 s LYS 258 Ca 0.50 1.99 0.14 0.00 0.02 0.00 0.00 55.97 58.63 3kp1 s LYS 258 Cb -0.35 -3.22 0.98 0.00 -0.52 0.00 0.00 37.83 34.73 3kp1 s LYS 258 CO 0.45 -0.21 1.80 -0.22 -0.92 0.00 0.00 175.35 176.26 3kp1 h LYS 259 N 5.43 0.50 0.00 1.68 3.64 -1.94 0.27 116.57 126.15 3kp1 h LYS 259 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 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 0.77 0.33 0.00 -1.13 -2.27 0.00 0.00 179.45 177.15 3kp1 n SER 260 N -4.62 0.00 -0.62 4.20 3.41 -1.26 -2.07 113.62 112.66 3kp1 n SER 260 Ca 0.22 -0.44 0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3kp1 n SER 260 Cb 0.72 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.14 2.30 -4.44 4.04 3.02 0.93 -4.86 115.26 115.11 3kp1 n ASN 261 Ca 0.15 -1.65 -0.44 0.00 -0.03 0.00 0.00 54.58 52.62 3kp1 n ASN 261 Cb 0.14 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.29 5.13 -0.17 2.41 1.01 -0.88 -0.30 121.20 127.11 3kp1 s ILE 262 Ca 0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3kp1 s ILE 262 Cb 0.13 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3kp1 s ILE 262 CO 0.19 -0.53 -0.05 0.00 0.00 0.00 0.00 174.94 174.56 3kp1 s LEU 264 N 0.68 4.47 -0.60 0.00 1.02 -0.08 -2.36 118.68 121.81 3kp1 s LEU 264 Ca -0.02 1.56 -0.19 0.00 0.02 0.00 0.00 54.13 55.49 3kp1 s LEU 264 Cb -0.15 -3.35 0.10 0.00 0.02 0.00 0.00 46.19 42.82 3kp1 s LEU 264 CO 0.02 -0.01 0.75 -0.55 0.02 0.00 0.00 176.35 176.58 3kp1 s SER 265 N -0.05 6.18 -0.20 2.29 0.15 -1.26 -0.23 113.70 120.58 3kp1 s SER 265 Ca 0.41 -1.37 0.01 0.00 0.70 0.00 0.00 55.95 55.71 3kp1 s SER 265 Cb -0.21 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3kp1 s SER 265 CO 0.25 -1.17 -0.17 0.28 1.20 0.00 0.00 173.24 173.63 3kp1 s THR 266 N 2.91 2.14 -0.19 6.45 -1.32 -0.27 -3.67 115.64 121.69 3kp1 s THR 266 Ca 0.13 -1.08 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 3kp1 s THR 266 Cb -0.23 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.76 3kp1 s THR 266 CO 0.07 0.40 -0.06 -0.69 -2.21 0.00 0.00 174.62 172.13 3kp1 s VAL 267 N 1.25 3.38 -0.15 5.08 1.01 -1.26 -2.04 120.40 127.67 3kp1 s VAL 267 Ca 0.02 -0.51 -0.38 0.00 0.00 0.00 0.00 61.98 61.12 3kp1 s VAL 267 Cb -0.15 -2.51 -0.15 0.00 0.00 0.00 0.00 36.38 33.58 3kp1 s VAL 267 CO -0.11 0.45 1.72 -2.65 0.00 0.00 0.00 175.10 174.52 3kp1 n PRO 268 N 4.37 1.51 -0.01 2.72 -0.02 -1.26 -4.85 135.00 137.45 3kp1 n PRO 268 Ca -0.18 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3kp1 n PRO 268 Cb 0.51 -2.28 0.55 0.00 -0.02 0.00 0.00 33.50 32.26 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 7.38 0.28 -5.11 0.52 0.11 -1.92 -3.45 132.00 129.81 3kp1 h PRO 269 Ca -0.47 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 3kp1 h PRO 269 Cb 1.30 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3kp1 h PRO 269 CO 0.93 0.19 -0.54 0.95 -0.21 0.00 0.00 178.00 179.32 3kp1 s THR 270 N -5.29 0.83 0.08 -1.15 -4.23 -1.26 -4.58 115.64 100.04 3kp1 s THR 270 Ca -0.07 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 3kp1 s THR 270 Cb 0.19 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.62 3kp1 s THR 270 CO 0.73 0.00 0.28 0.00 -0.54 0.00 0.00 174.62 175.09 3kp1 s ALA 271 N -3.17 -0.55 0.63 3.99 0.00 -1.26 -4.89 121.76 116.52 3kp1 s ALA 271 Ca 0.24 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 3kp1 s ALA 271 Cb 0.04 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3kp1 s ALA 271 CO 0.13 -0.50 1.08 -2.30 0.00 0.00 0.00 175.76 174.17 3kp1 n PRO 272 N 0.16 0.93 0.00 0.00 -0.02 -1.26 -1.87 135.00 132.94 3kp1 n PRO 272 Ca -0.17 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3kp1 n PRO 272 Cb 0.61 -2.30 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 3kp1 n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kp1 n PRO 273 N -1.41 0.86 -1.75 0.52 -0.04 -1.26 -5.07 135.00 126.85 3kp1 n PRO 273 Ca 0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 3kp1 n PRO 273 Cb 0.48 -1.14 0.06 0.00 -0.04 0.00 0.00 33.50 32.86 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 2.37 -1.20 0.55 0.00 -0.78 -4.89 121.76 115.80 3kp1 s ALA 274 Ca 0.11 0.93 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 3kp1 s ALA 274 Cb 0.05 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3kp1 s ALA 274 CO 0.09 -1.47 1.92 -0.35 0.00 0.00 0.00 175.76 175.94 3kp1 n PRO 275 N -2.12 2.37 -0.08 0.00 -0.04 -1.26 -4.78 135.00 129.09 3kp1 n PRO 275 Ca 0.13 -2.67 -0.13 0.00 -0.04 0.00 0.00 63.50 60.80 3kp1 n PRO 275 Cb 0.50 -3.43 -0.05 0.00 -0.04 0.00 0.00 33.50 30.48 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 7.97 0.62 -0.63 3.54 4.64 -1.90 -2.29 113.55 125.50 3kp1 h SER 276 Ca 0.40 -0.47 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3kp1 h SER 276 Cb 0.81 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 3kp1 h SER 276 CO 1.56 0.96 0.35 0.24 -0.87 0.00 0.00 176.83 179.07 3kp1 h MET 277 N 0.30 0.64 -0.55 4.77 2.86 -1.92 0.86 114.93 121.89 3kp1 h MET 277 Ca 0.04 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3kp1 h MET 277 Cb 0.78 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3kp1 h MET 277 CO 0.06 0.43 0.15 -0.92 1.06 0.00 0.00 176.91 177.68 3kp1 h TYR 278 N 0.66 0.85 0.16 -0.22 3.20 -1.89 0.67 116.97 120.41 3kp1 h TYR 278 Ca 0.28 -0.07 -0.29 0.00 3.14 0.00 0.00 58.73 61.79 3kp1 h TYR 278 Cb 0.15 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.18 3kp1 h TYR 278 CO -0.08 0.70 -1.32 -0.07 -1.64 0.00 0.00 178.16 175.75 3kp1 h LEU 279 N 0.80 0.53 0.01 2.82 3.38 -1.18 -3.39 115.31 118.29 3kp1 h LEU 279 Ca 0.18 -0.58 -0.29 0.00 0.09 0.00 0.00 57.88 57.28 3kp1 h LEU 279 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kp1 h LEU 279 CO -0.01 1.45 -1.68 0.44 0.09 0.00 0.00 178.44 178.74 3kp1 h ASP 280 N 0.09 0.04 -0.57 -0.43 3.32 -0.67 -3.38 116.42 114.83 3kp1 h ASP 280 Ca -0.17 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 3kp1 h ASP 280 Cb 2.03 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.54 3kp1 h ASP 280 CO 0.22 1.07 0.17 0.25 -1.72 0.00 0.00 179.24 179.23 3kp1 h LEU 281 N 0.01 0.83 -0.92 1.55 5.85 -1.06 0.21 115.31 121.78 3kp1 h LEU 281 Ca -0.27 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 3kp1 h LEU 281 Cb 2.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 3kp1 h LEU 281 CO 0.09 0.82 -0.02 -0.65 -0.34 0.00 0.00 178.44 178.34 3kp1 h PRO 282 N 0.79 0.77 0.12 5.25 0.11 -1.78 -0.05 132.00 137.22 3kp1 h PRO 282 Ca 0.18 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3kp1 h PRO 282 Cb 0.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3kp1 h PRO 282 CO -0.00 0.79 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.60 3kp1 h TYR 283 N 0.72 -0.15 -0.60 0.65 3.20 -1.66 0.14 116.97 119.27 3kp1 h TYR 283 Ca 0.14 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3kp1 h TYR 283 Cb 0.47 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 3kp1 h TYR 283 CO 0.02 -0.09 0.24 0.00 -1.64 0.00 0.00 178.16 176.70 3kp1 h ALA 284 N 0.71 0.78 -0.15 1.82 0.00 -0.63 -1.25 119.26 120.54 3kp1 h ALA 284 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kp1 h ALA 284 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kp1 h ALA 284 CO 0.03 -0.16 0.07 0.28 0.00 0.00 0.00 179.25 179.46 3kp1 h VAL 285 N 0.44 1.14 -0.85 0.00 2.07 -0.89 -2.74 116.25 115.43 3kp1 h VAL 285 Ca 0.30 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kp1 h VAL 285 Cb 0.34 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3kp1 h VAL 285 CO -0.28 0.13 0.55 0.00 0.02 0.00 0.00 177.57 177.99 3kp1 h ALA 286 N 0.92 1.11 -0.02 1.67 0.00 -0.41 -1.36 119.26 121.18 3kp1 h ALA 286 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kp1 h ALA 286 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kp1 h ALA 286 CO -0.01 0.39 0.01 1.25 0.00 0.00 0.00 179.25 180.90 3kp1 h LEU 287 N 1.07 0.02 -1.43 0.00 5.85 -1.22 -0.10 115.31 119.51 3kp1 h LEU 287 Ca 0.34 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3kp1 h LEU 287 Cb -0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3kp1 h LEU 287 CO -0.11 0.13 -0.29 0.03 -0.34 0.00 0.00 178.44 177.86 3kp1 h ARG 288 N -0.09 0.00 -0.04 1.25 3.08 -1.16 0.14 114.38 117.56 3kp1 h ARG 288 Ca 0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3kp1 h ARG 288 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kp1 h ARG 288 CO -0.00 0.29 -0.24 0.93 -1.07 0.00 0.00 179.97 179.88 3kp1 h GLU 289 N 0.00 0.23 -0.24 0.04 5.08 -1.05 -2.70 114.58 115.94 3kp1 h GLU 289 Ca -0.00 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3kp1 h GLU 289 Cb 0.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3kp1 h GLU 289 CO 0.04 0.86 -0.16 1.98 -1.00 0.00 0.00 179.01 180.73 3kp1 h MET 290 N -0.33 0.40 -0.59 2.33 4.05 -0.72 -3.16 114.93 116.91 3kp1 h MET 290 Ca -0.02 -0.12 -0.30 0.00 -0.28 0.00 0.00 59.70 58.98 3kp1 h MET 290 Cb 0.92 -0.04 -0.18 0.00 -0.80 0.00 0.00 31.60 31.49 3kp1 h MET 290 CO 0.05 0.56 0.19 1.19 0.23 0.00 0.00 176.91 179.12 3kp1 n PHE 291 N -4.20 1.82 -1.69 1.39 3.72 0.45 -5.02 117.46 113.93 3kp1 n PHE 291 Ca 0.00 -1.69 -0.44 0.00 -0.05 0.00 0.00 57.45 55.27 3kp1 n PHE 291 Cb 0.33 -0.66 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.12 2.18 0.00 -1.08 1.02 -1.02 -1.58 120.64 119.04 3kp1 n GLU 292 Ca 0.43 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 3kp1 n GLU 292 Cb 1.27 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 2.09 2.73 3.94 0.62 0.00 -1.26 -5.06 105.19 108.24 3kp1 n GLY 293 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3kp1 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kp1 s TYR 294 N -2.78 3.05 0.17 1.61 2.02 -0.62 -4.37 117.35 116.43 3kp1 s TYR 294 Ca 0.00 0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 3kp1 s TYR 294 Cb 0.00 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 3kp1 s TYR 294 CO 0.00 -0.99 0.40 1.03 -1.57 0.00 0.00 175.55 174.42 3kp1 s ARG 295 N -4.99 3.59 -0.25 -0.62 1.81 -0.21 -5.01 118.95 113.27 3kp1 s ARG 295 Ca 0.56 -0.14 -0.05 0.00 -1.72 0.00 0.00 55.73 54.38 3kp1 s ARG 295 Cb -0.10 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 3kp1 s ARG 295 CO 0.43 0.42 0.00 -1.64 -0.68 0.00 0.00 175.30 173.83 3kp1 s MET 296 N -2.93 3.17 -0.51 3.54 -1.94 -1.26 -0.90 119.30 118.47 3kp1 s MET 296 Ca 0.41 -0.77 -0.13 0.00 -1.71 0.00 0.00 55.69 53.48 3kp1 s MET 296 Cb -0.12 -3.15 0.12 0.00 2.01 0.00 0.00 34.83 33.69 3kp1 s MET 296 CO 0.26 -0.33 0.43 0.50 -0.01 0.00 0.00 175.02 175.88 3kp1 s ARG 297 N 1.46 2.79 0.31 2.03 3.00 0.68 -0.84 118.95 128.39 3kp1 s ARG 297 Ca 0.03 -1.71 -0.28 0.00 -1.00 0.00 0.00 55.73 52.78 3kp1 s ARG 297 Cb -0.16 -4.14 -0.09 0.00 0.00 0.00 0.00 34.95 30.55 3kp1 s ARG 297 CO -0.01 -1.26 1.10 0.00 0.00 0.00 0.00 175.30 175.13 3kp1 s ALA 298 N 1.51 3.32 0.08 6.12 0.00 -0.02 -1.11 121.76 131.66 3kp1 s ALA 298 Ca 0.04 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3kp1 s ALA 298 Cb -0.28 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3kp1 s ALA 298 CO 0.02 -0.21 -0.09 -1.14 0.00 0.00 0.00 175.76 174.33 3kp1 s GLN 299 N -1.73 0.75 0.58 0.00 2.00 -0.86 -0.64 119.66 119.76 3kp1 s GLN 299 Ca 0.48 -1.04 -0.06 0.00 -2.00 0.00 0.00 55.36 52.74 3kp1 s GLN 299 Cb -0.30 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.05 3kp1 s GLN 299 CO 0.38 0.07 0.89 -1.64 -0.50 0.00 0.00 175.29 174.50 3kp1 s MET 300 N -2.45 2.98 0.20 1.67 -1.94 -1.26 -4.21 119.30 114.28 3kp1 s MET 300 Ca 0.01 0.02 -0.33 0.00 -1.71 0.00 0.00 55.69 53.68 3kp1 s MET 300 Cb -0.05 -2.28 -0.13 0.00 2.01 0.00 0.00 34.83 34.38 3kp1 s MET 300 CO -0.00 -0.66 1.63 -1.71 -0.01 0.00 0.00 175.02 174.27 3kp1 n ASN 301 N -2.56 3.51 0.00 3.03 5.15 -1.26 -4.90 115.26 118.23 3kp1 n ASN 301 Ca 0.04 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 3kp1 n ASN 301 Cb 0.57 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 3kp1 n ASN 301 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3kp1 n THR 302 N 3.43 0.00 0.01 -0.44 -2.24 -1.26 -4.89 114.28 108.90 3kp1 n THR 302 Ca 0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3kp1 n THR 302 Cb 0.32 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.08 -2.60 -0.78 3.64 -1.96 -3.29 116.57 111.67 3kp1 h LYS 303 Ca 0.00 -0.01 -0.74 0.00 -1.27 0.00 0.00 60.65 58.63 3kp1 h LYS 303 Cb 0.44 -0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 31.92 3kp1 h LYS 303 CO 0.00 0.06 0.38 0.66 -2.27 0.00 0.00 179.45 178.28 3kp1 n TYR 304 N -5.04 2.77 -3.98 1.91 4.01 -1.26 -4.96 117.16 110.61 3kp1 n TYR 304 Ca -0.06 -3.06 -0.09 0.00 -0.16 0.00 0.00 57.90 54.53 3kp1 n TYR 304 Cb 0.03 -1.02 -0.10 0.00 -0.31 0.00 0.00 39.34 37.94 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 -2.97 0.47 0.00 -0.72 1.75 -1.24 -4.87 119.30 111.71 3kp1 s MET 305 Ca 0.35 -0.77 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 3kp1 s MET 305 Cb 0.11 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.95 3kp1 s MET 305 CO 0.03 -0.10 0.00 0.39 -0.65 0.00 0.00 175.02 174.70 3kp1 n GLU 306 N 1.03 1.86 -0.02 4.11 -0.58 -1.26 -4.97 120.64 120.82 3kp1 n GLU 306 Ca -0.20 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.66 3kp1 n GLU 306 Cb 0.57 0.00 0.33 0.00 -0.57 0.00 0.00 31.44 31.77 3kp1 n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kp1 n ALA 307 N -3.00 2.52 -2.61 0.62 0.00 -1.26 -4.06 120.51 112.72 3kp1 n ALA 307 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 3kp1 n ALA 307 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 3kp1 n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kp1 s SER 308 N -1.94 6.56 0.30 0.00 0.15 -1.26 -4.77 113.70 112.74 3kp1 s SER 308 Ca 0.34 0.54 0.07 0.00 0.70 0.00 0.00 55.95 57.60 3kp1 s SER 308 Cb 0.20 -2.35 0.46 0.00 -1.71 0.00 0.00 66.02 62.62 3kp1 s SER 308 CO 0.31 -0.50 1.70 0.71 1.20 0.00 0.00 173.24 176.67 3kp1 h THR 309 N 5.53 1.31 -0.20 6.45 1.35 -1.89 -2.10 112.91 123.36 3kp1 h THR 309 Ca -0.26 -1.54 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3kp1 h THR 309 Cb 1.11 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 3kp1 h THR 309 CO 0.82 0.46 0.11 -0.09 -0.25 0.00 0.00 175.52 176.57 3kp1 h ARG 310 N 0.18 0.28 -0.68 4.72 2.43 -1.92 -1.36 114.38 118.03 3kp1 h ARG 310 Ca 0.02 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3kp1 h ARG 310 Cb 0.82 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3kp1 h ARG 310 CO 0.06 0.26 0.25 1.49 -1.51 0.00 0.00 179.97 180.53 3kp1 h GLU 311 N 0.23 1.04 -0.23 0.20 4.81 -1.93 -1.73 114.58 116.96 3kp1 h GLU 311 Ca 0.07 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3kp1 h GLU 311 Cb 0.06 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kp1 h GLU 311 CO -0.01 0.87 0.14 0.00 -0.73 0.00 0.00 179.01 179.28 3kp1 h ALA 312 N 1.11 0.29 -0.57 2.92 0.00 -1.21 -2.59 119.26 119.22 3kp1 h ALA 312 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3kp1 h ALA 312 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kp1 h ALA 312 CO -0.01 -0.21 0.33 1.15 0.00 0.00 0.00 179.25 180.50 3kp1 h THR 313 N 0.29 1.02 -0.26 0.00 2.02 -0.95 -0.79 112.91 114.25 3kp1 h THR 313 Ca 0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3kp1 h THR 313 Cb -0.00 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3kp1 h THR 313 CO -0.02 0.12 0.14 0.58 0.37 0.00 0.00 175.52 176.71 3kp1 h VAL 314 N 0.63 1.12 -0.99 3.16 2.07 -1.19 -1.34 116.25 119.72 3kp1 h VAL 314 Ca 0.24 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3kp1 h VAL 314 Cb 0.08 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3kp1 h VAL 314 CO -0.13 0.12 0.65 0.74 0.02 0.00 0.00 177.57 178.98 3kp1 h THR 315 N 0.30 1.20 -0.60 2.57 2.02 -1.28 -2.24 112.91 114.88 3kp1 h THR 315 Ca 0.09 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 3kp1 h THR 315 Cb 0.07 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.26 3kp1 h THR 315 CO -0.01 0.23 0.24 0.45 0.37 0.00 0.00 175.52 176.80 3kp1 h HIS 316 N 1.28 0.87 -0.73 3.16 3.86 -0.64 -0.40 115.15 122.55 3kp1 h HIS 316 Ca 0.38 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3kp1 h HIS 316 Cb -0.05 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.12 3kp1 h HIS 316 CO -0.00 0.67 0.35 0.28 0.86 0.00 0.00 177.93 180.09 3kp1 h VAL 317 N 0.86 1.24 -0.62 2.45 2.07 -0.69 -0.61 116.25 120.95 3kp1 h VAL 317 Ca 0.20 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3kp1 