#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5n n MET 1 N 0.00 0.00 -4.02 1.57 2.00 -1.26 -4.99 117.12 110.41 3k5n n MET 1 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 3k5n n MET 1 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 3k5n n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k5n s ALA 2 N -1.00 3.07 0.07 3.04 0.00 -1.26 -4.46 121.76 121.22 3k5n s ALA 2 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3k5n s ALA 2 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3k5n s ALA 2 CO 0.00 -0.17 -0.13 1.14 0.00 0.00 0.00 175.76 176.60 3k5n s GLN 3 N 1.04 0.76 0.26 0.00 -2.07 -0.91 -4.89 119.66 113.87 3k5n s GLN 3 Ca 0.02 -0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 52.50 3k5n s GLN 3 Cb -0.14 -0.72 -0.08 0.00 -1.09 0.00 0.00 33.01 30.98 3k5n s GLN 3 CO 0.02 0.16 0.67 0.00 -1.32 0.00 0.00 175.29 174.81 3k5n s ALA 4 N -1.32 3.42 0.11 2.60 0.00 -1.26 0.15 121.76 125.47 3k5n s ALA 4 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3k5n s ALA 4 Cb -0.10 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3k5n s ALA 4 CO 0.02 0.39 0.18 0.41 0.00 0.00 0.00 175.76 176.76 3k5n n GLY 5 N 0.00 2.39 2.87 0.00 0.00 0.11 -4.58 105.19 105.99 3k5n n GLY 5 Ca 0.01 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 3k5n n GLY 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k5n s PHE 6 N -5.36 -0.14 -0.23 1.61 5.36 -0.08 -2.17 117.98 116.95 3k5n s PHE 6 Ca 0.07 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.27 3k5n s PHE 6 Cb -0.01 -0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 3k5n s PHE 6 CO 0.05 -0.20 0.91 0.96 -1.46 0.00 0.00 175.22 175.49 3k5n s ILE 7 N 1.58 4.78 0.04 3.12 -4.36 0.14 -0.31 121.20 126.19 3k5n s ILE 7 Ca -0.05 1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 61.96 3k5n s ILE 7 Cb -0.12 -4.19 -0.33 0.00 1.25 0.00 0.00 42.46 39.07 3k5n s ILE 7 CO -0.06 -0.11 1.05 -0.07 0.24 0.00 0.00 174.94 175.99 3k5n h LEU 8 N 9.22 0.80 -7.72 0.37 3.38 -1.32 -3.47 115.31 116.58 3k5n h LEU 8 Ca -0.22 -0.83 -0.12 0.00 0.09 0.00 0.00 57.88 56.80 3k5n h LEU 8 Cb 1.08 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 41.39 3k5n h LEU 8 CO 0.91 1.64 -0.40 -0.89 0.09 0.00 0.00 178.44 179.79 3k5n s THR 9 N -2.70 0.10 0.11 0.22 2.01 -1.14 -4.77 115.64 109.47 3k5n s THR 9 Ca -0.08 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.14 3k5n s THR 9 Cb 0.05 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3k5n s THR 9 CO 0.94 -0.45 -0.08 0.00 -0.69 0.00 0.00 174.62 174.34 3k5n s ARG 10 N -2.18 0.90 0.10 4.92 3.03 -1.26 -1.64 118.95 122.82 3k5n s ARG 10 Ca -0.08 -1.33 -0.14 0.00 2.03 0.00 0.00 55.73 56.21 3k5n s ARG 10 Cb -0.03 -0.39 0.03 0.00 -1.03 0.00 0.00 34.95 33.53 3k5n s ARG 10 CO -0.02 0.03 0.34 -1.01 -1.13 0.00 0.00 175.30 173.51 3k5n s HIS 11 N -3.29 -0.12 -0.03 5.89 3.76 0.10 -4.95 115.29 116.66 3k5n s HIS 11 Ca 0.12 -0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 3k5n s HIS 11 Cb 0.03 0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.91 3k5n s HIS 11 CO -0.02 -0.63 0.34 1.67 -0.85 0.00 0.00 174.74 175.25 3k5n s TRP 12 N -3.55 -0.23 0.05 1.40 1.48 -1.26 -0.74 118.94 116.08 3k5n s TRP 12 Ca 0.02 0.40 -0.27 0.00 -1.06 0.00 0.00 56.10 55.19 3k5n s TRP 12 Cb 0.02 0.12 0.09 0.00 -1.16 0.00 0.00 33.47 32.54 3k5n s TRP 12 CO -0.10 -0.38 0.75 -0.98 -4.06 0.00 0.00 176.95 172.18 3k5n s ARG 13 N -1.15 1.03 -0.22 3.25 1.70 -0.95 -4.96 118.95 117.65 3k5n s ARG 13 Ca -0.12 -0.29 -0.18 0.00 -0.47 0.00 0.00 55.73 54.67 3k5n s ARG 13 Cb -0.05 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3k5n s ARG 13 CO 0.04 -0.43 0.49 -0.51 -1.08 0.00 0.00 175.30 173.81 3k5n s ASP 14 N -2.39 6.50 0.27 -2.89 1.01 -1.26 0.27 116.67 118.19 3k5n s ASP 14 Ca 0.01 0.60 0.07 0.00 0.71 0.00 0.00 52.55 53.94 3k5n s ASP 14 Cb -0.01 -2.28 -0.06 0.00 1.01 0.00 0.00 42.92 41.59 3k5n s ASP 14 CO -0.08 -0.19 -0.07 0.42 0.21 0.00 0.00 175.17 175.46 3k5n s THR 15 N 1.75 1.68 0.59 -1.27 -4.23 0.44 -4.96 115.64 109.65 3k5n s THR 15 Ca 0.22 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 3k5n s THR 15 Cb -0.15 -2.42 0.37 0.00 1.34 0.00 0.00 72.50 71.65 3k5n s THR 15 CO 0.09 -0.32 1.93 1.55 -0.54 0.00 0.00 174.62 177.32 3k5n h PRO 16 N 2.30 0.00 -0.01 3.99 0.13 -2.01 -0.93 132.00 135.46 3k5n h PRO 16 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3k5n h PRO 16 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3k5n h PRO 16 CO 0.67 0.00 -0.21 0.94 -0.23 0.00 0.00 178.00 179.16 3k5n n GLN 17 N -3.70 1.31 0.00 0.86 7.27 -1.26 -5.03 117.38 116.83 3k5n n GLN 17 Ca 0.07 -0.91 0.00 0.00 0.07 0.00 0.00 57.00 56.23 3k5n n GLN 17 Cb 0.61 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.78 3k5n n GLN 17 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k5n n GLY 18 N 1.32 -0.06 3.06 1.69 0.00 -0.35 -4.89 105.19 105.96 3k5n n GLY 18 Ca 0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 3k5n n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k5n s THR 19 N -3.94 1.27 -0.18 2.61 -1.32 -1.26 -0.42 115.64 112.41 3k5n s THR 19 Ca 0.00 -0.57 -0.17 0.00 -1.21 0.00 0.00 61.69 59.74 3k5n s THR 19 Cb 0.00 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 3k5n s THR 19 CO 0.00 0.38 0.43 -1.61 -2.21 0.00 0.00 174.62 171.61 3k5n s GLU 20 N 0.50 4.22 -0.21 7.08 2.02 0.14 -2.88 118.70 129.57 3k5n s GLU 20 Ca -0.13 0.29 -0.10 0.00 0.02 0.00 0.00 54.97 55.05 3k5n s GLU 20 Cb -0.15 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 3k5n s GLU 20 CO 0.04 0.01 0.13 0.08 0.02 0.00 0.00 175.26 175.54 3k5n s VAL 21 N 1.14 5.34 0.06 2.63 1.01 -1.26 -2.24 120.40 127.08 3k5n s VAL 21 Ca 0.21 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.44 3k5n s VAL 21 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3k5n s VAL 21 CO 0.08 0.41 -0.21 -0.55 0.00 0.00 0.00 175.10 174.84 3k5n s SER 22 N 0.57 2.54 -0.02 3.32 0.15 0.08 -0.26 113.70 120.08 3k5n s SER 22 Ca 0.07 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 3k5n s SER 22 Cb -0.12 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3k5n s SER 22 CO 0.00 0.14 0.24 -0.36 1.20 0.00 0.00 173.24 174.46 3k5n s PHE 23 N -0.91 -0.12 -0.12 3.44 0.08 -0.54 0.01 117.98 119.81 3k5n s PHE 23 Ca 0.08 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3k5n s PHE 23 Cb -0.09 0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.39 3k5n s PHE 23 CO 0.03 -0.31 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.10 3k5n s TRP 24 N -1.09 2.74 0.39 0.36 0.52 -0.65 -0.94 118.94 120.28 3k5n s TRP 24 Ca -0.12 -0.74 0.08 0.00 0.02 0.00 0.00 56.10 55.34 3k5n s TRP 24 Cb -0.05 -1.80 -0.05 0.00 -1.15 0.00 0.00 33.47 30.41 3k5n s TRP 24 CO 0.03 -0.26 0.14 -0.51 0.02 0.00 0.00 176.95 176.37 3k5n s LEU 25 N 0.33 3.11 -0.13 2.99 1.43 0.57 -0.86 118.68 126.11 3k5n s LEU 25 Ca -0.13 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 51.94 3k5n s LEU 25 Cb -0.16 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3k5n s LEU 25 CO 0.06 -0.46 -0.12 0.00 0.23 0.00 0.00 176.35 176.07 3k5n s ALA 26 N -2.56 2.69 0.31 4.21 0.00 0.57 -1.72 121.76 125.27 3k5n s ALA 26 Ca 0.39 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3k5n s ALA 26 Cb 0.02 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3k5n s ALA 26 CO 0.22 0.27 0.21 0.95 0.00 0.00 0.00 175.76 177.41 3k5n s THR 27 N 0.27 0.15 -1.08 0.00 -4.23 -0.23 -0.91 115.64 109.61 3k5n s THR 27 Ca -0.08 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.58 3k5n s THR 27 Cb -0.15 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.36 3k5n s THR 27 CO 0.05 0.00 1.47 0.47 -0.54 0.00 0.00 174.62 176.07 3k5n n ASP 28 N -1.18 0.00 -0.60 3.99 9.92 -1.26 -1.86 116.55 125.56 3k5n n ASP 28 Ca 0.04 0.42 0.07 0.00 -0.53 0.00 0.00 54.79 54.78 3k5n n ASP 28 Cb 0.64 -0.46 0.18 0.00 -0.64 0.00 0.00 41.12 40.84 3k5n n ASP 28 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3k5n n ASN 29 N -1.46 3.14 0.00 -2.24 3.02 -1.26 -5.06 115.26 111.40 3k5n n ASN 29 Ca 0.04 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 3k5n n ASN 29 Cb 0.17 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3k5n n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k5n n GLY 30 N -0.29 -0.81 3.82 7.41 0.00 -0.78 -5.00 105.19 109.54 3k5n n GLY 30 Ca 0.15 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3k5n n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k5n s PRO 31 N 0.00 3.82 -0.00 1.61 0.05 -1.26 -1.06 135.00 138.16 3k5n s PRO 31 Ca 0.00 1.13 0.00 0.00 0.05 0.00 0.00 61.00 62.18 3k5n s PRO 31 Cb 0.00 -2.11 -0.00 0.00 0.05 0.00 0.00 34.50 32.44 3k5n s PRO 31 CO 0.00 -0.39 -0.01 -1.17 0.05 0.00 0.00 177.00 175.48 3k5n s LEU 32 N -3.89 2.00 -0.14 -3.56 2.96 -0.70 -4.91 118.68 110.44 3k5n s LEU 32 Ca 0.62 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3k5n s LEU 32 Cb -0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 3k5n s LEU 32 CO 0.27 0.01 0.01 -1.58 -1.32 0.00 0.00 176.35 173.74 3k5n s GLN 33 N -0.02 3.56 -0.04 1.98 0.74 -1.26 -0.32 119.66 124.31 3k5n s GLN 33 Ca 0.00 -0.42 0.06 0.00 0.05 0.00 0.00 55.36 55.05 3k5n s GLN 33 Cb -0.00 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 3k5n s GLN 33 CO -0.00 0.40 -0.22 0.08 -0.55 0.00 0.00 175.29 175.00 3k5n s VAL 34 N -0.03 1.77 -0.06 1.34 1.01 -0.11 -1.32 120.40 122.99 3k5n s VAL 34 Ca 0.04 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3k5n s VAL 34 Cb -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3k5n s VAL 34 CO 0.02 0.50 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 3k5n s THR 35 N -0.28 1.34 0.44 3.92 2.01 -0.74 -1.47 115.64 120.87 3k5n s THR 35 Ca 0.02 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 3k5n s THR 35 Cb -0.11 -1.19 -0.09 0.00 0.01 0.00 0.00 72.50 71.13 3k5n s THR 35 CO 0.01 0.40 0.89 -0.76 -0.69 0.00 0.00 174.62 174.48 3k5n s LEU 36 N 0.42 3.81 1.05 4.42 1.02 0.64 -1.33 118.68 128.71 3k5n s LEU 36 Ca -0.12 1.47 -0.13 0.00 0.02 0.00 0.00 54.13 55.36 3k5n s LEU 36 Cb -0.15 -4.35 0.15 0.00 0.02 0.00 0.00 46.19 41.87 3k5n s LEU 36 CO 0.04 -0.43 0.66 0.00 0.02 0.00 0.00 176.35 176.64 3k5n n ALA 37 N -1.10 -2.64 -1.12 4.21 0.00 -1.25 -4.45 120.51 114.16 3k5n n ALA 37 Ca 0.05 -0.92 -0.34 0.00 0.00 0.00 0.00 53.44 52.23 3k5n n ALA 37 Cb 0.54 -1.89 0.12 0.00 0.00 0.00 0.00 19.45 18.22 3k5n n ALA 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k5n n PRO 38 N -3.34 0.18 -4.33 0.00 -0.02 -1.26 -4.65 135.00 121.58 3k5n n PRO 38 Ca 0.05 0.13 -0.18 0.00 -2.02 0.00 0.00 63.50 61.49 3k5n n PRO 38 Cb 0.55 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3k5n n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k5n s GLN 39 N -3.88 1.29 0.11 -0.52 -1.52 -1.14 -4.98 119.66 109.03 3k5n s GLN 39 Ca 0.71 -1.56 0.10 0.00 -1.95 0.00 0.00 55.36 52.66 3k5n s GLN 39 Cb -0.30 -1.07 -0.04 0.00 -0.22 0.00 0.00 33.01 31.39 3k5n s GLN 39 CO 0.53 0.18 -0.21 -1.21 -0.25 0.00 0.00 175.29 174.32 3k5n s GLU 40 N -3.61 1.67 -0.13 2.91 2.02 -1.26 -4.00 118.70 116.30 3k5n s GLU 40 Ca 0.21 -1.22 -0.04 0.00 0.02 0.00 0.00 54.97 53.94 3k5n s GLU 40 Cb -0.01 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3k5n s GLU 40 CO 0.06 0.48 0.03 -1.12 0.02 0.00 0.00 175.26 174.73 3k5n s SER 41 N -2.03 5.45 0.11 -0.19 0.01 -0.79 -4.93 113.70 111.33 3k5n s SER 41 Ca 0.16 0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.64 3k5n s SER 41 Cb -0.10 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 3k5n s SER 41 CO 0.08 0.30 -0.20 0.54 0.41 0.00 0.00 173.24 174.37 3k5n s VAL 42 N -0.39 1.70 0.03 3.43 0.11 -1.26 -0.99 120.40 123.02 3k5n s VAL 42 Ca 0.08 -1.59 -0.06 0.00 -2.93 0.00 0.00 61.98 57.48 3k5n s VAL 42 Cb -0.12 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.14 3k5n s VAL 42 CO 0.02 -0.11 0.11 0.00 -3.33 0.00 0.00 175.10 171.79 3k5n s ALA 43 N -1.31 -0.16 0.03 1.54 0.00 -0.94 -4.61 121.76 116.31 3k5n s ALA 43 Ca 0.07 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.70 3k5n s ALA 43 Cb -0.09 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3k5n s ALA 43 CO 0.04 -0.28 -0.16 -0.06 0.00 0.00 0.00 175.76 175.31 3k5n s PHE 44 N -2.15 2.61 0.01 0.00 0.08 -0.14 -0.10 117.98 118.29 3k5n s PHE 44 Ca -0.09 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.78 3k5n s PHE 44 Cb -0.04 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3k5n s PHE 44 CO -0.02 0.27 -0.12 0.42 -0.10 0.00 0.00 175.22 175.66 3k5n s ILE 45 N -0.93 0.93 0.10 0.64 1.01 0.40 -0.00 121.20 123.35 3k5n s ILE 45 Ca 0.15 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3k5n s ILE 45 Cb -0.11 -0.81 -0.09 0.00 0.01 0.00 0.00 42.46 41.47 3k5n s ILE 45 CO 0.05 0.16 1.70 -2.84 0.00 0.00 0.00 174.94 174.02 3k5n s PRO 46 N -0.54 4.18 0.26 2.79 0.02 -1.25 0.22 135.00 140.67 3k5n s PRO 46 Ca 0.03 2.43 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 3k5n s PRO 46 Cb -0.05 -3.52 0.53 0.00 0.02 0.00 0.00 34.50 31.48 3k5n s PRO 46 CO 0.00 -0.75 1.64 0.00 -0.33 0.00 0.00 177.00 177.55 3k5n h ALA 47 N 8.17 0.95 -0.06 -1.55 0.00 -0.45 0.35 119.26 126.67 3k5n h ALA 47 Ca -0.44 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3k5n h ALA 47 Cb 1.21 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3k5n h ALA 47 CO 0.93 -0.44 0.13 0.38 0.00 0.00 0.00 179.25 180.25 3k5n h ASP 48 N 0.13 0.00 -0.13 0.00 3.04 -1.88 0.25 116.42 117.84 3k5n h ASP 48 Ca 0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.25 3k5n h ASP 48 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 3k5n h ASP 48 CO -0.68 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 176.52 3k5n n GLN 49 N -3.36 2.01 -0.10 4.15 6.02 0.12 -4.40 117.38 121.82 3k5n n GLN 49 Ca -0.01 -1.49 -0.09 0.00 -0.01 0.00 0.00 57.00 55.39 3k5n n GLN 49 Cb 0.21 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 3k5n n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k5n h VAL 50 N 3.32 1.11 -1.01 5.09 2.07 -0.38 -2.52 116.25 123.93 3k5n h VAL 50 Ca 0.00 -0.25 0.24 0.00 0.82 0.00 0.00 66.70 67.51 3k5n h VAL 50 Cb 0.72 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 3k5n h VAL 50 CO 0.00 0.11 0.63 -0.65 0.02 0.00 0.00 177.57 177.67 3k5n h PRO 51 N 0.43 0.53 0.00 1.57 0.11 -1.77 0.30 132.00 133.18 3k5n h PRO 51 Ca 0.12 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 3k5n h PRO 51 Cb -0.00 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3k5n h PRO 51 CO -0.02 0.35 -0.55 -0.09 -0.21 0.00 0.00 178.00 177.48 3k5n h ARG 52 N 0.55 0.00 -0.24 1.05 2.43 -1.77 -2.44 114.38 113.95 3k5n h ARG 52 Ca 0.60 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.76 3k5n h ARG 52 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3k5n h ARG 52 CO -0.36 0.55 0.14 0.00 -1.51 0.00 0.00 179.97 178.79 3k5n h ALA 53 N 1.45 0.31 -0.48 2.80 0.00 -0.16 -2.03 119.26 121.14 3k5n h ALA 53 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k5n h ALA 53 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3k5n h ALA 53 CO 0.07 -0.17 0.12 1.96 0.00 0.00 0.00 179.25 181.23 3k5n h GLN 54 N 0.29 0.73 -0.58 0.00 4.20 -1.22 -0.61 115.11 117.92 3k5n h GLN 54 Ca 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3k5n h GLN 54 Cb 0.04 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3k5n h GLN 54 CO -0.02 0.67 0.27 1.25 -0.67 0.00 0.00 178.83 180.33 3k5n h HIS 55 N 0.71 0.84 0.00 2.96 2.76 -1.12 -2.01 115.15 119.29 3k5n h HIS 55 Ca 0.16 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 3k5n h HIS 55 Cb 0.27 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3k5n h HIS 55 CO 0.01 0.65 -0.44 0.82 -1.30 0.00 0.00 177.93 177.67 3k5n h ILE 56 N 0.79 1.01 -0.85 6.26 2.04 -0.67 -2.78 117.51 123.31 3k5n h ILE 56 Ca 0.20 -1.71 -0.57 0.00 1.00 0.00 0.00 64.86 63.78 3k5n h ILE 56 Cb 0.13 2.01 -0.31 0.00 -0.74 0.00 0.00 36.82 37.91 3k5n h ILE 56 CO -0.02 0.43 0.29 0.18 0.00 0.00 0.00 178.15 179.03 3k5n n LEU 57 N -3.57 6.44 -4.70 1.44 4.77 -0.30 -4.98 117.00 116.09 3k5n n LEU 57 Ca -0.00 -4.27 -0.42 0.00 -0.03 0.00 0.00 56.01 51.28 3k5n n LEU 57 Cb 0.55 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3k5n n LEU 57 CO 0.38 1.57 1.43 -1.10 -1.33 0.00 0.00 177.39 178.34 3k5n s GLN 58 N -3.64 4.14 0.00 3.23 -1.52 -0.77 -2.35 119.66 118.75 3k5n s GLN 58 Ca 0.58 2.57 0.00 0.00 -1.95 0.00 0.00 55.36 56.56 3k5n s GLN 58 Cb 0.47 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 3k5n s GLN 58 CO 0.02 -0.81 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 3k5n n GLY 59 N 4.14 2.62 3.84 3.09 0.00 -1.26 -5.00 105.19 112.62 3k5n n GLY 59 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3k5n n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k5n s GLU 60 N -0.00 3.03 0.18 1.61 2.56 -0.99 -5.05 118.70 120.04 3k5n s GLU 60 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 54.97 55.65 3k5n s GLU 60 Cb 0.00 -2.01 0.02 0.00 2.00 0.00 0.00 34.13 34.15 3k5n s GLU 60 CO 0.00 -1.00 0.48 -1.14 -0.56 0.00 0.00 175.26 173.03 3k5n s GLN 61 N -5.11 1.32 0.00 4.30 2.00 -1.26 -4.93 119.66 115.98 3k5n s GLN 61 Ca 0.57 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 53.04 3k5n s GLN 61 Cb -0.13 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.17 3k5n s GLN 61 CO 0.54 -0.55 0.00 0.41 -0.50 0.00 0.00 175.29 175.20 3k5n n GLY 62 N -0.31 1.76 3.40 2.59 0.00 -1.26 -5.06 105.19 106.31 3k5n n GLY 62 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3k5n