h VAL 317 Cb 0.16 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3kp1 h VAL 317 CO -0.02 0.28 0.26 -0.07 0.02 0.00 0.00 177.57 178.04 3kp1 h LEU 318 N 1.02 0.81 -0.78 2.57 3.38 -0.86 -0.28 115.31 121.16 3kp1 h LEU 318 Ca 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kp1 h LEU 318 Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kp1 h LEU 318 CO -0.03 0.71 0.43 0.78 0.09 0.00 0.00 178.44 180.42 3kp1 h ASN 319 N 0.88 0.98 -0.20 -0.43 -0.26 -0.53 -1.48 115.58 114.55 3kp1 h ASN 319 Ca 0.21 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 3kp1 h ASN 319 Cb 0.14 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 3kp1 h ASN 319 CO -0.02 0.80 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.98 3kp1 h LEU 320 N 1.09 0.54 -0.64 1.61 3.38 -0.44 -1.97 115.31 118.87 3kp1 h LEU 320 Ca 0.28 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3kp1 h LEU 320 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kp1 h LEU 320 CO -0.04 0.67 -0.03 0.25 0.09 0.00 0.00 178.44 179.38 3kp1 h LEU 321 N 0.52 1.01 -0.55 1.67 5.85 -0.61 -0.49 115.31 122.71 3kp1 h LEU 321 Ca 0.10 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3kp1 h LEU 321 Cb 0.48 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3kp1 h LEU 321 CO 0.03 1.08 0.30 0.40 -0.34 0.00 0.00 178.44 179.90 3kp1 h ILE 322 N 0.93 0.98 -0.42 4.05 1.08 -0.79 -0.12 117.51 123.23 3kp1 h ILE 322 Ca 0.16 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3kp1 h ILE 322 Cb 0.58 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 3kp1 h ILE 322 CO 0.03 0.10 0.23 0.28 -0.69 0.00 0.00 178.15 178.10 3kp1 h SER 323 N 0.57 0.35 -0.60 1.72 0.02 -0.87 -2.16 113.55 112.57 3kp1 h SER 323 Ca 0.24 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3kp1 h SER 323 Cb 0.13 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3kp1 h SER 323 CO -0.15 0.25 0.07 0.50 -1.14 0.00 0.00 176.83 176.36 3kp1 h LYS 324 N 0.45 1.04 0.00 3.45 1.63 -0.64 -0.83 116.57 121.68 3kp1 h LYS 324 Ca 0.17 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3kp1 h LYS 324 Cb 0.05 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3kp1 h LYS 324 CO -0.10 0.98 0.00 -0.07 -3.45 0.00 0.00 179.45 176.80 3kp1 h LEU 325 N 0.97 0.00 0.00 5.20 3.38 -0.87 -3.43 115.31 120.56 3kp1 h LEU 325 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kp1 h LEU 325 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kp1 h LEU 325 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3kp1 n THR 326 N -2.72 0.00 -3.55 0.22 -2.24 -0.83 -4.93 114.28 100.24 3kp1 n THR 326 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3kp1 n THR 326 Cb 0.30 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 3kp1 n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kp1 s ARG 327 N 0.77 0.37 -0.13 -0.78 3.52 -0.36 -5.02 118.95 117.31 3kp1 s ARG 327 Ca 0.00 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.34 3kp1 s ARG 327 Cb 0.00 0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.70 3kp1 s ARG 327 CO 0.00 -0.10 -0.02 0.00 -0.81 0.00 0.00 175.30 174.37 3kp1 s ALA 328 N 1.89 1.12 0.06 6.12 0.00 -1.25 -4.84 121.76 124.85 3kp1 s ALA 328 Ca -0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 3kp1 s ALA 328 Cb -0.05 -0.97 -0.22 0.00 0.00 0.00 0.00 23.12 21.88 3kp1 s ALA 328 CO -0.16 -0.68 1.19 -0.44 0.00 0.00 0.00 175.76 175.67 3kp1 h ASP 329 N 8.22 0.84 -3.53 0.00 3.32 -1.38 -3.43 116.42 120.46 3kp1 h ASP 329 Ca -0.22 -0.72 -0.68 0.00 0.02 0.00 0.00 57.03 55.42 3kp1 h ASP 329 Cb 1.12 -0.26 -0.32 0.00 0.22 0.00 0.00 39.33 40.09 3kp1 h ASP 329 CO 0.35 1.45 -0.87 -0.63 -1.72 0.00 0.00 179.24 177.81 3kp1 s ILE 330 N -3.37 2.13 -0.39 0.35 1.01 -0.81 -2.58 121.20 117.54 3kp1 s ILE 330 Ca -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 3kp1 s ILE 330 Cb 0.06 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.82 3kp1 s ILE 330 CO 0.90 0.56 0.18 -1.58 0.00 0.00 0.00 174.94 175.00 3kp1 s GLN 331 N 0.19 2.26 0.61 2.79 2.00 0.65 -0.84 119.66 127.32 3kp1 s GLN 331 Ca -0.14 -1.61 -0.11 0.00 -2.00 0.00 0.00 55.36 51.50 3kp1 s GLN 331 Cb -0.17 -3.56 -0.04 0.00 0.80 0.00 0.00 33.01 30.04 3kp1 s GLN 331 CO 0.07 -0.95 1.02 -1.12 -0.50 0.00 0.00 175.29 173.81 3kp1 s SER 332 N 1.81 6.23 0.13 6.67 0.01 0.19 -2.04 113.70 126.70 3kp1 s SER 332 Ca 0.04 1.40 0.06 0.00 1.31 0.00 0.00 55.95 58.76 3kp1 s SER 332 Cb -0.22 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 3kp1 s SER 332 CO -0.02 -0.86 -0.13 0.42 0.41 0.00 0.00 173.24 173.06 3kp1 s THR 333 N -3.16 1.33 -0.06 1.44 -4.23 -1.14 -4.13 115.64 105.69 3kp1 s THR 333 Ca 0.55 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3kp1 s THR 333 Cb -0.11 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.11 3kp1 s THR 333 CO 0.54 -0.48 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.29 3kp1 s ILE 334 N -2.39 1.78 0.28 2.99 -1.09 -1.26 -4.60 121.20 116.91 3kp1 s ILE 334 Ca 0.11 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 3kp1 s ILE 334 Cb -0.03 -1.53 -0.10 0.00 -1.58 0.00 0.00 42.46 39.22 3kp1 s ILE 334 CO 0.03 0.50 1.24 0.42 -1.23 0.00 0.00 174.94 175.90 3kp1 s THR 335 N 0.04 3.08 -0.77 2.92 -4.23 -1.26 -4.78 115.64 110.64 3kp1 s THR 335 Ca -0.07 1.03 0.16 0.00 -1.18 0.00 0.00 61.69 61.63 3kp1 s THR 335 Cb -0.14 -3.66 0.15 0.00 1.34 0.00 0.00 72.50 70.20 3kp1 s THR 335 CO 0.04 0.22 1.50 -2.65 -0.54 0.00 0.00 174.62 173.19 3kp1 n PRO 336 N 1.40 0.07 -0.00 3.99 -0.02 -1.26 -1.40 135.00 137.78 3kp1 n PRO 336 Ca 0.01 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3kp1 n PRO 336 Cb 0.43 -1.66 0.49 0.00 -0.02 0.00 0.00 33.50 32.74 3kp1 n PRO 336 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kp1 n ASP 337 N -1.80 1.63 0.15 2.55 5.75 -1.26 -4.16 116.55 119.40 3kp1 n ASP 337 Ca 0.02 -1.55 0.16 0.00 -0.01 0.00 0.00 54.79 53.41 3kp1 n ASP 337 Cb 0.16 -0.01 0.73 0.00 -1.03 0.00 0.00 41.12 40.97 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 2.53 0.00 -0.27 0.11 4.22 -1.43 0.28 114.58 120.02 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 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3kp1 h GLU 338 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 3kp1 n GLY 339 N -1.53 0.67 0.01 1.92 0.00 -1.26 -4.30 105.19 100.70 3kp1 n GLY 339 Ca 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.59 0.17 -3.61 1.61 0.63 0.89 -4.24 116.66 112.70 3kp1 n ARG 340 Ca 0.16 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 57.03 3kp1 n ARG 340 Cb 0.37 -1.05 -0.02 0.00 0.45 0.00 0.00 32.46 32.21 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 -4.23 -0.33 0.33 6.15 4.22 -0.72 -4.94 114.94 115.41 3kp1 s ASN 341 Ca -0.04 -0.21 -0.29 0.00 -2.14 0.00 0.00 52.86 50.19 3kp1 s ASN 341 Cb 0.01 0.50 -0.11 0.00 1.28 0.00 0.00 41.25 42.93 3kp1 s ASN 341 CO 0.06 -0.87 1.54 0.52 -2.04 0.00 0.00 177.10 176.31 3kp1 n VAL 342 N -0.37 1.48 -1.85 3.54 0.31 -1.26 -4.37 118.33 115.81 3kp1 n VAL 342 Ca -0.09 -0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 3kp1 n VAL 342 Cb 0.62 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.59 3kp1 n VAL 342 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3kp1 s PRO 343 N -1.24 4.16 0.26 5.55 0.02 -1.26 -5.00 135.00 137.49 3kp1 s PRO 343 Ca 0.59 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 64.09 3kp1 s PRO 343 Cb -0.49 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 30.94 3kp1 s PRO 343 CO 0.56 -0.56 0.49 -1.58 -0.33 0.00 0.00 177.00 175.58 3kp1 s TRP 344 N -0.18 3.48 0.24 6.54 0.51 -1.26 -4.86 118.94 123.40 3kp1 s TRP 344 Ca 0.61 0.48 -0.16 0.00 -2.12 0.00 0.00 56.10 54.90 3kp1 s TRP 344 Cb -0.46 -1.97 0.26 0.00 -0.81 0.00 0.00 33.47 30.49 3kp1 s TRP 344 CO 0.49 0.25 1.55 0.45 -0.51 0.00 0.00 176.95 179.18 3kp1 h HIS 345 N 1.69 -1.02 0.00 -1.98 3.86 -1.50 -0.87 115.15 115.33 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 0.59 -0.00 0.00 1.06 0.00 0.00 27.41 30.25 3kp1 h HIS 345 CO 0.56 -0.41 -0.12 -0.84 0.86 0.00 0.00 177.93 177.98 3kp1 h ILE 346 N -0.00 0.37 0.00 2.45 3.07 -1.95 -2.64 117.51 118.81 3kp1 h ILE 346 Ca 0.36 -0.68 -0.03 0.00 1.55 0.00 0.00 64.86 66.06 3kp1 h ILE 346 Cb 0.61 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3kp1 h ILE 346 CO -0.99 0.11 -1.03 1.88 -1.05 0.00 0.00 178.15 177.07 3kp1 h TYR 347 N 0.00 0.00 -0.73 0.16 0.05 -1.57 -1.26 116.97 113.63 3kp1 h TYR 347 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3kp1 h TYR 347 Cb 0.49 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 3kp1 h TYR 347 CO 0.00 0.10 0.21 -0.91 -1.05 0.00 0.00 178.16 176.51 3kp1 h ASN 348 N 0.00 1.08 -0.36 3.88 4.21 -1.10 -2.51 115.58 120.78 3kp1 h ASN 348 Ca -0.03 -0.22 -0.12 0.00 1.21 0.00 0.00 56.30 57.15 3kp1 h ASN 348 Cb 1.10 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 3kp1 h ASN 348 CO 0.01 1.01 -0.23 0.40 -1.29 0.00 0.00 177.43 177.33 3kp1 h ILE 349 N 1.09 1.29 -0.66 2.81 5.03 -1.43 -1.90 117.51 123.74 3kp1 h ILE 349 Ca 0.23 -1.38 0.09 0.00 -0.12 0.00 0.00 64.86 63.69 3kp1 h ILE 349 Cb 0.33 1.39 -0.07 0.00 -3.03 0.00 0.00 36.82 35.44 3kp1 h ILE 349 CO -0.00 0.46 0.29 -0.33 -0.68 0.00 0.00 178.15 177.88 3kp1 h GLU 350 N 0.58 0.48 -0.61 2.37 5.08 -1.22 -0.57 114.58 120.70 3kp1 h GLU 350 Ca 0.07 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3kp1 h GLU 350 Cb 0.80 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3kp1 h GLU 350 CO 0.06 0.32 0.26 0.00 -1.00 0.00 0.00 179.01 178.66 3kp1 h ALA 351 N 1.43 0.79 -0.40 3.43 0.00 -1.24 0.13 119.26 123.39 3kp1 h ALA 351 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kp1 h ALA 351 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kp1 h ALA 351 CO -0.29 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.51 3kp1 h ASP 353 N 0.51 0.56 -0.16 0.00 3.32 -0.88 -2.25 116.42 117.53 3kp1 h ASP 353 Ca 0.14 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3kp1 h ASP 353 Cb 0.19 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kp1 h ASP 353 CO -0.01 0.58 0.04 0.74 -1.72 0.00 0.00 179.24 178.87 3kp1 h THR 354 N 0.52 0.94 -0.24 0.35 2.02 -0.69 0.33 112.91 116.13 3kp1 h THR 354 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3kp1 h THR 354 Cb 0.19 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kp1 h THR 354 CO -0.01 0.02 0.14 0.00 0.37 0.00 0.00 175.52 176.04 3kp1 h ALA 355 N 1.11 0.31 0.01 6.16 0.00 -1.26 -1.02 119.26 124.57 3kp1 h ALA 355 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kp1 h ALA 355 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 355 CO -0.09 -0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 178.77 3kp1 h LYS 356 N 0.29 -0.02 -0.07 0.00 3.64 -1.29 -1.69 116.57 117.43 3kp1 h LYS 356 Ca 0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kp1 h LYS 356 Cb 0.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3kp1 h LYS 356 CO -0.01 0.03 -0.06 0.37 -2.27 0.00 0.00 179.45 177.51 3kp1 h GLN 357 N -0.06 -0.06 -0.44 1.90 4.15 -0.14 -0.92 115.11 119.54 3kp1 h GLN 357 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3kp1 h GLN 357 Cb 0.05 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3kp1 h GLN 357 CO 0.00 -0.04 -0.13 0.00 -1.93 0.00 0.00 178.83 176.73 3kp1 h ALA 358 N 1.00 0.60 -0.61 3.38 0.00 -1.19 -0.31 119.26 122.13 3kp1 h ALA 358 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3kp1 h ALA 358 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 358 CO -0.12 0.51 0.09 -0.07 0.00 0.00 0.00 179.25 179.66 3kp1 h LEU 359 N 0.69 0.97 -0.40 0.00 3.38 -1.19 -1.56 115.31 117.20 3kp1 h LEU 359 Ca 0.11 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kp1 h LEU 359 Cb 0.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kp1 h LEU 359 CO 0.05 0.99 0.01 0.40 0.09 0.00 0.00 178.44 179.99 3kp1 h ILE 360 N 0.92 1.26 -0.44 1.22 1.08 -1.08 -1.87 117.51 118.59 3kp1 h ILE 360 Ca 0.18 -0.98 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 3kp1 h ILE 360 Cb 0.44 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 3kp1 h ILE 360 CO 0.01 0.33 0.30 1.23 -0.69 0.00 0.00 178.15 179.34 3kp1 h GLY 361 N 0.53 0.25 -1.86 5.37 0.00 -0.83 -0.34 103.07 106.20 3kp1 h GLY 361 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3kp1 h GLY 361 CO 0.02 0.05 0.00 1.03 0.00 0.00 0.00 176.54 177.64 3kp1 n MET 362 N -4.45 2.17 -1.66 4.80 2.81 -0.61 -4.97 117.12 115.22 3kp1 n MET 362 Ca 0.07 -1.82 -0.47 0.00 -1.81 0.00 0.00 57.70 53.67 3kp1 n MET 362 Cb 0.38 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.45 3kp1 n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kp1 n ASP 363 N 0.98 2.86 0.00 7.83 2.03 -0.14 -0.87 116.55 129.24 3kp1 n ASP 363 Ca 0.17 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.57 3kp1 n ASP 363 Cb 0.43 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 3kp1 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 364 N 3.28 0.31 0.25 0.27 0.00 -1.26 -4.89 105.19 103.14 3kp1 n GLY 364 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.07 0.00 0.99 5.85 -1.38 -1.92 115.31 118.92 3kp1 h LEU 365 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kp1 h LEU 365 Cb 0.38 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kp1 h LEU 365 CO 0.00 0.02 0.00 0.23 -0.34 0.00 0.00 178.44 178.35 3kp1 n MET 366 N -5.10 0.90 0.02 1.25 2.81 -1.26 -1.19 117.12 114.55 3kp1 n MET 366 Ca 0.11 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.13 3kp1 n MET 366 Cb 0.37 -1.38 0.35 0.00 -0.71 0.00 0.00 33.22 31.84 3kp1 n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kp1 n ASP 367 N -0.88 0.43 0.00 7.83 8.00 -0.72 -4.25 116.55 126.96 3kp1 n ASP 367 Ca 0.16 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3kp1 n ASP 367 Cb 0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.69 4.42 -4.27 -1.24 2.81 -0.33 -5.04 117.12 111.78 3kp1 n MET 368 Ca 0.05 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.75 3kp1 n MET 368 Cb 0.37 -0.55 -0.13 0.00 -0.71 0.00 0.00 33.22 32.20 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 -1.06 1.17 0.05 2.03 1.01 -0.58 -5.14 120.40 117.88 3kp1 s VAL 369 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 3kp1 s VAL 369 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3kp1 s VAL 369 CO 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 175.10 175.02 3kp1 s GLN 370 N -1.47 0.63 0.29 2.72 -2.07 -1.26 -4.47 119.66 114.04 3kp1 s GLN 370 Ca 0.00 -1.11 -0.29 0.00 -1.82 0.00 0.00 55.36 52.14 3kp1 s GLN 370 Cb -0.09 0.23 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 3kp1 s GLN 370 CO 0.02 -0.14 1.13 -0.51 -1.32 0.00 0.00 175.29 174.47 3kp1 s LEU 371 N -2.78 4.53 -1.34 2.60 1.43 -1.26 -4.94 118.68 116.91 3kp1 s LEU 371 Ca 0.05 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.34 3kp1 s LEU 371 Cb 0.06 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.73 3kp1 s LEU 371 CO -0.09 -0.21 1.90 0.29 0.23 0.00 0.00 176.35 178.47 3kp1 n LYS 372 N 1.12 3.17 0.24 1.70 5.02 -1.26 -4.83 118.16 123.31 3kp1 n LYS 372 Ca -0.01 -3.16 0.16 0.00 -2.02 0.00 0.00 58.31 53.29 3kp1 n LYS 372 Cb 0.44 -3.26 0.79 0.00 -0.02 0.00 0.00 35.03 32.98 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 6.64 0.00 -6.19 1.97 9.65 -1.98 -3.40 114.38 121.07 3kp1 h ARG 373 Ca 0.47 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.84 3kp1 h ARG 373 Cb 0.75 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.28 3kp1 h ARG 373 CO 1.61 0.00 -0.48 -2.00 2.80 0.00 0.00 179.97 181.91 3kp1 s GLU 374 N -3.72 2.73 0.52 0.20 2.12 -1.26 -2.66 118.70 116.63 3kp1 s GLU 374 Ca -0.01 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.06 3kp1 s GLU 374 Cb 0.10 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 32.02 3kp1 s GLU 374 CO 0.38 0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 3kp1 n GLY 375 N -1.30 -1.19 0.35 -1.50 0.00 -1.26 -4.60 105.19 95.69 3kp1 n GLY 375 Ca -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3kp1 n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kp1 h VAL 376 N 0.00 1.06 0.13 1.61 3.04 -1.93 -2.47 116.25 117.69 3kp1 h VAL 376 Ca 0.00 -0.37 0.01 0.00 -1.01 0.00 0.00 66.70 65.33 3kp1 h VAL 376 Cb 0.00 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.14 3kp1 h VAL 376 CO 0.00 0.20 -0.22 0.25 -1.01 0.00 0.00 177.57 176.79 3kp1 h LEU 377 N 1.08 -0.62 -0.91 3.16 5.85 -1.81 -0.87 115.31 121.20 3kp1 h LEU 377 Ca 0.41 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.25 3kp1 h LEU 377 Cb 0.18 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3kp1 h LEU 377 CO -0.18 -0.31 0.58 1.23 -0.34 0.00 0.00 178.44 179.42 3kp1 h GLY 378 N -0.43 1.35 1.04 3.75 0.00 -1.24 -0.76 103.07 106.78 3kp1 h GLY 378 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3kp1 h GLY 378 CO -0.11 0.34 -0.14 -0.55 0.00 0.00 0.00 176.54 176.08 3kp1 h ASP 379 N 1.09 0.91 -0.34 0.19 3.32 -1.13 -2.15 116.42 118.31 3kp1 h ASP 379 Ca 0.38 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3kp1 h ASP 379 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3kp1 h ASP 379 CO -0.15 1.07 -0.23 0.74 -1.72 0.00 0.00 179.24 178.96 3kp1 h THR 380 N 0.73 1.27 -0.27 0.35 2.02 -0.86 -2.03 112.91 114.12 3kp1 h THR 380 Ca 0.11 -1.36 0.01 0.00 0.77 0.00 0.00 66.41 65.95 3kp1 h THR 380 Cb 0.69 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3kp1 h THR 380 CO 0.05 0.46 0.14 0.58 0.37 0.00 0.00 175.52 177.12 3kp1 h VAL 381 N 0.72 1.01 -0.50 3.16 2.07 -1.04 -1.36 116.25 120.31 3kp1 h VAL 381 Ca 0.10 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kp1 h VAL 381 Cb 0.76 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3kp1 h VAL 381 CO 0.06 0.06 0.26 -0.09 0.02 0.00 0.00 177.57 177.88 3kp1 h ARG 382 N 0.30 0.71 -0.80 1.57 9.65 -1.29 -2.36 114.38 122.17 3kp1 h ARG 382 Ca 0.11 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3kp1 h ARG 382 Cb 0.02 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 3kp1 h ARG 382 CO -0.07 0.57 0.48 1.49 2.80 0.00 0.00 179.97 185.24 3kp1 h GLU 383 N 0.67 1.09 -0.72 0.20 4.81 -0.99 -1.57 114.58 118.07 3kp1 h GLU 383 Ca 0.18 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3kp1 h GLU 383 Cb 0.08 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3kp1 h GLU 383 CO -0.03 0.78 0.38 -0.07 -0.73 0.00 0.00 179.01 179.34 3kp1 h LEU 384 N 1.10 0.91 -1.00 1.64 3.38 -1.04 -1.31 115.31 118.99 3kp1 h LEU 384 Ca 0.29 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3kp1 h LEU 384 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3kp1 h LEU 384 CO -0.05 0.76 -0.03 0.11 0.09 0.00 0.00 178.44 179.32 3kp1 h LYS 385 N 1.00 0.69 -0.48 1.13 1.57 -0.93 -2.24 116.57 117.29 3kp1 h LYS 385 Ca 0.25 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3kp1 h LYS 385 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3kp1 h LYS 385 CO -0.04 0.72 -0.12 0.93 -0.57 0.00 0.00 179.45 180.37 3kp1 h GLU 386 N 0.64 0.94 -0.64 3.15 5.08 -0.90 -0.74 114.58 122.10 3kp1 h GLU 386 Ca 0.13 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3kp1 h GLU 386 Cb 0.44 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3kp1 h GLU 386 CO 0.02 1.02 0.34 0.00 -1.00 0.00 0.00 179.01 179.40 3kp1 h ARG 387 N 0.79 0.88 -0.34 2.33 3.08 -1.03 -0.01 114.38 120.07 3kp1 h ARG 387 Ca 0.12 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 3kp1 h ARG 387 Cb 0.68 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kp1 h ARG 387 CO 0.05 0.65 -0.46 0.00 -1.07 0.00 0.00 179.97 179.15 3kp1 h ALA 388 N 1.49 0.52 -0.18 0.04 0.00 -1.11 -2.09 119.26 117.93 3kp1 h ALA 388 Ca 0.23 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kp1 h ALA 388 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kp1 h ALA 388 CO -0.04 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.28 3kp1 h VAL 389 N 0.72 1.07 -0.95 0.00 2.07 -0.68 -2.11 116.25 116.37 3kp1 h VAL 389 Ca 0.04 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3kp1 h VAL 389 Cb 1.06 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3kp1 h VAL 389 CO 0.11 0.07 0.62 -0.07 0.02 0.00 0.00 177.57 178.32 3kp1 h LEU 390 N 0.22 1.02 -0.23 2.57 3.38 -0.96 -0.58 115.31 120.73 3kp1 h LEU 390 Ca 0.06 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kp1 h LEU 390 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kp1 h LEU 390 CO -0.01 0.68 0.12 0.15 0.09 0.00 0.00 178.44 179.47 3kp1 h PHE 391 N 1.17 0.22 -0.74 1.13 -0.00 -1.14 -0.61 116.94 116.98 3kp1 h PHE 391 Ca 0.39 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.36 3kp1 h PHE 391 Cb 0.06 -0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 35.90 3kp1 h PHE 391 CO -0.00 0.13 0.44 0.52 -0.00 0.00 0.00 178.31 179.40 3kp1 h MET 392 N 0.25 1.01 -0.84 1.11 2.86 -0.80 -2.02 114.93 116.50 3kp1 h MET 392 Ca 0.09 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3kp1 h MET 392 Cb 0.01 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 3kp1 h MET 392 CO -0.06 0.72 0.55 0.93 1.06 0.00 0.00 176.91 180.12 3kp1 h GLU 393 N 1.02 1.07 -0.47 1.72 5.08 -0.63 -2.32 114.58 120.05 3kp1 h GLU 393 Ca 0.27 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3kp1 h GLU 393 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3kp1 h GLU 393 CO -0.05 0.71 -0.19 1.49 -1.00 0.00 0.00 179.01 179.96 3kp1 h GLU 394 N 1.10 0.93 -0.54 2.33 4.81 -0.72 -0.85 114.58 121.65 3kp1 h GLU 394 Ca 0.32 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3kp1 h GLU 394 Cb -0.07 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 3kp1 h GLU 394 CO -0.09 1.04 0.22 0.82 -0.73 0.00 0.00 179.01 180.27 3kp1 h ILE 395 N 0.81 0.85 -0.14 2.32 2.04 -1.07 0.35 117.51 122.68 3kp1 h ILE 395 Ca 0.11 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3kp1 h ILE 395 Cb 0.75 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3kp1 h ILE 395 CO 0.06 0.08 0.07 0.40 0.00 0.00 0.00 178.15 178.75 3kp1 h ILE 396 N 0.42 1.12 -0.68 -0.67 2.04 -1.21 0.55 117.51 119.07 3kp1 h ILE 396 Ca 0.26 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3kp1 h ILE 396 Cb 0.25 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3kp1 h ILE 396 CO -0.24 0.11 0.45 -0.08 0.00 0.00 0.00 178.15 178.39 3kp1 h GLU 397 N 0.10 0.67 0.00 2.37 4.81 -0.56 0.45 114.58 122.42 3kp1 h GLU 397 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kp1 h GLU 397 Cb 0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3kp1 h GLU 397 CO -0.01 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 3kp1 n ALA 398 N -2.46 1.83 0.00 2.92 0.00 0.12 -4.85 120.51 118.06 3kp1 n ALA 398 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kp1 n ALA 398 Cb 0.23 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3kp1 n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 399 N 0.33 1.01 0.00 0.00 0.00 0.15 -4.69 105.19 101.99 3kp1 n GLY 399 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.96 0.32 0.21 -0.02 0.00 0.16 -4.72 105.19 99.18 3kp1 n GLY 400 Ca 0.00 -2.31 -0.15 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.44 -0.76 1.61 3.20 -1.96 -1.80 116.97 116.82 3kp1 h TYR 401 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3kp1 h TYR 401 Cb 0.00 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3kp1 h TYR 401 CO 0.00 -0.27 0.45 0.74 -1.64 0.00 0.00 178.16 177.43 3kp1 h PHE 402 N -0.48 0.82 -0.32 -3.82 0.04 -1.96 -1.02 116.94 110.20 3kp1 h PHE 402 Ca -0.05 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3kp1 h PHE 402 Cb 0.37 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3kp1 h PHE 402 CO -0.05 0.40 0.07 -0.91 -0.60 0.00 0.00 178.31 177.22 3kp1 h ASN 403 N 0.81 0.48 -0.89 2.17 2.35 -1.81 -0.72 115.58 117.98 3kp1 h ASN 403 Ca 0.34 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3kp1 h ASN 403 Cb 0.19 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3kp1 h ASN 403 CO -0.18 0.60 0.58 0.00 -1.65 0.00 0.00 177.43 176.77 3kp1 h ALA 404 N 0.91 1.15 -0.31 -0.83 0.00 -0.80 0.59 119.26 119.97 3kp1 h ALA 404 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 404 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 404 CO 0.00 0.47 0.01 0.28 0.00 0.00 0.00 179.25 180.01 3kp1 h VAL 405 N 1.15 1.25 -0.23 0.00 2.07 -1.02 -1.72 116.25 117.75 3kp1 h VAL 405 Ca 0.34 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3kp1 h VAL 405 Cb -0.06 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3kp1 h VAL 405 CO -0.10 0.30 0.16 -0.33 0.02 0.00 0.00 177.57 177.62 3kp1 h GLU 406 N 0.34 0.13 -0.34 1.57 5.08 -0.50 -1.20 114.58 119.66 3kp1 h GLU 406 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kp1 h GLU 406 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kp1 h GLU 406 CO 0.01 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 179.15 3kp1 n GLN 407 N -4.49 1.81 -2.00 2.33 6.02 0.14 -4.60 117.38 116.59 3kp1 n GLN 407 Ca 0.02 -1.26 -0.09 0.00 -0.01 0.00 0.00 57.00 55.66 3kp1 n GLN 407 Cb 0.22 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 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 1.06 0.20 0.28 1.08 0.00 -0.46 -4.91 105.19 102.45 3kp1 n GLY 408 Ca 0.12 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kp1 h PHE 409 N 0.00 0.00 -2.93 1.61 -1.00 -1.52 -3.38 116.94 109.71 3kp1 h PHE 409 Ca -0.22 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.96 3kp1 h PHE 409 Cb 1.06 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.55 3kp1 h PHE 409 CO 0.25 0.07 -0.56 -0.06 -1.61 0.00 0.00 178.31 176.40 3kp1 s PHE 410 N -4.38 3.28 -1.76 -0.55 0.08 -1.26 -4.36 117.98 109.03 3kp1 s PHE 410 Ca -0.04 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.10 3kp1 s PHE 410 Cb 0.14 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 3kp1 s PHE 410 CO 0.57 0.53 0.00 0.28 -0.10 0.00 0.00 175.22 176.50 3kp1 n VAL 411 N 0.10 -0.54 -3.07 -0.44 0.31 -1.26 -1.04 118.33 112.38 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 -2.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 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 -2.41 7.23 0.00 4.52 2.15 -1.26 -4.00 116.67 122.90 3kp1 s ASP 412 Ca 0.00 1.50 0.31 0.00 0.43 0.00 0.00 52.55 54.80 3kp1 s ASP 412 Cb 0.00 -2.45 1.71 0.00 -0.30 0.00 0.00 42.92 41.88 3kp1 s ASP 412 CO 0.00 0.17 2.14 -1.54 -0.17 0.00 0.00 175.17 175.77 3kp1 n SER 413 N 1.35 0.02 -4.79 -0.34 3.41 -1.26 -4.87 113.62 107.14 3kp1 n SER 413 Ca -0.06 -0.60 -0.32 0.00 -0.26 0.00 0.00 58.87 57.63 3kp1 n SER 413 Cb 0.50 -0.13 0.05 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 -2.27 1.90 -0.67 5.00 0.00 -1.26 -4.76 107.32 105.26 3kp1 s GLY 414 Ca 0.39 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 3kp1 s GLY 414 CO 0.41 0.65 0.97 -0.47 0.00 0.00 0.00 173.10 174.67 3kp1 s TYR 415 N -2.69 2.67 0.22 1.90 5.04 -1.25 -4.72 117.35 118.52 3kp1 s TYR 415 Ca 0.62 -0.56 -0.31 0.00 -2.44 0.00 0.00 57.07 54.38 3kp1 s TYR 415 Cb -0.17 -4.30 -0.14 0.00 0.35 0.00 0.00 41.96 37.70 3kp1 s TYR 415 CO 0.47 -1.66 1.23 0.98 -1.34 0.00 0.00 175.55 175.24 3kp1 n TYR 416 N 7.72 1.64 0.97 4.97 9.36 -1.26 -1.40 117.16 139.16 3kp1 n TYR 416 Ca -0.03 0.59 0.11 0.00 3.32 0.00 0.00 57.90 61.89 3kp1 n TYR 416 Cb 0.46 -2.34 0.55 0.00 -0.63 0.00 0.00 39.34 37.37 3kp1 n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kp1 n PRO 417 N 1.63 0.18 -1.67 2.98 -0.05 -1.26 -4.92 135.00 131.90 3kp1 n PRO 417 Ca 0.12 0.08 -0.46 0.00 -0.05 0.00 0.00 63.50 63.19 3kp1 n PRO 417 Cb 0.29 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.20 3kp1 n PRO 417 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3kp1 n GLU 418 N -1.38 2.09 -3.91 0.54 2.13 -0.49 -4.99 120.64 114.62 3kp1 n GLU 418 Ca 0.09 0.75 -0.28 0.00 0.66 0.00 0.00 57.16 58.38 3kp1 n GLU 418 Cb 0.23 -2.50 -0.16 0.00 0.27 0.00 0.00 31.44 29.27 3kp1 n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kp1 s ARG 419 N 0.72 1.54 0.10 5.31 3.52 -1.26 -3.88 118.95 125.00 3kp1 s ARG 419 Ca 0.78 -0.50 0.25 0.00 -0.13 0.00 0.00 55.73 56.13 3kp1 s ARG 419 Cb -0.69 -1.98 0.60 0.00 -1.56 0.00 0.00 34.95 31.33 3kp1 s ARG 419 CO 0.40 -0.40 1.53 0.09 -0.81 0.00 0.00 175.30 176.11 3kp1 n ASN 420 N 4.86 0.59 -0.10 -2.12 3.02 -1.26 -4.95 115.26 115.30 3kp1 n ASN 420 Ca -0.12 0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.63 3kp1 n ASN 420 Cb 0.48 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 1.38 0.36 0.19 7.41 0.00 -1.26 -4.94 105.19 108.33 3kp1 n GLY 421 Ca 0.05 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 1.82 2.50 -4.43 1.61 5.68 -1.26 -5.06 116.55 117.42 3kp1 n ASP 422 Ca -0.01 -2.82 -0.29 0.00 -0.50 0.00 0.00 54.79 51.17 3kp1 n ASP 422 Cb 0.39 -0.35 0.16 0.00 -1.14 0.00 0.00 41.12 40.18 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 -2.30 1.64 -0.34 6.12 0.00 -1.26 -4.69 107.32 106.49 3kp1 s GLY 423 Ca 0.27 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.99 3kp1 s GLY 423 CO 0.04 -0.15 0.51 -0.42 0.00 0.00 0.00 173.10 173.08 3kp1 s ILE 424 N -3.44 5.02 -0.17 0.90 -1.09 -0.21 -4.90 121.20 117.30 3kp1 s ILE 424 Ca 0.68 0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 59.31 3kp1 s ILE 424 Cb -0.10 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3kp1 s ILE 424 CO 0.53 -0.19 0.45 0.00 -1.23 0.00 0.00 174.94 174.50 3kp1 s ALA 425 N 2.38 3.53 0.08 9.38 0.00 -1.26 -4.53 121.76 131.33 3kp1 s ALA 425 Ca 0.19 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3kp1 s ALA 425 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3kp1 s ALA 425 CO 0.13 -0.22 0.03 1.03 0.00 0.00 0.00 175.76 176.73 3kp1 s ARG 426 N 1.13 2.69 -0.04 0.00 1.81 -1.20 -4.99 118.95 118.35 3kp1 s ARG 426 Ca 0.22 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.31 3kp1 s ARG 426 Cb -0.15 -2.62 -0.05 0.00 -0.45 0.00 0.00 34.95 31.68 3kp1 s ARG 426 CO 0.09 0.56 0.42 -0.65 -0.68 0.00 0.00 175.30 175.04 3kp1 s GLN 427 N -2.28 4.06 0.52 3.54 1.11 -1.26 -3.56 119.66 121.78 3kp1 s GLN 427 Ca 0.27 0.41 0.16 0.00 0.01 0.00 0.00 55.36 56.21 3kp1 s GLN 427 Cb -0.12 -3.29 1.26 0.00 -1.01 0.00 0.00 33.01 29.85 3kp1 s GLN 427 CO 0.19 0.52 2.15 0.97 0.01 0.00 0.00 175.29 179.13 3kp1 h ILE 428 N 4.02 1.00 -0.38 1.08 2.10 -1.98 -0.21 117.51 123.13 3kp1 h ILE 428 Ca -0.48 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.45 3kp1 h ILE 428 Cb 1.21 0.98 -0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3kp1 h ILE 428 CO 0.66 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.28 3kp1 n ASN 429 N -4.54 4.58 -2.74 2.19 6.94 -1.26 -4.63 115.26 115.80 3kp1 n ASN 429 Ca -0.03 -3.00 -0.11 0.00 -0.02 0.00 0.00 54.58 51.42 3kp1 n ASN 429 Cb 0.09 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.10 3.92 0.06 4.83 0.00 -0.09 -4.79 105.19 109.02 3kp1 n GLY 430 Ca 0.24 -2.18 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 2.32 -1.62 3.73 -0.02 0.00 -1.26 -4.00 105.19 104.34 3kp1 n GLY 431 Ca -0.06 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3kp1 n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kp1 s ILE 432 N -1.54 3.29 0.00 -0.61 -1.09 -0.06 -2.23 121.20 118.96 3kp1 s ILE 432 Ca 0.00 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 3kp1 s ILE 432 Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3kp1 s ILE 432 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 3kp1 n GLY 433 N 2.55 0.57 3.73 6.18 0.00 -1.26 -0.64 105.19 116.32 3kp1 n GLY 433 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kp1 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 n ALA 434 N 0.83 1.85 -1.77 4.61 0.00 -0.95 -2.37 120.51 122.71 3kp1 n ALA 434 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 3kp1 n ALA 434 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 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 1.20 0.50 0.65 0.00 0.00 -1.26 -4.92 105.19 101.37 3kp1 n GLY 435 Ca 0.06 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3kp1 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp1 n THR 436 N -3.42 2.18 -3.71 2.61 -2.24 -1.00 -4.99 114.28 103.71 3kp1 n THR 436 Ca -0.11 -2.07 -0.35 0.00 -2.27 0.00 0.00 64.05 59.25 3kp1 n THR 436 Cb 0.46 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.88 5.39 -0.08 2.28 1.01 -1.26 -5.03 120.40 119.82 3kp1 s VAL 437 Ca 0.39 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3kp1 s VAL 437 Cb 0.33 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3kp1 s VAL 437 CO 0.06 0.41 -0.20 -0.36 0.00 0.00 0.00 175.10 175.01 3kp1 s PHE 438 N 0.55 2.20 0.38 5.22 0.08 -1.26 -5.11 117.98 120.03 3kp1 s PHE 438 Ca 0.08 -0.86 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 3kp1 s PHE 438 Cb -0.12 -1.49 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 3kp1 s PHE 438 CO -0.00 -0.35 1.39 -2.00 -0.10 0.00 0.00 175.22 