n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3k5n n PHE 63 N -0.79 -1.93 -3.49 1.61 1.16 -1.26 -2.35 117.46 110.41 3k5n n PHE 63 Ca 0.00 -1.50 -0.15 0.00 -1.87 0.00 0.00 57.45 53.93 3k5n n PHE 63 Cb 0.00 0.75 -0.04 0.00 -1.61 0.00 0.00 39.48 38.57 3k5n n PHE 63 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3k5n s ARG 64 N -2.07 1.09 -0.14 3.97 1.70 -0.52 -4.96 118.95 118.03 3k5n s ARG 64 Ca 0.16 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.42 3k5n s ARG 64 Cb -0.04 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3k5n s ARG 64 CO 0.09 -0.40 -0.22 -0.51 -1.08 0.00 0.00 175.30 173.18 3k5n s LEU 65 N -1.78 2.14 0.05 -1.89 1.43 -1.26 -0.01 118.68 117.36 3k5n s LEU 65 Ca -0.05 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 3k5n s LEU 65 Cb -0.00 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3k5n s LEU 65 CO 0.01 0.09 -0.17 -0.89 0.23 0.00 0.00 176.35 175.61 3k5n s THR 66 N 0.78 1.38 -0.45 5.49 2.01 -0.72 -4.93 115.64 119.21 3k5n s THR 66 Ca -0.08 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 60.46 3k5n s THR 66 Cb -0.16 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.14 3k5n s THR 66 CO -0.01 0.03 1.06 -2.84 -0.69 0.00 0.00 174.62 172.17 3k5n s PRO 67 N -1.33 3.72 0.63 4.92 0.02 -1.26 0.41 135.00 142.10 3k5n s PRO 67 Ca 0.04 0.52 -0.06 0.00 0.02 0.00 0.00 61.00 61.51 3k5n s PRO 67 Cb -0.09 -3.89 0.03 0.00 0.02 0.00 0.00 34.50 30.58 3k5n s PRO 67 CO 0.02 -1.25 0.94 -0.51 -0.33 0.00 0.00 177.00 175.86 3k5n s LEU 68 N 4.11 3.09 -0.50 -5.54 2.01 -0.90 -4.93 118.68 116.01 3k5n s LEU 68 Ca 0.44 0.60 0.02 0.00 0.01 0.00 0.00 54.13 55.21 3k5n s LEU 68 Cb -0.09 -3.37 0.53 0.00 0.01 0.00 0.00 46.19 43.27 3k5n s LEU 68 CO 0.28 -1.25 1.82 0.00 1.01 0.00 0.00 176.35 178.20 3k5n n ALA 69 N -2.70 5.67 -2.49 4.21 0.00 -1.26 -4.60 120.51 119.34 3k5n n ALA 69 Ca 0.06 -3.29 -0.24 0.00 0.00 0.00 0.00 53.44 49.97 3k5n n ALA 69 Cb 0.59 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 3k5n n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5n s LEU 70 N -3.55 2.66 0.08 0.00 1.43 -1.26 -4.88 118.68 113.15 3k5n s LEU 70 Ca 0.58 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3k5n s LEU 70 Cb 0.47 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3k5n s LEU 70 CO 0.03 0.03 -0.07 -1.59 0.23 0.00 0.00 176.35 174.98 3k5n s LYS 71 N -3.53 0.75 0.88 1.70 -2.85 -0.38 -2.41 119.74 113.90 3k5n s LYS 71 Ca 0.30 -1.18 -0.12 0.00 -1.00 0.00 0.00 55.97 53.97 3k5n s LYS 71 Cb -0.05 -0.22 0.20 0.00 -2.06 0.00 0.00 37.83 35.70 3k5n s LYS 71 CO 0.16 -0.00 1.20 -0.40 0.10 0.00 0.00 175.35 176.41 3k5n n ASP 72 N 0.36 0.36 0.25 0.03 5.68 -0.36 -2.10 116.55 120.77 3k5n n ASP 72 Ca -0.15 -1.60 0.17 0.00 -0.50 0.00 0.00 54.79 52.71 3k5n n ASP 72 Cb 0.59 -0.89 0.84 0.00 -1.14 0.00 0.00 41.12 40.51 3k5n n ASP 72 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3k5n h PHE 73 N -1.48 0.00 -0.02 2.11 -1.00 -1.89 0.40 116.94 115.06 3k5n h PHE 73 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3k5n h PHE 73 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 3k5n h PHE 73 CO 0.00 0.00 -0.12 0.72 -1.61 0.00 0.00 178.31 177.30 3k5n n HIS 74 N -2.71 0.00 -0.93 -0.55 8.25 -1.26 -4.93 115.22 113.08 3k5n n HIS 74 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3k5n n HIS 74 Cb 0.12 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3k5n n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k5n n ARG 75 N 0.35 0.00 -2.48 -0.41 1.74 0.14 -5.00 116.66 110.99 3k5n n ARG 75 Ca 0.15 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 3k5n n ARG 75 Cb 0.45 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.28 3k5n n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k5n s GLN 76 N -0.07 4.54 0.55 5.56 2.00 -1.26 -4.71 119.66 126.26 3k5n s GLN 76 Ca 0.00 1.76 -0.20 0.00 -2.00 0.00 0.00 55.36 54.92 3k5n s GLN 76 Cb 0.00 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.70 3k5n s GLN 76 CO 0.00 0.13 1.18 -2.14 -0.50 0.00 0.00 175.29 173.96 3k5n s PRO 77 N -1.65 3.29 0.34 1.67 0.02 -1.26 -1.22 135.00 136.18 3k5n s PRO 77 Ca 0.47 1.75 0.09 0.00 0.02 0.00 0.00 61.00 63.33 3k5n s PRO 77 Cb -0.30 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 3k5n s PRO 77 CO 0.39 -0.93 0.09 0.14 -0.33 0.00 0.00 177.00 176.35 3k5n s VAL 78 N -1.64 2.89 0.10 3.83 -7.23 -1.01 0.26 120.40 117.60 3k5n s VAL 78 Ca 0.73 -1.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.20 3k5n s VAL 78 Cb -0.28 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 3k5n s VAL 78 CO 0.31 -0.19 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.35 3k5n s TYR 79 N -2.46 2.35 -0.19 2.82 4.12 0.58 -2.13 117.35 122.45 3k5n s TYR 79 Ca 0.36 -0.37 -0.04 0.00 0.02 0.00 0.00 57.07 57.04 3k5n s TYR 79 Cb -0.02 -1.32 -0.02 0.00 -1.52 0.00 0.00 41.96 39.09 3k5n s TYR 79 CO 0.21 0.27 -0.03 0.20 0.02 0.00 0.00 175.55 176.23 3k5n s GLY 80 N -1.78 1.68 -0.26 0.71 0.00 0.17 0.15 107.32 107.99 3k5n s GLY 80 Ca 0.14 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 43.67 3k5n s GLY 80 CO 0.05 0.18 0.66 -2.27 0.00 0.00 0.00 173.10 171.71 3k5n s LEU 81 N 0.91 4.07 -0.18 0.66 2.96 0.85 -1.75 118.68 126.20 3k5n s LEU 81 Ca 0.00 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3k5n s LEU 81 Cb -0.14 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 3k5n s LEU 81 CO 0.01 -0.40 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.25 3k5n s TYR 82 N 2.56 2.91 0.16 5.38 2.02 0.98 -2.20 117.35 129.16 3k5n s TYR 82 Ca 0.27 -0.84 0.10 0.00 -0.37 0.00 0.00 57.07 56.23 3k5n s TYR 82 Cb -0.15 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 3k5n s TYR 82 CO 0.09 -0.42 -0.18 0.00 -1.57 0.00 0.00 175.55 173.47 3k5n h ARG 84 N 3.29 0.77 -5.61 0.00 2.47 -1.79 -2.10 114.38 111.41 3k5n h ARG 84 Ca -0.48 -0.41 -0.68 0.00 -1.26 0.00 0.00 59.98 57.14 3k5n h ARG 84 Cb 1.19 0.02 -0.32 0.00 -1.65 0.00 0.00 29.97 29.21 3k5n h ARG 84 CO 0.49 1.04 -0.88 0.00 0.56 0.00 0.00 179.97 181.18 3k5n s ALA 85 N -4.29 2.17 0.34 0.04 0.00 -1.26 -4.01 121.76 114.76 3k5n s ALA 85 Ca -0.09 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.90 3k5n s ALA 85 Cb 0.12 -0.76 0.62 0.00 0.00 0.00 0.00 23.12 23.10 3k5n s ALA 85 CO 0.86 0.34 1.92 1.25 0.00 0.00 0.00 175.76 180.13 3k5n h HIS 86 N 6.45 0.63 0.00 0.00 2.76 -1.92 -2.01 115.15 121.05 3k5n h HIS 86 Ca -0.24 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.87 3k5n h HIS 86 Cb 1.21 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 3k5n h HIS 86 CO 0.45 0.52 -0.13 0.00 -1.30 0.00 0.00 177.93 177.47 3k5n h ARG 87 N 0.61 0.00 0.10 5.26 3.08 -1.98 0.33 114.38 121.79 3k5n h ARG 87 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 3k5n h ARG 87 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.26 3k5n h ARG 87 CO -0.01 0.13 -0.84 -0.56 -1.07 0.00 0.00 179.97 177.62 3k5n h GLN 88 N 0.00 0.39 -0.51 0.04 3.07 -1.80 -2.44 115.11 113.85 3k5n h GLN 88 Ca -0.00 -0.55 0.02 0.00 0.09 0.00 0.00 58.65 58.20 3k5n h GLN 88 Cb 0.50 0.19 -0.03 0.00 0.08 0.00 0.00 27.48 28.21 3k5n h GLN 88 CO 0.02 1.23 0.32 1.25 0.09 0.00 0.00 178.83 181.73 3k5n h LEU 89 N -0.19 0.52 -1.29 0.06 5.85 -0.85 0.66 115.31 120.07 3k5n h LEU 89 Ca -0.13 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3k5n h LEU 89 Cb 1.61 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 3k5n h LEU 89 CO 0.16 0.37 0.52 0.24 -0.34 0.00 0.00 178.44 179.40 3k5n h MET 90 N 0.64 0.83 -0.05 1.25 2.86 -0.41 -1.35 114.93 118.69 3k5n h MET 90 Ca 0.20 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3k5n h MET 90 Cb -0.01 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 3k5n h MET 90 CO -0.08 0.55 -0.02 -0.97 1.06 0.00 0.00 176.91 177.45 3k5n h ASN 91 N 0.85 0.10 -0.32 1.22 -1.24 -0.68 -3.27 115.58 112.25 3k5n h ASN 91 Ca 0.35 -0.40 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 3k5n h ASN 91 Cb 0.27 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 3k5n h ASN 91 CO -0.13 0.47 0.12 1.88 -1.29 0.00 0.00 177.43 178.49 3k5n h TYR 92 N -0.28 0.49 -1.01 0.67 0.05 0.11 -2.46 116.97 114.55 3k5n h TYR 92 Ca 0.01 -0.04 0.24 0.00 0.05 0.00 0.00 58.73 58.99 3k5n h TYR 92 Cb 0.43 -0.15 -0.09 0.00 1.01 0.00 0.00 36.73 37.94 3k5n h TYR 92 CO 0.06 0.48 0.64 1.05 -1.05 0.00 0.00 178.16 179.35 3k5n h GLU 93 N 0.36 0.45 -0.46 4.88 -0.00 -1.37 1.27 114.58 119.71 3k5n h GLU 93 Ca 0.11 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.36 59.36 3k5n h GLU 93 Cb 0.20 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 28.84 3k5n h GLU 93 CO -0.01 0.30 -0.03 1.57 -0.00 0.00 0.00 179.01 180.84 3k5n h LYS 94 N 0.46 0.83 -0.16 1.06 2.10 -1.49 0.71 116.57 120.07 3k5n h LYS 94 Ca 0.57 -0.28 -0.01 0.00 -2.00 0.00 0.00 60.65 58.93 3k5n h LYS 94 Cb 1.33 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3k5n h LYS 94 CO -0.29 0.90 0.07 0.00 -2.00 0.00 0.00 179.45 178.13 3k5n h ARG 95 N 0.67 0.23 -0.51 0.07 3.08 0.15 0.14 114.38 118.22 3k5n h ARG 95 Ca 0.13 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3k5n h ARG 95 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3k5n h ARG 95 CO 0.03 0.28 0.07 -0.07 -1.07 0.00 0.00 179.97 179.21 3k5n h LEU 96 N 0.13 0.76 -0.39 3.04 3.38 0.12 0.82 115.31 123.17 3k5n h LEU 96 Ca 0.05 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 3k5n h LEU 96 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3k5n h LEU 96 CO -0.01 0.79 -0.45 -0.09 0.09 0.00 0.00 178.44 178.77 3k5n h ARG 97 N 0.77 0.88 0.00 1.13 2.43 0.74 0.11 114.38 120.44 3k5n h ARG 97 Ca 0.16 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3k5n h ARG 97 Cb 0.36 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3k5n h ARG 97 CO 0.01 1.14 0.00 0.39 -1.51 0.00 0.00 179.97 180.00 3k5n n GLU 98 N -4.03 0.07 -0.35 0.20 1.02 0.47 -2.80 120.64 115.22 3k5n n GLU 98 Ca -0.03 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 3k5n n GLU 98 Cb 0.57 -1.61 0.25 0.00 -0.02 0.00 0.00 31.44 30.64 3k5n n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k5n n GLY 99 N 0.83 2.88 0.96 0.62 0.00 0.25 -4.97 105.19 105.76 3k5n n GLY 99 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3k5n n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5n n GLY 100 N 0.75 0.74 3.60 -0.02 0.00 -1.09 -5.01 105.19 104.17 3k5n n GLY 100 Ca 0.19 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3k5n n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5n s VAL 101 N -2.00 3.68 -0.27 1.61 1.01 0.36 -5.03 120.40 119.77 3k5n s VAL 101 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3k5n s VAL 101 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3k5n s VAL 101 CO 0.00 0.36 0.39 -0.89 0.00 0.00 0.00 175.10 174.95 3k5n s THR 102 N -1.03 5.17 0.05 3.92 2.01 -1.26 -3.92 115.64 120.57 3k5n s THR 102 Ca 0.18 0.60 0.09 0.00 0.31 0.00 0.00 61.69 62.87 3k5n s THR 102 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3k5n s THR 102 CO 0.09 0.16 -0.25 0.68 -0.69 0.00 0.00 174.62 174.60 3k5n s VAL 103 N 2.05 2.01 0.25 3.82 -7.23 -1.26 -3.96 120.40 116.09 3k5n s VAL 103 Ca 0.16 -1.34 0.12 0.00 -1.81 0.00 0.00 61.98 59.10 3k5n s VAL 103 Cb -0.16 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3k5n s VAL 103 CO 0.10 0.32 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.69 3k5n s TYR 104 N -0.80 2.31 -1.49 2.82 2.02 1.00 -4.76 117.35 118.45 3k5n s TYR 104 Ca 0.11 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.35 3k5n s TYR 104 Cb -0.10 -1.05 0.07 0.00 -0.40 0.00 0.00 41.96 40.48 3k5n s TYR 104 CO 0.02 0.64 0.94 0.39 -1.57 0.00 0.00 175.55 175.97 3k5n n GLU 105 N -0.31 -5.65 -0.31 -0.62 1.02 -1.26 -0.97 120.64 112.54 3k5n n GLU 105 Ca -0.08 0.65 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 3k5n n GLU 105 Cb 0.58 -5.55 0.28 0.00 -0.02 0.00 0.00 31.44 26.74 3k5n n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k5n n ALA 106 N -4.53 2.37 0.75 0.62 0.00 -1.26 -3.63 120.51 114.82 3k5n n ALA 106 Ca 0.02 -1.21 0.11 0.00 0.00 0.00 0.00 53.44 52.36 3k5n n ALA 106 Cb 0.54 -0.87 0.12 0.00 0.00 0.00 0.00 19.45 19.24 3k5n n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k5n n ASP 107 N 1.52 2.94 -4.61 0.00 5.68 -1.26 -4.87 116.55 115.96 3k5n n ASP 107 Ca 0.22 -1.92 -0.39 0.00 -0.50 0.00 0.00 54.79 52.20 3k5n n ASP 107 Cb 0.60 -0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.44 3k5n n ASP 107 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3k5n s VAL 108 N -1.71 5.16 0.57 2.12 1.01 -1.24 -5.06 120.40 121.26 3k5n s VAL 108 Ca 0.28 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 3k5n s VAL 108 Cb 0.19 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3k5n s VAL 108 CO 0.28 0.15 1.03 -0.13 0.00 0.00 0.00 175.10 176.43 3k5n s ARG 109 N 2.07 3.54 0.17 2.72 1.81 -1.26 -4.89 118.95 123.11 3k5n s ARG 109 Ca 0.16 1.09 -0.19 0.00 -1.72 0.00 0.00 55.73 55.06 3k5n s ARG 109 Cb -0.16 -2.07 0.10 0.00 -0.45 0.00 0.00 34.95 32.37 3k5n s ARG 109 CO 0.10 -0.62 1.63 -1.35 -0.68 0.00 0.00 175.30 174.38 3k5n h PRO 110 N 0.53 -0.12 -0.36 3.54 0.11 -1.98 -2.13 132.00 131.59 3k5n h PRO 110 Ca -0.47 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3k5n h PRO 110 Cb 1.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3k5n h PRO 110 CO 0.59 -0.08 0.17 -1.35 -0.21 0.00 0.00 178.00 177.12 3k5n h PRO 111 N -0.13 0.35 -0.18 1.05 0.11 -1.95 -2.84 132.00 128.42 3k5n h PRO 111 Ca 0.20 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 3k5n h PRO 111 Cb 0.43 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3k5n h PRO 111 CO -0.48 0.23 -0.01 0.93 -0.21 0.00 0.00 178.00 178.46 3k5n h GLU 112 N 0.36 0.27 -0.51 1.05 3.07 -1.87 -2.78 114.58 114.17 3k5n h GLU 112 Ca 0.15 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 3k5n h GLU 112 Cb 0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3k5n h GLU 112 CO -0.11 0.30 -0.08 -0.09 -1.40 0.00 0.00 179.01 177.63 3k5n h ARG 113 N 0.26 0.92 -0.10 2.33 2.43 -1.14 0.19 114.38 119.27 3k5n h ARG 113 Ca 0.06 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 3k5n h ARG 113 Cb 0.20 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3k5n h ARG 113 CO 0.01 0.96 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.50 3k5n h TYR 114 N 0.83 0.19 0.59 2.20 3.20 -1.46 -2.57 116.97 119.94 3k5n h TYR 114 Ca 0.14 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3k5n h TYR 114 Cb 0.61 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.83 3k5n h TYR 114 CO 0.04 0.43 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.63 3k5n h LEU 115 N -0.11 -0.67 -0.85 2.82 4.07 -1.39 -2.90 115.31 116.28 3k5n h LEU 115 Ca 0.03 -0.03 0.22 0.00 0.08 0.00 0.00 57.88 58.17 3k5n h LEU 115 Cb 0.36 0.17 -0.14 0.00 1.08 0.00 0.00 40.66 42.13 3k5n h LEU 115 CO 0.01 -0.35 0.13 -0.03 -1.08 0.00 0.00 178.44 177.11 3k5n h MET 116 N -0.99 0.14 -0.01 1.13 4.05 -0.69 0.25 114.93 118.82 3k5n h MET 116 Ca -0.08 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3k5n h MET 116 Cb 0.66 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3k5n h MET 116 CO 0.13 0.09 -0.01 0.39 0.23 0.00 0.00 176.91 177.75 3k5n n GLU 117 N -5.30 1.41 -0.07 0.39 -0.58 -0.97 -2.63 120.64 112.88 3k5n n GLU 117 Ca 0.19 -0.63 0.07 0.00 -0.42 0.00 0.00 57.16 56.37 3k5n n GLU 117 Cb 0.62 -1.49 0.11 0.00 -0.57 0.00 0.00 31.44 30.11 3k5n n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k5n n ARG 118 N -0.24 1.62 -1.40 3.49 3.00 -0.06 -4.91 116.66 118.15 3k5n n ARG 118 Ca 0.20 -1.65 -0.13 0.00 -0.01 0.00 0.00 57.85 56.26 3k5n n ARG 118 Cb 0.28 -1.31 -0.06 0.00 0.00 0.00 0.00 32.46 31.37 3k5n n ARG 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3k5n n PHE 119 N 0.85 -0.01 -2.64 -1.55 3.72 -0.83 -4.58 117.46 112.42 3k5n n PHE 119 Ca 0.11 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 3k5n n PHE 119 Cb 0.41 -2.42 -0.03 0.00 -0.94 0.00 0.00 39.48 36.50 3k5n n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k5n s ILE 120 N -2.50 4.70 0.00 4.37 1.01 -0.39 -4.85 121.20 123.54 3k5n s ILE 120 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3k5n s ILE 120 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3k5n s ILE 120 CO 0.00 -0.62 0.00 1.07 0.00 0.00 0.00 174.94 175.39 3k5n n THR 121 N -1.50 0.00 0.00 2.92 5.66 -1.26 -4.26 114.28 115.84 3k5n n THR 121 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3k5n n THR 121 Cb 0.54 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 3k5n n THR 121 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3k5n n SER 122 N -0.66 2.41 -4.78 1.09 7.64 -1.26 -4.77 113.62 113.29 3k5n n SER 122 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 3k5n n SER 122 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3k5n n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k5n s PRO 123 N -1.65 4.31 0.21 1.43 0.02 -1.26 -0.68 135.00 137.38 3k5n s PRO 123 Ca 0.00 1.46 -0.23 0.00 0.02 0.00 0.00 61.00 62.25 3k5n s PRO 123 Cb 0.00 -2.63 0.04 0.00 0.02 0.00 0.00 34.50 31.94 3k5n s PRO 123 CO 0.00 -0.00 0.81 0.14 -0.33 0.00 0.00 177.00 177.62 3k5n s VAL 124 N -1.65 0.00 -0.01 3.83 -7.23 -0.92 -3.32 120.40 111.10 3k5n s VAL 124 Ca 0.55 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.98 3k5n s VAL 124 Cb -0.21 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3k5n s VAL 124 CO 0.26 0.00 -0.11 0.26 -0.31 0.00 0.00 175.10 175.21 3k5n s TRP 125 N -3.64 2.78 -0.07 2.82 0.52 -0.37 -0.71 118.94 120.27 3k5n s TRP 125 Ca 0.11 -0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.13 3k5n s TRP 125 Cb -0.04 -1.60 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 3k5n s TRP 125 CO 0.03 0.30 -0.07 0.54 0.02 0.00 0.00 176.95 177.77 3k5n s VAL 126 N -0.89 0.82 0.03 4.03 0.11 0.40 -2.50 120.40 122.41 3k5n s VAL 126 Ca 0.15 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3k5n s VAL 126 Cb -0.11 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 3k5n s VAL 126 CO 0.04 0.30 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.28 3k5n s GLU 127 N 1.17 1.59 0.00 1.54 2.02 -1.05 -2.13 118.70 121.84 3k5n s GLU 127 Ca -0.06 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 53.96 3k5n s GLU 127 Cb -0.14 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.40 3k5n s GLU 127 CO -0.02 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3k5n n GLY 128 N 1.96 -1.23 3.62 -1.39 0.00 -1.26 -1.57 105.19 105.32 3k5n n GLY 128 Ca -0.17 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 3k5n n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k5n s ASP 129 N -2.10 5.77 0.27 1.61 1.01 -1.14 -3.68 116.67 118.42 3k5n s ASP 129 Ca 0.00 0.06 -0.30 0.00 0.71 0.00 0.00 52.55 53.02 3k5n s ASP 129 Cb 0.00 -2.02 -0.09 0.00 1.01 0.00 0.00 42.92 41.82 3k5n s ASP 129 CO 0.00 0.11 1.07 -0.32 0.21 0.00 0.00 175.17 176.24 3k5n s MET 130 N 0.80 4.68 -0.28 8.23 -2.45 -1.26 -2.25 119.30 126.75 3k5n s MET 130 Ca 0.05 1.75 0.01 0.00 -1.25 0.00 0.00 55.69 56.26 3k5n s MET 130 Cb -0.13 -3.20 0.16 0.00 1.25 0.00 0.00 34.83 32.90 3k5n s MET 130 CO 0.02 0.26 0.41 -1.58 1.05 0.00 0.00 175.02 175.19 3k5n s HIS 131 N -1.16 -1.01 -0.48 4.11 5.04 0.16 -4.89 115.29 117.06 3k5n s HIS 131 Ca 0.44 0.43 0.00 0.00 -1.54 0.00 0.00 55.06 54.39 3k5n s HIS 131 Cb -0.31 -0.11 0.00 0.00 0.04 0.00 0.00 32.58 32.20 3k5n s HIS 131 CO 0.40 -0.95 0.00 0.09 -2.34 0.00 0.00 174.74 171.94 3k5n n ASN 132 N 5.36 -2.49 0.00 9.88 4.13 -1.26 -3.31 115.26 127.57 3k5n n ASN 132 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3k5n n ASN 132 Cb 0.50 -1.