174.15 3kp1 s GLU 439 N 0.39 4.08 -0.03 0.44 2.12 -1.26 -4.97 118.70 119.46 3kp1 s GLU 439 Ca -0.16 2.36 -0.28 0.00 0.36 0.00 0.00 54.97 57.25 3kp1 s GLU 439 Cb -0.17 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3kp1 s GLU 439 CO 0.07 -0.48 0.90 1.03 -0.54 0.00 0.00 175.26 176.24 3kp1 s ARG 440 N -2.10 4.51 0.86 4.30 0.52 -1.26 -5.06 118.95 120.73 3kp1 s ARG 440 Ca 0.54 1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 56.89 3kp1 s ARG 440 Cb -0.42 -3.46 0.11 0.00 0.52 0.00 0.00 34.95 31.69 3kp1 s ARG 440 CO 0.56 -0.04 1.14 -0.51 0.02 0.00 0.00 175.30 176.47 3kp1 s ASP 441 N 0.96 3.95 0.54 0.23 1.01 -1.26 -4.92 116.67 117.17 3kp1 s ASP 441 Ca 0.47 1.00 0.21 0.00 0.71 0.00 0.00 52.55 54.94 3kp1 s ASP 441 Cb -0.20 -1.60 1.40 0.00 1.01 0.00 0.00 42.92 43.54 3kp1 s ASP 441 CO 0.24 -2.28 2.12 -0.08 0.21 0.00 0.00 175.17 175.39 3kp1 h GLU 442 N -1.31 0.00 -0.41 8.23 4.22 -2.02 -1.67 114.58 121.62 3kp1 h GLU 442 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.95 3kp1 h GLU 442 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3kp1 h GLU 442 CO 0.62 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.05 3kp1 n ASP 443 N -4.35 4.66 -4.69 1.04 5.75 -1.26 -4.76 116.55 112.94 3kp1 n ASP 443 Ca 0.00 -2.93 -0.43 0.00 -0.01 0.00 0.00 54.79 51.42 3kp1 n ASP 443 Cb 0.23 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.70 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 0.05 2.31 -3.87 2.11 9.36 -0.63 -4.83 117.16 121.65 3kp1 n TYR 444 Ca 0.24 0.46 -0.11 0.00 3.32 0.00 0.00 57.90 61.81 3kp1 n TYR 444 Cb 1.01 -2.46 -0.11 0.00 -0.63 0.00 0.00 39.34 37.15 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 -1.07 0.33 -0.13 2.98 -2.45 -1.26 -0.93 119.30 116.77 3kp1 s MET 445 Ca 0.62 -0.21 -0.02 0.00 -1.25 0.00 0.00 55.69 54.83 3kp1 s MET 445 Cb -0.59 0.14 0.04 0.00 1.25 0.00 0.00 34.83 35.66 3kp1 s MET 445 CO 0.55 -0.07 0.02 0.00 1.05 0.00 0.00 175.02 176.57 3kp1 s ALA 446 N -0.84 0.81 -0.29 4.11 0.00 -1.26 -4.99 121.76 119.30 3kp1 s ALA 446 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3kp1 s ALA 446 Cb -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.17 3kp1 s ALA 446 CO 0.01 -0.77 2.66 -0.35 0.00 0.00 0.00 175.76 177.30 3kp1 n PRO 447 N 5.11 2.04 -4.20 0.00 -0.05 -1.26 -4.86 135.00 131.77 3kp1 n PRO 447 Ca -0.08 -1.67 -0.13 0.00 -0.05 0.00 0.00 63.50 61.58 3kp1 n PRO 447 Cb 0.49 -1.87 -0.10 0.00 -0.05 0.00 0.00 33.50 31.97 3kp1 n PRO 447 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3kp1 s VAL 448 N -1.45 0.92 0.56 0.52 -7.23 -1.26 -3.63 120.40 108.83 3kp1 s VAL 448 Ca 0.48 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 3kp1 s VAL 448 Cb 0.30 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 3kp1 s VAL 448 CO -0.10 -0.78 1.04 -0.89 -0.31 0.00 0.00 175.10 174.06 3kp1 s THR 449 N -3.35 3.92 -1.10 5.32 2.01 -1.26 -4.21 115.64 116.97 3kp1 s THR 449 Ca 0.13 0.96 -0.07 0.00 0.31 0.00 0.00 61.69 63.02 3kp1 s THR 449 Cb 0.03 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.10 3kp1 s THR 449 CO -0.02 -0.49 0.96 0.00 -0.69 0.00 0.00 174.62 174.38 3kp1 n ALA 450 N -1.78 -1.13 -2.78 7.40 0.00 -1.26 -5.00 120.51 115.95 3kp1 n ALA 450 Ca 0.08 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 3kp1 n ALA 450 Cb 0.53 -4.38 -0.09 0.00 0.00 0.00 0.00 19.45 15.51 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 -3.27 3.36 -0.09 0.00 5.04 -1.26 -4.28 115.29 114.79 3kp1 s HIS 451 Ca 0.44 0.24 -0.21 0.00 -1.54 0.00 0.00 55.06 53.99 3kp1 s HIS 451 Cb -0.19 -2.09 -0.28 0.00 0.04 0.00 0.00 32.58 30.05 3kp1 s HIS 451 CO 0.60 0.29 0.70 0.35 -2.34 0.00 0.00 174.74 174.34 3kp1 h PHE 452 N 6.46 0.39 -3.38 3.88 3.57 -1.89 -3.49 116.94 122.48 3kp1 h PHE 452 Ca -0.41 -0.28 -0.24 0.00 3.53 0.00 0.00 57.97 60.57 3kp1 h PHE 452 Cb 1.17 -0.02 0.08 0.00 2.79 0.00 0.00 35.95 39.97 3kp1 h PHE 452 CO 0.59 1.37 0.18 0.41 -2.23 0.00 0.00 178.31 178.64 3kp1 n GLY 453 N 1.67 -0.80 3.63 2.40 0.00 -1.26 -4.95 105.19 105.87 3kp1 n GLY 453 Ca -0.19 -1.77 -0.50 0.00 0.00 0.00 0.00 46.02 43.56 3kp1 n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kp1 n TYR 454 N -2.78 1.85 -3.55 1.61 9.36 -1.26 -4.96 117.16 117.42 3kp1 n TYR 454 Ca 0.09 0.48 -0.25 0.00 3.32 0.00 0.00 57.90 61.54 3kp1 n TYR 454 Cb 0.31 -2.43 -0.15 0.00 -0.63 0.00 0.00 39.34 36.44 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 0.90 2.40 -1.04 2.98 2.47 -1.26 -4.81 114.94 116.58 3kp1 s ASN 455 Ca 0.83 -0.71 -0.19 0.00 0.42 0.00 0.00 52.86 53.21 3kp1 s ASN 455 Cb -0.85 -0.09 0.11 0.00 -1.45 0.00 0.00 41.25 38.97 3kp1 s ASN 455 CO 0.45 -0.37 1.33 0.21 -3.72 0.00 0.00 177.10 174.99 3kp1 s ASN 456 N 2.18 6.68 -0.05 -4.21 3.84 -0.11 -4.68 114.94 118.60 3kp1 s ASN 456 Ca 0.05 -2.07 0.07 0.00 0.21 0.00 0.00 52.86 51.13 3kp1 s ASN 456 Cb -0.16 -2.47 -0.24 0.00 -0.55 0.00 0.00 41.25 37.84 3kp1 s ASN 456 CO -0.18 -1.15 0.62 0.58 -2.79 0.00 0.00 177.10 174.18 3kp1 h VAL 457 N 5.90 0.83 -0.84 -5.21 2.07 -1.93 -3.38 116.25 113.69 3kp1 h VAL 457 Ca 0.22 -2.64 0.23 0.00 0.82 0.00 0.00 66.70 65.33 3kp1 h VAL 457 Cb 0.98 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 3kp1 h VAL 457 CO 1.26 0.60 0.60 0.50 0.02 0.00 0.00 177.57 180.55 3kp1 h LYS 458 N 0.02 0.08 -0.00 1.57 3.64 -1.83 0.17 116.57 120.21 3kp1 h LYS 458 Ca -0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3kp1 h LYS 458 Cb 2.01 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.82 3kp1 h LYS 458 CO 0.09 0.05 0.01 -0.56 -2.27 0.00 0.00 179.45 176.77 3kp1 h GLN 459 N 0.08 0.00 0.00 1.90 3.07 -1.97 -3.22 115.11 114.96 3kp1 h GLN 459 Ca 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.96 3kp1 h GLN 459 Cb 1.50 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.03 3kp1 h GLN 459 CO -0.04 0.00 -1.59 0.66 0.09 0.00 0.00 178.83 177.95 3kp1 n TYR 460 N -3.15 0.00 -3.30 0.06 4.01 0.44 -5.01 117.16 110.20 3kp1 n TYR 460 Ca -0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 3kp1 n TYR 460 Cb 0.08 -0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 3kp1 n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kp1 s ASP 461 N -6.13 0.37 0.49 7.72 -1.08 -0.31 -5.00 116.67 112.72 3kp1 s ASP 461 Ca -0.17 -0.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.72 3kp1 s ASP 461 Cb 0.06 1.11 1.34 0.00 -1.46 0.00 0.00 42.92 43.97 3kp1 s ASP 461 CO 0.22 -0.35 1.84 1.05 0.52 0.00 0.00 175.17 178.45 3kp1 h GLU 462 N 8.13 0.16 0.00 4.34 9.09 -1.78 0.17 114.58 134.69 3kp1 h GLU 462 Ca -0.08 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3kp1 h GLU 462 Cb 1.12 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3kp1 h GLU 462 CO 0.26 0.10 0.00 0.00 0.05 0.00 0.00 179.01 179.42 3kp1 n ALA 463 N -2.64 1.96 -0.49 1.06 0.00 -1.26 -3.41 120.51 115.73 3kp1 n ALA 463 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3kp1 n ALA 463 Cb 0.95 -1.34 0.24 0.00 0.00 0.00 0.00 19.45 19.30 3kp1 n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kp1 n LEU 464 N -1.48 3.65 -0.02 0.00 4.77 0.60 -4.55 117.00 119.97 3kp1 n LEU 464 Ca 0.05 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 3kp1 n LEU 464 Cb 0.24 -0.40 0.31 0.00 -2.33 0.00 0.00 43.42 41.23 3kp1 n LEU 464 CO 0.19 0.75 0.99 0.58 -1.33 0.00 0.00 177.39 178.58 3kp1 h VAL 465 N 2.59 1.18 0.00 4.08 2.07 -1.66 -1.89 116.25 122.63 3kp1 h VAL 465 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kp1 h VAL 465 Cb 1.09 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3kp1 h VAL 465 CO 0.11 0.24 0.00 0.77 0.02 0.00 0.00 177.57 178.70 3kp1 h SER 466 N 0.56 0.00 -1.86 0.57 4.64 -1.87 -3.38 113.55 112.21 3kp1 h SER 466 Ca 0.13 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.96 3kp1 h SER 466 Cb 0.23 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.99 3kp1 h SER 466 CO -0.00 0.00 -0.91 -0.62 -0.87 0.00 0.00 176.83 174.43 3kp1 n GLU 467 N -2.63 0.44 0.31 4.77 -0.58 -0.73 -5.00 120.64 117.22 3kp1 n GLU 467 Ca 0.04 -2.91 0.19 0.00 -0.42 0.00 0.00 57.16 54.06 3kp1 n GLU 467 Cb 0.43 -1.49 1.04 0.00 -0.57 0.00 0.00 31.44 30.86 3kp1 n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kp1 h PRO 468 N 4.91 0.00 0.00 3.49 0.11 -1.70 -1.97 132.00 136.84 3kp1 h PRO 468 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kp1 h PRO 468 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kp1 h PRO 468 CO 0.35 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.80 3kp1 h SER 469 N 0.00 0.00 0.12 -2.05 4.64 -1.76 -2.56 113.55 111.93 3kp1 h SER 469 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3kp1 h SER 469 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3kp1 h SER 469 CO -0.00 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 176.00 3kp1 h LYS 470 N 0.00 0.00 -0.48 4.77 1.57 -1.64 0.20 116.57 120.99 3kp1 h LYS 470 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3kp1 h LYS 470 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3kp1 h LYS 470 CO 0.00 0.07 0.37 -0.07 -0.57 0.00 0.00 179.45 179.25 3kp1 h LEU 471 N 0.00 0.00 -2.97 2.94 -0.00 -1.69 -2.21 115.31 111.38 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 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.81 3kp1 h LEU 471 CO 0.01 0.00 -0.08 2.30 -0.00 0.00 0.00 178.44 180.67 3kp1 n ILE 472 N -4.26 1.88 -3.59 1.22 -5.35 -0.75 -4.98 119.36 103.53 3kp1 n ILE 472 Ca 0.09 -2.34 -0.24 0.00 -0.27 0.00 0.00 62.75 59.99 3kp1 n ILE 472 Cb 0.58 -0.22 0.08 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.35 -6.23 0.00 7.28 8.00 -0.83 -4.81 116.55 118.61 3kp1 n ASP 473 Ca 0.16 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3kp1 n ASP 473 Cb 0.65 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 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 -1.98 1.04 1.57 0.44 0.00 0.63 -4.95 105.19 101.94 3kp1 n GLY 474 Ca -0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.14 0.00 0.00 0.00 1.35 -1.94 0.22 112.91 112.40 3kp1 h THR 476 Ca -0.12 -0.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 3kp1 h THR 476 Cb 0.50 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3kp1 h THR 476 CO 0.15 0.00 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.13 3kp1 h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.97 -3.27 115.31 117.32 3kp1 h LEU 477 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3kp1 h LEU 477 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3kp1 h LEU 477 CO 0.00 0.22 -2.15 -0.62 0.09 0.00 0.00 178.44 175.98 3kp1 n GLU 478 N -3.21 1.25 -3.72 1.13 4.71 -0.25 -4.86 120.64 115.69 3kp1 n GLU 478 Ca 0.02 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.16 56.88 3kp1 n GLU 478 Cb 0.56 -1.43 -0.12 0.00 -1.01 0.00 0.00 31.44 29.44 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 -2.42 1.82 0.63 2.62 1.01 0.62 -4.97 120.40 119.70 3kp1 s VAL 479 Ca -0.08 -3.36 0.41 0.00 0.00 0.00 0.00 61.98 58.95 3kp1 s VAL 479 Cb 0.05 -2.23 0.43 0.00 0.00 0.00 0.00 36.38 34.63 3kp1 s VAL 479 CO 0.69 -1.03 2.34 -0.65 0.00 0.00 0.00 175.10 176.45 3kp1 h PRO 480 N 5.86 0.00 0.00 2.72 0.11 -1.82 -1.24 132.00 137.63 3kp1 h PRO 480 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kp1 h PRO 480 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kp1 h PRO 480 CO 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 3kp1 n GLU 481 N -3.23 0.17 0.08 1.05 4.71 -1.26 -1.59 120.64 120.57 3kp1 n GLU 481 Ca -0.03 0.41 0.13 0.00 -0.01 0.00 0.00 57.16 57.65 3kp1 n GLU 481 Cb 0.08 -1.83 0.46 0.00 -1.01 0.00 0.00 31.44 29.15 3kp1 n GLU 481 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kp1 n LYS 482 N -2.15 0.16 -2.00 3.49 5.02 -0.47 -4.83 118.16 117.38 3kp1 n LYS 482 Ca 0.02 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 3kp1 n LYS 482 Cb 0.22 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.11 2.92 -0.52 -0.18 1.01 -0.62 -4.96 121.20 115.74 3kp1 s ILE 483 Ca 0.10 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.11 3kp1 s ILE 483 Cb 0.13 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 39.26 3kp1 s ILE 483 CO 0.51 0.03 0.89 -0.69 0.00 0.00 0.00 174.94 175.69 3kp1 s VAL 484 N 1.51 4.48 -0.07 2.92 1.01 -1.26 -5.03 120.40 123.95 3kp1 s VAL 484 Ca 0.69 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 3kp1 s VAL 484 Cb -0.41 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 3kp1 s VAL 484 CO 0.31 -0.99 0.67 -0.47 0.00 0.00 0.00 175.10 174.62 3kp1 s TYR 485 N 3.72 3.57 -0.12 5.22 5.04 -1.26 -5.06 117.35 128.45 3kp1 s TYR 485 Ca 0.30 1.21 0.03 0.00 -2.44 0.00 0.00 57.07 56.17 3kp1 s TYR 485 Cb -0.13 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.41 3kp1 s TYR 485 CO 0.20 0.10 -0.22 0.42 -1.34 0.00 0.00 175.55 174.71 3kp1 s ILE 486 N 0.76 2.15 -0.06 3.14 1.01 -1.26 -5.06 121.20 121.88 3kp1 s ILE 486 Ca 0.36 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3kp1 s ILE 486 Cb -0.17 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 3kp1 s ILE 486 CO 0.17 0.55 -0.01 -0.78 0.00 0.00 0.00 174.94 174.87 3kp1 h ASP 487 N 6.98 0.00 -4.42 3.58 3.58 -1.98 -3.40 116.42 120.77 3kp1 h ASP 487 Ca -0.25 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.07 3kp1 h ASP 487 Cb 1.22 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.04 3kp1 h ASP 487 CO 0.51 0.30 -0.28 -1.61 -2.88 0.00 0.00 179.24 175.28 3kp1 s GLU 488 N -1.35 0.54 -0.02 0.28 0.41 -1.26 -3.68 118.70 113.62 3kp1 s GLU 488 Ca -0.01 0.16 0.10 0.00 -0.41 0.00 0.00 54.97 54.81 3kp1 s GLU 488 Cb 0.00 0.25 -0.15 0.00 -1.78 0.00 0.00 34.13 32.45 3kp1 s GLU 488 CO 0.01 -0.12 0.21 1.28 -0.49 0.00 0.00 175.26 176.16 3kp1 n LEU 489 N 2.09 0.00 -4.33 1.80 4.77 -1.26 -4.95 117.00 115.11 3kp1 n LEU 489 Ca -0.17 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 3kp1 n LEU 489 Cb 0.57 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 3kp1 n LEU 489 CO 0.18 0.01 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.28 3kp1 s ASP 490 N -3.16 4.55 0.49 -1.43 -1.08 -1.26 -4.99 116.67 109.79 3kp1 s ASP 490 Ca -0.04 -0.44 0.28 0.00 -0.52 0.00 0.00 52.55 51.83 3kp1 s ASP 490 Cb 0.06 -1.78 0.93 0.00 -1.46 0.00 0.00 42.92 40.67 3kp1 s ASP 490 CO 0.41 -0.05 1.82 -0.33 0.52 0.00 0.00 175.17 177.54 3kp1 h GLU 491 N 8.14 0.00 0.00 4.34 5.08 -2.02 -3.32 114.58 126.80 3kp1 h GLU 491 Ca -0.39 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 3kp1 h GLU 491 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3kp1 h GLU 491 CO 0.60 0.05 -1.90 0.09 -1.00 0.00 0.00 179.01 176.85 3kp1 n ASN 492 N -3.14 1.44 -4.13 1.42 5.03 -1.26 -4.78 115.26 109.84 3kp1 n ASN 492 Ca 0.02 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.09 3kp1 n ASN 492 Cb 0.41 1.14 -0.05 0.00 -1.02 0.00 0.00 39.78 40.26 3kp1 n ASN 492 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3kp1 n ASP 493 N -2.37 4.42 -3.61 6.41 2.03 -1.25 -4.87 116.55 117.31 3kp1 n ASP 493 Ca -0.17 -3.13 -0.09 0.00 0.52 0.00 0.00 54.79 51.92 3kp1 n ASP 493 Cb 0.78 -1.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 3kp1 n ASP 493 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kp1 s ASN 494 N -0.01 0.06 0.22 1.67 2.20 -1.26 -3.74 114.94 114.08 3kp1 s ASN 494 Ca 0.28 -0.99 -0.05 0.00 -0.94 0.00 0.00 52.86 51.16 3kp1 s ASN 494 Cb -0.07 0.69 0.21 0.00 -2.00 0.00 0.00 41.25 40.08 3kp1 s ASN 494 CO -0.12 -1.34 1.70 1.62 -2.94 0.00 0.00 177.10 176.02 3kp1 h VAL 495 N 2.11 1.26 -0.20 3.54 3.04 -1.94 -2.41 116.25 121.65 3kp1 h VAL 495 Ca -0.26 -1.11 0.04 0.00 -1.01 0.00 0.00 66.70 64.36 3kp1 h VAL 495 Cb 1.25 0.89 -0.04 0.00 -2.01 0.00 0.00 31.29 31.37 3kp1 h VAL 495 CO 0.34 0.39 -0.07 0.78 -1.01 0.00 0.00 177.57 178.01 3kp1 h ASN 496 N 0.83 -0.24 -0.95 3.17 2.35 -1.97 0.11 115.58 118.88 3kp1 h ASN 496 Ca 0.15 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3kp1 h ASN 496 Cb 0.53 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 3kp1 h ASN 496 CO 0.03 -0.09 0.63 0.58 -1.65 0.00 0.00 177.43 176.93 3kp1 h VAL 497 N -0.03 1.23 -0.45 2.81 2.07 -1.86 -1.67 116.25 118.36 3kp1 h VAL 497 Ca 0.10 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3kp1 h VAL 497 Cb 0.18 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3kp1 h VAL 497 CO -0.22 0.23 -0.07 0.03 0.02 0.00 0.00 177.57 177.56 3kp1 h ARG 498 N 1.28 0.84 -0.82 1.57 3.08 -0.84 -2.78 114.38 116.71 3kp1 h ARG 498 Ca 0.35 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3kp1 h ARG 498 Cb -0.13 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3kp1 h ARG 498 CO -0.08 0.93 0.39 0.52 -1.07 0.00 0.00 179.97 180.66 3kp1 h MET 499 N 0.67 1.18 -0.78 0.04 2.86 -0.59 -2.35 114.93 115.96 3kp1 h MET 499 Ca 0.12 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kp1 h MET 499 Cb 0.60 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3kp1 h MET 499 CO 0.04 0.91 0.47 1.49 1.06 0.00 0.00 176.91 180.88 3kp1 h GLU 500 N 1.16 1.05 -0.11 1.72 4.22 -1.15 -2.09 114.58 119.39 3kp1 h GLU 500 Ca 0.28 -0.09 0.03 0.00 0.08 0.00 0.00 59.36 59.66 3kp1 h GLU 500 Cb 0.12 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3kp1 h GLU 500 CO -0.03 0.74 0.09 1.49 -2.18 0.00 0.00 179.01 179.11 3kp1 h GLU 501 N 1.07 0.00 -0.03 1.92 4.22 -1.15 -2.70 114.58 117.91 3kp1 h GLU 501 Ca 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.72 3kp1 h GLU 501 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3kp1 h GLU 501 CO -0.05 0.00 -0.01 0.25 -2.18 0.00 0.00 179.01 177.02 3kp1 n THR 502 N -4.22 1.94 -0.42 0.32 -2.24 -0.82 -4.73 114.28 104.11 3kp1 n THR 502 Ca -0.00 -2.24 0.34 0.00 -2.27 0.00 0.00 64.05 59.88 3kp1 n THR 502 Cb 0.21 -0.24 0.64 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.14 0.00 -0.78 1.57 -1.12 -0.56 116.57 116.04 3kp1 h LYS 503 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kp1 h LYS 503 Cb 1.05 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kp1 h LYS 503 CO 0.03 0.10 -0.00 1.05 -0.57 0.00 0.00 179.45 180.05 3kp1 h GLU 504 N 0.15 0.00 -0.01 3.15 4.11 -1.85 -2.96 114.58 117.17 3kp1 h GLU 504 Ca 0.74 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.17 3kp1 h GLU 504 Cb 2.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.61 3kp1 h GLU 504 CO -0.30 0.00 -0.31 1.19 0.07 0.00 0.00 179.01 179.66 3kp1 n PHE 505 N -3.15 0.00 0.02 2.06 3.01 -0.22 -4.59 117.46 114.58 3kp1 n PHE 505 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 3kp1 n PHE 505 Cb 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.63 3kp1 n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kp1 n ARG 506 N -0.24 1.60 -0.99 -1.08 1.74 -1.12 -4.90 116.66 111.67 3kp1 n ARG 506 Ca 0.06 -1.34 -0.09 0.00 -0.77 0.00 0.00 57.85 55.70 3kp1 n ARG 506 Cb 0.29 -1.54 0.25 0.00 -1.02 0.00 0.00 32.46 30.44 3kp1 n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kp1 n SER 509 N -0.21 4.06 -4.79 0.55 3.41 -1.26 -5.06 113.62 110.32 3kp1 n SER 509 Ca 0.26 -3.41 -0.36 0.00 -0.26 0.00 0.00 58.87 55.10 3kp1 n SER 509 Cb 1.01 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 -3.11 4.49 -0.06 4.33 -1.94 -1.26 -0.64 119.30 121.11 3kp1 s MET 510 Ca 0.53 1.23 -0.09 0.00 -1.71 0.00 0.00 55.69 55.65 3kp1 s MET 510 Cb 0.44 -2.73 0.02 0.00 2.01 0.00 0.00 34.83 34.56 3kp1 s MET 510 CO 0.10 0.26 0.22 -1.50 -0.01 0.00 0.00 175.02 174.09 3kp1 s ILE 511 N -1.68 0.02 0.18 2.53 2.07 -0.29 -4.81 121.20 119.22 3kp1 s ILE 511 Ca 0.51 -0.18 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 3kp1 s ILE 511 Cb -0.17 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3kp1 s ILE 511 CO 0.22 -0.10 0.17 -1.59 -1.91 0.00 0.00 174.94 171.73 3kp1 s LYS 512 N -0.31 1.15 0.71 3.50 -2.85 -1.26 -1.91 119.74 118.77 3kp1 s LYS 512 Ca -0.04 -1.47 -0.11 0.00 -1.00 0.00 0.00 55.97 53.34 3kp1 s LYS 512 Cb -0.03 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.06 3kp1 s LYS 512 CO 0.01 -0.39 1.07 -1.25 0.10 0.00 0.00 175.35 174.90 3kp1 s PRO 513 N -4.09 2.73 0.08 1.78 0.04 -1.26 -4.66 135.00 129.63 3kp1 s PRO 513 Ca 0.30 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 3kp1 s PRO 513 Cb 0.06 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3kp1 s PRO 513 CO 0.07 -1.27 0.16 -1.83 0.04 0.00 0.00 177.00 174.18 3kp1 s GLU 514 N -4.83 0.81 -0.06 4.56 -1.05 -1.26 0.46 118.70 117.33 3kp1 s GLU 514 Ca 0.60 -0.97 0.05 0.00 -0.15 0.00 0.00 54.97 54.50 3kp1 s GLU 514 Cb -0.16 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.78 3kp1 s GLU 514 CO 0.52 -0.24 0.02 1.33 0.95 0.00 0.00 175.26 177.84 3kp1 n VAL 515 N 0.00 0.40 0.00 1.83 0.24 -1.26 -4.81 118.33 114.74 3kp1 n VAL 515 Ca -0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3kp1 n VAL 515 Cb 0.62 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.24 0.00 -4.80 7.34 0.28 -1.26 -1.15 120.64 118.81 3kp1 n GLU 516 Ca -0.10 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.59 3kp1 n GLU 516 Cb 0.69 -0.41 -0.13 0.00 1.43 0.00 0.00 31.44 33.02 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 2.56 -0.11 -1.84 0.51 -1.26 -4.68 118.94 113.12 3kp1 s TRP 517 Ca 0.00 -0.26 -0.40 0.00 -2.12 0.00 0.00 56.10 53.32 3kp1 s TRP 517 Cb 0.00 -1.50 -0.18 0.00 -0.81 0.00 0.00 33.47 30.98 3kp1 s TRP 517 CO 0.00 0.20 1.39 0.94 -0.51 0.00 0.00 176.95 178.97 3kp1 n GLN 518 N 1.84 0.64 -2.80 4.98 7.27 -1.26 -1.20 117.38 126.86 3kp1 n GLN 518 Ca -0.16 0.23 -0.18 0.00 0.07 0.00 0.00 57.00 56.96 3kp1 n GLN 518 Cb 0.52 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.35 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 3.06 -0.87 0.51 1.69 0.00 -1.26 -4.85 120.51 118.79 3kp1 n ALA 519 Ca 0.23 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.92 3kp1 n ALA 519 Cb 0.11 -2.43 0.44 0.00 0.00 0.00 0.00 19.45 17.57 3kp1 n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kp1 n ASP 520 N -2.11 0.45 0.00 0.00 5.68 -0.34 -4.90 116.55 115.32 3kp1 n ASP 520 Ca -0.12 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 3kp1 n ASP 520 Cb 0.61 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3kp1 n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp1 n GLY 521 N 0.31 0.54 3.75 6.12 0.00 0.17 -4.85 105.19 111.23 3kp1 n GLY 521 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kp1 n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp1 s THR 522 N -2.46 3.47 0.16 2.61 2.01 -1.25 -1.08 115.64 119.10 3kp1 s THR 522 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3kp1 s THR 522 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3kp1 s THR 522 CO 0.00 0.31 0.04 0.68 -0.69 0.00 0.00 174.62 174.96 3kp1 s VAL 523 N -0.87 0.34 -0.10 3.82 -7.23 0.02 -4.11 120.40 112.27 3kp1 s VAL 523 Ca 0.47 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3kp1 s VAL 523 Cb -0.32 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 3kp1 s VAL 523 CO 0.41 -0.42 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.42 3kp1 s LEU 524 N -3.12 2.65 -0.15 1.32 2.96 -1.26 -2.33 118.68 118.76 3kp1 s LEU 524 Ca 0.26 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3kp1 s LEU 524 Cb 0.07 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3kp1 s LEU 524 CO 0.04 0.21 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.85 3kp1 s LEU 525 N 0.05 2.08 -0.07 -0.68 2.96 -0.06 -5.00 118.68 117.97 3kp1 s LEU 525 Ca -0.06 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 3kp1 s LEU 525 Cb -0.15 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3kp1 s LEU 525 CO 0.05 0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.04 3kp1 s THR 526 N 0.95 2.50 0.10 3.68 2.01 -1.26 -0.91 115.64 122.72 3kp1 s THR 526 Ca -0.04 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 3kp1 s THR 526 Cb -0.15 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.44 3kp1 s THR 526 CO -0.05 0.57 0.44 0.00 -0.69 0.00 0.00 174.62 174.89 3kp1 s MET 527 N -0.23 1.06 -0.14 4.92 0.23 -0.53 -5.02 119.30 119.58 3kp1 s MET 527 Ca -0.01 -0.56 -0.02 0.00 -1.03 0.00 0.00 55.69 54.08 3kp1 s MET 527 Cb -0.13 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3kp1 s MET 527 CO 0.03 -0.41 -0.08 0.12 -2.03 0.00 0.00 175.02 172.65 3kp1 s PHE 528 N -3.37 2.91 -0.11 3.16 5.36 -1.26 -0.93 117.98 123.74 3kp1 s PHE 528 Ca 0.00 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 3kp1 s PHE 528 Cb 0.01 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 3kp1 s PHE 528 CO -0.09 -0.10 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.87 3kp1 s LEU 529 N 0.28 1.95 -1.29 6.12 1.43 -0.58 -4.98 118.68 121.62 3kp1 s LEU 529 Ca -0.07 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 3kp1 s LEU 529 Cb -0.15 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 3kp1 s LEU 529 CO 0.04 0.08 2.70 -0.81 0.23 0.00 0.00 176.35 178.59 3kp1 n PRO 530 N 3.91 3.04 -4.02 1.29 -0.05 -1.26 -0.95 135.00 136.96 3kp1 n PRO 530 Ca -0.20 -1.87 -0.14 0.00 -0.05 0.00 0.00 63.50 61.25 3kp1 n PRO 530 Cb 0.52 -2.63 -0.02 0.00 -0.05 0.00 0.00 33.50 31.32 3kp1 n PRO 530 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 3kp1 s THR 531 N 2.52 0.00 0.91 0.52 -1.32 -1.26 -4.70 115.64 112.31 3kp1 s THR 531 Ca 0.59 -1.45 -0.11 0.00 -1.21 0.00 0.00 61.69 59.51 3kp1 s THR 531 Cb 0.16 -2.75 0.14 0.00 -1.51 0.00 0.00 72.50 68.54 3kp1 s THR 531 CO -0.05 0.00 1.10 -0.94 -2.21 0.00 0.00 174.62 172.52 3kp1 s SER 532 N -3.21 3.18 0.19 8.08 1.04 -1.26 -3.45 113.70 118.27 3kp1 s SER 532 Ca 0.27 1.72 -0.10 0.00 0.48 0.00 0.00 55.95 58.32 3kp1 s SER 532 Cb -0.02 -2.35 0.11 0.00 0.10 0.00 0.00 66.02 63.86 3kp1 s SER 532 CO 0.19 -2.86 1.74 0.07 0.98 0.00 0.00 173.24 173.36 3kp1 h LYS 533 N -1.70 1.04 -0.15 4.02 2.10 -1.92 -0.56 116.57 119.40 3kp1 h LYS 533 Ca -0.49 -0.20 -0.11 0.00 -2.00 0.00 0.00 60.65 57.85 3kp1 h LYS 533 Cb 1.28 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3kp1 h LYS 533 CO 0.50 0.88 -0.34 -0.09 -2.00 0.00 0.00 179.45 178.40 3kp1 h ARG 534 N 0.98 0.50 -0.36 0.07 2.43 -1.99 -0.98 114.38 115.04 3kp1 h ARG 534 Ca 0.22 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3kp1 h ARG 534 Cb 0.24 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3kp1 h ARG 534 CO -0.01 0.95 -0.00 0.28 -1.51 0.00 0.00 179.97 179.67 3kp1 h VAL 535 N 0.13 1.21 -0.48 0.20 2.07 -1.92 -2.52 116.25 114.94 3kp1 h VAL 535 Ca 0.00 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 3kp1 h VAL 535 Cb 0.95 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3kp1 h VAL 535 CO 0.08 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 3kp1 h ALA 536 N 1.47 0.66 0.07 1.67 0.00 -0.89 0.55 119.26 122.78 3kp1 h ALA 536 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kp1 h ALA 536 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kp1 h ALA 536 CO 0.01 0.49 -0.12 1.49 0.00 0.00 0.00 179.25 181.12 3kp1 h GLU 537 N 0.73 -0.23 -0.32 0.00 4.81 -0.93 0.22 114.58 118.86 3kp1 h GLU 537 Ca 0.13 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3kp1 h GLU 537 Cb 0.55 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3kp1 h GLU 537 CO 0.03 -0.15 -0.30 0.74 -0.73 0.00 0.00 179.01 178.60 3kp1 h PHE 538 N -0.24 0.77 -0.64 0.92 0.04 -1.34 -1.96 116.94 114.50 3kp1 h PHE 538 Ca 0.02 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 3kp1 h PHE 538 Cb 0.25 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 3kp1 h PHE 538 CO -0.14 0.89 0.24 0.00 -0.60 0.00 0.00 178.31 178.70 3kp1 h ALA 539 N 1.10 0.84 -0.79 2.45 0.00 -0.75 -2.40 119.26 119.71 3kp1 h ALA 539 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kp1 h ALA 539 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3kp1 h ALA 539 CO 0.07 0.47 0.50 0.00 0.00 0.00 0.00 179.25 180.28 3kp1 h ALA 540 N 1.10 1.00 -0.87 0.00 0.00 -0.30 -0.90 119.26 119.28 3kp1 h ALA 540 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kp1 h ALA 540 Cb 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kp1 h ALA 540 CO -0.02 0.44 0.57 0.82 0.00 0.00 0.00 179.25 181.07 3kp1 h ILE 541 N 1.07 1.18 -0.24 0.00 1.08 -1.10 -1.86 117.51 117.65 3kp1 h ILE 541 Ca 0.29 -0.39 -0.12 0.00 -0.39 0.00 0.00 64.86 64.24 3kp1 h ILE 541 Cb -0.08 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.60 3kp1 h ILE 541 CO -0.06 0.21 -0.35 -0.33 -0.69 0.00 0.00 178.15 176.93 3kp1 h GLU 542 N 1.14 0.54 -0.88 2.37 4.39 -0.82 -2.56 114.58 118.75 3kp1 h GLU 542 Ca 0.33 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3kp1 h GLU 542 Cb -0.07 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 3kp1 h GLU 542 CO -0.09 0.82 0.54 0.74 -1.16 0.00 0.00 179.01 179.86 3kp1 h PHE 543 N 0.45 1.15 -0.09 4.33 0.04 -0.74 -2.66 116.94 119.43 3kp1 h PHE 543 Ca 0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 3kp1 h PHE 543 Cb 0.83 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3kp1 h PHE 543 CO 0.03 0.76 -0.30 0.00 -0.60 0.00 0.00 178.31 178.20 3kp1 h ALA 544 N 1.30 1.34 -0.18 2.45 0.00 -1.05 -2.33 119.26 120.78 3kp1 h ALA 544 Ca 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kp1 h ALA 544 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kp1 h ALA 544 CO -0.06 0.46 -0.00 0.87 0.00 0.00 0.00 179.25 180.52 3kp1 h LYS 545 N 0.14 0.32 0.00 0.00 1.79 -1.19 -1.33 116.57 116.30 3kp1 h LYS 545 Ca 0.02 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kp1 h LYS 545 Cb 0.61 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3kp1 h LYS 545 CO 0.04 0.53 0.00 0.87 -1.08 0.00 0.00 179.45 179.81 3kp1 h LYS 546 N 0.07 0.00 -0.54 3.15 1.79 -1.26 0.47 116.57 120.25 3kp1 h LYS 546 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3kp1 h LYS 546 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3kp1 h LYS 546 CO 0.01 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.05 3kp1 n MET 547 N -2.62 2.44 -1.32 3.15 2.81 -0.90 -4.91 117.12 115.77 3kp1 n MET 547 Ca -0.01 -1.75 -0.10 0.00 -1.81 0.00 0.00 57.70 54.04 3kp1 n MET 547 Cb 0.14 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 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 0.73 -4.16 -4.79 7.83 3.02 0.15 -5.01 115.26 113.03 3kp1 n ASN 548 Ca 0.16 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.56 3kp1 n ASN 548 Cb 0.51 -2.56 -0.06 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.27 4.56 0.35 3.41 1.43 -0.54 -4.32 118.68 121.29 3kp1 s LEU 549 Ca 0.00 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.65 3kp1 s LEU 549 Cb 0.00 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3kp1 s LEU 549 CO 0.00 0.24 0.15 -1.61 0.23 0.00 0.00 176.35 175.36 3kp1 s GLU 550 N -1.16 2.35 -1.42 1.70 2.02 0.08 -4.40 118.70 117.88 3kp1 s GLU 550 Ca 0.33 -1.58 -0.03 0.00 0.02 0.00 0.00 54.97 53.71 3kp1 s GLU 550 Cb -0.21 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.88 3kp1 s GLU 550 CO 0.23 0.08 0.55 0.39 0.02 0.00 0.00 175.26 176.52 3kp1 n GLU 551 N -1.17 -3.79 -2.45 1.61 1.02 -1.26 -0.29 120.64 114.31 3kp1 n GLU 551 Ca -0.03 0.46 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 3kp1 n GLU 551 Cb 0.62 -4.78 -0.03 0.00 -0.02 0.00 0.00 31.44 27.22 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 -3.80 3.93 -0.02 2.62 1.01 -1.26 -4.47 120.40 118.40 3kp1 s VAL 552 Ca 0.11 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.60 3kp1 s VAL 552 Cb -0.06 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kp1 s VAL 552 CO 0.87 0.18 -0.03 -1.61 0.00 0.00 0.00 175.10 174.51 3kp1 s GLU 553 N 0.41 0.42 -0.08 2.72 2.02 -0.54 -5.01 118.70 118.65 3kp1 s GLU 553 Ca 0.55 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 3kp1 s GLU 553 Cb -0.30 -0.48 -0.02 0.00 0.10 0.00 0.00 34.13 33.43 3kp1 s GLU 553 CO 0.32 -0.02 1.02 0.08 0.02 0.00 0.00 175.26 176.68 3kp1 s VAL 554 N 0.48 4.75 -0.01 2.63 1.01 -1.26 -0.96 120.40 127.04 3kp1 s VAL 554 Ca -0.05 2.01 0.01 0.00 0.00 0.00 0.00 61.98 63.94 3kp1 s VAL 554 Cb -0.08 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3kp1 s VAL 554 CO -0.01 0.04 0.02 2.30 0.00 0.00 0.00 175.10 177.45 3kp1 n ILE 555 N 4.42 0.00 -3.84 2.22 -5.35 0.38 -4.96 119.36 112.23 3kp1 n ILE 555 Ca 0.08 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3kp1 n ILE 555 Cb 0.49 0.74 -0.12 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.56 -0.11 -0.05 7.28 2.47 -1.00 -4.84 114.94 117.13 3kp1 s ASN 556 Ca -0.00 0.17 -0.01 0.00 0.42 0.00 0.00 52.86 53.44 3kp1 s ASN 556 Cb 0.00 0.28 0.03 0.00 -1.45 0.00 0.00 41.25 40.11 3kp1 s ASN 556 CO 0.02 -0.13 0.01 -0.13 -3.72 0.00 0.00 177.10 173.16 3kp1 s ARG 557 N -0.27 0.38 -0.07 0.43 0.52 -1.26 -1.31 118.95 117.37 3kp1 s ARG 557 Ca -0.04 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3kp1 s ARG 557 Cb -0.03 -0.75 0.02 0.00 0.52 0.00 0.00 34.95 34.71 3kp1 s ARG 557 CO 0.00 -0.26 -0.09 -1.21 0.02 0.00 0.00 175.30 173.76 3kp1 s GLU 558 N 1.78 1.36 -0.10 3.54 2.02 -0.48 -4.99 118.70 121.82 3kp1 s GLU 558 Ca 0.01 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 3kp1 s GLU 558 Cb -0.13 -1.