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.10 3k5n n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k5n n GLY 133 N -1.23 1.07 3.22 7.41 0.00 -1.26 -5.00 105.19 109.41 3k5n n GLY 133 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3k5n n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5n s THR 134 N -2.63 1.93 -0.87 2.61 2.01 -1.21 -4.36 115.64 113.12 3k5n s THR 134 Ca 0.00 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 3k5n s THR 134 Cb 0.00 -1.66 0.09 0.00 0.01 0.00 0.00 72.50 70.95 3k5n s THR 134 CO 0.00 0.54 1.16 -0.63 -0.69 0.00 0.00 174.62 175.00 3k5n s ILE 135 N 0.09 4.41 0.61 1.82 1.01 -0.44 -0.67 121.20 128.04 3k5n s ILE 135 Ca -0.10 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 3k5n s ILE 135 Cb -0.15 -4.82 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 3k5n s ILE 135 CO 0.05 -1.60 1.01 0.68 0.00 0.00 0.00 174.94 175.08 3k5n s VAL 136 N 3.66 4.72 -0.65 2.92 -7.23 -0.96 -1.79 120.40 121.07 3k5n s VAL 136 Ca 0.33 0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 61.23 3k5n s VAL 136 Cb -0.07 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 33.02 3k5n s VAL 136 CO -0.03 -1.12 0.65 0.59 -0.31 0.00 0.00 175.10 174.88 3k5n n ASN 137 N -2.71 -6.81 -4.45 4.85 4.13 -0.60 -2.87 115.26 106.80 3k5n n ASN 137 Ca 0.06 -0.17 -0.23 0.00 1.68 0.00 0.00 54.58 55.92 3k5n n ASN 137 Cb 0.54 -3.95 -0.10 0.00 -1.54 0.00 0.00 39.78 34.73 3k5n n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k5n s ALA 138 N -2.71 2.61 -0.13 5.41 0.00 -0.45 -3.35 121.76 123.14 3k5n s ALA 138 Ca 0.11 -1.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 3k5n s ALA 138 Cb -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.97 3k5n s ALA 138 CO 0.81 0.20 0.31 -0.98 0.00 0.00 0.00 175.76 176.09 3k5n s ARG 139 N -3.56 0.26 0.25 0.00 1.70 -0.61 -3.90 118.95 113.10 3k5n s ARG 139 Ca 0.29 0.65 0.09 0.00 -0.47 0.00 0.00 55.73 56.28 3k5n s ARG 139 Cb -0.03 -0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 3k5n s ARG 139 CO 0.13 -0.18 0.05 -0.51 -1.08 0.00 0.00 175.30 173.71 3k5n s LEU 140 N 1.45 3.37 0.10 -1.89 1.43 -1.26 -2.53 118.68 119.34 3k5n s LEU 140 Ca -0.08 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3k5n s LEU 140 Cb -0.10 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3k5n s LEU 140 CO -0.10 0.01 0.13 -1.59 0.23 0.00 0.00 176.35 175.03 3k5n s LYS 141 N -3.60 0.86 0.52 1.70 0.00 -1.04 -4.99 119.74 113.19 3k5n s LYS 141 Ca 0.31 -1.14 -0.23 0.00 0.00 0.00 0.00 55.97 54.91 3k5n s LYS 141 Cb -0.07 0.30 -0.06 0.00 0.00 0.00 0.00 37.83 38.00 3k5n s LYS 141 CO 0.21 -0.26 1.40 -2.30 0.00 0.00 0.00 175.35 174.40 3k5n n PRO 142 N -0.05 1.91 -5.12 1.78 -0.02 -1.26 -1.23 135.00 131.00 3k5n n PRO 142 Ca -0.12 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 3k5n n PRO 142 Cb 0.62 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 3k5n n PRO 142 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k5n s HIS 143 N -1.25 2.22 0.09 6.00 2.46 -1.21 -4.60 115.29 119.00 3k5n s HIS 143 Ca 0.68 -0.69 -0.16 0.00 0.47 0.00 0.00 55.06 55.36 3k5n s HIS 143 Cb -0.42 -1.47 -0.09 0.00 -0.13 0.00 0.00 32.58 30.47 3k5n s HIS 143 CO 0.52 -0.23 1.44 -1.00 -2.47 0.00 0.00 174.74 173.00 3k5n h PRO 144 N 6.21 0.61 0.00 2.88 0.13 -1.96 -3.41 132.00 136.45 3k5n h PRO 144 Ca -0.31 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3k5n h PRO 144 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3k5n h PRO 144 CO 0.47 0.87 -0.09 -0.40 -0.23 0.00 0.00 178.00 178.62 3k5n n ASP 145 N -4.39 0.81 -4.77 1.44 5.68 -1.26 -5.07 116.55 109.00 3k5n n ASP 145 Ca -0.04 -1.69 -0.40 0.00 -0.50 0.00 0.00 54.79 52.16 3k5n n ASP 145 Cb 0.40 -0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.27 3k5n n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3k5n s TYR 146 N -0.60 3.09 -0.08 2.11 5.04 -1.26 -4.99 117.35 120.65 3k5n s TYR 146 Ca 0.04 1.45 -0.04 0.00 -2.44 0.00 0.00 57.07 56.08 3k5n s TYR 146 Cb 0.03 -3.63 0.04 0.00 0.35 0.00 0.00 41.96 38.75 3k5n s TYR 146 CO 0.00 -1.72 0.19 1.03 -1.34 0.00 0.00 175.55 173.71 3k5n s ARG 147 N -1.80 0.13 0.70 4.97 1.81 -1.26 -4.79 118.95 118.70 3k5n s ARG 147 Ca 0.49 0.45 -0.11 0.00 -1.72 0.00 0.00 55.73 54.84 3k5n s ARG 147 Cb -0.39 -0.16 0.01 0.00 -0.45 0.00 0.00 34.95 33.96 3k5n s ARG 147 CO 0.51 -0.18 1.06 -1.25 -0.68 0.00 0.00 175.30 174.77 3k5n s PRO 148 N 1.32 2.94 -0.14 3.54 0.04 -1.26 -5.05 135.00 136.39 3k5n s PRO 148 Ca -0.08 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 3k5n s PRO 148 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3k5n s PRO 148 CO -0.07 -1.06 0.33 -2.14 0.04 0.00 0.00 177.00 174.11 3k5n s PRO 149 N -5.13 4.22 0.16 0.56 0.02 -1.26 -5.06 135.00 128.51 3k5n s PRO 149 Ca 0.58 0.18 0.07 0.00 0.02 0.00 0.00 61.00 61.85 3k5n s PRO 149 Cb -0.13 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 3k5n s PRO 149 CO 0.54 0.28 -0.14 -0.51 -0.33 0.00 0.00 177.00 176.84 3k5n s LEU 150 N 0.32 2.49 -0.12 -5.54 1.43 -1.26 -4.77 118.68 111.24 3k5n s LEU 150 Ca 0.19 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 3k5n s LEU 150 Cb -0.14 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.50 3k5n s LEU 150 CO 0.06 -0.18 -0.21 -0.54 0.23 0.00 0.00 176.35 175.71 3k5n s LYS 151 N -3.27 2.86 0.33 1.70 1.02 -1.26 -4.97 119.74 116.15 3k5n s LYS 151 Ca 0.16 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.42 3k5n s LYS 151 Cb -0.02 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3k5n s LYS 151 CO 0.04 0.04 0.39 -1.58 -0.92 0.00 0.00 175.35 173.33 3k5n s TRP 152 N 0.68 3.03 -0.03 3.18 0.51 -1.26 0.20 118.94 125.24 3k5n s TRP 152 Ca -0.11 -0.25 -0.00 0.00 -2.12 0.00 0.00 56.10 53.61 3k5n s TRP 152 Cb -0.16 -1.90 0.03 0.00 -0.81 0.00 0.00 33.47 30.63 3k5n s TRP 152 CO 0.02 0.09 0.02 0.54 -0.51 0.00 0.00 176.95 177.11 3k5n s VAL 153 N -2.23 0.07 -0.22 4.03 0.11 -0.92 -1.06 120.40 120.17 3k5n s VAL 153 Ca 0.43 0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.61 3k5n s VAL 153 Cb -0.08 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3k5n s VAL 153 CO 0.29 0.15 0.08 -0.55 -3.33 0.00 0.00 175.10 171.74 3k5n s SER 154 N 1.40 5.50 0.04 3.54 0.15 0.18 -1.52 113.70 122.99 3k5n s SER 154 Ca -0.05 -0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3k5n s SER 154 Cb -0.13 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 3k5n s SER 154 CO -0.03 0.06 -0.16 -0.51 1.20 0.00 0.00 173.24 173.81 3k5n s ILE 155 N 1.05 2.98 -0.00 6.45 2.07 -1.05 -0.14 121.20 132.55 3k5n s ILE 155 Ca 0.05 -1.12 -0.17 0.00 -1.41 0.00 0.00 60.65 58.00 3k5n s ILE 155 Cb -0.14 -2.27 0.03 0.00 0.13 0.00 0.00 42.46 40.21 3k5n s ILE 155 CO 0.03 0.33 0.35 -0.62 -1.91 0.00 0.00 174.94 173.13 3k5n s ASP 156 N -1.49 -0.24 0.04 4.50 3.68 -0.83 -4.72 116.67 117.61 3k5n s ASP 156 Ca 0.15 0.10 0.01 0.00 2.13 0.00 0.00 52.55 54.95 3k5n s ASP 156 Cb -0.11 0.35 -0.02 0.00 -1.45 0.00 0.00 42.92 41.69 3k5n s ASP 156 CO 0.06 -0.51 -0.06 0.27 0.13 0.00 0.00 175.17 175.07 3k5n s ILE 157 N -1.59 0.40 -0.07 4.11 -4.36 -1.26 -0.17 121.20 118.25 3k5n s ILE 157 Ca -0.11 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 3k5n s ILE 157 Cb -0.04 -0.54 -0.01 0.00 1.25 0.00 0.00 42.46 43.13 3k5n s ILE 157 CO 0.03 -0.44 -0.23 -1.61 0.24 0.00 0.00 174.94 172.93 3k5n s GLU 158 N -1.64 2.75 0.25 0.37 0.41 0.38 -4.98 118.70 116.24 3k5n s GLU 158 Ca -0.11 -0.87 0.05 0.00 -0.41 0.00 0.00 54.97 53.63 3k5n s GLU 158 Cb -0.09 -2.25 -0.05 0.00 -1.78 0.00 0.00 34.13 29.95 3k5n s GLU 158 CO -0.00 0.33 -0.04 -0.08 -0.49 0.00 0.00 175.26 174.97 3k5n s THR 159 N -0.02 1.38 0.91 3.63 -1.32 -1.26 0.04 115.64 119.00 3k5n s THR 159 Ca -0.07 -2.09 -0.12 0.00 -1.21 0.00 0.00 61.69 58.20 3k5n s THR 159 Cb -0.15 -2.37 0.14 0.00 -1.51 0.00 0.00 72.50 68.60 3k5n s THR 159 CO 0.05 -0.33 1.12 0.42 -2.21 0.00 0.00 174.62 173.67 3k5n s THR 160 N -3.19 2.17 0.45 5.08 -4.23 0.39 -4.80 115.64 111.52 3k5n s THR 160 Ca 0.28 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 61.03 3k5n s THR 160 Cb 0.04 -2.75 0.36 0.00 1.34 0.00 0.00 72.50 71.50 3k5n s THR 160 CO 0.10 -0.07 1.94 0.03 -0.54 0.00 0.00 174.62 176.08 3k5n h ARG 161 N -1.52 0.31 -0.10 3.99 3.08 -1.97 0.28 114.38 118.45 3k5n h ARG 161 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3k5n h ARG 161 Cb 1.32 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3k5n h ARG 161 CO 0.61 0.20 0.00 0.72 -1.07 0.00 0.00 179.97 180.43 3k5n n HIS 162 N -4.45 0.12 -0.35 3.04 8.25 -1.26 -4.90 115.22 115.67 3k5n n HIS 162 Ca 0.13 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3k5n n HIS 162 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3k5n n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k5n n GLY 163 N 1.06 0.80 3.77 -1.41 0.00 0.99 -5.02 105.19 105.38 3k5n n GLY 163 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3k5n n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k5n s GLU 164 N -0.58 3.87 -0.40 1.61 2.12 -1.26 -4.60 118.70 119.46 3k5n s GLU 164 Ca 0.00 2.06 -0.23 0.00 0.36 0.00 0.00 54.97 57.16 3k5n s GLU 164 Cb 0.00 -2.65 0.02 0.00 0.26 0.00 0.00 34.13 31.76 3k5n s GLU 164 CO 0.00 -0.55 0.78 -1.17 -0.54 0.00 0.00 175.26 173.78 3k5n s LEU 165 N -2.63 4.19 -0.09 2.70 2.96 -1.26 0.15 118.68 124.69 3k5n s LEU 165 Ca 0.59 0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 54.36 3k5n s LEU 165 Cb -0.36 -2.98 -0.24 0.00 0.50 0.00 0.00 46.19 43.11 3k5n s LEU 165 CO 0.45 -0.81 0.95 1.88 -1.32 0.00 0.00 176.35 177.50 3k5n h TYR 166 N 8.72 0.08 -2.34 5.38 0.05 -0.70 -3.47 116.97 124.68 3k5n h TYR 166 Ca -0.25 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.56 3k5n h TYR 166 Cb 1.09 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 38.67 3k5n h TYR 166 CO 0.79 0.87 0.43 0.00 -1.05 0.00 0.00 178.16 179.21 3k5n s ILE 168 N -2.97 1.48 -0.22 0.00 1.01 -0.41 -0.47 121.20 119.61 3k5n s ILE 168 Ca 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3k5n s ILE 168 Cb -0.01 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.19 3k5n s ILE 168 CO -0.08 0.43 -0.14 -0.83 0.00 0.00 0.00 174.94 174.32 3k5n s GLY 169 N 0.61 1.51 -0.22 6.18 0.00 0.76 0.47 107.32 116.64 3k5n s GLY 169 Ca -0.15 -1.50 -0.06 0.00 0.00 0.00 0.00 44.72 43.01 3k5n s GLY 169 CO 0.05 0.49 0.04 1.08 0.00 0.00 0.00 173.10 174.76 3k5n s LEU 170 N 1.21 3.45 -0.14 0.66 1.43 -0.95 -1.97 118.68 122.37 3k5n s LEU 170 Ca -0.03 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3k5n s LEU 170 Cb -0.17 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3k5n s LEU 170 CO -0.08 0.05 -0.06 -0.70 0.23 0.00 0.00 176.35 175.78 3k5n s GLU 171 N 1.10 1.47 0.00 1.70 2.12 0.80 -2.08 118.70 123.81 3k5n s GLU 171 Ca 0.03 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.96 3k5n s GLU 171 Cb -0.14 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.42 3k5n s GLU 171 CO 0.03 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 3k5n n GLY 172 N 4.91 -1.42 3.27 -1.50 0.00 -0.31 0.49 105.19 110.63 3k5n n GLY 172 Ca -0.12 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 3k5n n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5n n GLY 174 N -1.38 -0.41 3.18 0.00 0.00 -1.26 -4.96 105.19 100.37 3k5n n GLY 174 Ca -0.05 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3k5n n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k5n s GLN 175 N -6.55 0.57 -0.08 1.61 -0.21 -0.27 -5.12 119.66 109.61 3k5n s GLN 175 Ca 0.46 -0.28 -0.03 0.00 0.02 0.00 0.00 55.36 55.54 3k5n s GLN 175 Cb -0.23 0.25 0.04 0.00 1.00 0.00 0.00 33.01 34.06 3k5n s GLN 175 CO 0.85 -0.15 0.05 1.03 -2.12 0.00 0.00 175.29 174.96 3k5n s ARG 176 N -1.32 0.12 0.22 2.91 0.52 -1.26 -1.16 118.95 118.99 3k5n s ARG 176 Ca -0.14 0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 55.18 3k5n s ARG 176 Cb -0.06 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.44 3k5n s ARG 176 CO 0.03 -0.41 0.34 -1.50 0.02 0.00 0.00 175.30 173.78 3k5n s ILE 177 N 2.11 0.01 -0.08 1.52 2.07 -0.89 -2.78 121.20 123.17 3k5n s ILE 177 Ca 0.04 -1.59 -0.10 0.00 -1.41 0.00 0.00 60.65 57.58 3k5n s ILE 177 Cb -0.13 -2.24 0.02 0.00 0.13 0.00 0.00 42.46 40.24 3k5n s ILE 177 CO -0.05 -0.05 0.27 -0.69 -1.91 0.00 0.00 174.94 172.51 3k5n s VAL 178 N -4.06 0.02 -0.09 4.00 1.01 -1.15 -2.23 120.40 117.90 3k5n s VAL 178 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3k5n s VAL 178 Cb 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3k5n s VAL 178 CO 0.09 -0.09 -0.18 -0.31 0.00 0.00 0.00 175.10 174.61 3k5n s TYR 179 N -0.29 2.67 0.27 5.22 2.02 0.18 -1.07 117.35 126.35 3k5n s TYR 179 Ca -0.04 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3k5n s TYR 179 Cb -0.03 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3k5n s TYR 179 CO 0.01 -0.17 0.06 1.41 -1.57 0.00 0.00 175.55 175.29 3k5n s MET 180 N 0.04 1.46 -0.14 -0.62 1.75 0.47 -1.28 119.30 120.98 3k5n s MET 180 Ca -0.07 -1.78 -0.03 0.00 -1.25 0.00 0.00 55.69 52.56 3k5n s MET 180 Cb -0.15 -0.52 -0.03 0.00 2.84 0.00 0.00 34.83 36.98 3k5n s MET 180 CO 0.05 -0.22 -0.04 -1.17 -0.65 0.00 0.00 175.02 173.00 3k5n s LEU 181 N -3.36 3.28 0.89 4.11 2.96 -1.23 0.57 118.68 125.91 3k5n s LEU 181 Ca 0.35 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.08 3k5n s LEU 181 Cb 0.08 -1.78 0.13 0.00 0.50 0.00 0.00 46.19 45.12 3k5n s LEU 181 CO 0.13 0.22 1.12 -0.83 -1.32 0.00 0.00 176.35 175.67 3k5n s GLY 182 N 0.05 1.68 0.71 7.98 0.00 0.25 -4.73 107.32 113.26 3k5n s GLY 182 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 44.72 45.17 3k5n s GLY 182 CO 0.03 0.87 0.98 -4.14 0.00 0.00 0.00 173.10 170.83 3k5n s PRO 183 N -4.72 1.71 0.70 2.90 0.02 -1.26 -4.99 135.00 129.37 3k5n s PRO 183 Ca 0.65 -1.15 -0.11 0.00 0.02 0.00 0.00 61.00 60.41 3k5n s PRO 183 Cb -0.21 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 31.97 3k5n s PRO 183 CO 0.58 -1.41 1.07 -1.83 -0.33 0.00 0.00 177.00 175.07 3k5n s GLU 184 N -5.11 2.83 0.20 5.54 -1.05 -1.26 -5.06 118.70 114.78 3k5n s GLU 184 Ca 0.66 1.01 -0.02 0.00 -0.15 0.00 0.00 54.97 56.47 3k5n s GLU 184 Cb -0.05 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.63 3k5n s GLU 184 CO 0.44 -1.19 0.17 -0.80 0.95 0.00 0.00 175.26 174.83 3k5n s ASN 185 N -3.65 0.13 0.44 0.83 0.02 -1.26 -5.06 114.94 106.39 3k5n s ASN 185 Ca 0.59 -1.33 0.00 0.00 -1.02 0.00 0.00 52.86 51.10 3k5n s ASN 185 Cb -0.15 0.40 0.00 0.00 0.02 0.00 0.00 41.25 41.52 3k5n s ASN 185 CO 0.54 -0.87 0.00 0.61 0.02 0.00 0.00 177.10 177.40 3k5n n GLY 186 N -0.27 0.86 3.21 0.66 0.00 -1.26 -4.52 105.19 103.87 3k5n n GLY 186 Ca 0.01 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3k5n n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k5n s ASP 187 N -4.00 4.05 0.00 1.61 2.15 -1.26 -4.98 116.67 114.24 3k5n s ASP 187 Ca 0.00 -0.70 0.24 0.00 0.43 0.00 0.00 52.55 52.53 3k5n s ASP 187 Cb 0.00 -1.64 0.21 0.00 -0.30 0.00 0.00 42.92 41.19 3k5n s ASP 187 CO 0.00 -0.07 1.27 0.00 -0.17 0.00 0.00 175.17 176.20 3k5n n ALA 188 N 4.69 2.47 -0.25 3.66 0.00 -1.26 -4.52 120.51 125.29 3k5n n ALA 188 Ca -0.18 -0.68 -0.06 0.00 0.00 0.00 0.00 53.44 52.51 3k5n n ALA 188 Cb 0.49 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 19.16 3k5n n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k5n h SER 189 N 4.63 0.94 -0.05 0.00 4.64 -1.99 -3.28 113.55 118.44 