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.84 3kp1 s GLU 558 CO -0.04 -0.06 1.26 0.08 0.02 0.00 0.00 175.26 176.52 3kp1 s VAL 559 N 0.94 4.20 -0.13 2.63 1.01 -1.26 -0.55 120.40 127.24 3kp1 s VAL 559 Ca -0.10 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 3kp1 s VAL 559 Cb -0.15 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3kp1 s VAL 559 CO 0.01 -0.07 0.27 0.24 0.00 0.00 0.00 175.10 175.55 3kp1 h MET 560 N 7.90 0.00 -2.75 2.72 0.00 -1.64 -3.48 114.93 117.69 3kp1 h MET 560 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.28 3kp1 h MET 560 Cb 1.14 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 32.51 3kp1 h MET 560 CO 0.93 0.45 -0.20 -1.14 0.00 0.00 0.00 176.91 176.95 3kp1 s GLN 561 N -1.95 0.61 0.29 1.72 -0.44 -1.14 -4.96 119.66 113.79 3kp1 s GLN 561 Ca -0.11 0.29 0.00 0.00 -2.50 0.00 0.00 55.36 53.04 3kp1 s GLN 561 Cb -0.00 0.29 0.68 0.00 -1.64 0.00 0.00 33.01 32.33 3kp1 s GLN 561 CO 0.33 -0.13 1.61 1.49 0.50 0.00 0.00 175.29 179.09 3kp1 h GLU 562 N 4.69 0.09 0.10 1.67 4.81 -1.92 -2.09 114.58 121.93 3kp1 h GLU 562 Ca -0.28 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.60 3kp1 h GLU 562 Cb 1.18 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3kp1 h GLU 562 CO 0.31 0.06 -1.90 0.00 -0.73 0.00 0.00 179.01 176.75 3kp1 n ALA 563 N -2.94 0.88 0.08 2.92 0.00 -1.26 -4.13 120.51 116.07 3kp1 n ALA 563 Ca 0.21 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 53.02 3kp1 n ALA 563 Cb 0.68 -0.64 0.18 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.11 0.28 0.00 0.00 4.39 -1.74 -3.39 114.58 114.00 3kp1 h GLU 564 Ca -0.42 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.13 3kp1 h GLU 564 Cb 1.91 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 3kp1 h GLU 564 CO 0.03 0.69 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 3kp1 n GLY 565 N -0.03 1.47 2.87 -3.84 0.00 -0.84 -4.08 105.19 100.73 3kp1 n GLY 565 Ca -0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 0.05 -0.09 2.61 2.01 -0.13 -1.53 115.64 116.57 3kp1 s THR 566 Ca 0.00 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 3kp1 s THR 566 Cb 0.00 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 3kp1 s THR 566 CO 0.00 0.03 0.60 -0.60 -0.69 0.00 0.00 174.62 173.97 3kp1 s ARG 567 N 0.18 4.40 -0.06 4.92 3.52 0.29 -1.53 118.95 130.66 3kp1 s ARG 567 Ca -0.01 0.70 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 3kp1 s ARG 567 Cb -0.03 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3kp1 s ARG 567 CO -0.01 0.11 -0.19 0.42 -0.81 0.00 0.00 175.30 174.83 3kp1 s ILE 568 N 0.71 1.60 -0.09 4.11 -1.09 -0.10 -1.38 121.20 124.95 3kp1 s ILE 568 Ca 0.33 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 3kp1 s ILE 568 Cb -0.17 -1.38 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 3kp1 s ILE 568 CO 0.15 0.46 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.47 3kp1 s GLU 569 N 0.15 2.92 0.07 2.79 2.02 -0.43 -1.46 118.70 124.77 3kp1 s GLU 569 Ca -0.08 -0.88 0.05 0.00 0.02 0.00 0.00 54.97 54.09 3kp1 s GLU 569 Cb -0.14 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 3kp1 s GLU 569 CO 0.04 0.25 -0.15 -0.51 0.02 0.00 0.00 175.26 174.90 3kp1 s LEU 570 N 0.18 2.28 0.19 1.80 1.02 -0.08 -0.47 118.68 123.60 3kp1 s LEU 570 Ca -0.14 -0.62 0.07 0.00 0.02 0.00 0.00 54.13 53.46 3kp1 s LEU 570 Cb -0.17 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.45 3kp1 s LEU 570 CO 0.07 -0.06 0.10 -1.59 0.02 0.00 0.00 176.35 174.89 3kp1 s LYS 571 N -1.74 2.71 -0.03 1.70 -2.85 -0.13 -0.88 119.74 118.52 3kp1 s LYS 571 Ca -0.01 -1.03 -0.30 0.00 -1.00 0.00 0.00 55.97 53.64 3kp1 s LYS 571 Cb -0.10 -2.50 0.11 0.00 -2.06 0.00 0.00 37.83 33.28 3kp1 s LYS 571 CO 0.02 0.45 0.95 0.20 0.10 0.00 0.00 175.35 177.07 3kp1 s GLY 572 N -3.26 -0.43 -0.13 0.59 0.00 -0.98 -1.46 107.32 101.64 3kp1 s GLY 572 Ca 0.30 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 46.05 3kp1 s GLY 572 CO 0.22 0.35 -0.03 -1.60 0.00 0.00 0.00 173.10 172.04 3kp1 s ARG 573 N -3.01 3.43 -0.01 2.90 3.52 0.60 -0.80 118.95 125.58 3kp1 s ARG 573 Ca 0.06 -0.49 -0.27 0.00 -0.13 0.00 0.00 55.73 54.90 3kp1 s ARG 573 Cb -0.01 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 3kp1 s ARG 573 CO -0.08 0.40 0.87 0.14 -0.81 0.00 0.00 175.30 175.82 3kp1 s VAL 574 N -0.06 4.88 -1.21 7.11 -7.23 -0.24 -0.74 120.40 122.92 3kp1 s VAL 574 Ca 0.02 1.83 0.28 0.00 -1.81 0.00 0.00 61.98 62.30 3kp1 s VAL 574 Cb -0.13 -4.21 0.25 0.00 0.56 0.00 0.00 36.38 32.85 3kp1 s VAL 574 CO 0.02 0.22 1.77 -0.81 -0.31 0.00 0.00 175.10 176.00 3kp1 n PRO 575 N 3.67 0.22 -4.44 4.82 -0.05 -1.26 -4.80 135.00 133.17 3kp1 n PRO 575 Ca 0.03 -0.07 -0.22 0.00 -0.05 0.00 0.00 63.50 63.19 3kp1 n PRO 575 Cb 0.51 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 32.36 3kp1 n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3kp1 s PHE 576 N -2.83 2.05 0.54 0.54 -0.12 -1.26 -5.16 117.98 111.75 3kp1 s PHE 576 Ca 0.18 -0.54 0.05 0.00 -0.05 0.00 0.00 56.93 56.58 3kp1 s PHE 576 Cb 0.19 -1.05 0.05 0.00 -0.63 0.00 0.00 43.02 41.58 3kp1 s PHE 576 CO 0.56 0.46 0.44 0.43 -0.05 0.00 0.00 175.22 177.06 3kp1 n SER 577 N -0.58 2.67 -4.00 1.98 7.64 -1.26 -4.89 113.62 115.17 3kp1 n SER 577 Ca -0.06 -2.83 -0.17 0.00 1.01 0.00 0.00 58.87 56.83 3kp1 n SER 577 Cb 0.62 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.60 3kp1 n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kp1 s ILE 578 N -2.67 0.57 -0.24 0.44 -1.09 -0.80 -4.97 121.20 112.44 3kp1 s ILE 578 Ca 0.33 -0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 58.17 3kp1 s ILE 578 Cb -0.03 -0.50 -0.03 0.00 -1.58 0.00 0.00 42.46 40.32 3kp1 s ILE 578 CO 0.21 0.10 0.51 -0.62 -1.23 0.00 0.00 174.94 173.90 3kp1 s ASP 579 N -0.34 6.48 0.32 3.58 -1.08 -1.26 -1.14 116.67 123.22 3kp1 s ASP 579 Ca 0.01 0.57 0.05 0.00 -0.52 0.00 0.00 52.55 52.67 3kp1 s ASP 579 Cb -0.04 -2.28 0.69 0.00 -1.46 0.00 0.00 42.92 39.84 3kp1 s ASP 579 CO -0.00 -0.23 1.85 0.40 0.52 0.00 0.00 175.17 177.71 3kp1 h ILE 580 N 5.27 0.88 0.00 4.11 1.08 -1.24 -1.54 117.51 126.07 3kp1 h ILE 580 Ca -0.31 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3kp1 h ILE 580 Cb 1.15 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 3kp1 h ILE 580 CO 0.72 0.15 -0.07 0.78 -0.69 0.00 0.00 178.15 179.05 3kp1 h ASN 581 N 0.84 0.00 -0.13 1.72 2.35 -1.93 -2.10 115.58 116.33 3kp1 h ASN 581 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3kp1 h ASN 581 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3kp1 h ASN 581 CO -0.23 0.07 0.00 -1.54 -1.65 0.00 0.00 177.43 174.08 3kp1 n SER 582 N -3.58 1.95 -4.74 5.81 3.41 -0.58 -4.91 113.62 110.98 3kp1 n SER 582 Ca -0.02 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.48 3kp1 n SER 582 Cb 0.19 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 3kp1 n SER 582 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kp1 s LEU 583 N -1.74 4.58 -0.58 1.04 1.43 -0.79 -5.00 118.68 117.61 3kp1 s LEU 583 Ca 0.34 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 3kp1 s LEU 583 Cb 0.19 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.96 3kp1 s LEU 583 CO 0.30 0.07 0.67 -0.69 0.23 0.00 0.00 176.35 176.93 3kp1 s VAL 584 N -0.68 4.87 -0.32 -1.59 1.01 -1.26 -5.02 120.40 117.40 3kp1 s VAL 584 Ca 0.43 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3kp1 s VAL 584 Cb -0.25 -4.46 0.07 0.00 0.00 0.00 0.00 36.38 31.74 3kp1 s VAL 584 CO 0.30 -1.08 0.04 -0.63 0.00 0.00 0.00 175.10 173.73 3kp1 s ILE 585 N 2.55 2.91 0.78 2.22 1.01 -1.26 -5.10 121.20 124.31 3kp1 s ILE 585 Ca 0.11 -1.63 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 3kp1 s ILE 585 Cb -0.25 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 3kp1 s ILE 585 CO 0.06 -0.27 0.17 -2.65 0.00 0.00 0.00 174.94 172.25 3kp1 n PRO 586 N 4.56 0.10 0.00 2.79 -0.02 -1.26 -5.29 135.00 135.88 3kp1 n PRO 586 Ca -0.09 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3kp1 n PRO 586 Cb 0.43 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.04 0.00 0.00 0.52 -0.02 -1.26 -5.31 135.00 128.97 3kp1 n PRO 587 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3kp1 n PRO 587 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 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 0.00 0.00 -3.86 4.25 0.13 -1.26 -5.34 119.36 113.28 3kp1 n ILE 591 Ca 0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.29 3kp1 n ILE 591 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 38.67 3kp1 n ILE 591 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3kp1 s LEU 592 N 0.00 3.38 0.76 9.51 2.96 -1.26 -5.10 118.68 128.93 3kp1 s LEU 592 Ca 0.00 -0.65 -0.12 0.00 -0.22 0.00 0.00 54.13 53.15 3kp1 s LEU 592 Cb 0.00 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.96 3kp1 s LEU 592 CO 0.00 -0.12 1.14 -0.94 -1.32 0.00 0.00 176.35 175.11 3kp1 s SER 593 N 1.45 4.94 0.28 3.68 1.04 -1.26 -4.90 113.70 118.93 3kp1 s SER 593 Ca 0.03 0.94 -0.03 0.00 0.48 0.00 0.00 55.95 57.36 3kp1 s SER 593 Cb -0.16 -1.57 0.38 0.00 0.10 0.00 0.00 66.02 64.77 3kp1 s SER 593 CO -0.01 -1.64 1.96 1.05 0.98 0.00 0.00 173.24 175.57 3kp1 h GLU 594 N -0.87 1.17 0.53 4.02 9.09 -1.99 -1.87 114.58 124.67 3kp1 h GLU 594 Ca -0.45 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 58.87 3kp1 h GLU 594 Cb 1.29 -0.26 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 3kp1 h GLU 594 CO 0.65 0.77 -0.51 -0.44 0.05 0.00 0.00 179.01 179.53 3kp1 h ASP 595 N 1.21 -1.39 -0.54 3.06 3.32 -1.99 -1.25 116.42 118.83 3kp1 h ASP 595 Ca 0.33 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.52 3kp1 h ASP 595 Cb -0.14 0.45 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3kp1 h ASP 595 CO -0.07 -0.68 0.30 -0.33 -1.72 0.00 0.00 179.24 176.74 3kp1 h GLU 596 N -1.04 0.58 -0.19 3.56 3.07 -1.91 0.18 114.58 118.83 3kp1 h GLU 596 Ca -0.07 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3kp1 h GLU 596 Cb 0.89 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 3kp1 h GLU 596 CO -0.05 0.38 -0.10 0.82 -1.40 0.00 0.00 179.01 178.67 3kp1 h ILE 597 N 0.60 0.69 -0.11 3.13 2.04 -1.23 0.17 117.51 122.80 3kp1 h ILE 597 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3kp1 h ILE 597 Cb 0.08 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3kp1 h ILE 597 CO -0.13 0.00 0.03 -0.09 0.00 0.00 0.00 178.15 177.97 3kp1 h ARG 598 N -0.08 0.17 -0.93 2.37 2.43 -0.85 -2.48 114.38 115.01 3kp1 h ARG 598 Ca 0.11 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3kp1 h ARG 598 Cb 0.24 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3kp1 h ARG 598 CO -0.24 0.33 0.62 0.93 -1.51 0.00 0.00 179.97 180.09 3kp1 h GLU 599 N -0.02 1.19 -0.42 0.20 5.08 -0.77 -0.47 114.58 119.37 3kp1 h GLU 599 Ca 0.03 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3kp1 h GLU 599 Cb 0.23 -0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 3kp1 h GLU 599 CO -0.00 0.79 -0.00 0.22 -1.00 0.00 0.00 179.01 179.02 3kp1 h ASP 600 N 1.23 -0.18 0.52 1.42 -0.00 -0.45 -1.34 116.42 117.62 3kp1 h ASP 600 Ca 0.35 0.10 -0.20 0.00 -0.00 0.00 0.00 57.03 57.28 3kp1 h ASP 600 Cb -0.08 0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 3kp1 h ASP 600 CO -0.09 -0.05 -0.87 0.40 -0.00 0.00 0.00 179.24 178.63 3kp1 h ILE 601 N 0.11 1.47 0.00 2.25 2.04 -0.89 -1.96 117.51 120.53 3kp1 h ILE 601 Ca 0.21 -2.54 -0.10 0.00 1.00 0.00 0.00 64.86 63.43 3kp1 h ILE 601 Cb 0.30 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3kp1 h ILE 601 CO -0.35 0.75 -0.47 -0.33 0.00 0.00 0.00 178.15 177.74 3kp1 h GLU 602 N 0.14 0.00 -0.04 2.37 5.08 -0.95 -2.69 114.58 118.49 3kp1 h GLU 602 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3kp1 h GLU 602 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3kp1 h GLU 602 CO 0.14 0.47 -0.20 0.87 -1.00 0.00 0.00 179.01 179.29 3kp1 h LYS 603 N 0.00 0.21 -3.79 2.33 1.57 -1.18 -3.42 116.57 112.29 3kp1 h LYS 603 Ca -0.00 -0.17 -0.59 0.00 -1.87 0.00 0.00 60.65 58.01 3kp1 h LYS 603 Cb 0.97 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.91 3kp1 h LYS 603 CO 0.06 0.82 -0.75 0.99 -0.57 0.00 0.00 179.45 180.00 3kp1 s THR 604 N -3.61 1.12 0.26 -0.16 2.01 -0.75 -5.12 115.64 109.39 3kp1 s THR 604 Ca -0.15 -1.47 -0.30 0.00 0.31 0.00 0.00 61.69 60.08 3kp1 s THR 604 Cb 0.02 -1.79 -0.14 0.00 0.01 0.00 0.00 72.50 70.61 3kp1 s THR 604 CO 0.74 -0.59 1.24 -2.65 -0.69 0.00 0.00 174.62 172.67 3kp1 n PRO 605 N 4.76 1.73 -4.09 4.92 -0.02 -1.03 -4.42 135.00 136.85 3kp1 n PRO 605 Ca -0.02 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3kp1 n PRO 605 Cb 0.43 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.03 2.58 -0.13 2.45 2.96 -1.26 -5.05 118.68 120.26 3kp1 s LEU 606 Ca 0.64 -0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3kp1 s LEU 606 Cb -0.68 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3kp1 s LEU 606 CO 0.56 -0.07 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.65 3kp1 s LYS 607 N 1.24 3.34 0.13 1.98 2.20 -1.26 -1.59 119.74 125.79 3kp1 s LYS 607 Ca -0.00 -0.64 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 3kp1 s LYS 607 Cb -0.16 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 3kp1 s LYS 607 CO -0.10 0.28 -0.17 0.96 -0.36 0.00 0.00 175.35 175.96 3kp1 s ILE 608 N 0.20 1.59 -0.12 5.43 -5.25 -0.61 0.37 121.20 122.80 3kp1 s ILE 608 Ca -0.06 -1.75 -0.01 0.00 -0.99 0.00 0.00 60.65 57.83 3kp1 s ILE 608 Cb -0.15 -1.64 -0.02 0.00 2.95 0.00 0.00 42.46 43.59 3kp1 s ILE 608 CO 0.04 -0.30 -0.08 0.68 -1.79 0.00 0.00 174.94 173.49 3kp1 s VAL 609 N -1.89 3.49 0.05 8.37 -7.23 -0.48 -1.34 120.40 121.37 3kp1 s VAL 609 Ca 0.11 -0.52 0.05 0.00 -1.81 0.00 0.00 61.98 59.81 3kp1 s VAL 609 Cb -0.06 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3kp1 s VAL 609 CO 0.05 0.53 -0.14 0.00 -0.31 0.00 0.00 175.10 175.23 3kp1 s ALA 610 N 0.09 1.14 -0.10 1.32 0.00 -0.64 -0.36 121.76 123.21 3kp1 s ALA 610 Ca -0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 3kp1 s ALA 610 Cb -0.14 -0.14 0.12 0.00 0.00 0.00 0.00 23.12 22.95 3kp1 s ALA 610 CO 0.04 0.19 0.95 0.00 0.00 0.00 0.00 175.76 176.93 3kp1 s ALA 611 N -1.01 -1.89 -0.15 0.00 0.00 -0.72 -0.99 121.76 117.00 3kp1 s ALA 611 Ca -0.00 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 3kp1 s ALA 611 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3kp1 s ALA 611 CO 0.02 -0.46 0.71 0.99 0.00 0.00 0.00 175.76 177.02 3kp1 s THR 612 N -1.87 4.99 0.33 0.00 2.01 -0.90 -1.04 115.64 119.15 3kp1 s THR 612 Ca 0.00 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.46 3kp1 s THR 612 Cb -0.01 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3kp1 s THR 612 CO -0.02 0.12 0.29 0.68 -0.69 0.00 0.00 174.62 175.01 3kp1 s VAL 613 N 1.68 3.58 0.00 3.82 -7.23 -0.91 -1.73 120.40 119.61 3kp1 s VAL 613 Ca 0.34 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3kp1 s VAL 613 Cb -0.16 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.58 3kp1 s VAL 613 CO 0.13 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 3kp1 n GLY 614 N -1.37 0.54 0.33 2.32 0.00 -0.86 -3.47 105.19 102.67 3kp1 n GLY 614 Ca -0.02 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 8.58 0.91 -1.70 1.61 1.02 -1.26 -3.53 120.64 126.27 3kp1 n GLU 615 Ca 0.00 -0.65 -0.42 0.00 -0.02 0.00 0.00 57.16 56.06 3kp1 n GLU 615 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 3kp1 n GLU 615 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3kp1 n ASP 616 N -0.47 4.07 -0.15 1.62 4.64 -1.23 -4.60 116.55 120.43 3kp1 n ASP 616 Ca 0.10 1.01 0.08 0.00 -1.38 0.00 0.00 54.79 54.60 3kp1 n ASP 616 Cb 0.40 -1.56 -0.06 0.00 -1.04 0.00 0.00 41.12 38.86 3kp1 n ASP 616 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3kp1 n GLU 617 N 5.11 1.58 -1.90 -0.67 -0.58 -1.26 -0.55 120.64 122.37 3kp1 n GLU 617 Ca 0.17 -0.32 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 3kp1 n GLU 617 Cb 0.37 -1.29 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 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 -2.35 1.69 -0.04 -0.32 3.76 -1.26 -4.83 115.29 111.94 3kp1 s HIS 618 Ca 0.09 0.45 0.14 0.00 -0.15 0.00 0.00 55.06 55.59 3kp1 s HIS 618 Cb 0.13 -4.05 -0.21 0.00 1.11 0.00 0.00 32.58 29.56 3kp1 s HIS 618 CO 0.58 -3.53 0.26 -1.13 -0.85 0.00 0.00 174.74 170.08 3kp1 n SER 619 N 9.70 1.72 -0.00 1.40 3.41 -1.26 -4.74 113.62 123.84 3kp1 n SER 619 Ca 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 3kp1 n SER 619 Cb 0.45 1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 65.86 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 0.82 -0.41 -3.33 2.07 -1.99 -2.98 116.25 110.43 3kp1 h VAL 620 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3kp1 h VAL 620 Cb 0.88 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3kp1 h VAL 620 CO 0.00 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.91 3kp1 h GLY 621 N -0.04 0.49 1.02 2.17 0.00 -2.00 0.11 103.07 104.82 3kp1 h GLY 621 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3kp1 h GLY 621 CO -0.15 -0.04 0.10 -2.00 0.00 0.00 0.00 176.54 174.46 3kp1 h LEU 622 N 0.22 0.90 -1.54 3.11 5.85 -1.88 -2.23 115.31 119.72 3kp1 h LEU 622 Ca 0.20 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kp1 h LEU 622 Cb 0.