3k5n h SER 189 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3k5n h SER 189 Cb 0.98 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3k5n h SER 189 CO 0.00 0.83 0.00 -1.20 -0.87 0.00 0.00 176.83 175.59 3k5n n SER 190 N -4.40 0.56 -4.78 4.97 7.64 -1.26 -4.90 113.62 111.44 3k5n n SER 190 Ca 0.05 -1.48 -0.35 0.00 1.01 0.00 0.00 58.87 58.10 3k5n n SER 190 Cb 0.16 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 3k5n n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k5n s LEU 191 N -1.62 3.83 -0.43 -3.43 1.02 -1.24 -4.96 118.68 111.85 3k5n s LEU 191 Ca 0.31 2.12 0.04 0.00 0.02 0.00 0.00 54.13 56.61 3k5n s LEU 191 Cb 0.15 -4.52 0.46 0.00 0.02 0.00 0.00 46.19 42.30 3k5n s LEU 191 CO 0.24 -1.03 1.50 -0.90 0.02 0.00 0.00 176.35 176.18 3k5n n ASP 192 N -1.05 5.94 -3.78 2.29 5.75 -1.26 -4.96 116.55 119.47 3k5n n ASP 192 Ca 0.10 -3.76 -0.10 0.00 -0.01 0.00 0.00 54.79 51.02 3k5n n ASP 192 Cb 0.51 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 3k5n n ASP 192 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3k5n s PHE 193 N -3.68 0.01 0.69 2.11 -0.12 -1.26 -5.05 117.98 110.67 3k5n s PHE 193 Ca 0.56 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 56.98 3k5n s PHE 193 Cb 0.45 0.25 0.01 0.00 -0.63 0.00 0.00 43.02 43.09 3k5n s PHE 193 CO 0.02 -0.82 1.06 -1.21 -0.05 0.00 0.00 175.22 174.22 3k5n s GLU 194 N -3.89 2.97 -0.19 1.99 2.02 -1.12 -5.00 118.70 115.49 3k5n s GLU 194 Ca 0.10 0.76 -0.11 0.00 0.02 0.00 0.00 54.97 55.75 3k5n s GLU 194 Cb 0.01 -2.01 0.06 0.00 0.10 0.00 0.00 34.13 32.29 3k5n s GLU 194 CO -0.04 -1.03 0.46 -1.17 0.02 0.00 0.00 175.26 173.51 3k5n s LEU 195 N -5.45 -0.25 0.07 1.80 2.96 -1.26 -2.93 118.68 113.62 3k5n s LEU 195 Ca 0.58 1.01 0.07 0.00 -0.22 0.00 0.00 54.13 55.57 3k5n s LEU 195 Cb -0.13 1.55 -0.03 0.00 0.50 0.00 0.00 46.19 48.08 3k5n s LEU 195 CO 0.54 -0.20 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.48 3k5n s GLU 196 N 1.42 1.16 -0.00 1.98 2.12 -0.23 -4.94 118.70 120.21 3k5n s GLU 196 Ca -0.09 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 54.28 3k5n s GLU 196 Cb -0.08 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 3k5n s GLU 196 CO -0.14 0.32 -0.19 0.71 -0.54 0.00 0.00 175.26 175.42 3k5n s TYR 197 N -1.01 2.53 0.07 5.30 2.02 -1.26 -0.40 117.35 124.60 3k5n s TYR 197 Ca 0.05 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3k5n s TYR 197 Cb -0.09 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3k5n s TYR 197 CO 0.03 0.15 -0.15 0.14 -1.57 0.00 0.00 175.55 174.15 3k5n s VAL 198 N -0.78 1.17 0.20 0.71 -7.23 0.19 -4.90 120.40 109.77 3k5n s VAL 198 Ca 0.12 -1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3k5n s VAL 198 Cb -0.10 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.76 3k5n s VAL 198 CO 0.02 -0.19 1.61 0.00 -0.31 0.00 0.00 175.10 176.23 3k5n h ALA 199 N 4.34 0.83 -2.22 1.32 0.00 -1.94 0.72 119.26 122.30 3k5n h ALA 199 Ca -0.41 -0.38 -0.36 0.00 0.00 0.00 0.00 54.91 53.77 3k5n h ALA 199 Cb 1.19 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3k5n h ALA 199 CO 0.40 0.64 -0.66 -1.12 0.00 0.00 0.00 179.25 178.52 3k5n s SER 200 N -6.74 1.69 0.22 0.00 0.01 -1.26 -4.65 113.70 102.96 3k5n s SER 200 Ca -0.10 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 55.95 3k5n s SER 200 Cb 0.13 0.04 0.21 0.00 0.21 0.00 0.00 66.02 66.60 3k5n s SER 200 CO 0.84 -0.52 1.56 0.03 0.41 0.00 0.00 173.24 175.57 3k5n h ARG 201 N 2.53 0.47 -0.87 12.44 3.08 -1.91 -2.74 114.38 127.39 3k5n h ARG 201 Ca -0.38 -0.27 0.10 0.00 0.07 0.00 0.00 59.98 59.50 3k5n h ARG 201 Cb 1.22 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 3k5n h ARG 201 CO 0.64 0.86 0.56 -1.35 -1.07 0.00 0.00 179.97 179.61 3k5n h PRO 202 N 0.38 0.81 0.00 0.04 0.11 -1.97 0.11 132.00 131.47 3k5n h PRO 202 Ca 0.02 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3k5n h PRO 202 Cb 1.00 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3k5n h PRO 202 CO 0.09 0.53 -0.28 1.96 -0.21 0.00 0.00 178.00 180.10 3k5n h GLN 203 N 0.83 0.00 -1.00 1.05 4.20 -1.90 -2.26 115.11 116.03 3k5n h GLN 203 Ca 0.40 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.14 3k5n h GLN 203 Cb 0.44 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3k5n h GLN 203 CO -0.17 0.28 0.66 -0.07 -0.67 0.00 0.00 178.83 178.86 3k5n h LEU 204 N 0.00 1.12 -0.17 1.46 3.38 -0.64 -1.44 115.31 119.02 3k5n h LEU 204 Ca -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3k5n h LEU 204 Cb 0.92 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3k5n h LEU 204 CO 0.04 0.79 0.05 -0.07 0.09 0.00 0.00 178.44 179.33 3k5n h LEU 205 N 1.31 0.26 -0.56 1.67 4.07 -1.22 -1.40 115.31 119.44 3k5n h LEU 205 Ca 0.39 -0.22 0.10 0.00 0.08 0.00 0.00 57.88 58.22 3k5n h LEU 205 Cb -0.07 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 41.53 3k5n h LEU 205 CO -0.11 0.41 0.13 -0.33 -1.08 0.00 0.00 178.44 177.47 3k5n h GLU 206 N 0.09 0.26 -0.22 1.13 5.08 -0.95 0.60 114.58 120.58 3k5n h GLU 206 Ca 0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3k5n h GLU 206 Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3k5n h GLU 206 CO -0.00 0.17 -0.05 0.87 -1.00 0.00 0.00 179.01 179.00 3k5n h LYS 207 N 0.27 0.34 -0.15 2.33 1.57 -1.11 0.18 116.57 120.00 3k5n h LYS 207 Ca 0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3k5n h LYS 207 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3k5n h LYS 207 CO -0.36 0.41 -0.00 1.25 -0.57 0.00 0.00 179.45 180.18 3k5n h LEU 208 N 0.32 0.26 -0.73 2.94 5.85 0.83 0.38 115.31 125.15 3k5n h LEU 208 Ca 0.07 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3k5n h LEU 208 Cb 0.31 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3k5n h LEU 208 CO 0.01 0.51 0.46 0.78 -0.34 0.00 0.00 178.44 179.86 3k5n h ASN 209 N -0.00 0.76 -0.27 1.25 -0.26 0.75 -2.23 115.58 115.57 3k5n h ASN 209 Ca 0.04 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3k5n h ASN 209 Cb 0.38 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 3k5n h ASN 209 CO 0.01 0.52 -0.08 0.00 -1.06 0.00 0.00 177.43 176.82 3k5n h ALA 210 N 1.31 1.15 -0.62 -0.83 0.00 -0.37 -1.70 119.26 118.21 3k5n h ALA 210 Ca 0.29 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3k5n h ALA 210 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3k5n h ALA 210 CO -0.11 0.54 0.16 2.35 0.00 0.00 0.00 179.25 182.19 3k5n h TRP 211 N 0.60 1.03 -0.44 0.00 7.01 0.28 -2.51 115.95 121.93 3k5n h TRP 211 Ca 0.11 -0.12 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 3k5n h TRP 211 Cb 0.49 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3k5n h TRP 211 CO 0.02 0.86 -0.04 0.74 -2.79 0.00 0.00 178.44 177.23 3k5n h PHE 212 N 0.90 0.80 -0.61 2.65 0.04 -0.99 -0.76 116.94 118.97 3k5n h PHE 212 Ca 0.20 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.90 3k5n h PHE 212 Cb 0.34 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 3k5n h PHE 212 CO 0.02 0.77 0.34 0.00 -0.60 0.00 0.00 178.31 178.84 3k5n h ALA 213 N 1.26 0.80 0.41 2.45 0.00 -0.88 -1.74 119.26 121.56 3k5n h ALA 213 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k5n h ALA 213 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k5n h ALA 213 CO 0.02 0.02 -0.20 -0.91 0.00 0.00 0.00 179.25 178.18 3k5n h ASN 214 N 0.64 -0.46 0.06 0.00 2.35 -1.24 -3.39 115.58 113.54 3k5n h ASN 214 Ca 0.27 0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.82 3k5n h ASN 214 Cb 0.14 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3k5n h ASN 214 CO -0.16 -0.06 -0.79 1.88 -1.65 0.00 0.00 177.43 176.64 3k5n h TYR 215 N -1.08 0.83 -5.62 1.19 0.05 -1.19 -3.48 116.97 107.66 3k5n h TYR 215 Ca -0.06 -0.38 -0.29 0.00 0.05 0.00 0.00 58.73 58.05 3k5n h TYR 215 Cb 0.42 -0.12 0.17 0.00 1.01 0.00 0.00 36.73 38.21 3k5n h TYR 215 CO 0.01 1.18 -0.86 -3.47 -1.05 0.00 0.00 178.16 173.96 3k5n n ASP 216 N -3.88 -5.78 -4.74 3.88 2.03 -0.65 -4.92 116.55 102.48 3k5n n ASP 216 Ca -0.06 -0.76 -0.38 0.00 0.52 0.00 0.00 54.79 54.12 3k5n n ASP 216 Cb 0.75 -4.87 0.05 0.00 -0.72 0.00 0.00 41.12 36.33 3k5n n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3k5n s PRO 217 N -4.80 2.93 0.01 -0.67 0.04 -1.26 -4.94 135.00 126.30 3k5n s PRO 217 Ca 0.40 2.12 0.18 0.00 0.04 0.00 0.00 61.00 63.73 3k5n s PRO 217 Cb -0.07 -2.08 -0.18 0.00 0.04 0.00 0.00 34.50 32.21 3k5n s PRO 217 CO 0.76 -1.32 0.65 -0.25 0.04 0.00 0.00 177.00 176.89 3k5n n ASP 218 N -1.39 0.62 -4.18 6.66 9.92 0.53 -4.92 116.55 123.79 3k5n n ASP 218 Ca 0.13 0.27 -0.24 0.00 -0.53 0.00 0.00 54.79 54.42 3k5n n ASP 218 Cb 0.47 0.51 -0.15 0.00 -0.64 0.00 0.00 41.12 41.31 3k5n n ASP 218 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3k5n s VAL 219 N -2.92 1.39 -0.24 2.53 1.01 -0.42 -2.50 120.40 119.26 3k5n s VAL 219 Ca -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 3k5n s VAL 219 Cb 0.09 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3k5n s VAL 219 CO 0.83 0.26 -0.05 -0.63 0.00 0.00 0.00 175.10 175.50 3k5n s ILE 220 N -0.60 3.04 0.23 2.22 1.01 0.32 -2.17 121.20 125.25 3k5n s ILE 220 Ca 0.06 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.98 3k5n s ILE 220 Cb -0.07 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3k5n s ILE 220 CO 0.00 0.28 -0.21 0.27 0.00 0.00 0.00 174.94 175.28 3k5n s ILE 221 N 1.38 2.50 -0.04 2.92 -4.36 -0.57 -0.75 121.20 122.27 3k5n s ILE 221 Ca 0.02 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.04 3k5n s ILE 221 Cb -0.16 -2.25 0.06 0.00 1.25 0.00 0.00 42.46 41.36 3k5n s ILE 221 CO -0.04 -0.25 0.90 0.61 0.24 0.00 0.00 174.94 176.39 3k5n n GLY 222 N -0.18 0.25 3.20 6.27 0.00 -1.13 -2.54 105.19 111.06 3k5n n GLY 222 Ca -0.09 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 3k5n n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k5n s TRP 223 N -2.16 3.25 -1.21 1.61 -0.11 -1.26 -1.04 118.94 118.02 3k5n s TRP 223 Ca 0.21 -1.73 -0.04 0.00 1.22 0.00 0.00 56.10 55.76 3k5n s TRP 223 Cb -0.00 -2.15 0.00 0.00 -1.50 0.00 0.00 33.47 29.82 3k5n s TRP 223 CO -0.01 -0.78 1.04 -1.71 -4.62 0.00 0.00 176.95 170.87 3k5n n ASN 224 N 4.68 -4.18 0.07 5.86 5.15 -1.26 -4.83 115.26 120.75 3k5n n ASN 224 Ca -0.13 -0.55 -0.07 0.00 -0.60 0.00 0.00 54.58 53.23 3k5n n ASN 224 Cb 0.44 -4.83 0.07 0.00 -0.53 0.00 0.00 39.78 34.93 3k5n n ASN 224 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3k5n h VAL 225 N -2.20 1.40 0.05 3.44 3.04 -1.86 -2.73 116.25 117.40 3k5n h VAL 225 Ca -0.55 -2.12 -0.00 0.00 -1.01 0.00 0.00 66.70 63.02 3k5n h VAL 225 Cb 1.34 2.10 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 3k5n h VAL 225 CO 0.50 0.63 -0.03 0.58 -1.01 0.00 0.00 177.57 178.24 3k5n h VAL 226 N 0.20 1.17 -0.12 1.51 2.07 -1.91 3.39 116.25 122.56 3k5n h VAL 226 Ca -0.02 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.78 3k5n h VAL 226 Cb 1.22 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3k5n h VAL 226 CO 0.11 0.35 -0.45 1.56 0.02 0.00 0.00 177.57 179.16 3k5n h GLN 227 N -0.89 0.28 0.00 1.57 1.08 -1.92 -1.32 115.11 113.91 3k5n h GLN 227 Ca -0.01 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3k5n h GLN 227 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3k5n h GLN 227 CO 0.01 0.68 0.00 0.34 -0.95 0.00 0.00 178.83 178.92 3k5n n PHE 228 N -3.99 0.00 -0.04 2.96 7.35 -1.03 -4.06 117.46 118.64 3k5n n PHE 228 Ca -0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.59 3k5n n PHE 228 Cb 0.51 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 3k5n n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k5n h ASP 229 N 0.00 -0.44 -0.53 -2.13 3.32 -1.49 0.53 116.42 115.69 3k5n h ASP 229 Ca 0.00 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3k5n h ASP 229 Cb 0.00 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3k5n h ASP 229 CO 0.00 -0.17 -0.11 0.25 -1.72 0.00 0.00 179.24 177.49 3k5n h LEU 230 N -0.12 1.02 -0.58 1.55 5.85 0.62 -2.90 115.31 120.75 3k5n h LEU 230 Ca 0.12 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 3k5n h LEU 230 Cb 0.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3k5n h LEU 230 CO -0.30 1.13 -0.42 -0.09 -0.34 0.00 0.00 178.44 178.43 3k5n h ARG 231 N 0.88 0.66 -0.61 1.25 2.43 -0.65 -3.18 114.38 115.17 3k5n h ARG 231 Ca 0.14 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 3k5n h ARG 231 Cb 0.68 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3k5n h ARG 231 CO 0.05 0.95 0.06 0.52 -1.51 0.00 0.00 179.97 180.05 3k5n h MET 232 N 0.54 1.01 -0.29 0.20 2.86 -0.79 -2.61 114.93 115.84 3k5n h MET 232 Ca 0.04 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 3k5n h MET 232 Cb 0.95 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3k5n h MET 232 CO 0.09 0.95 -0.14 -0.07 1.06 0.00 0.00 176.91 178.80 3k5n h LEU 233 N 0.94 0.49 -0.97 1.22 4.07 -1.49 -2.35 115.31 117.22 3k5n h LEU 233 Ca 0.18 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 3k5n h LEU 233 Cb 0.46 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3k5n h LEU 233 CO 0.02 0.66 0.12 -0.61 -1.08 0.00 0.00 178.44 177.55 3k5n h GLN 234 N 0.47 0.87 -0.53 1.13 5.75 -1.51 0.51 115.11 121.80 3k5n h GLN 234 Ca 0.08 -0.19 0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3k5n h GLN 234 Cb 0.52 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 3k5n h GLN 234 CO 0.03 0.79 0.21 0.87 -2.65 0.00 0.00 178.83 178.08 3k5n h LYS 235 N 0.83 0.39 -0.66 1.69 1.57 -1.06 0.37 116.57 119.69 3k5n h LYS 235 Ca 0.18 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3k5n h LYS 235 Cb 0.33 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3k5n h LYS 235 CO 0.00 0.26 0.12 0.45 -0.57 0.00 0.00 179.45 179.71 3k5n h HIS 236 N 0.40 1.15 -0.99 -1.35 3.86 -0.93 -1.58 115.15 115.72 3k5n h HIS 236 Ca 0.25 -0.16 0.19 0.00 -1.16 0.00 0.00 60.37 59.49 3k5n h HIS 236 Cb 0.25 -0.32 -0.10 0.00 1.06 0.00 0.00 27.41 28.31 3k5n h HIS 236 CO -0.15 0.97 0.61 0.00 0.86 0.00 0.00 177.93 180.22 3k5n h ALA 237 N 1.05 1.76 -0.13 2.45 0.00 0.20 -0.55 119.26 124.03 3k5n h ALA 237 Ca 0.20 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 3k5n h ALA 237 Cb 0.43 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k5n h ALA 237 CO 0.01 -0.11 -0.79 0.93 0.00 0.00 0.00 179.25 179.29 3k5n h GLU 238 N 0.72 0.73 -0.08 0.00 5.08 -0.47 -0.80 114.58 119.76 3k5n h GLU 238 Ca 0.55 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3k5n h GLU 238 Cb 0.92 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3k5n h GLU 238 CO -0.33 1.22 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.73 3k5n h ARG 239 N 0.50 -0.09 -0.00 2.33 9.65 -0.19 -2.71 114.38 123.87 3k5n h ARG 239 Ca -0.05 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3k5n h ARG 239 Cb 1.41 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 3k5n h ARG 239 CO 0.16 -0.06 -0.26 0.66 2.80 0.00 0.00 179.97 183.27 3k5n n TYR 240 N -5.21 0.00 -3.10 2.20 4.01 -0.76 -4.93 117.16 109.37 3k5n n TYR 240 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 3k5n n TYR 240 Cb 0.14 -0.20 0.04 0.00 -0.31 0.00 0.00 39.34 39.01 3k5n n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k5n n ARG 241 N -1.02 -5.20 -4.55 -0.72 1.74 -0.52 -4.97 116.66 101.42 3k5n n ARG 241 Ca 0.11 0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 57.63 3k5n n ARG 241 Cb 0.32 -5.44 -0.11 0.00 -1.02 0.00 0.00 32.46 26.21 3k5n n ARG 241 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k5n s LEU 242 N -6.11 3.22 0.56 0.55 1.43 -0.42 -5.03 118.68 112.87 3k5n s LEU 242 Ca 0.35 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 3k5n s LEU 242 Cb -0.15 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3k5n s LEU 242 CO 0.43 0.31 1.01 -2.84 0.23 0.00 0.00 176.35 175.49 3k5n s PRO 243 N -0.49 3.73 -0.64 1.29 0.02 -1.26 -4.45 135.00 133.20 3k5n s PRO 243 Ca 0.07 0.92 0.04 0.00 0.02 0.00 0.00 61.00 62.05 3k5n s PRO 243 Cb -0.12 -2.10 0.16 0.00 0.02 0.00 0.00 34.50 32.46 3k5n s PRO 243 CO 0.02 -0.45 0.42 -1.17 -0.33 0.00 0.00 177.00 175.49 3k5n s LEU 244 N -4.52 4.69 -0.58 -5.54 2.96 -1.26 -4.99 118.68 109.44 3k5n s LEU 244 Ca 0.58 -3.53 -0.28 0.00 -0.22 0.00 0.00 54.13 50.68 3k5n s LEU 244 Cb -0.11 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.95 3k5n s LEU 244 CO 0.40 -0.15 1.32 -0.13 -1.32 0.00 0.00 176.35 176.47 3k5n s ARG 245 N -1.01 3.38 -0.13 1.98 1.81 -1.26 -0.73 118.95 122.99 3k5n s ARG 245 Ca 0.22 0.32 0.15 0.00 -1.72 0.00 0.00 55.73 54.70 3k5n s ARG 245 Cb -0.13 -4.08 0.32 0.00 -0.45 0.00 0.00 34.95 30.61 3k5n s ARG 245 CO -0.10 -1.85 1.16 1.28 -0.68 0.00 0.00 175.30 175.11 3k5n n LEU 246 N 9.10 2.12 -4.53 2.53 4.32 -1.01 -4.77 117.00 124.76 3k5n n LEU 246 Ca 0.10 -3.08 -0.25 0.00 -0.02 0.00 0.00 56.01 52.75 3k5n n LEU 246 Cb 0.49 -0.38 -0.11 0.00 -1.62 0.00 0.00 43.42 41.80 3k5n n LEU 246 CO 0.71 0.91 -0.37 -0.83 -1.22 0.00 0.00 177.39 176.60 3k5n s GLY 247 N -2.74 2.17 0.24 -0.72 0.00 -1.06 -4.65 107.32 100.55 3k5n s GLY 247 Ca 0.31 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3k5n s GLY 247 CO -0.03 -2.00 1.13 0.50 0.00 0.00 0.00 173.10 172.70 3k5n s ARG 248 N -3.65 4.58 0.00 2.90 0.52 0.13 -2.52 118.95 120.91 3k5n s ARG 248 Ca 0.32 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 3k5n s ARG 248 Cb 0.04 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.30 3k5n s ARG 248 CO 0.16 0.10 0.00 -3.47 0.02 0.00 0.00 175.30 172.10 3k5n n ASP 249 N 1.72 -1.97 -3.57 0.23 -0.08 -1.26 -3.75 116.55 107.86 3k5n n ASP 249 Ca 0.01 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.07 3k5n n ASP 249 Cb 0.45 -0.33 0.08 0.00 2.34 0.00 0.00 41.12 43.66 3k5n n ASP 249 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3k5n n ASN 250 N 1.30 -5.06 -4.87 1.67 3.02 -1.05 -4.95 115.26 105.34 3k5n n ASN 250 Ca 0.00 -0.58 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 3k5n n ASN 250 Cb 0.00 -4.98 -0.04 0.00 -0.61 0.00 0.00 39.78 34.15 3k5n n ASN 250 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3k5n s SER 251 N -3.62 6.57 0.50 6.41 0.01 -1.17 -4.91 113.70 117.50 3k5n s SER 251 Ca 0.42 1.22 -0.13 0.00 1.31 0.00 0.00 55.95 58.77 3k5n s SER 251 Cb -0.19 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 3k5n s SER 251 CO 0.74 -0.40 0.93 -1.61 0.41 0.00 0.00 173.24 173.31 3k5n s GLU 252 N -3.75 3.82 0.55 12.44 2.02 -1.26 -2.42 118.70 130.10 3k5n s GLU 252 Ca 0.53 0.75 -0.21 0.00 0.02 0.00 0.00 54.97 56.06 3k5n s GLU 252 Cb -0.10 -2.