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kp1 h LEU 622 CO -0.26 0.92 -0.24 0.03 -0.34 0.00 0.00 178.44 178.55 3kp1 h ARG 623 N 0.83 0.00 -0.03 1.25 3.08 -1.22 -2.77 114.38 115.53 3kp1 h ARG 623 Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3kp1 h ARG 623 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3kp1 h ARG 623 CO 0.01 0.24 -0.27 0.93 -1.07 0.00 0.00 179.97 179.80 3kp1 h GLU 624 N 0.00 0.05 -0.35 0.04 4.39 -0.17 0.31 114.58 118.84 3kp1 h GLU 624 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kp1 h GLU 624 Cb 0.46 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3kp1 h GLU 624 CO 0.03 0.32 0.00 1.33 -1.16 0.00 0.00 179.01 179.53 3kp1 n VAL 625 N -4.20 0.45 -0.02 3.13 0.24 -1.06 -4.12 118.33 112.75 3kp1 n VAL 625 Ca -0.02 -0.63 -0.06 0.00 -2.04 0.00 0.00 64.34 61.59 3kp1 n VAL 625 Cb 0.33 0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.11 0.72 -1.61 1.34 5.41 -0.83 -1.13 119.36 124.37 3kp1 n ILE 626 Ca 0.18 0.04 -0.47 0.00 1.00 0.00 0.00 62.75 63.50 3kp1 n ILE 626 Cb 0.51 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.74 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 -3.48 1.81 0.28 4.38 8.00 0.10 -1.98 116.55 125.65 3kp1 n ASP 627 Ca -0.11 1.14 0.13 0.00 0.71 0.00 0.00 54.79 56.66 3kp1 n ASP 627 Cb 0.45 -1.29 0.81 0.00 -0.02 0.00 0.00 41.12 41.07 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 2.78 0.66 -0.39 0.53 2.10 -1.89 0.18 117.51 121.49 3kp1 h ILE 628 Ca -0.44 -0.16 0.06 0.00 1.08 0.00 0.00 64.86 65.40 3kp1 h ILE 628 Cb 1.32 1.09 -0.08 0.00 -1.09 0.00 0.00 36.82 38.06 3kp1 h ILE 628 CO 0.72 0.04 -0.50 0.50 -1.08 0.00 0.00 178.15 177.83 3kp1 h LYS 629 N 0.00 -0.37 -1.38 2.19 1.63 -1.93 -1.20 116.57 115.51 3kp1 h LYS 629 Ca -0.00 0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.15 3kp1 h LYS 629 Cb 0.09 0.08 -0.32 0.00 -0.60 0.00 0.00 32.23 31.48 3kp1 h LYS 629 CO 0.01 -0.25 0.44 0.72 -3.45 0.00 0.00 179.45 176.92 3kp1 n HIS 630 N -5.40 3.10 -2.62 1.91 8.25 -1.25 -4.90 115.22 114.32 3kp1 n HIS 630 Ca -0.02 -2.68 -0.08 0.00 -0.26 0.00 0.00 57.72 54.67 3kp1 n HIS 630 Cb 0.35 -0.99 0.02 0.00 1.12 0.00 0.00 29.99 30.49 3kp1 n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp1 n GLY 631 N -0.69 0.27 3.67 -1.41 0.00 -0.45 -4.63 105.19 101.94 3kp1 n GLY 631 Ca 0.53 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3kp1 n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kp1 s GLY 632 N -2.94 1.63 0.13 -0.02 0.00 0.64 -2.57 107.32 104.19 3kp1 s GLY 632 Ca 0.14 0.15 0.10 0.00 0.00 0.00 0.00 44.72 45.10 3kp1 s GLY 632 CO 0.17 0.64 1.29 0.29 0.00 0.00 0.00 173.10 175.49 3kp1 n ILE 633 N -4.13 1.55 -0.16 0.90 -5.35 -0.29 -0.75 119.36 111.13 3kp1 n ILE 633 Ca 0.08 0.56 0.09 0.00 -0.27 0.00 0.00 62.75 63.21 3kp1 n ILE 633 Cb 0.54 -1.54 0.41 0.00 -1.74 0.00 0.00 39.64 37.30 3kp1 n ILE 633 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3kp1 h GLU 634 N 0.00 0.61 0.00 6.28 4.81 -1.66 -2.11 114.58 122.52 3kp1 h GLU 634 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kp1 h GLU 634 Cb 0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3kp1 h GLU 634 CO 0.00 0.40 0.00 0.36 -0.73 0.00 0.00 179.01 179.04 3kp1 n LYS 635 N -4.49 0.08 0.00 1.92 2.85 0.07 -2.22 118.16 116.37 3kp1 n LYS 635 Ca 0.11 0.22 0.06 0.00 -1.05 0.00 0.00 58.31 57.65 3kp1 n LYS 635 Cb 0.31 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.22 3kp1 n LYS 635 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kp1 n TYR 636 N -1.42 0.00 -0.23 5.58 4.01 -0.80 -4.98 117.16 119.32 3kp1 n TYR 636 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3kp1 n TYR 636 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.85 0.88 3.69 2.72 0.00 -0.94 -4.62 105.19 107.77 3kp1 n GLY 637 Ca 0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.96 -0.19 1.61 1.01 -1.21 -4.72 120.40 118.86 3kp1 s VAL 638 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 3kp1 s VAL 638 Cb 0.00 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3kp1 s VAL 638 CO 0.00 0.02 1.13 -0.70 0.00 0.00 0.00 175.10 175.55 3kp1 s GLU 639 N 2.05 4.26 -0.16 2.72 2.12 -0.62 -4.63 118.70 124.45 3kp1 s GLU 639 Ca 0.60 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 57.41 3kp1 s GLU 639 Cb -0.29 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.41 3kp1 s GLU 639 CO 0.25 -0.63 -0.10 0.08 -0.54 0.00 0.00 175.26 174.32 3kp1 s VAL 640 N 3.19 3.18 -0.43 3.70 1.01 -1.26 -1.57 120.40 128.21 3kp1 s VAL 640 Ca 0.49 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 3kp1 s VAL 640 Cb -0.18 -2.38 0.09 0.00 0.00 0.00 0.00 36.38 33.91 3kp1 s VAL 640 CO 0.11 0.49 0.29 -1.00 0.00 0.00 0.00 175.10 174.99 3kp1 s HIS 641 N 0.75 3.36 -0.21 5.22 3.76 -0.45 -5.00 115.29 122.72 3kp1 s HIS 641 Ca -0.04 -1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 53.14 3kp1 s HIS 641 Cb -0.15 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 3kp1 s HIS 641 CO 0.02 -0.88 0.30 -0.47 -0.85 0.00 0.00 174.74 172.85 3kp1 s TYR 642 N 1.42 3.37 -2.01 1.40 5.04 -1.26 -1.62 117.35 123.69 3kp1 s TYR 642 Ca 0.04 0.48 0.21 0.00 -2.44 0.00 0.00 57.07 55.36 3kp1 s TYR 642 Cb -0.24 -2.40 0.46 0.00 0.35 0.00 0.00 41.96 40.13 3kp1 s TYR 642 CO 0.02 0.07 1.40 1.28 -1.34 0.00 0.00 175.55 176.97 3kp1 n LEU 643 N 4.23 3.48 0.00 6.97 4.77 -0.16 -4.97 117.00 131.32 3kp1 n LEU 643 Ca -0.11 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3kp1 n LEU 643 Cb 0.52 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kp1 n LEU 643 CO 0.38 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3kp1 n GLY 644 N 1.36 -0.77 3.82 -0.72 0.00 -1.26 -4.89 105.19 102.72 3kp1 n GLY 644 Ca 0.19 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 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 1.77 -1.62 2.61 -4.23 -1.26 -2.11 115.64 110.79 3kp1 s THR 645 Ca 0.00 -1.67 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 3kp1 s THR 645 Cb 0.00 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.50 3kp1 s THR 645 CO 0.00 0.00 0.58 -1.20 -0.54 0.00 0.00 174.62 173.46 3kp1 n SER 646 N -1.48 -1.87 -4.52 3.99 7.64 0.28 -4.89 113.62 112.78 3kp1 n SER 646 Ca -0.06 -1.06 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 3kp1 n SER 646 Cb 0.65 -2.63 -0.07 0.00 -1.01 0.00 0.00 64.21 61.15 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 -3.60 4.89 0.33 0.44 1.01 -0.70 -4.70 120.40 118.06 3kp1 s VAL 647 Ca 0.46 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3kp1 s VAL 647 Cb -0.25 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 3kp1 s VAL 647 CO 0.93 -0.52 1.05 -2.65 0.00 0.00 0.00 175.10 173.91 3kp1 n PRO 648 N 6.08 1.48 -0.06 2.72 -0.02 -1.26 -2.02 135.00 141.93 3kp1 n PRO 648 Ca -0.03 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 3kp1 n PRO 648 Cb 0.48 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.99 0.73 -0.97 -1.45 2.07 -1.96 -2.46 116.25 114.20 3kp1 h VAL 649 Ca -0.42 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3kp1 h VAL 649 Cb 1.33 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 3kp1 h VAL 649 CO 0.60 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.73 3kp1 h GLU 650 N -0.01 1.09 -0.94 1.57 4.81 -1.96 0.76 114.58 119.90 3kp1 h GLU 650 Ca 0.12 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3kp1 h GLU 650 Cb 0.20 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3kp1 h GLU 650 CO -0.26 0.72 0.61 -0.22 -0.73 0.00 0.00 179.01 179.13 3kp1 h LYS 651 N 1.12 1.10 0.10 1.92 3.64 -1.82 0.84 116.57 123.48 3kp1 h LYS 651 Ca 0.42 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3kp1 h LYS 651 Cb 0.18 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3kp1 h LYS 651 CO -0.18 0.73 -0.05 1.25 -2.27 0.00 0.00 179.45 178.93 3kp1 h LEU 652 N 1.13 -0.12 -0.22 5.20 5.85 -0.64 0.14 115.31 126.66 3kp1 h LEU 652 Ca 0.39 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kp1 h LEU 652 Cb 0.10 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3kp1 h LEU 652 CO -0.14 0.12 0.14 0.58 -0.34 0.00 0.00 178.44 178.81 3kp1 h VAL 653 N -0.35 1.05 -0.69 1.05 2.07 -0.46 0.81 116.25 119.73 3kp1 h VAL 653 Ca -0.01 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3kp1 h VAL 653 Cb 0.29 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3kp1 h VAL 653 CO 0.02 0.05 0.34 0.44 0.02 0.00 0.00 177.57 178.45 3kp1 h ASP 654 N 0.29 0.46 0.21 0.57 3.32 0.70 -1.15 116.42 120.82 3kp1 h ASP 654 Ca 0.08 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3kp1 h ASP 654 Cb -0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kp1 h ASP 654 CO -0.02 0.27 -0.33 0.00 -1.72 0.00 0.00 179.24 177.44 3kp1 h ALA 655 N 1.41 1.28 -0.99 3.45 0.00 -0.51 0.12 119.26 124.01 3kp1 h ALA 655 Ca 0.33 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 655 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kp1 h ALA 655 CO -0.25 0.50 0.66 0.00 0.00 0.00 0.00 179.25 180.15 3kp1 h ALA 656 N 1.51 1.29 0.20 0.00 0.00 0.38 -2.50 119.26 120.14 3kp1 h ALA 656 Ca 0.02 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3kp1 h ALA 656 Cb 0.66 -0.40 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kp1 h ALA 656 CO 0.05 0.66 -1.48 0.82 0.00 0.00 0.00 179.25 179.29 3kp1 h ILE 657 N 1.34 1.16 0.00 0.00 2.04 -1.01 -0.67 117.51 120.38 3kp1 h ILE 657 Ca 0.36 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3kp1 h ILE 657 Cb -0.15 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3kp1 h ILE 657 CO -0.08 0.80 0.00 -0.62 0.00 0.00 0.00 178.15 178.26 3kp1 n GLU 658 N -3.75 0.09 0.00 2.37 1.02 -0.01 -2.14 120.64 118.22 3kp1 n GLU 658 Ca -0.20 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kp1 n GLU 658 Cb 1.04 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 3kp1 n GLU 658 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3kp1 n LEU 659 N -1.40 0.96 -3.48 -4.62 -0.00 -0.95 -5.02 117.00 102.48 3kp1 n LEU 659 Ca 0.05 -0.97 -0.18 0.00 -0.00 0.00 0.00 56.01 54.91 3kp1 n LEU 659 Cb 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.64 3kp1 n LEU 659 CO 0.12 0.24 0.05 0.29 -0.00 0.00 0.00 177.39 178.09 3kp1 n LYS 660 N -0.05 -5.55 -2.83 1.47 5.02 -0.91 -4.97 118.16 110.34 3kp1 n LYS 660 Ca 0.00 0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 3kp1 n LYS 660 Cb 0.01 -5.65 -0.06 0.00 -0.02 0.00 0.00 35.03 29.31 3kp1 n LYS 660 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kp1 s ALA 661 N -3.44 3.14 -0.36 7.82 0.00 -0.28 -4.95 121.76 123.70 3kp1 s ALA 661 Ca 0.07 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.47 3kp1 s ALA 661 Cb -0.01 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.24 3kp1 s ALA 661 CO 0.76 0.10 1.21 -0.44 0.00 0.00 0.00 175.76 177.39 3kp1 h ASP 662 N 1.76 0.00 -5.00 0.00 3.32 -0.42 -3.47 116.42 112.62 3kp1 h ASP 662 Ca -0.48 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.45 3kp1 h ASP 662 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 3kp1 h ASP 662 CO 0.62 0.02 0.06 0.00 -1.72 0.00 0.00 179.24 178.23 3kp1 s ALA 663 N -3.29 -1.50 -0.15 3.45 0.00 -1.10 -1.87 121.76 117.30 3kp1 s ALA 663 Ca 0.02 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 3kp1 s ALA 663 Cb 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3kp1 s ALA 663 CO 0.75 -0.35 -0.07 0.42 0.00 0.00 0.00 175.76 176.52 3kp1 s ILE 664 N -1.28 3.62 -0.24 0.00 1.01 0.14 -1.38 121.20 123.07 3kp1 s ILE 664 Ca -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3kp1 s ILE 664 Cb -0.01 -2.57 0.05 0.00 0.01 0.00 0.00 42.46 39.93 3kp1 s ILE 664 CO 0.08 0.50 -0.13 -0.76 0.00 0.00 0.00 174.94 174.63 3kp1 s LEU 665 N 0.38 3.04 0.08 2.97 1.43 0.51 -1.43 118.68 125.67 3kp1 s LEU 665 Ca -0.06 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 51.96 3kp1 s LEU 665 Cb -0.15 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3kp1 s LEU 665 CO 0.04 -0.13 -0.13 0.00 0.23 0.00 0.00 176.35 176.36 3kp1 s ALA 666 N 1.17 2.83 -0.03 4.21 0.00 -0.77 -1.75 121.76 127.41 3kp1 s ALA 666 Ca -0.04 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.75 3kp1 s ALA 666 Cb -0.18 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3kp1 s ALA 666 CO -0.07 0.61 -0.23 0.45 0.00 0.00 0.00 175.76 176.52 3kp1 s SER 667 N -1.95 2.72 -0.21 0.00 0.15 -0.21 -1.66 113.70 112.54 3kp1 s SER 667 Ca 0.19 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 3kp1 s SER 667 Cb -0.11 -0.49 0.07 0.00 -1.71 0.00 0.00 66.02 63.78 3kp1 s SER 667 CO 0.10 0.25 0.08 0.42 1.20 0.00 0.00 173.24 175.30 3kp1 s THR 668 N -0.35 0.18 -0.22 6.45 -4.23 0.15 -2.14 115.64 115.48 3kp1 s THR 668 Ca 0.04 -0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.88 3kp1 s THR 668 Cb -0.11 -0.89 -0.11 0.00 1.34 0.00 0.00 72.50 72.74 3kp1 s THR 668 CO 0.01 -0.39 -0.23 -0.38 -0.54 0.00 0.00 174.62 173.09 3kp1 n ILE 669 N 5.17 1.51 -1.67 2.99 2.08 -1.26 -4.26 119.36 123.91 3kp1 n ILE 669 Ca -0.07 -0.10 -0.49 0.00 0.56 0.00 0.00 62.75 62.65 3kp1 n ILE 669 Cb 0.46 -2.11 -0.05 0.00 -0.75 0.00 0.00 39.64 37.20 3kp1 n ILE 669 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kp1 n ILE 670 N -4.39 0.28 0.11 1.39 2.08 -1.26 -4.69 119.36 112.88 3kp1 n ILE 670 Ca -0.33 -0.05 0.02 0.00 0.56 0.00 0.00 62.75 62.95 3kp1 n ILE 670 Cb 0.67 -1.56 -0.03 0.00 -0.75 0.00 0.00 39.64 37.97 3kp1 n ILE 670 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3kp1 n SER 671 N 4.89 1.82 -4.58 4.38 3.41 -1.26 -4.00 113.62 118.27 3kp1 n SER 671 Ca 0.21 -0.34 -0.65 0.00 -0.26 0.00 0.00 58.87 57.82 3kp1 n SER 671 Cb 0.26 1.08 -0.11 0.00 -0.26 0.00 0.00 64.21 65.18 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 -1.32 1.57 -1.56 7.33 -0.00 -1.26 -0.64 115.22 119.34 3kp1 n HIS 672 Ca 0.00 1.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.67 3kp1 n HIS 672 Cb 0.08 -2.26 -0.01 0.00 -0.00 0.00 0.00 29.99 27.80 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 5.24 -2.93 -2.21 0.26 2.03 -1.26 -3.39 116.55 114.29 3kp1 n ASP 673 Ca 0.39 0.06 -0.20 0.00 0.52 0.00 0.00 54.79 55.56 3kp1 n ASP 673 Cb -0.04 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 38.83 3kp1 n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kp1 n ASP 674 N 1.17 -5.76 0.21 1.67 8.00 0.19 -4.87 116.55 117.15 3kp1 n ASP 674 Ca -0.05 0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.56 3kp1 n ASP 674 Cb 0.33 -4.82 0.47 0.00 -0.02 0.00 0.00 41.12 37.08 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 0.00 1.16 0.05 0.53 6.09 -1.61 -0.70 117.51 123.03 3kp1 h ILE 675 Ca -0.47 -0.74 -0.00 0.00 -1.37 0.00 0.00 64.86 62.27 3kp1 h ILE 675 Cb 1.35 1.38 0.00 0.00 0.47 0.00 0.00 36.82 40.02 3kp1 h ILE 675 CO 0.58 0.21 -0.02 1.12 -3.07 0.00 0.00 178.15 176.97 3kp1 h HIS 676 N 0.03 -0.06 -0.58 2.19 2.07 -1.81 0.45 115.15 117.44 3kp1 h HIS 676 Ca 0.00 -0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 3kp1 h HIS 676 Cb 0.38 0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.36 3kp1 h HIS 676 CO 0.00 0.03 0.01 1.88 -3.07 0.00 0.00 177.93 176.78 3kp1 h TYR 677 N -0.14 1.11 -0.75 6.12 0.05 -1.87 -2.48 116.97 119.00 3kp1 h TYR 677 Ca -0.01 -0.19 0.05 0.00 0.05 0.00 0.00 58.73 58.63 3kp1 h TYR 677 Cb 0.12 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3kp1 h TYR 677 CO -0.05 0.99 0.49 0.87 -1.05 0.00 0.00 178.16 179.41 3kp1 h LYS 678 N 0.91 0.83 -0.06 4.88 1.57 -0.96 -1.98 116.57 121.75 3kp1 h LYS 678 Ca 0.17 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3kp1 h LYS 678 Cb 0.54 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3kp1 h LYS 678 CO 0.03 0.55 -0.72 -0.91 -0.57 0.00 0.00 179.45 177.82 3kp1 h ASN 679 N 0.85 0.38 -0.23 0.86 2.35 -0.66 -2.30 115.58 116.83 3kp1 h ASN 679 Ca 0.31 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kp1 h ASN 679 Cb 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kp1 h ASN 679 CO -0.10 0.98 0.14 0.24 -1.65 0.00 0.00 177.43 177.04 3kp1 h MET 680 N 0.21 0.31 0.03 0.81 2.86 -0.97 -1.44 114.93 116.74 3kp1 h MET 680 Ca -0.03 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3kp1 h MET 680 Cb 1.29 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 3kp1 h MET 680 CO 0.12 0.23 -0.25 -0.22 1.06 0.00 0.00 176.91 177.85 3kp1 h LYS 681 N 0.29 -0.39 -0.58 1.72 1.63 -1.32 -1.79 116.57 116.13 3kp1 h LYS 681 Ca 0.08 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.01 3kp1 h LYS 681 Cb 0.00 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 31.61 3kp1 h LYS 681 CO -0.02 -0.26 -0.31 0.00 -3.45 0.00 0.00 179.45 175.41 3kp1 h ARG 682 N -0.41 -0.15 -0.59 1.90 3.08 -1.19 -0.63 114.38 116.39 3kp1 h ARG 682 Ca 0.05 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.21 3kp1 h ARG 682 Cb 0.48 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3kp1 h ARG 682 CO -0.21 -0.10 0.19 0.82 -1.07 0.00 0.00 179.97 179.61 3kp1 h ILE 683 N -0.15 0.74 0.20 2.04 2.04 -0.77 0.10 117.51 121.70 3kp1 h ILE 683 Ca 0.24 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3kp1 h ILE 683 Cb 0.54 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kp1 h ILE 683 CO -0.66 0.06 -0.11 -0.74 0.00 0.00 0.00 178.15 176.70 3kp1 h HIS 684 N 0.35 -0.28 0.10 1.37 2.76 -0.35 0.25 115.15 119.36 3kp1 h HIS 684 Ca 0.30 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3kp1 h HIS 684 Cb 0.40 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3kp1 h HIS 684 CO -0.19 -0.17 -0.08 0.93 -1.30 0.00 0.00 177.93 177.12 3kp1 h GLU 685 N -0.29 -0.18 -0.88 5.26 5.08 -0.57 0.33 114.58 123.33 3kp1 h GLU 685 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3kp1 h GLU 685 Cb 0.23 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 3kp1 h GLU 685 CO 0.03 -0.12 0.54 -0.07 -1.00 0.00 0.00 179.01 178.39 3kp1 h LEU 686 N -0.19 0.83 -1.53 1.33 3.38 -0.78 1.04 115.31 119.39 3kp1 h LEU 686 Ca -0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3kp1 h LEU 686 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kp1 h LEU 686 CO -0.01 0.52 -0.24 0.00 0.09 0.00 0.00 178.44 178.80 3kp1 h ALA 687 N 1.43 1.49 0.02 1.53 0.00 -0.20 -1.63 119.26 121.89 3kp1 h ALA 687 Ca 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kp1 h ALA 687 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kp1 h ALA 687 CO -0.19 0.30 -0.12 0.28 0.00 0.00 0.00 179.25 179.52 3kp1 h VAL 688 N 0.00 1.71 0.00 0.00 2.07 0.18 -0.84 116.25 119.37 3kp1 h VAL 688 Ca -0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 3kp1 h VAL 688 Cb 0.46 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 3kp1 h VAL 688 CO 0.03 0.59 0.00 -0.33 0.02 0.00 0.00 177.57 177.88 3kp1 h GLU 689 N -0.83 0.00 -0.52 1.57 5.08 0.12 0.59 114.58 120.59 3kp1 h GLU 689 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kp1 h GLU 689 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3kp1 h GLU 689 CO 0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 3kp1 n LYS 690 N -2.97 2.60 -3.48 2.33 4.76 -0.63 -4.99 118.16 115.78 3kp1 n LYS 690 Ca -0.01 -2.44 -0.19 0.00 -2.87 0.00 0.00 58.31 52.80 3kp1 n LYS 690 Cb 0.20 -1.54 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 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 1.57 -0.41 0.00 0.72 0.00 0.21 -4.89 105.19 102.38 3kp1 n GLY 691 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.40 0.15 0.28 -0.61 -0.00 -0.53 -4.85 119.36 109.40 3kp1 n ILE 692 Ca -0.19 -0.28 0.16 0.00 -0.00 0.00 0.00 62.75 62.44 3kp1 n ILE 692 Cb 0.63 1.30 0.91 0.00 -0.00 0.00 0.00 39.64 42.49 3kp1 n ILE 692 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 3kp1 h ARG 693 N 0.00 0.00 -0.01 6.28 9.65 -1.49 -0.75 114.38 128.06 3kp1 h ARG 693 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kp1 h ARG 693 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3kp1 h ARG 693 CO 0.00 0.00 -0.55 -0.40 2.80 0.00 0.00 179.97 181.82 3kp1 n ASP 694 N -3.76 1.18 -0.03 -3.80 5.75 -1.26 -4.13 116.55 110.50 3kp1 n ASP 694 Ca -0.02 -0.95 0.03 0.00 -0.01 0.00 0.00 54.79 53.84 3kp1 n ASP 694 Cb 0.15 0.47 -0.13 0.00 -1.03 0.00 0.00 41.12 40.58 3kp1 n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kp1 n LYS 695 N -0.87 0.82 -4.16 0.11 5.02 -0.35 -5.00 118.16 113.73 3kp1 n LYS 695 Ca 0.08 -0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 3kp1 n LYS 695 Cb 0.37 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.90 3.94 0.03 -0.18 2.07 -0.80 -4.96 121.20 118.40 3kp1 s ILE 696 Ca -0.07 -1.00 -0.10 0.00 -1.41 0.00 0.00 60.65 58.08 3kp1 s ILE 696 Cb 0.09 -2.86 -0.05 0.00 0.13 0.00 0.00 42.46 39.76 3kp1 s ILE 696 CO 0.68 0.14 0.35 -0.04 -1.91 0.00 0.00 174.94 174.16 3kp1 s MET 697 N -2.24 3.73 -0.23 3.50 -1.94 -0.78 -4.88 119.30 116.46 3kp1 s MET 697 Ca 0.25 0.14 -0.03 0.00 -1.71 0.00 0.00 55.69 54.34 3kp1 s MET 697 Cb -0.12 -3.08 0.07 0.00 2.01 0.00 0.00 34.83 33.72 3kp1 s MET 697 CO 0.17 0.62 0.07 0.42 -0.01 0.00 0.00 175.02 176.29 3kp1 s ILE 698 N -1.28 0.45 -0.05 2.53 1.01 -1.26 0.24 121.20 122.83 3kp1 s ILE 698 Ca 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3kp1 s ILE 698 Cb -0.14 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3kp1 s ILE 698 CO 0.16 -0.39 -0.02 -0.83 0.00 0.00 0.00 174.94 173.85 3kp1 s GLY 699 N 1.87 1.82 0.00 6.18 0.00 -0.51 -0.83 107.32 115.85 3kp1 s GLY 699 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.90 3kp1 s GLY 699 CO -0.16 -0.68 -0.09 0.00 0.00 0.00 0.00 173.10 172.17 3kp1 s GLY 701 N -0.37 1.06 0.00 0.00 0.00 -0.66 -0.85 107.32 106.50 3kp1 s GLY 701 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3kp1 s GLY 701 CO -0.00 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.31 3kp1 n GLY 702 N -0.13 2.11 0.36 0.20 0.00 -0.15 -0.67 105.19 106.91 3kp1 n GLY 702 Ca -0.05 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 0.96 0.94 -0.36 2.61 2.02 -1.84 -1.96 112.91 115.28 3kp1 h THR 703 Ca 0.00 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 3kp1 h THR 703 Cb 0.00 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 3kp1 h THR 703 CO 0.00 0.13 0.01 0.00 0.37 0.00 0.00 175.52 176.03 3kp1 n GLN 704 N -4.50 2.43 -3.24 6.66 1.13 -1.26 -4.26 117.38 114.34 3kp1 n GLN 704 Ca 0.13 -3.01 -0.39 0.00 -1.94 0.00 0.00 57.00 51.79 3kp1 n GLN 704 Cb 0.33 -1.87 -0.06 0.00 0.11 0.00 0.00 30.24 28.76 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 -3.05 5.14 -0.27 5.09 1.01 -0.74 -5.06 120.40 122.53 3kp1 s VAL 705 Ca 0.45 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 3kp1 s VAL 705 Cb 0.38 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3kp1 s VAL 705 CO 0.05 0.28 0.03 -0.89 0.00 0.00 0.00 175.10 174.57 3kp1 s THR 706 N 0.84 3.58 0.29 3.92 2.01 -1.26 -3.82 115.64 121.19 3kp1 s THR 706 Ca 0.29 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3kp1 s THR 706 Cb -0.16 -2.82 0.38 0.00 0.01 0.00 0.00 72.50 69.91 3kp1 s THR 706 CO 0.12 0.14 1.42 -2.65 -0.69 0.00 0.00 174.62 172.97 3kp1 n PRO 707 N 4.80 -0.07 0.01 4.92 -0.02 -1.26 0.11 135.00 143.48 3kp1 n PRO 707 Ca -0.15 1.35 -0.11 0.00 -2.02 0.00 0.00 63.50 62.57 3kp1 n PRO 707 Cb 0.48 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3kp1 n PRO 707 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kp1 h GLU 708 N 0.00 0.09 -0.03 -0.52 3.07 -1.94 -1.94 114.58 113.31 3kp1 h GLU 708 Ca 0.57 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.34 3kp1 h GLU 708 Cb 1.19 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3kp1 h GLU 708 CO -0.85 0.12 -0.34 0.28 -1.40 0.00 0.00 179.01 176.82 3kp1 h VAL 709 N 0.04 1.26 -0.42 3.13 2.07 -0.75 -2.72 116.25 118.86 3kp1 h VAL 709 Ca 0.02 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3kp1 h VAL 709 Cb 0.05 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3kp1 h VAL 709 CO -0.00 0.36 -0.11 0.00 0.02 0.00 0.00 177.57 177.83 3kp1 h ALA 710 N 1.61 0.58 -0.27 1.67 0.00 -0.86 -2.79 119.26 119.20 3kp1 h ALA 710 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3kp1 h ALA 710 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kp1 h ALA 710 CO 0.05 0.47 0.06 0.28 0.00 0.00 0.00 179.25 180.11 3kp1 h VAL 711 N 0.64 1.14 0.00 0.00 2.07 -1.15 -0.61 116.25 118.33 3kp1 h VAL 711 Ca 0.11 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kp1 h VAL 711 Cb 0.65 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kp1 h VAL 711 CO 0.04 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.09 3kp1 n LYS 712 N -4.38 0.14 0.01 1.57 5.02 -1.04 -1.94 118.16 117.53 3kp1 n LYS 712 Ca 0.01 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 3kp1 n LYS 712 Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.31 0.27 0.00 1.97 1.13 -0.24 -4.97 117.38 114.23 3kp1 n GLN 713 Ca 0.05 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kp1 n GLN 713 Cb 0.09 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.90 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 1.39 0.78 3.91 1.08 0.00 -0.82 -4.34 105.19 107.19 3kp1 n GLY 714 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp1 s VAL 715 N -2.00 4.23 0.07 1.61 -7.23 -1.24 -4.89 120.40 110.94 3kp1 s VAL 715 Ca 0.00 0.13 0.09 0.00 -1.81 0.00 0.00 61.98 60.39 3kp1 s VAL 715 Cb 0.00 -3.64 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 3kp1 s VAL 715 CO 0.00 -0.66 1.35 0.44 -0.31 0.00 0.00 175.10 175.92 3kp1 h ASP 716 N -0.02 0.00 -3.92 4.85 3.32 -1.32 -3.39 116.42 115.94 3kp1 h ASP 716 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3kp1 h ASP 716 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 3kp1 h ASP 716 CO 0.61 0.86 0.06 0.00 -1.72 0.00 0.00 179.24 179.04 3kp1 s ALA 717 N -2.84 -1.65 0.02 3.45 0.00 -1.15 -4.96 121.76 114.62 3kp1 s ALA 717 Ca 0.01 1.90 0.02 0.00 0.00 0.00 0.00 51.96 53.89 3kp1 s ALA 717 Cb 0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kp1 s ALA 717 CO 0.80 -0.32 0.00 0.20 0.00 0.00 0.00 175.76 176.44 3kp1 s GLY 718 N 0.43 1.89 -0.06 0.00 0.00 -1.26 -1.65 107.32 106.66 3kp1 s GLY 718 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 3kp1 s GLY 718 CO -0.00 -0.88 0.02 -1.36 0.00 0.00 0.00 173.10 170.87 3kp1 s PHE 719 N -1.14 0.49 0.00 1.90 0.08 -0.03 -4.39 117.98 114.89 3kp1 s PHE 719 Ca 0.21 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3kp1 s PHE 719 Cb -0.12 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 3kp1 s PHE 719 CO 0.12 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 3kp1 n GLY 720 N 5.19 4.25 3.54 4.36 0.00 -1.25 -0.97 105.19 120.32 3kp1 n GLY 720 Ca -0.06 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 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 1.03 -0.99 1.61 1.74 -1.25 -2.25 116.66 116.54 3kp1 n ARG 721 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 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 1.42 0.60 3.76 -0.13 0.00 -1.26 -5.00 105.19 104.58 3kp1 n GLY 722 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.26 6.62 0.39 1.61 0.01 -0.95 -5.03 113.70 114.09 3kp1 s SER 723 Ca 0.00 2.76 0.07 0.00 1.31 0.00 0.00 55.95 60.09 3kp1 s SER 723 Cb 0.00 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 3kp1 s SER 723 CO 0.00 -0.69 0.00 -0.54 0.41 0.00 0.00 173.24 172.42 3kp1 s LYS 724 N -1.18 1.90 0.27 12.44 1.02 -1.26 -4.86 119.74 128.07 3kp1 s LYS 724 Ca 0.55 -2.06 -0.04 0.00 0.02 0.00 0.00 55.97 54.44 3kp1 s LYS 724 Cb -0.42 -1.55 0.36 0.00 -0.52 0.00 0.00 37.83 35.70 3kp1 s LYS 724 CO 0.50 -0.04 1.91 0.78 -0.92 0.00 0.00 175.35 177.59 3kp1 h GLY 725 N 1.85 1.19 0.28 -3.33 0.00 -1.73 -2.64 103.07 98.70 3kp1 h GLY 725 Ca -0.43 -0.51 0.08 0.00 0.00 0.00 0.00 47.33 46.47 3kp1 h GLY 725 CO 0.78 0.49 0.00 1.19 0.00 0.00 0.00 176.54 179.00 3kp1 h ILE 726 N 1.13 0.66 -0.75 2.60 6.09 -1.91 0.13 117.51 125.46 3kp1 h ILE 726 Ca 0.29 -0.04 0.08 0.00 -1.37 0.00 0.00 64.86 63.82 3kp1 h ILE 726 Cb -0.02 0.54 -0.07 0.00 0.47 0.00 0.00 36.82 37.75 3kp1 h ILE 726 CO -0.05 0.02 0.42 0.45 -3.07 0.00 0.00 178.15 175.92 3kp1 h HIS 727 N 0.11 0.76 -0.01 2.19 3.86 -1.87 -1.25 115.15 118.94 3kp1 h HIS 727 Ca 0.22 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3kp1 h HIS 727 Cb 0.32 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3kp1 h HIS 727 CO -0.29 0.32 -0.02 0.28 0.86 0.00 0.00 177.93 179.09 3kp1 h VAL 728 N 0.72 1.44 -0.70 2.45 2.07 -1.00 -2.38 116.25 118.86 3kp1 h VAL 728 Ca 0.36 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 3kp1 h VAL 728 Cb 0.30 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 3kp1 h VAL 728 CO -0.23 0.35 0.28 0.00 0.02 0.00 0.00 177.57 177.99 3kp1 h ALA 729 N 0.45 1.17 -0.04 1.67 0.00 -0.79 -1.39 119.26 120.34 3kp1 h ALA 729 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kp1 h ALA 729 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kp1 h ALA 729 CO 0.00 0.60 -0.05 1.15 0.00 0.00 0.00 179.25 180.95 3kp1 h THR 730 N 1.01 0.86 -0.72 0.00 2.02 -1.24 -0.35 112.91 114.49 3kp1 h THR 730 Ca 0.24 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.48 3kp1 h THR 730 Cb 0.19 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 3kp1 h THR 730 CO -0.02 0.00 0.42 0.15 0.37 0.00 0.00 175.52 176.44 3kp1 h PHE 731 N -0.07 0.77 -0.41 3.16 3.57 -1.11 -1.57 116.94 121.28 3kp1 h PHE 731 Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kp1 h PHE 731 Cb 0.12 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3kp1 h PHE 731 CO -0.14 0.38 0.07 -0.07 -2.23 0.00 0.00 178.31 176.31 3kp1 h LEU 732 N 0.77 0.64 -0.27 0.59 3.38 -0.71 -0.25 115.31 119.46 3kp1 h LEU 732 Ca 0.32 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3kp1 h LEU 732 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kp1 h LEU 732 CO -0.18 0.73 -0.39 -0.37 0.09 0.00 0.00 178.44 178.32 3kp1 h VAL 733 N 0.53 1.30 -0.17 1.22 -1.51 -0.95 -2.16 116.25 114.50 3kp1 h VAL 733 Ca 0.12 -1.59 -0.14 0.00 -1.23 0.00 0.00 66.70 63.87 3kp1 h VAL 733 Cb 0.36 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 3kp1 h VAL 733 CO 0.01 0.51 -0.50 0.11 -1.23 0.00 0.00 177.57 176.46 3kp1 h LYS 734 N 0.49 0.46 -0.07 5.19 1.57 -1.24 -1.22 116.57 121.75 3kp1 h LYS 734 Ca 0.03 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 3kp1 h LYS 734 Cb 0.99 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3kp1 h LYS 734 CO 0.09 0.86 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.35 3kp1 h LYS 735 N 0.36 0.30 -0.61 3.15 1.63 -1.10 -2.06 116.57 118.24 3kp1 h LYS 735 Ca 0.02 -0.23 0.11 0.00 -0.85 0.00 0.00 60.65 59.70 3kp1 h LYS 735 Cb 1.01 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.60 3kp1 h LYS 735 CO 0.09 0.86 0.15 -0.09 -3.45 0.00 0.00 179.45 177.01 3kp1 h ARG 736 N -0.19 0.28 -0.96 1.90 2.43 -1.37 0.29 114.38 116.76 3kp1 h ARG 736 Ca -0.01 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3kp1 h ARG 736 Cb 0.90 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 3kp1 h ARG 736 CO 0.06 0.19 0.63 0.00 -1.51 0.00 0.00 179.97 179.33 3kp1 h ARG 737 N 0.29 1.22 0.28 0.20 3.08 -1.20 -3.05 114.38 115.20 3kp1 h ARG 737 Ca 0.32 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3kp1 h ARG 737 Cb 0.46 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kp1 h ARG 737 CO -0.39 0.80 -0.14 1.49 -1.07 0.00 0.00 179.97 180.67 3kp1 h GLU 738 N 1.25 -0.37 -0.94 0.04 4.81 -0.29 -3.09 114.58 116.00 3kp1 h GLU 738 Ca 0.37 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.89 3kp1 h GLU 738 Cb -0.07 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3kp1 h GLU 738 CO -0.10 -0.14 0.75 0.52 -0.73 0.00 0.00 179.01 179.32 3kp1 h MET 739 N -0.55 0.00 -0.01 1.92 2.86 -0.91 -3.51 114.93 114.73 3kp1 h MET 739 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3kp1 h MET 739 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kp1 h MET 739 CO 0.06 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.57