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 3k5n s GLU 252 CO 0.29 -0.26 1.27 -1.17 0.02 0.00 0.00 175.26 175.41 3k5n s LEU 253 N -4.25 3.81 -0.07 1.80 2.96 0.10 -4.62 118.68 118.41 3k5n s LEU 253 Ca 0.56 2.56 0.05 0.00 -0.22 0.00 0.00 54.13 57.07 3k5n s LEU 253 Cb -0.10 -4.38 -0.00 0.00 0.50 0.00 0.00 46.19 42.20 3k5n s LEU 253 CO 0.36 -1.47 -0.23 -0.70 -1.32 0.00 0.00 176.35 172.99 3k5n s GLU 254 N -3.01 2.60 -0.21 1.98 2.12 -0.41 -4.96 118.70 116.82 3k5n s GLU 254 Ca 0.72 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 3k5n s GLU 254 Cb -0.35 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.95 3k5n s GLU 254 CO 0.40 0.25 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.71 3k5n s TRP 255 N 0.14 2.90 0.09 5.30 0.52 -1.26 0.44 118.94 127.06 3k5n s TRP 255 Ca -0.11 -1.10 -0.05 0.00 0.02 0.00 0.00 56.10 54.86 3k5n s TRP 255 Cb -0.15 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 3k5n s TRP 255 CO 0.06 -0.60 0.09 1.03 0.02 0.00 0.00 176.95 177.55 3k5n s ARG 256 N 1.37 0.79 0.00 4.98 1.81 0.76 -4.94 118.95 123.72 3k5n s ARG 256 Ca 0.05 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 3k5n s ARG 256 Cb -0.14 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 3k5n s ARG 256 CO -0.05 -0.22 0.00 0.39 -0.68 0.00 0.00 175.30 174.74 3k5n n GLU 257 N -0.01 0.69 -0.56 3.54 4.71 -1.26 -0.38 120.64 127.37 3k5n n GLU 257 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 3k5n n GLU 257 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.05 3k5n n GLU 257 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3k5n n ASN 262 N 0.00 -1.59 0.00 1.62 2.04 -1.26 -4.82 115.26 111.25 3k5n n ASN 262 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3k5n n ASN 262 Cb 0.00 -2.43 0.00 0.00 -2.53 0.00 0.00 39.78 34.82 3k5n n ASN 262 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3k5n n GLY 263 N -0.81 0.62 3.72 4.83 0.00 -1.26 -5.05 105.19 107.24 3k5n n GLY 263 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3k5n n GLY 263 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k5n s VAL 264 N -2.31 5.33 -0.19 1.61 -7.23 -1.26 -5.06 120.40 111.29 3k5n s VAL 264 Ca 0.00 0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 60.19 3k5n s VAL 264 Cb 0.00 -3.42 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 3k5n s VAL 264 CO 0.00 0.45 0.31 0.72 -0.31 0.00 0.00 175.10 176.27 3k5n s PHE 265 N 0.31 3.41 -0.06 2.82 -0.71 -1.26 -4.74 117.98 117.75 3k5n s PHE 265 Ca 0.08 0.55 0.01 0.00 -1.04 0.00 0.00 56.93 56.52 3k5n s PHE 265 Cb -0.11 -2.40 -0.03 0.00 -1.21 0.00 0.00 43.02 39.27 3k5n s PHE 265 CO -0.01 0.12 -0.06 -0.59 -1.34 0.00 0.00 175.22 173.34 3k5n s PHE 266 N 0.86 2.96 0.24 3.49 -0.00 0.49 -4.90 117.98 121.13 3k5n s PHE 266 Ca 0.16 0.04 0.10 0.00 -0.00 0.00 0.00 56.93 57.23 3k5n s PHE 266 Cb -0.14 -1.71 -0.04 0.00 -0.00 0.00 0.00 43.02 41.13 3k5n s PHE 266 CO 0.05 0.36 -0.09 0.00 -0.00 0.00 0.00 175.22 175.54 3k5n s ALA 267 N -0.85 2.97 -0.13 1.99 0.00 -1.26 -0.17 121.76 124.32 3k5n s ALA 267 Ca 0.13 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 3k5n s ALA 267 Cb -0.11 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.43 3k5n s ALA 267 CO 0.03 0.33 0.41 1.14 0.00 0.00 0.00 175.76 177.67 3k5n s GLN 268 N -3.36 0.55 0.08 0.00 -2.07 0.17 -4.93 119.66 110.10 3k5n s GLN 268 Ca 0.29 0.43 0.09 0.00 -1.82 0.00 0.00 55.36 54.35 3k5n s GLN 268 Cb -0.07 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 3k5n s GLN 268 CO 0.17 -0.09 -0.25 0.00 -1.32 0.00 0.00 175.29 173.80 3k5n s ALA 269 N -0.12 2.38 -0.11 2.60 0.00 -1.26 -1.29 121.76 123.95 3k5n s ALA 269 Ca -0.03 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 3k5n s ALA 269 Cb -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3k5n s ALA 269 CO 0.02 0.55 1.22 0.21 0.00 0.00 0.00 175.76 177.75 3k5n s LYS 270 N -1.59 4.30 0.00 0.00 2.20 -1.26 -3.25 119.74 120.13 3k5n s LYS 270 Ca 0.13 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 3k5n s LYS 270 Cb -0.10 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3k5n s LYS 270 CO 0.04 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3k5n n GLY 271 N 3.47 0.64 3.16 5.54 0.00 -1.26 -0.69 105.19 116.05 3k5n n GLY 271 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3k5n n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5n s ARG 272 N -0.02 0.80 -0.08 1.61 0.52 -1.20 -4.86 118.95 115.73 3k5n s ARG 272 Ca 0.00 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 53.99 3k5n s ARG 272 Cb 0.00 -0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 3k5n s ARG 272 CO 0.00 0.03 0.02 -0.51 0.02 0.00 0.00 175.30 174.87 3k5n s LEU 273 N -2.62 3.70 -0.17 2.53 1.02 -1.04 -4.59 118.68 117.50 3k5n s LEU 273 Ca 0.07 0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.40 3k5n s LEU 273 Cb -0.00 -1.88 0.02 0.00 0.02 0.00 0.00 46.19 44.35 3k5n s LEU 273 CO -0.02 0.37 -0.18 -0.63 0.02 0.00 0.00 176.35 175.91 3k5n s ILE 274 N -0.93 1.94 -0.06 -0.59 1.01 -1.26 0.12 121.20 121.43 3k5n s ILE 274 Ca 0.14 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3k5n s ILE 274 Cb -0.11 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3k5n s ILE 274 CO 0.03 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.62 3k5n s ILE 275 N 1.34 1.94 -0.17 2.92 -1.09 0.07 -4.87 121.20 121.34 3k5n s ILE 275 Ca 0.05 -1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 3k5n s ILE 275 Cb -0.13 -1.64 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 3k5n s ILE 275 CO -0.12 0.54 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.42 3k5n s ASP 276 N -0.09 4.20 0.32 3.58 -1.08 -1.26 -2.84 116.67 119.50 3k5n s ASP 276 Ca -0.05 -0.33 0.01 0.00 -0.52 0.00 0.00 52.55 51.66 3k5n s ASP 276 Cb -0.14 -1.68 0.54 0.00 -1.46 0.00 0.00 42.92 40.19 3k5n s ASP 276 CO 0.04 0.10 1.96 1.23 0.52 0.00 0.00 175.17 179.02 3k5n h GLY 277 N 7.24 1.11 0.91 2.66 0.00 -1.45 0.25 103.07 113.80 3k5n h GLY 277 Ca -0.33 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 3k5n h GLY 277 CO 0.59 0.35 -0.37 -2.22 0.00 0.00 0.00 176.54 174.89 3k5n h ILE 278 N 1.00 1.33 0.12 2.60 2.04 -1.94 0.31 117.51 122.97 3k5n h ILE 278 Ca 0.31 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3k5n h ILE 278 Cb 0.00 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3k5n h ILE 278 CO -0.09 0.49 -0.06 -0.33 0.00 0.00 0.00 178.15 178.17 3k5n h GLU 279 N 0.26 -0.16 -0.55 2.37 5.08 -1.82 0.23 114.58 119.98 3k5n h GLU 279 Ca 0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3k5n h GLU 279 Cb 0.97 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 3k5n h GLU 279 CO 0.08 0.17 0.26 0.00 -1.00 0.00 0.00 179.01 178.52 3k5n h ALA 280 N 0.31 0.71 -0.26 3.43 0.00 -0.56 -0.51 119.26 122.38 3k5n h ALA 280 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3k5n h ALA 280 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k5n h ALA 280 CO 0.03 -0.10 0.04 1.25 0.00 0.00 0.00 179.25 180.47 3k5n h LEU 281 N 0.50 0.41 -0.21 0.00 5.85 -0.25 -3.06 115.31 118.54 3k5n h LEU 281 Ca 0.25 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3k5n h LEU 281 Cb 0.20 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3k5n h LEU 281 CO -0.19 0.56 0.07 0.11 -0.34 0.00 0.00 178.44 178.65 3k5n h LYS 282 N 0.24 0.17 0.00 1.25 1.57 -0.07 -1.01 116.57 118.72 3k5n h LYS 282 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k5n h LYS 282 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3k5n h LYS 282 CO 0.00 0.11 0.40 0.66 -0.57 0.00 0.00 179.45 180.06 3k5n h SER 283 N 0.17 0.00 -0.21 0.86 4.64 -1.00 3.89 113.55 121.90 3k5n h SER 283 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3k5n h SER 283 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3k5n h SER 283 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 3k5n n ALA 284 N -1.50 2.45 -3.15 5.18 0.00 -0.38 -4.95 120.51 118.14 3k5n n ALA 284 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 53.44 52.46 3k5n n ALA 284 Cb 0.42 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.06 3k5n n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k5n n PHE 285 N 1.36 -1.79 -3.55 0.00 3.72 1.29 -4.99 117.46 113.49 3k5n n PHE 285 Ca 0.17 0.66 -0.37 0.00 -0.05 0.00 0.00 57.45 57.86 3k5n n PHE 285 Cb 0.59 -3.76 -0.08 0.00 -0.94 0.00 0.00 39.48 35.29 3k5n n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k5n s TRP 286 N -3.22 3.40 -0.01 1.38 0.52 -1.21 -5.06 118.94 114.74 3k5n s TRP 286 Ca 0.29 0.49 0.06 0.00 0.02 0.00 0.00 56.10 56.96 3k5n s TRP 286 Cb -0.13 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 3k5n s TRP 286 CO 0.48 0.14 -0.20 1.21 0.02 0.00 0.00 176.95 178.60 3k5n s ASN 287 N 0.73 2.40 0.06 2.95 3.84 -1.26 -4.56 114.94 119.12 3k5n s ASN 287 Ca 0.14 -0.38 0.04 0.00 0.21 0.00 0.00 52.86 52.88 3k5n s ASN 287 Cb -0.13 -0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.27 3k5n s ASN 287 CO 0.04 0.25 -0.13 -0.36 -2.79 0.00 0.00 177.10 174.11 3k5n s PHE 288 N -0.49 1.09 0.15 0.43 0.08 -1.26 -5.05 117.98 112.93 3k5n s PHE 288 Ca 0.08 -0.47 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 3k5n s PHE 288 Cb -0.08 -0.62 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 3k5n s PHE 288 CO -0.01 0.03 1.68 0.66 -0.10 0.00 0.00 175.22 177.48 3k5n h SER 289 N 4.34 -0.36 -2.48 1.36 4.64 -1.99 -3.41 113.55 115.65 3k5n h SER 289 Ca -0.40 0.10 -0.58 0.00 -0.47 0.00 0.00 61.79 60.44 3k5n h SER 289 Cb 1.19 0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 63.35 3k5n h SER 289 CO 0.40 -0.14 -0.76 -0.55 -0.87 0.00 0.00 176.83 174.92 3k5n s SER 290 N -5.17 3.35 -0.57 4.97 0.15 -1.26 -5.07 113.70 110.10 3k5n s SER 290 Ca -0.14 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.55 3k5n s SER 290 Cb 0.12 -0.26 0.32 0.00 -1.71 0.00 0.00 66.02 64.49 3k5n s SER 290 CO 0.69 -0.00 0.89 0.49 1.20 0.00 0.00 173.24 176.50 3k5n n PHE 291 N -0.53 3.63 -4.32 3.44 3.72 -1.26 -4.28 117.46 117.86 3k5n n PHE 291 Ca -0.06 -4.01 -0.23 0.00 -0.05 0.00 0.00 57.45 53.09 3k5n n PHE 291 Cb 0.60 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 38.52 3k5n n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k5n s SER 292 N -3.16 2.68 0.14 4.37 1.04 -1.26 -4.97 113.70 112.55 3k5n s SER 292 Ca 0.46 -0.77 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 3k5n s SER 292 Cb 0.26 -0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 3k5n s SER 292 CO -0.11 0.03 1.49 0.18 0.98 0.00 0.00 173.24 175.81 3k5n n LEU 293 N 0.70 -0.96 -0.23 2.42 4.77 -1.26 -0.77 117.00 121.67 3k5n n LEU 293 Ca -0.16 1.70 -0.03 0.00 -0.03 0.00 0.00 56.01 57.49 3k5n n LEU 293 Cb 0.55 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3k5n n LEU 293 CO 0.26 -1.36 0.65 -0.33 -1.33 0.00 0.00 177.39 175.28 3k5n h GLU 294 N 0.00 -0.11 -0.14 3.23 3.07 -1.98 0.83 114.58 119.48 3k5n h GLU 294 Ca 0.14 0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.85 3k5n h GLU 294 Cb 0.37 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3k5n h GLU 294 CO -0.85 -0.07 -0.60 1.15 -1.40 0.00 0.00 179.01 177.24 3k5n h THR 295 N -0.11 1.34 -0.52 1.13 2.02 -1.64 -1.70 112.91 113.43 3k5n h THR 295 Ca 0.27 -1.90 -0.09 0.00 0.77 0.00 0.00 66.41 65.46 3k5n h THR 295 Cb 0.55 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3k5n h THR 295 CO -0.72 0.58 -0.03 0.58 0.37 0.00 0.00 175.52 176.30 3k5n h VAL 296 N 0.35 1.27 -0.27 3.16 2.07 0.61 -1.47 116.25 121.97 3k5n h VAL 296 Ca -0.00 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3k5n h VAL 296 Cb 1.14 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3k5n h VAL 296 CO 0.11 0.41 -0.06 0.00 0.02 0.00 0.00 177.57 178.05 3k5n h ALA 297 N 0.94 0.37 0.46 1.67 0.00 0.72 -0.66 119.26 122.76 3k5n h ALA 297 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3k5n h ALA 297 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3k5n h ALA 297 CO 0.03 0.17 -0.28 1.96 0.00 0.00 0.00 179.25 181.13 3k5n h GLN 298 N 0.27 -0.68 -0.73 0.00 4.20 -1.21 0.24 115.11 117.20 3k5n h GLN 298 Ca 0.07 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.90 3k5n h GLN 298 Cb 0.53 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 3k5n h GLN 298 CO 0.03 -0.45 0.40 0.93 -0.67 0.00 0.00 178.83 179.06 3k5n h GLU 299 N -0.71 0.68 0.03 1.46 5.08 -1.21 0.48 114.58 120.39 3k5n h GLU 299 Ca -0.05 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 57.88 3k5n h GLU 299 Cb 0.58 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3k5n h GLU 299 CO 0.06 0.45 -2.37 -0.11 -1.00 0.00 0.00 179.01 176.04 3k5n n LEU 300 N -4.79 2.89 0.11 1.33 7.94 -0.26 -4.48 117.00 119.74 3k5n n LEU 300 Ca 0.11 -0.06 0.12 0.00 -1.11 0.00 0.00 56.01 55.07 3k5n n LEU 300 Cb 0.23 -0.96 0.03 0.00 0.53 0.00 0.00 43.42 43.25 3k5n n LEU 300 CO 0.27 0.92 0.12 -0.07 -1.11 0.00 0.00 177.39 177.52 3k5n h LEU 301 N 0.00 0.00 0.00 -1.96 3.38 -0.66 -3.47 115.31 112.61 3k5n h LEU 301 Ca -0.55 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3k5n h LEU 301 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 3k5n h LEU 301 CO -0.05 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3k5n n GLY 302 N 1.18 1.53 0.00 0.83 0.00 0.17 -4.97 105.19 103.92 3k5n n GLY 302 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3k5n n GLY 302 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k5n n GLU 303 N -2.00 2.91 0.00 1.61 4.07 -1.03 -4.82 120.64 121.38 3k5n n GLU 303 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3k5n n GLU 303 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3k5n n GLU 303 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3k5n n ARG 313 N 0.00 0.00 -0.12 5.31 3.00 -1.26 -4.75 116.66 118.84 3k5n n ARG 313 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 3k5n n ARG 313 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.55 3k5n n ARG 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k5n h MET 314 N 0.00 0.86 -0.27 -0.14 -0.00 -2.06 -2.96 114.93 110.34 3k5n h MET 314 Ca 0.00 -0.29 -0.08 0.00 -0.00 0.00 0.00 59.70 59.33 3k5n h MET 314 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 3k5n h MET 314 CO 0.00 0.92 -0.17 -0.44 -0.00 0.00 0.00 176.91 177.22 3k5n h ASP 315 N 0.77 0.47 -0.50 -0.10 3.32 -2.05 -3.22 116.42 115.12 3k5n h ASP 315 Ca 0.13 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3k5n h ASP 315 Cb 0.61 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 3k5n h ASP 315 CO 0.04 0.66 0.15 -0.33 -1.72 0.00 0.00 179.24 178.04 3k5n h GLU 316 N 0.44 0.30 -0.42 3.56 4.39 -1.94 1.10 114.58 122.02 3k5n h GLU 316 Ca 0.08 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.80 3k5n h GLU 316 Cb 0.55 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3k5n h GLU 316 CO 0.04 0.20 0.19 0.82 -1.16 0.00 0.00 179.01 179.10 3k5n h ILE 317 N 0.31 0.94 -0.72 3.13 2.04 -1.66 0.53 117.51 122.08 3k5n h ILE 317 Ca 0.24 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3k5n h ILE 317 Cb 0.29 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3k5n h ILE 317 CO -0.27 0.07 0.30 0.44 0.00 0.00 0.00 178.15 178.69 3k5n h ASP 318 N 0.39 0.96 -0.07 1.72 3.32 -0.83 0.15 116.42 122.07 3k5n h ASP 318 Ca 0.19 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3k5n h ASP 318 Cb 0.12 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3k5n h ASP 318 CO -0.15 0.84 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.11 3k5n h ARG 319 N 1.04 0.13 -0.45 3.56 2.43 0.22 -3.08 114.38 118.22 3k5n h ARG 319 Ca 0.24 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3k5n h ARG 319 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3k5n h ARG 319 CO -0.02 0.45 0.08 0.00 -1.51 0.00 0.00 179.97 178.96 3k5n h ARG 320 N -0.21 0.69 -0.45 0.20 3.08 0.47 0.28 114.38 118.43 3k5n h ARG 320 Ca 0.02 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3k5n h ARG 320 Cb 0.40 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3k5n h ARG 320 CO 0.01 0.65 0.18 0.35 -1.07 0.00 0.00 179.97 180.09 3k5n h PHE 321 N 0.67 0.32 -0.07 3.04 3.57 -0.65 0.49 116.94 124.30 3k5n h PHE 321 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3k5n h PHE 321 Cb 0.30 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3k5n h PHE 321 CO 0.01 0.13 0.00 0.00 -2.23 0.00 0.00 178.31 176.22 3k5n n ALA 322 N -2.37 2.54 -0.02 2.41 0.00 -0.67 -3.93 120.51 118.46 3k5n n ALA 322 Ca 0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 3k5n n ALA 322 Cb 0.16 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 3k5n n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k5n n GLU 323 N 0.47 0.09 -3.36 0.00 1.02 0.89 -4.93 120.64 114.82 3k5n n GLU 323 Ca 0.18 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 57.10 3k5n n GLU 323 Cb 0.40 -0.65 -0.08 0.00 -0.02 0.00 0.00 31.44 31.09 3k5n n GLU 323 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k5n n ASP 324 N -3.21 1.38 -0.19 1.62 2.03 0.11 -4.11 116.55 114.18 3k5n n ASP 324 Ca -0.08 -2.91 0.01 0.00 0.52 0.00 0.00 54.79 52.33 3k5n n ASP 324 Cb 0.54 -0.65 0.26 0.00 -0.72 0.00 0.00 41.12 40.55 3k5n n ASP 324 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3k5n h LYS 325 N 4.46 0.94 -0.69 -0.67 1.57 -1.58 0.72 116.57 121.32 3k5n h LYS 325 Ca 0.15 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 3k5n h LYS 325 Cb 0.81 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3k5n h LYS 325 CO 0.58 0.63 0.47 -1.35 -0.57 0.00 0.00 179.45 179.20 3k5n h PRO 326 N 0.96 0.34 0.00 3.15 0.11 -1.87 0.43 132.00 135.12 3k5n h PRO 326 Ca 0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3k5n h PRO 326 Cb -0.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 30.94 3k5n h PRO 326 CO -0.05 0.22 -0.41 0.00 -0.21 0.00 0.00 178.00 177.55 3k5n n ALA 327 N -2.54 3.11 -0.23 -0.75 0.00 0.20 -1.72 120.51 118.58 3k5n n ALA 327 Ca 0.13 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3k5n n ALA 327 Cb 0.51 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.78 3k5n n ALA 327 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k5n h LEU 328 N 0.00 1.07 0.38 0.00 6.46 -0.41 -1.47 115.31 121.34 3k5n h LEU 328 Ca 0.00 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 3k5n h LEU 328 Cb 0.56 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3k5n h LEU 328 CO 0.00 1.09 -0.18 0.00 -0.62 0.00 0.00 178.44 178.72 3k5n h ALA 329 N 1.02 -0.51 -0.83 1.25 0.00 -1.26 -1.23 119.26 117.70 3k5n h ALA 329 Ca 0.19 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.11 3k5n h ALA 329 Cb 0.51 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 3k5n h ALA 329 CO 0.02 -0.70 0.35 1.15 0.00 0.00 0.00 179.25 180.08 3k5n h THR 330 N -0.69 0.59 -0.03 0.00 2.02 -1.22 -1.66 112.91 111.92 3k5n h THR 330 Ca -0.05 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3k5n h THR 330 Cb 0.49 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3k5n h THR 330 CO 0.09 0.08 0.02 0.22 0.37 0.00 0.00 175.52 176.30 3k5n h TYR 331 N 0.46 0.04 0.63 3.16 3.20 -1.04 -3.04 116.97 120.38 3k5n h TYR 331 Ca 0.48 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 3k5n h TYR 331 Cb 0.80 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3k5n h TYR 331 CO -0.15 0.09 -0.36 -0.97 -1.64 0.00 0.00 178.16 175.13 3k5n h ASN 332 N -0.02 -0.90 -1.03 -2.11 -1.24 -0.37 -2.76 115.58 107.15 3k5n h ASN 332 Ca 0.01 0.05 0.30 0.00 0.71 0.00 0.00 56.30 57.36 3k5n h ASN 332 Cb 0.06 0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 3k5n h ASN 332 CO -0.00 -0.57 0.77 0.25 -1.29 0.00 0.00 177.43 176.59 3k5n h LEU 333 N -0.93 0.00 -1.08 0.34 5.85 -1.41 4.53 115.31 122.62 3k5n h LEU 333 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3k5n h LEU 333 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3k5n h LEU 333 CO 0.10 0.00 -0.03 0.50 -0.34 0.00 0.00 178.44 178.68 3k5n h LYS 334 N 0.00 0.00 -0.12 1.25 3.64 -1.37 -0.74 116.57 119.23 3k5n h LYS 334 Ca 0.49 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.69 3k5n h LYS 334 Cb 2.03 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.86 3k5n h LYS 334 CO -0.01 0.03 -0.63 -0.91 -2.27 0.00 0.00 179.45 175.66 3k5n h ASN 335 N 0.00 0.76 -0.83 4.20 2.35 0.91 -2.52 115.58 120.44 3k5n h ASN 335 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 3k5n h ASN 335 Cb 0.65 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 3k5n h ASN 335 CO 0.00 1.28 0.52 0.00 -1.65 0.00 0.00 177.43 177.58 3k5n h GLU 337 N 1.14 0.00 -0.11 0.00 5.08 -1.09 -2.49 114.58 117.11 3k5n h GLU 337 Ca 0.30 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 3k5n h GLU 337 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3k5n h GLU 337 CO -0.06 0.29 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.44 3k5n h LEU 338 N 0.00 0.62 -0.23 1.33 -0.00 -1.13 0.19 115.31 116.09 3k5n h LEU 338 Ca -0.00 -0.40 -0.08 0.00 -0.00 0.00 0.00 57.88 57.40 3k5n h LEU 338 Cb 0.72 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 3k5n h LEU 338 CO 0.04 1.15 -0.17 0.58 -0.00 0.00 0.00 178.44 180.04 3k5n h VAL 339 N 0.36 1.31 0.21 1.22 2.07 -1.47 0.48 116.25 120.43 3k5n h VAL 339 Ca -0.03 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3k5n h VAL 339 Cb 1.32 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 3k5n h VAL 339 CO 0.13 0.40 -0.32 0.74 0.02 0.00 0.00 177.57 178.54 3k5n h THR 340 N 0.23 0.32 -0.90 2.57 2.02 -1.32 0.32 112.91 116.15 3k5n h THR 340 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.34 3k5n h THR 340 Cb 0.69 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 3k5n h THR 340 CO 0.04 0.00 0.53 1.56 0.37 0.00 0.00 175.52 178.02 3k5n h GLN 341 N -0.61 0.82 -0.47 6.66 4.20 -0.40 -1.19 115.11 124.12 3k5n h GLN 341 Ca 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3k5n h GLN 341 Cb 0.59 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3k5n h GLN 341 CO -0.13 0.54 0.17 0.82 -0.67 0.00 0.00 178.83 179.56 3k5n h ILE 342 N 0.84 1.22 -1.00 2.54 2.04 0.79 -1.58 117.51 122.36 3k5n h ILE 342 Ca 0.45 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.74 3k5n h ILE 342 Cb 0.46 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 3k5n h ILE 342 CO -0.27 0.26 0.63 -0.26 0.00 0.00 0.00 178.15 178.51 3k5n h PHE 343 N 0.63 1.14 -0.07 1.37 0.04 0.84 0.16 116.94 121.05 3k5n h PHE 343 Ca 0.16 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3k5n h PHE 343 Cb 0.23 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.02 3k5n h PHE 343 CO 0.01 0.45 -0.13 0.45 -0.60 0.00 0.00 178.31 178.49 3k5n h HIS 344 N 0.99 0.27 -0.26 -0.55 3.86 -1.10 0.19 115.15 118.54 3k5n h HIS 344 Ca 0.50 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.59 3k5n h HIS 344 Cb 0.50 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3k5n h HIS 344 CO -0.00 0.72 0.05 -0.22 0.86 0.00 0.00 177.93 179.34 3k5n h LYS 345 N -0.27 0.43 -0.43 2.45 1.63 -0.81 -2.87 116.57 116.70 3k5n h LYS 345 Ca 0.00 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 3k5n h LYS 345 Cb 0.70 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3k5n h LYS 345 CO 0.03 0.54 -0.20 1.79 -3.45 0.00 0.00 179.45 178.15 3k5n h THR 346 N 0.25 1.27 -0.09 1.00 1.35 -0.79 -3.47 112.91 112.43 3k5n h THR 346 Ca 0.08 -1.35 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 3k5n h THR 346 Cb 0.31 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3k5n h THR 346 CO 0.00 0.46 -0.02 1.21 -0.25 0.00 0.00 175.52 176.92 3k5n n GLU 347 N -4.19 -0.06 0.03 4.72 2.13 0.66 -4.96 120.64 118.98 3k5n n GLU 347 Ca -0.01 0.12 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 3k5n n GLU 347 Cb 0.44 -3.66 0.03 0.00 0.27 0.00 0.00 31.44 28.52 3k5n n GLU 347 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3k5n h ILE 348 N 0.00 1.35 -0.44 6.31 3.07 -1.87 -3.13 117.51 122.79 3k5n h ILE 348 Ca -0.02 -2.00 0.09 0.00 1.55 0.00 0.00 64.86 64.48 3k5n h ILE 348 Cb 0.85 1.98 -0.09 0.00 -0.27 0.00 0.00 36.82 39.28 3k5n h ILE 348 CO 0.02 0.61 -0.19 -0.03 -1.05 0.00 0.00 178.15 177.51 3k5n h MET 349 N 0.35 -0.10 -0.74 0.16 4.05 -1.93 1.53 114.93 118.25 3k5n h MET 349 Ca -0.02 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 3k5n h MET 349 Cb 1.24 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 3k5n h MET 349 CO 0.12 -0.07 0.48 -1.35 0.23 0.00 0.00 176.91 176.33 3k5n h PRO 350 N -0.11 0.79 0.00 0.39 0.11 -1.93 0.13 132.00 131.39 3k5n h PRO 350 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3k5n h PRO 350 Cb 0.43 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3k5n h PRO 350 CO -0.51 0.53 -0.05 0.35 -0.21 0.00 0.00 178.00 178.11 3k5n h PHE 351 N 0.82 0.00 0.00 0.65 -0.00 0.33 -2.52 116.94 116.22 3k5n h PHE 351 Ca 0.31 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 58.13 3k5n h PHE 351 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.11 3k5n h PHE 351 CO -0.00 0.05 -0.73 -0.07 -0.00 0.00 0.00 178.31 177.56 3k5n h LEU 352 N 0.00 0.00 0.09 0.59 3.38 0.39 -2.80 115.31 116.95 3k5n h LEU 352 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3k5n h LEU 352 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3k5n h LEU 352 CO 0.01 0.73 -1.28 -0.07 0.09 0.00 0.00 178.44 177.92 3k5n h LEU 353 N 0.00 0.29 -0.65 1.67 3.38 -1.39 -2.50 115.31 116.13 3k5n h LEU 353 Ca -0.01 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 3k5n h LEU 353 Cb 1.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3k5n h LEU 353 CO 0.09 1.27 -0.51 -0.08 0.09 0.00 0.00 178.44 179.31 3k5n h GLU 354 N 0.05 0.43 -0.07 1.13 4.57 -1.46 -1.12 114.58 118.12 3k5n h GLU 354 Ca -0.14 -0.26 -0.25 0.00 -1.18 0.00 0.00 59.36 57.54 3k5n h GLU 354 Cb 1.94 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 30.57 3k5n h GLU 354 CO 0.17 0.84 -0.93 0.07 -1.18 0.00 0.00 179.01 177.98 3k5n h ARG 355 N 0.34 0.74 -0.23 1.92 0.11 -1.54 -2.84 114.38 112.88 3k5n h ARG 355 Ca 0.01 -0.70 0.04 0.00 0.10 0.00 0.00 59.98 59.43 3k5n h ARG 355 Cb 1.01 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 3k5n h ARG 355 CO 0.09 1.29 0.16 0.00 0.10 0.00 0.00 179.97 181.61 3k5n h ALA 356 N 0.48 2.03 -0.72 0.08 0.00 -1.37 0.42 119.26 120.18 3k5n h ALA 356 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3k5n h ALA 356 Cb 1.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3k5n h ALA 356 CO 0.19 -0.08 0.32 1.15 0.00 0.00 0.00 179.25 180.83 3k5n h THR 357 N 0.15 1.24 0.02 0.00 2.02 -0.98 -1.81 112.91 113.56 3k5n h THR 357 Ca 0.10 -0.72 -0.22 0.00 0.77 0.00 0.00 66.41 66.34 3k5n h THR 357 Cb 0.22 0.38 0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3k5n h THR 357 CO -0.02 0.30 -0.87 0.58 0.37 0.00 0.00 175.52 175.88 3k5n h VAL 358 N 1.02 1.35 0.00 3.16 2.07 -0.13 -3.37 116.25 120.35 3k5n h VAL 358 Ca 0.24 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3k5n h VAL 358 Cb 0.17 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3k5n h VAL 358 CO -0.03 0.66 -0.70 -0.46 0.02 0.00 0.00 177.57 177.06 3k5n n ASN 359 N -4.01 0.65 0.00 0.57 6.94 0.65 -4.95 115.26 115.11 3k5n n ASN 359 Ca -0.11 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 3k5n n ASN 359 Cb 0.80 0.32 0.00 0.00 -2.36 0.00 0.00 39.78 38.54 3k5n n ASN 359 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k5n n GLY 360 N 1.36 0.71 3.94 4.83 0.00 -0.68 -4.67 105.19 110.67 3k5n n GLY 360 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3k5n n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5n s LEU 361 N 0.00 3.99 0.33 0.99 1.43 -1.26 -4.91 118.68 119.25 3k5n s LEU 361 Ca 0.00 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 3k5n s LEU 361 Cb 0.00 -3.38 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 3k5n s LEU 361 CO 0.00 -0.31 1.50 -2.84 0.23 0.00 0.00 176.35 174.94 3k5n s PRO 362 N -4.26 4.16 0.50 1.29 0.02 -1.26 -4.76 135.00 130.69 3k5n s PRO 362 Ca 0.41 2.50 0.16 0.00 0.02 0.00 0.00 61.00 64.09 3k5n s PRO 362 Cb -0.10 -3.02 1.21 0.00 0.02 0.00 0.00 34.50 32.62 3k5n s PRO 362 CO 0.36 -0.52 2.11 -0.39 -0.33 0.00 0.00 177.00 178.23 3k5n h VAL 363 N 3.20 0.98 0.00 3.83 -1.51 -1.88 0.77 116.25 121.64 3k5n h VAL 363 Ca -0.49 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3k5n h VAL 363 Cb 1.23 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3k5n h VAL 363 CO 0.71 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.54 3k5n n ASP 364 N -4.51 0.22 -4.56 4.19 10.43 -1.26 -4.63 116.55 116.43 3k5n n ASP 364 Ca -0.00 0.58 -0.41 0.00 2.57 0.00 0.00 54.79 57.53 3k5n n ASP 364 Cb 0.16 -0.62 -0.08 0.00 1.84 0.00 0.00 41.12 42.42 3k5n n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3k5n s ARG 365 N -3.16 3.64 0.03 -1.24 3.52 0.27 -5.01 118.95 117.00 3k5n s ARG 365 Ca 0.02 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 3k5n s ARG 365 Cb 0.05 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3k5n s ARG 365 CO 0.17 -0.61 0.01 -1.01 -0.81 0.00 0.00 175.30 173.05 3k5n s HIS 366 N 2.34 3.06 0.00 5.12 3.76 -1.26 -4.83 115.29 123.47 3k5n s HIS 366 Ca 0.18 0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 3k5n s HIS 366 Cb -0.16 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.91 3k5n s HIS 366 CO 0.13 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.90 3k5n n GLY 367 N 1.05 -0.41 3.25 -2.22 0.00 -1.26 -5.05 105.19 100.56 3k5n n GLY 367 Ca -0.13 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 3k5n n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5n n GLY 368 N 0.00 -0.39 0.18 -0.02 0.00 -1.26 -4.94 105.19 98.75 3k5n n GLY 368 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3k5n n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k5n h SER 369 N -2.13 0.58 -0.80 1.61 0.02 -1.98 -1.77 113.55 109.09 3k5n h SER 369 Ca -0.50 -0.50 -0.02 0.00 -0.84 0.00 0.00 61.79 59.93 3k5n h SER 369 Cb 1.33 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 3k5n h SER 369 CO 0.50 0.96 0.42 0.58 -1.14 0.00 0.00 176.83 178.16 3k5n h VAL 370 N 0.22 1.24 -0.99 2.27 2.07 -1.94 0.31 116.25 119.44 3k5n h VAL 370 Ca 0.03 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.02 3k5n h VAL 370 Cb 0.81 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3k5n h VAL 370 CO 0.06 0.27 0.63 0.00 0.02 0.00 0.00 177.57 178.55 3k5n h ALA 371 N 1.22 1.42 0.04 1.67 0.00 -1.92 -0.90 119.26 120.79 3k5n h ALA 371 Ca 0.28 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3k5n h ALA 371 Cb 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k5n h ALA 371 CO -0.04 0.33 -0.49 0.00 0.00 0.00 0.00 179.25 179.05 3k5n h ALA 372 N 1.49 0.01 -0.69 0.00 0.00 -0.47 -2.51 119.26 117.09 3k5n h ALA 372 Ca 0.45 -0.56 0.15 0.00 0.00 0.00 0.00 54.91 54.95 3k5n h ALA 372 Cb 0.31 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 3k5n h ALA 372 CO -0.22 0.24 -0.08 0.35 0.00 0.00 0.00 179.25 179.54 3k5n h PHE 373 N -0.39 -0.21 -0.82 0.00 3.57 -0.61 0.73 116.94 119.22 3k5n h PHE 373 Ca -0.07 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3k5n h PHE 373 Cb 1.27 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 40.13 3k5n h PHE 373 CO 0.18 -0.26 0.45 0.78 -2.23 0.00 0.00 178.31 177.24 3k5n h GLY 374 N 0.05 1.28 0.95 2.40 0.00 -1.16 0.20 103.07 106.80 3k5n h GLY 374 Ca 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3k5n h GLY 374 CO -0.66 0.08 0.18 0.84 0.00 0.00 0.00 176.54 176.97 3k5n h HIS 375 N 0.72 0.54 -0.13 5.60 -0.00 0.88 -1.42 115.15 121.33 3k5n h HIS 375 Ca 0.41 -0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.53 3k5n h HIS 375 Cb 0.44 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.70 3k5n h HIS 375 CO -0.07 0.45 -0.81 -0.07 -0.00 0.00 0.00 177.93 177.43 3k5n h LEU 376 N 0.46 0.93 -0.99 0.26 4.07 -0.77 -3.31 115.31 115.95 3k5n h LEU 376 Ca 0.13 -0.65 -0.10 0.00 0.08 0.00 0.00 57.88 57.34 3k5n h LEU 376 Cb 0.12 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3k5n h LEU 376 CO -0.02 1.43 -0.33 0.22 -1.08 0.00 0.00 178.44 178.67 3k5n h TYR 377 N 0.50 0.36 0.29 1.13 3.20 -0.56 -3.37 116.97 118.52 3k5n h TYR 377 Ca -0.06 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3k5n h TYR 377 Cb 1.44 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 3k5n h TYR 377 CO 0.09 0.62 -0.22 0.74 -1.64 0.00 0.00 178.16 177.75 3k5n h PHE 378 N 0.28 -0.58 -0.80 -3.82 0.05 -1.35 0.16 116.94 110.88 3k5n h PHE 378 Ca 0.04 -0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 3k5n h PHE 378 Cb 0.72 0.22 -0.04 0.00 2.00 0.00 0.00 35.95 38.85 3k5n h PHE 378 CO 0.02 -0.33 0.34 -1.00 -0.18 0.00 0.00 178.31 177.15 3k5n h PRO 379 N -0.51 1.18 -0.19 1.51 0.13 -1.75 -1.96 132.00 130.41 3k5n h PRO 379 Ca -0.02 -0.20 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 3k5n h PRO 379 Cb 0.45 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 3k5n h PRO 379 CO -0.01 0.94 -0.33 0.00 -0.23 0.00 0.00 178.00 178.38 3k5n h ARG 380 N 1.15 0.39 -0.38 0.86 3.08 -1.70 -2.68 114.38 115.11 3k5n h ARG 380 Ca 0.27 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3k5n h ARG 380 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3k5n h ARG 380 CO -0.03 0.68 -0.30 0.00 -1.07 0.00 0.00 179.97 179.25 3k5n h MET 381 N 0.34 0.87 -0.01 0.04 -0.00 -0.40 -2.86 114.93 112.91 3k5n h MET 381 Ca 0.04 -0.43 0.00 0.00 -0.00 0.00 0.00 59.70 59.31 3k5n h MET 381 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.34 3k5n h MET 381 CO 0.06 1.08 0.01 0.45 -0.00 0.00 0.00 176.91 178.50 3k5n h HIS 382 N 0.68 0.01 0.00 -0.10 3.86 -1.27 0.40 115.15 118.72 3k5n h HIS 382 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3k5n h HIS 382 Cb 0.89 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3k5n h HIS 382 CO 0.06 0.03 0.16 0.54 0.86 0.00 0.00 177.93 179.58 3k5n n ARG 383 N -5.07 0.05 -0.19 2.45 1.74 -1.02 0.44 116.66 115.06 3k5n n ARG 383 Ca -0.07 0.47 0.11 0.00 -0.77 0.00 0.00 57.85 57.60 3k5n n ARG 383 Cb 0.04 -1.82 0.26 0.00 -1.02 0.00 0.00 32.46 29.92 3k5n n ARG 383 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k5n n ALA 384 N -1.50 2.44 -1.00 7.54 0.00 0.14 -4.94 120.51 123.19 3k5n n ALA 384 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.54 3k5n n ALA 384 Cb 0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3k5n n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5n n GLY 385 N 1.41 0.45 3.55 0.00 0.00 1.51 -5.04 105.19 107.07 3k5n n GLY 385 Ca 0.19 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 3k5n n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5n s TYR 386 N -2.00 2.41 0.01 1.61 2.02 -1.07 -1.25 117.35 119.07 3k5n s TYR 386 Ca 0.00 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3k5n s TYR 386 Cb 0.00 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3k5n s TYR 386 CO 0.00 0.58 -0.15 0.08 -1.57 0.00 0.00 175.55 174.49 3k5n s VAL 387 N -2.61 1.18 0.39 0.71 1.01 -0.89 -3.63 120.40 116.56 3k5n s VAL 387 Ca 0.33 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 3k5n s VAL 387 Cb 0.02 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3k5n s VAL 387 CO 0.17 0.23 1.29 0.00 0.00 0.00 0.00 175.10 176.78 3k5n s ALA 388 N -0.52 3.30 1.00 5.51 0.00 -1.26 -3.79 121.76 126.00 3k5n s ALA 388 Ca 0.05 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3k5n s ALA 388 Cb -0.06 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3k5n s ALA 388 CO 0.00 -0.75 0.00 -0.35 0.00 0.00 0.00 175.76 174.66 3k5n n PRO 389 N 0.27 1.81 -4.24 0.00 -0.04 -1.26 -4.49 135.00 127.05 3k5n n PRO 389 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 3k5n n PRO 389 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 3k5n n PRO 389 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3k5n s ASN 390 N -1.55 0.64 -0.24 3.54 -0.87 -1.26 -4.65 114.94 110.54 3k5n s ASN 390 Ca 0.00 -1.46 -0.29 0.00 -1.57 0.00 0.00 52.86 49.54 3k5n s ASN 390 Cb 0.00 0.38 -0.03 0.00 -0.02 0.00 0.00 41.25 41.58 3k5n s ASN 390 CO 0.00 -0.86 1.69 -0.22 -2.57 0.00 0.00 177.10 175.13 3k5n s LEU 391 N -3.23 3.79 0.00 0.60 2.96 -1.26 -3.63 118.68 117.90 3k5n s LEU 391 Ca 0.39 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 3k5n s LEU 391 Cb 0.06 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3k5n s LEU 391 CO 0.15 -1.39 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 3k5n n GLY 392 N 4.90 0.60 0.28 7.98 0.00 -1.26 -4.96 105.19 112.72 3k5n n GLY 392 Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3k5n n GLY 392 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k5n h GLU 393 N 4.72 0.00 -5.70 1.61 4.11 -1.96 -3.42 114.58 113.94 3k5n h GLU 393 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 3k5n h GLU 393 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 3k5n h GLU 393 CO 0.00 0.08 -0.84 0.08 0.07 0.00 0.00 179.01 178.40 3k5n s VAL 394 N -3.99 1.41 0.27 -1.06 1.01 -1.26 -5.15 120.40 111.63 3k5n s VAL 394 Ca -0.02 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3k5n s VAL 394 Cb 0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3k5n s VAL 394 CO 0.55 0.40 -0.02 -2.84 0.00 0.00 0.00 175.10 173.18 3k5n s PRO 395 N -0.42 2.21 0.55 2.72 0.02 -1.26 -4.95 135.00 133.87 3k5n s PRO 395 Ca 0.07 -1.48 -0.20 0.00 0.02 0.00 0.00 61.00 59.40 3k5n s PRO 395 Cb -0.07 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 3k5n s PRO 395 CO -0.01 0.34 1.22 -1.25 -0.33 0.00 0.00 177.00 176.98 3k5n s PRO 396 N -3.66 3.20 0.00 5.54 0.04 -1.26 -4.75 135.00 134.11 3k5n s PRO 396 Ca 0.32 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3k5n s PRO 396 Cb -0.06 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3k5n s PRO 396 CO 0.19 -1.04 0.00 0.72 0.04 0.00 0.00 177.00 176.92 3k5n n HIS 397 N -1.21 0.00 0.00 0.56 -0.00 -1.26 -5.09 115.22 108.21 3k5n n HIS 397 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 3k5n n HIS 397 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 3k5n n HIS 397 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3k5n n ASP 406 N 0.00 1.29 -4.66 0.41 9.92 -1.26 -5.12 116.55 117.13 3k5n n ASP 406 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 3k5n n ASP 406 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 3k5n n ASP 406 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3k5n s SER 407 N 1.83 5.94 -0.50 -2.24 1.04 -1.26 -4.40 113.70 114.13 3k5n s SER 407 Ca 0.00 0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.37 3k5n s SER 407 Cb 0.00 -2.05 0.06 0.00 0.10 0.00 0.00 66.02 64.13 3k5n s SER 407 CO 0.00 0.13 0.57 -0.13 0.98 0.00 0.00 173.24 174.79 3k5n s ARG 408 N 0.66 3.09 -0.04 4.02 1.81 -0.86 -5.02 118.95 122.61 3k5n s ARG 408 Ca 0.06 -0.99 -0.30 0.00 -1.72 0.00 0.00 55.73 52.78 3k5n s ARG 408 Cb -0.12 -4.10 -0.03 0.00 -0.45 0.00 0.00 34.95 30.25 3k5n s ARG 408 CO 0.01 -1.17 1.03 -2.14 -0.68 0.00 0.00 175.30 172.36 3k5n s PRO 409 N 2.39 4.48 0.00 3.54 0.02 -1.26 -4.90 135.00 139.27 3k5n s PRO 409 Ca 0.12 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 3k5n s PRO 409 Cb -0.20 -3.49 0.11 0.00 0.02 0.00 0.00 34.50 30.94 3k5n s PRO 409 CO 0.11 -0.20 1.26 0.20 -0.33 0.00 0.00 177.00 178.03 3k5n s GLY 410 N 1.09 -0.33 -0.25 0.52 0.00 -1.18 -5.04 107.32 102.12 3k5n s GLY 410 Ca 0.52 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 45.64 3k5n s GLY 410 CO 0.24 1.14 0.14 -2.27 0.00 0.00 0.00 173.10 172.35 3k5n s LEU 411 N -3.14 3.90 0.12 0.66 1.98 -1.26 -3.32 118.68 117.62 3k5n s LEU 411 Ca 0.17 -0.01 0.05 0.00 -2.89 0.00 0.00 54.13 51.45 3k5n s LEU 411 Cb 0.03 -2.06 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 3k5n s LEU 411 CO -0.03 0.01 -0.12 -0.31 -1.89 0.00 0.00 176.35 174.02 3k5n s TYR 412 N 1.39 1.26 -0.00 5.38 2.02 0.98 -4.94 117.35 123.43 3k5n s TYR 412 Ca 0.07 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3k5n s TYR 412 Cb -0.15 -0.66 -0.00 0.00 -0.40 0.00 0.00 41.96 40.75 3k5n s TYR 412 CO 0.07 0.09 -0.04 0.16 -1.57 0.00 0.00 175.55 174.25 3k5n s ASP 413 N -2.69 0.50 0.28 2.29 -4.77 -1.23 0.76 116.67 111.81 3k5n s ASP 413 Ca 0.11 -0.08 0.08 0.00 -3.30 0.00 0.00 52.55 49.36 3k5n s ASP 413 Cb -0.02 -0.07 -0.04 0.00 -1.09 0.00 0.00 42.92 41.70 3k5n s ASP 413 CO 0.01 0.04 0.10 -0.94 0.70 0.00 0.00 175.17 175.09 3k5n s SER 414 N -0.04 4.94 0.07 2.11 1.04 -0.93 -4.09 113.70 116.80 3k5n s SER 414 Ca 0.01 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.93 3k5n s SER 414 Cb -0.02 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 3k5n s SER 414 CO -0.00 -0.08 -0.07 0.54 0.98 0.00 0.00 173.24 174.62 3k5n s VAL 415 N -2.27 0.55 0.07 5.02 0.11 0.18 -3.44 120.40 120.62 3k5n s VAL 415 Ca 0.33 -1.50 0.07 0.00 -2.93 0.00 0.00 61.98 57.95 3k5n s VAL 415 Cb -0.06 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 3k5n s VAL 415 CO 0.22 -0.65 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.42 3k5n s LEU 416 N -2.32 2.73 -0.16 2.54 1.02 0.33 0.13 118.68 122.95 3k5n s LEU 416 Ca 0.01 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.72 3k5n s LEU 416 Cb -0.02 -1.59 0.02 0.00 0.02 0.00 0.00 46.19 44.63 3k5n s LEU 416 CO -0.03 0.23 -0.15 -0.69 0.02 0.00 0.00 176.35 175.72 3k5n s VAL 417 N -1.03 1.68 -0.05 -1.59 1.01 0.91 -1.71 120.40 119.62 3k5n s VAL 417 Ca 0.17 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3k5n s VAL 417 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3k5n s VAL 417 CO 0.08 0.47 -0.12 -1.48 0.00 0.00 0.00 175.10 174.05 3k5n s LEU 418 N 1.44 1.69 0.30 3.92 0.05 -1.25 0.06 118.68 124.90 3k5n s LEU 418 Ca 0.05 -0.28 0.11 0.00 0.05 0.00 0.00 54.13 54.06 3k5n s LEU 418 Cb -0.13 -0.78 -0.05 0.00 -2.05 0.00 0.00 46.19 43.18 3k5n s LEU 418 CO -0.11 0.05 -0.16 -1.81 -0.55 0.00 0.00 176.35 173.77 3k5n s ASP 419 N 0.50 3.70 -0.21 1.48 1.01 0.22 -3.60 116.67 119.77 3k5n s ASP 419 Ca -0.11 -1.05 -0.10 0.00 0.71 0.00 0.00 52.55 52.00 3k5n s ASP 419 Cb -0.14 -0.35 -0.05 0.00 1.01 0.00 0.00 42.92 43.39 3k5n s ASP 419 CO 0.03 -0.03 0.13 -0.31 0.21 0.00 0.00 175.17 175.20 3k5n s TYR 420 N -2.52 3.35 0.11 4.23 2.02 -1.19 0.32 117.35 123.66 3k5n s TYR 420 Ca 0.31 0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.94 3k5n s TYR 420 Cb -0.03 -2.19 -0.08 0.00 -0.40 0.00 0.00 41.96 39.25 3k5n s TYR 420 CO 0.16 0.17 1.49 0.15 -1.57 0.00 0.00 175.55 175.95 3k5n s LYS 421 N 0.65 4.26 -0.68 -0.62 -0.14 -1.16 -3.61 119.74 118.45 3k5n s LYS 421 Ca 0.07 2.19 -0.09 0.00 -1.36 0.00 0.00 55.97 56.78 3k5n s LYS 421 Cb -0.12 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 3k5n s LYS 421 CO 0.01 -0.56 0.44 0.43 -0.76 0.00 0.00 175.35 174.91 3k5n n SER 422 N 4.42 -3.13 0.07 2.83 7.64 -1.26 -4.67 113.62 119.53 3k5n n SER 422 Ca 0.13 -0.77 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 3k5n n SER 422 Cb 0.41 -1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 3k5n n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k5n h LEU 423 N -0.28 -0.36 0.04 -3.43 5.85 -1.98 -2.54 115.31 112.62 3k5n h LEU 423 Ca -0.47 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3k5n h LEU 423 Cb 0.98 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3k5n h LEU 423 CO 0.30 -0.19 -0.02 1.88 -0.34 0.00 0.00 178.44 180.07 3k5n h TYR 424 N -0.24 -0.05 -0.65 1.25 -1.99 -1.93 0.72 116.97 114.07 3k5n h TYR 424 Ca 0.03 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.90 3k5n h TYR 424 Cb 0.27 0.02 -0.10 0.00 2.00 0.00 0.00 36.73 38.92 3k5n h TYR 424 CO -0.16 0.01 0.07 -1.35 -0.00 0.00 0.00 178.16 176.73 3k5n h PRO 425 N -0.10 0.17 -0.47 4.88 0.11 -1.88 1.80 132.00 136.52 3k5n h PRO 425 Ca -0.01 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.19 3k5n h PRO 425 Cb 0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.07 3k5n h PRO 425 CO 0.01 0.12 -0.05 0.66 -0.21 0.00 0.00 178.00 178.52 3k5n h SER 426 N 0.18 -0.30 -0.73 -2.05 4.64 -0.88 1.18 113.55 115.58 3k5n h SER 426 Ca 0.35 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3k5n h SER 426 Cb 0.58 0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 3k5n h SER 426 CO -0.51 -0.11 0.47 0.40 -0.87 0.00 0.00 176.83 176.22 3k5n h ILE 427 N 0.06 1.19 0.30 0.95 2.04 0.30 0.52 117.51 122.87 3k5n h ILE 427 Ca 0.23 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3k5n h ILE 427 Cb 0.35 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3k5n h ILE 427 CO -0.43 0.19 -0.14 0.40 0.00 0.00 0.00 178.15 178.16 3k5n h ILE 428 N 1.00 0.71 0.43 -0.67 1.08 1.11 -0.69 117.51 120.47 3k5n h ILE 428 Ca 0.27 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.67 3k5n h ILE 428 Cb -0.10 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3k5n h ILE 428 CO -0.06 0.01 -0.20 0.03 -0.69 0.00 0.00 178.15 177.24 3k5n h ARG 429 N -0.42 -0.55 -0.65 2.37 3.08 -0.32 -1.00 114.38 116.88 3k5n h ARG 429 Ca -0.04 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3k5n h ARG 429 Cb 0.32 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 30.38 3k5n h ARG 429 CO 0.07 -0.25 -0.10 1.15 -1.07 0.00 0.00 179.97 179.77 3k5n h THR 430 N -0.88 0.39 -0.27 2.04 2.02 -0.90 0.18 112.91 115.49 3k5n h THR 430 Ca -0.06 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3k5n h THR 430 Cb 0.56 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3k5n h THR 430 CO 0.10 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.48 3k5n n PHE 431 N -5.39 0.36 -3.81 3.16 3.72 -0.27 -4.79 117.46 110.44 3k5n n PHE 431 Ca 0.09 -0.18 -0.25 0.00 -0.05 0.00 0.00 57.45 57.06 3k5n n PHE 431 Cb 0.36 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.91 3k5n n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k5n n LEU 432 N 0.52 -2.68 -4.61 4.37 4.77 0.63 -4.91 117.00 115.09 3k5n n LEU 432 Ca 0.15 -0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 3k5n n LEU 432 Cb 0.34 -2.42 -0.06 0.00 -2.33 0.00 0.00 43.42 38.95 3k5n n LEU 432 CO 0.11 0.43 0.39 -0.63 -1.33 0.00 0.00 177.39 176.36 3k5n s ILE 433 N -3.78 4.96 -0.06 -0.08 1.01 -0.61 -4.70 121.20 117.95 3k5n s ILE 433 Ca 0.08 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.51 3k5n s ILE 433 Cb -0.03 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.53 3k5n s ILE 433 CO 0.86 -0.05 0.51 -0.62 0.00 0.00 0.00 174.94 175.64 3k5n s ASP 434 N 1.55 -0.46 0.09 3.58 2.15 -1.26 -4.45 116.67 117.88 3k5n s ASP 434 Ca 0.26 0.52 -0.20 0.00 0.43 0.00 0.00 52.55 53.55 3k5n s ASP 434 Cb -0.15 0.53 -0.09 0.00 -0.30 0.00 0.00 42.92 42.91 3k5n s ASP 434 CO 0.10 -0.48 1.65 -0.65 -0.17 0.00 0.00 175.17 175.61 3k5n h PRO 435 N 3.68 0.28 -0.55 4.34 0.11 -1.95 0.83 132.00 138.74 3k5n h PRO 435 Ca -0.28 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 3k5n h PRO 435 Cb 1.16 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3k5n h PRO 435 CO 0.36 0.33 0.06 -0.24 -0.21 0.00 0.00 178.00 178.31 3k5n h VAL 436 N 0.17 1.26 -0.47 3.15 3.04 -1.98 -2.16 116.25 119.26 3k5n h VAL 436 Ca 0.07 -1.01 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 3k5n h VAL 436 Cb 0.15 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 3k5n h VAL 436 CO -0.01 0.37 0.24 1.23 -1.01 0.00 0.00 177.57 178.39 3k5n h GLY 437 N 0.82 0.69 1.49 3.17 0.00 -1.61 0.32 103.07 107.95 3k5n h GLY 437 Ca 0.16 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3k5n h GLY 437 CO 0.02 0.29 -0.61 -2.00 0.00 0.00 0.00 176.54 174.24 3k5n h LEU 438 N 0.65 0.59 -0.18 3.11 5.85 -0.46 0.47 115.31 125.35 3k5n h LEU 438 Ca 0.17 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3k5n h LEU 438 Cb 0.05 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3k5n h LEU 438 CO -0.03 1.06 -0.25 0.58 -0.34 0.00 0.00 178.44 179.46 3k5n h VAL 439 N 0.39 1.34 -0.26 1.05 2.07 -0.75 -1.51 116.25 118.58 3k5n h VAL 439 Ca -0.00 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 3k5n h VAL 439 Cb 1.16 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3k5n h VAL 439 CO 0.11 0.44 -0.18 -0.08 0.02 0.00 0.00 177.57 177.89 3k5n h GLU 440 N 0.13 0.46 -0.06 1.57 4.57 -0.34 -3.12 114.58 117.80 3k5n h GLU 440 Ca 0.02 -0.15 -0.16 0.00 -1.18 0.00 0.00 59.36 57.89 3k5n h GLU 440 Cb 0.82 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3k5n h GLU 440 CO 0.06 0.63 -0.67 0.78 -1.18 0.00 0.00 179.01 178.62 3k5n h GLY 441 N 0.96 0.29 0.85 1.92 0.00 0.06 -1.99 103.07 105.16 3k5n h GLY 441 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3k5n h GLY 441 CO 0.04 0.35 0.00 -0.13 0.00 0.00 0.00 176.54 176.80 3k5n n MET 442 N -3.83 0.94 0.07 4.80 1.56 -0.58 -1.53 117.12 118.55 3k5n n MET 442 Ca -0.03 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.20 3k5n n MET 442 Cb 0.67 -1.42 -0.11 0.00 2.15 0.00 0.00 33.22 34.51 3k5n n MET 442 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3k5n h ALA 443 N 3.73 0.11 -2.63 -5.12 0.00 -1.31 -3.41 119.26 110.62 3k5n h ALA 443 Ca 0.00 -0.74 -0.52 0.00 0.00 0.00 0.00 54.91 53.65 3k5n h ALA 443 Cb 0.00 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.47 3k5n h ALA 443 CO 0.00 0.72 -0.78 -0.65 0.00 0.00 0.00 179.25 178.53 3k5n s GLN 444 N -3.15 0.33 -1.55 0.00 -0.21 -0.58 -5.02 119.66 109.48 3k5n s GLN 444 Ca -0.09 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.45 3k5n s GLN 444 Cb 0.07 -1.14 -0.03 0.00 1.00 0.00 0.00 33.01 32.91 3k5n s GLN 444 CO 0.92 -1.09 2.78 -2.30 -2.12 0.00 0.00 175.29 173.48 3k5n n PRO 445 N 4.85 3.84 -4.35 2.91 -0.02 -1.17 -4.73 135.00 136.32 3k5n n PRO 445 Ca 0.01 -2.52 -0.32 0.00 -2.02 0.00 0.00 63.50 58.65 3k5n n PRO 445 Cb 0.41 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 30.93 3k5n n PRO 445 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k5n s ASP 446 N 1.83 2.94 0.63 2.55 1.01 -1.26 -4.95 116.67 119.41 3k5n s ASP 446 Ca 0.65 -0.57 0.25 0.00 0.71 0.00 0.00 52.55 53.59 3k5n s ASP 446 Cb 0.18 -1.35 1.26 0.00 1.01 0.00 0.00 42.92 44.01 3k5n s ASP 446 CO -0.07 0.02 1.71 -0.65 0.21 0.00 0.00 175.17 176.39 3k5n h PRO 447 N 7.66 0.00 -0.29 8.23 0.11 -1.88 0.55 132.00 146.37 3k5n h PRO 447 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k5n h PRO 447 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3k5n h PRO 447 CO 0.57 0.00 0.19 1.49 -0.21 0.00 0.00 178.00 180.03 3k5n h GLU 448 N 0.00 0.37 -2.39 1.05 4.81 -1.95 -3.28 114.58 113.19 3k5n h GLU 448 Ca 0.15 -0.02 -0.59 0.00 -0.13 0.00 0.00 59.36 58.77 3k5n h GLU 448 Cb 1.36 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 30.25 3k5n h GLU 448 CO -0.00 0.25 -0.86 -2.39 -0.73 0.00 0.00 179.01 175.28 3k5n n HIS 449 N -4.89 0.94 -0.05 0.92 1.44 0.18 -5.02 115.22 108.75 3k5n n HIS 449 Ca -0.01 -3.74 0.00 0.00 -2.01 0.00 0.00 57.72 51.95 3k5n n HIS 449 Cb 0.03 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 29.90 3k5n n HIS 449 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3k5n n SER 450 N 1.90 0.00 -3.87 4.39 7.64 -0.81 -4.12 113.62 118.75 3k5n n SER 450 Ca 0.25 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 3k5n n SER 450 Cb 0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 3k5n n SER 450 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3k5n s THR 451 N -2.01 0.07 0.30 0.44 2.01 -0.97 -4.62 115.64 110.85 3k5n s THR 451 Ca 0.00 -1.15 0.09 0.00 0.31 0.00 0.00 61.69 60.94 3k5n s THR 451 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3k5n s THR 451 CO 0.00 -0.32 0.05 -1.83 -0.69 0.00 0.00 174.62 171.83 3k5n s GLU 452 N -3.92 2.31 0.24 4.92 -1.05 -1.26 -1.64 118.70 118.30 3k5n s GLU 452 Ca 0.12 -1.49 -0.05 0.00 -0.15 0.00 0.00 54.97 53.40 3k5n s GLU 452 Cb 0.02 -2.15 -0.02 0.00 -0.44 0.00 0.00 34.13 31.54 3k5n s GLU 452 CO -0.03 0.26 0.29 0.20 0.95 0.00 0.00 175.26 176.93 3k5n s GLY 453 N -3.74 1.15 0.51 -3.83 0.00 0.12 -4.93 107.32 96.60 3k5n s GLY 453 Ca 0.34 -1.40 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 3k5n s GLY 453 CO 0.21 -1.08 1.15 -1.36 0.00 0.00 0.00 173.10 172.02 3k5n s PHE 454 N -3.98 2.74 0.00 1.90 2.99 -1.26 -2.00 117.98 118.36 3k5n s PHE 454 Ca 0.32 1.54 0.00 0.00 0.00 0.00 0.00 56.93 58.79 3k5n s PHE 454 Cb 0.03 -3.35 0.00 0.00 0.00 0.00 0.00 43.02 39.70 3k5n s PHE 454 CO 0.12 -1.61 0.00 1.28 -0.00 0.00 0.00 175.22 175.02 3k5n n LEU 455 N -0.96 0.00 0.00 -0.37 4.77 -1.26 -3.24 117.00 115.95 3k5n n LEU 455 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3k5n n LEU 455 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3k5n n LEU 455 CO 0.45 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.98 3k5n n ASP 456 N 0.83 -2.40 -4.76 -1.43 8.00 -1.12 -4.98 116.55 110.69 3k5n n ASP 456 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3k5n n ASP 456 Cb 0.00 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 3k5n n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k5n s ALA 457 N -2.08 3.65 -0.09 2.24 0.00 -0.85 -4.82 121.76 119.82 3k5n s ALA 457 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.51 3k5n s ALA 457 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3k5n s ALA 457 CO 0.00 -0.97 -0.14 -1.58 0.00 0.00 0.00 175.76 173.07 3k5n s TRP 458 N -0.54 1.73 -0.13 0.00 0.52 -1.26 0.14 118.94 119.39 3k5n s TRP 458 Ca 0.58 -0.75 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 3k5n s TRP 458 Cb -0.46 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3k5n s TRP 458 CO 0.54 -0.39 -0.12 -0.06 0.02 0.00 0.00 176.95 176.94 3k5n s PHE 459 N 0.90 2.85 0.27 -1.98 0.08 -0.65 -3.83 117.98 115.62 3k5n s PHE 459 Ca -0.09 -0.59 -0.31 0.00 0.12 0.00 0.00 56.93 56.06 3k5n s PHE 459 Cb -0.15 -1.86 -0.12 0.00 -0.57 0.00 0.00 43.02 40.32 3k5n s PHE 459 CO 0.00 -0.19 1.58 0.45 -0.10 0.00 0.00 175.22 176.97 3k5n n SER 460 N 3.53 3.69 -0.09 1.36 2.88 -0.49 -2.28 113.62 122.22 3k5n n SER 460 Ca -0.18 1.13 -0.10 0.00 -1.33 0.00 0.00 58.87 58.40 3k5n n SER 460 Cb 0.53 -1.56 0.05 0.00 -0.75 0.00 0.00 64.21 62.47 3k5n n SER 460 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3k5n h ARG 461 N 4.97 0.81 0.00 -1.46 2.47 -1.87 -3.37 114.38 115.93 3k5n h ARG 461 Ca -0.46 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 57.88 3k5n h ARG 461 Cb 1.23 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3k5n h ARG 461 CO 0.81 1.01 0.00 0.39 0.56 0.00 0.00 179.97 182.74 3k5n n GLU 462 N -4.08 1.26 -3.21 0.04 1.02 -1.26 -4.87 120.64 109.55 3k5n n GLU 462 Ca -0.01 -0.24 -0.45 0.00 -0.02 0.00 0.00 57.16 56.44 3k5n n GLU 462 Cb 0.49 -0.69 -0.00 0.00 -0.02 0.00 0.00 31.44 31.22 3k5n n GLU 462 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3k5n s LYS 463 N -0.25 4.15 0.30 3.49 2.47 -1.26 -5.00 119.74 123.64 3k5n s LYS 463 Ca 0.00 -2.98 0.03 0.00 -1.56 0.00 0.00 55.97 51.46 3k5n s LYS 463 Cb 0.00 -4.72 -0.06 0.00 -1.46 0.00 0.00 37.83 31.59 3k5n s LYS 463 CO 0.00 -1.42 0.05 -1.01 0.16 0.00 0.00 175.35 173.13 3k5n s HIS 464 N -0.27 1.84 0.05 4.03 3.76 -1.26 -3.77 115.29 119.67 3k5n s HIS 464 Ca 0.34 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 3k5n s HIS 464 Cb -0.08 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.46 3k5n s HIS 464 CO -0.05 -0.04 0.00 0.00 -0.85 0.00 0.00 174.74 173.80 3k5n h LEU 466 N 0.00 -0.51 -0.75 0.00 7.12 -1.97 -0.51 115.31 118.69 3k5n h LEU 466 Ca 0.00 -0.07 0.17 0.00 0.13 0.00 0.00 57.88 58.11 3k5n h LEU 466 Cb 0.14 0.13 -0.12 0.00 -0.53 0.00 0.00 40.66 40.29 3k5n h LEU 466 CO 0.00 -0.22 0.16 -0.65 -0.13 0.00 0.00 178.44 177.60 3k5n h PRO 467 N -0.79 0.23 -0.47 5.25 0.11 -1.82 1.39 132.00 135.90 3k5n h PRO 467 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3k5n h PRO 467 Cb 0.55 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3k5n h PRO 467 CO 0.10 0.15 0.30 0.93 -0.21 0.00 0.00 178.00 179.27 3k5n h GLU 468 N 0.24 0.62 -0.01 1.05 5.08 -1.88 0.31 114.58 119.99 3k5n h GLU 468 Ca 0.43 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 3k5n h GLU 468 Cb 0.75 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3k5n h GLU 468 CO -0.54 0.42 -0.18 0.82 -1.00 0.00 0.00 179.01 178.53 3k5n h ILE 469 N 0.64 1.54 -0.60 3.13 2.04 0.32 -3.02 117.51 121.56 3k5n h ILE 469 Ca 0.17 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 3k5n h ILE 469 Cb -0.05 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 3k5n h ILE 469 CO -0.03 0.50 0.12 0.58 0.00 0.00 0.00 178.15 179.31 3k5n h VAL 470 N -0.53 1.25 -0.03 1.67 2.07 0.53 -1.91 116.25 119.31 3k5n h VAL 470 Ca -0.02 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3k5n h VAL 470 Cb 0.91 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3k5n h VAL 470 CO 0.04 0.35 -0.18 0.71 0.02 0.00 0.00 177.57 178.51 3k5n h THR 471 N 0.88 0.57 -0.72 2.57 1.35 -0.49 0.76 112.91 117.83 3k5n h THR 471 Ca 0.18 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.08 3k5n h THR 471 Cb 0.39 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.33 3k5n h THR 471 CO 0.01 0.00 0.44 0.78 -0.25 0.00 0.00 175.52 176.50 3k5n h ASN 472 N -0.27 0.72 -0.72 5.36 2.35 -1.37 -1.13 115.58 120.52 3k5n h ASN 472 Ca 0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3k5n h ASN 472 Cb 0.36 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3k5n h ASN 472 CO -0.19 0.49 0.25 0.40 -1.65 0.00 0.00 177.43 176.73 3k5n h ILE 473 N 0.85 1.25 -0.57 2.81 2.04 -0.64 -1.71 117.51 121.55 3k5n h ILE 473 Ca 0.29 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3k5n h ILE 473 Cb 0.05 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3k5n h ILE 473 CO -0.12 0.33 0.26 -0.25 0.00 0.00 0.00 178.15 178.37 3k5n h TRP 474 N 1.04 0.47 -0.90 1.37 2.91 0.16 0.28 115.95 121.29 3k5n h TRP 474 Ca 0.23 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.30 3k5n h TRP 474 Cb 0.26 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.74 3k5n h TRP 474 CO 0.02 0.19 0.59 0.45 -1.03 0.00 0.00 178.44 178.67 3k5n h HIS 475 N 0.49 1.12 0.01 2.65 3.86 -0.55 -2.63 115.15 120.10 3k5n h HIS 475 Ca 0.27 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 3k5n h HIS 475 Cb 0.24 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3k5n h HIS 475 CO -0.12 0.69 -0.05 0.78 0.86 0.00 0.00 177.93 180.09 3k5n h GLY 476 N 1.19 -0.06 -0.18 2.45 0.00 -0.11 0.34 103.07 106.69 3k5n h GLY 476 Ca 0.34 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.76 3k5n h GLY 476 CO -0.08 -0.05 -0.53 -0.09 0.00 0.00 0.00 176.54 175.78 3k5n h ARG 477 N -0.09 -0.51 0.38 4.80 1.12 -0.97 1.54 114.38 120.66 3k5n h ARG 477 Ca 0.02 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 3k5n h ARG 477 Cb 0.11 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 3k5n h ARG 477 CO -0.04 -0.34 -0.18 -0.44 -3.11 0.00 0.00 179.97 175.86 3k5n h ASP 478 N -0.53 -0.44 -0.47 -3.80 5.19 -1.35 3.25 116.42 118.27 3k5n h ASP 478 Ca 0.05 -0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3k5n h ASP 478 Cb 0.66 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.24 3k5n h ASP 478 CO -0.47 -0.23 0.25 -0.08 -3.12 0.00 0.00 179.24 175.59 3k5n h GLU 479 N -0.62 0.49 -0.70 3.56 4.57 -0.16 -0.75 114.58 120.97 3k5n h GLU 479 Ca -0.05 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.20 3k5n h GLU 479 Cb 0.46 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 3k5n h GLU 479 CO 0.09 0.32 0.33 0.00 -1.18 0.00 0.00 179.01 178.57 3k5n h ALA 480 N 1.23 0.97 -0.05 2.92 0.00 0.29 -1.75 119.26 122.87 3k5n h ALA 480 Ca 0.20 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k5n h ALA 480 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k5n h ALA 480 CO -0.12 -0.09 -0.03 -0.22 0.00 0.00 0.00 179.25 178.80 3k5n h LYS 481 N 0.56 -0.02 0.00 0.00 3.11 0.75 0.78 116.57 121.74 3k5n h LYS 481 Ca 0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 3k5n h LYS 481 Cb 0.41 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 3k5n h LYS 481 CO -0.29 -0.02 0.00 -2.13 -2.81 0.00 0.00 179.45 174.20 3k5n n ARG 482 N -5.14 0.39 0.00 1.90 0.63 -0.85 0.12 116.66 113.71 3k5n n ARG 482 Ca -0.06 0.03 0.11 0.00 -0.92 0.00 0.00 57.85 57.02 3k5n n ARG 482 Cb 0.07 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.54 3k5n n ARG 482 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3k5n n GLN 483 N -1.28 0.39 -1.68 -0.14 6.02 -0.72 -4.98 117.38 114.98 3k5n n GLN 483 Ca 0.13 -0.29 -0.46 0.00 -0.01 0.00 0.00 57.00 56.37 3k5n n GLN 483 Cb 0.21 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 3k5n n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k5n n GLY 484 N 1.46 1.45 3.86 1.08 0.00 0.32 -4.89 105.19 108.47 3k5n n GLY 484 Ca 0.07 0.76 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 3k5n n GLY 484 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k5n n ASN 485 N 5.54 -2.56 0.14 1.61 5.15 -1.26 -5.00 115.26 118.88 3k5n n ASN 485 Ca 0.20 -1.04 0.13 0.00 -0.60 0.00 0.00 54.58 53.27 3k5n n ASN 485 Cb 0.32 -3.07 0.50 0.00 -0.53 0.00 0.00 39.78 37.00 3k5n n ASN 485 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3k5n h LYS 486 N -1.93 0.00 -0.86 1.20 3.64 -1.89 -3.28 116.57 113.46 3k5n h LYS 486 Ca -0.65 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 58.86 3k5n h LYS 486 Cb 1.37 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 3k5n h LYS 486 CO 0.56 0.00 -0.39 -1.00 -2.27 0.00 0.00 179.45 176.35 3k5n h PRO 487 N 0.00 -0.06 0.01 1.90 0.13 -1.97 0.43 132.00 132.45 3k5n h PRO 487 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.91 3k5n h PRO 487 Cb 0.43 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3k5n h PRO 487 CO 0.00 -0.04 -0.96 1.37 -0.23 0.00 0.00 178.00 178.14 3k5n h LEU 488 N -0.06 0.52 -0.65 1.56 8.10 -1.90 -2.85 115.31 120.03 3k5n h LEU 488 Ca 0.30 -0.43 0.11 0.00 0.11 0.00 0.00 57.88 57.97 3k5n h LEU 488 Cb 0.57 -0.16 -0.08 0.00 -0.44 0.00 0.00 40.66 40.55 3k5n h LEU 488 CO -0.88 1.23 0.22 0.28 -4.11 0.00 0.00 178.44 175.18 3k5n h SER 489 N 0.22 0.18 -0.43 0.17 0.02 -0.40 3.64 113.55 116.96 3k5n h SER 489 Ca -0.08 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3k5n h SER 489 Cb 1.60 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 64.14 3k5n h SER 489 CO 0.17 0.09 -0.29 1.56 -1.14 0.00 0.00 176.83 177.22 3k5n h GLN 490 N 0.38 -0.20 -0.17 3.45 1.08 -0.86 1.95 115.11 120.75 3k5n h GLN 490 Ca 0.34 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.59 3k5n h GLN 490 Cb 0.47 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 3k5n h GLN 490 CO -0.36 -0.13 -0.09 0.00 -0.95 0.00 0.00 178.83 177.30 3k5n h ALA 491 N 0.92 0.05 -0.64 3.87 0.00 0.56 -1.67 119.26 122.35 3k5n h ALA 491 Ca 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3k5n h ALA 491 Cb 0.51 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3k5n h ALA 491 CO -0.54 -0.53 0.22 -0.07 0.00 0.00 0.00 179.25 178.34 3k5n h LEU 492 N -0.08 0.91 -0.20 0.00 3.38 0.67 -2.92 115.31 117.08 3k5n h LEU 492 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3k5n h LEU 492 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3k5n h LEU 492 CO -0.22 0.86 0.09 0.07 0.09 0.00 0.00 178.44 179.33 3k5n h LYS 493 N 0.91 0.29 -0.65 1.13 2.10 0.35 -2.86 116.57 117.85 3k5n h LYS 493 Ca 0.21 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.77 3k5n h LYS 493 Cb 0.25 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 3k5n h LYS 493 CO -0.01 0.33 0.25 -0.84 -2.00 0.00 0.00 179.45 177.18 3k5n h ILE 494 N 0.18 1.23 -0.35 0.07 3.07 -1.27 -3.04 117.51 117.40 3k5n h ILE 494 Ca 0.07 -0.73 -0.06 0.00 1.55 0.00 0.00 64.86 65.69 3k5n h ILE 494 Cb 0.15 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.15 3k5n h ILE 494 CO -0.01 0.29 -0.03 0.16 -1.05 0.00 0.00 178.15 177.52 3k5n h ILE 495 N 0.93 1.27 -0.58 0.16 -0.00 -1.36 -2.96 117.51 114.97 3k5n h ILE 495 Ca 0.22 -1.03 0.10 0.00 -0.00 0.00 0.00 64.86 64.14 3k5n h ILE 495 Cb 0.19 1.25 -0.07 0.00 -0.00 0.00 0.00 36.82 38.19 3k5n h ILE 495 CO -0.02 0.34 0.18 -0.03 -0.00 0.00 0.00 178.15 178.62 3k5n h MET 496 N 0.43 0.33 0.00 0.16 4.05 -1.39 1.10 114.93 119.62 3k5n h MET 496 Ca 0.09 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3k5n h MET 496 Cb 0.50 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3k5n h MET 496 CO 0.02 0.22 0.00 0.09 0.23 0.00 0.00 176.91 177.47 3k5n n ASN 497 N -5.04 0.39 -0.26 1.39 3.02 -1.22 -2.64 115.26 110.90 3k5n n ASN 497 Ca 0.08 0.59 -0.06 0.00 -0.03 0.00 0.00 54.58 55.15 3k5n n ASN 497 Cb 0.28 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 38.82 3k5n n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k5n h ALA 498 N 2.40 0.92 -0.37 5.41 0.00 0.15 -3.35 119.26 124.42 3k5n h ALA 498 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3k5n h ALA 498 Cb 0.35 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3k5n h ALA 498 CO 0.00 0.53 0.01 0.74 0.00 0.00 0.00 179.25 180.53 3k5n h PHE 499 N 1.01 -0.01 -0.42 0.00 0.04 -1.45 -2.89 116.94 113.23 3k5n h PHE 499 Ca 0.24 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.08 3k5n h PHE 499 Cb 0.19 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3k5n h PHE 499 CO 0.01 -0.06 0.19 -0.92 -0.60 0.00 0.00 178.31 176.93 3k5n h TYR 500 N 0.11 0.34 -0.75 -0.55 -0.00 -1.80 -0.58 116.97 113.74 3k5n h TYR 500 Ca 0.18 0.02 0.07 0.00 -0.00 0.00 0.00 58.73 58.99 3k5n h TYR 500 Cb 0.25 -0.09 -0.06 0.00 -0.00 0.00 0.00 36.73 36.83 3k5n h TYR 500 CO -0.25 0.16 0.44 0.78 -0.00 0.00 0.00 178.16 179.29 3k5n h GLY 501 N 0.38 1.13 0.06 1.82 0.00 -1.71 -1.89 103.07 102.87 3k5n h GLY 501 Ca 0.19 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.28 3k5n h GLY 501 CO -0.16 0.19 -0.21 -2.08 0.00 0.00 0.00 176.54 174.28 3k5n h VAL 502 N 0.80 0.41 0.00 4.60 2.07 -0.95 0.41 116.25 123.58 3k5n h VAL 502 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3k5n h VAL 502 Cb 0.21 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3k5n h VAL 502 CO -0.19 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.58 3k5n n LEU 503 N -5.37 0.31 0.13 2.57 4.77 -0.55 -2.35 117.00 116.50 3k5n n LEU 503 Ca 0.01 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 3k5n n LEU 503 Cb 0.29 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3k5n n LEU 503 CO 0.12 -0.63 0.43 1.23 -1.33 0.00 0.00 177.39 177.21 3k5n h GLY 504 N 0.78 0.00 -1.43 -0.72 0.00 0.22 -3.41 103.07 98.52 3k5n h GLY 504 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3k5n h GLY 504 CO 0.00 0.00 0.20 -0.51 0.00 0.00 0.00 176.54 176.23 3k5n s THR 505 N -3.04 3.26 -1.61 4.70 -4.23 -0.99 -4.96 115.64 108.76 3k5n s THR 505 Ca 0.02 -0.06 0.24 0.00 -1.18 0.00 0.00 61.69 60.72 3k5n s THR 505 Cb 0.09 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.66 3k5n s THR 505 CO 0.75 -0.34 1.28 0.35 -0.54 0.00 0.00 174.62 176.12 3k5n n THR 506 N -2.69 0.00 1.83 3.99 -2.24 -1.26 -3.64 114.28 110.27 3k5n n THR 506 Ca 0.06 -0.13 0.16 0.00 -2.27 0.00 0.00 64.05 61.86 3k5n n THR 506 Cb 0.58 0.76 0.87 0.00 -2.10 0.00 0.00 70.33 70.44 3k5n n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5n n ALA 507 N -0.71 2.65 -4.00 6.98 0.00 -1.26 -4.61 120.51 119.56 3k5n n ALA 507 Ca 0.09 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3k5n n ALA 507 Cb 0.38 -1.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.19 3k5n n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5n n ARG 509 N 4.78 -3.42 -0.99 0.00 1.85 -1.26 -1.72 116.66 115.89 3k5n n ARG 509 Ca -0.16 -0.99 0.00 0.00 -1.00 0.00 0.00 57.85 55.70 3k5n n ARG 509 Cb 0.49 -2.05 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 3k5n n ARG 509 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3k5n n PHE 510 N -5.32 0.00 -2.94 2.89 3.72 -1.26 -4.96 117.46 109.59 3k5n n PHE 510 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 3k5n n PHE 510 Cb 0.56 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 3k5n n PHE 510 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3k5n s PHE 511 N -3.49 3.65 -0.15 1.38 5.36 -0.70 -4.94 117.98 119.09 3k5n s PHE 511 Ca 0.00 1.44 -0.10 0.00 -0.96 0.00 0.00 56.93 57.30 3k5n s PHE 511 Cb 0.00 -2.89 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 3k5n s PHE 511 CO 0.00 0.12 0.38 0.34 -1.46 0.00 0.00 175.22 174.60 3k5n s ASP 512 N 0.57 -0.44 0.33 6.13 2.15 -1.26 -4.74 116.67 119.41 3k5n s ASP 512 Ca 0.41 0.80 0.02 0.00 0.43 0.00 0.00 52.55 54.21 3k5n s ASP 512 Cb -0.19 0.73 0.60 0.00 -0.30 0.00 0.00 42.92 43.76 3k5n s ASP 512 CO 0.22 -0.16 1.95 -0.65 -0.17 0.00 0.00 175.17 176.35 3k5n h PRO 513 N 6.45 0.90 0.00 4.34 0.11 -1.91 0.83 132.00 142.72 3k5n h PRO 513 Ca -0.33 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3k5n h PRO 513 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3k5n h PRO 513 CO 0.29 0.60 -0.22 0.00 -0.21 0.00 0.00 178.00 178.46 3k5n h ARG 514 N 0.93 0.00 -0.08 1.05 3.08 -1.96 -1.94 114.38 115.46 3k5n h ARG 514 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3k5n h ARG 514 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3k5n h ARG 514 CO -0.11 0.22 -0.03 1.25 -1.07 0.00 0.00 179.97 180.23 3k5n h LEU 515 N 0.00 0.16 -0.14 3.04 5.85 -1.20 -2.09 115.31 120.93 3k5n h LEU 515 Ca -0.00 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 3k5n h LEU 515 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3k5n h LEU 515 CO 0.03 0.51 -0.20 0.00 -0.34 0.00 0.00 178.44 178.45 3k5n h ALA 516 N 0.65 0.21 -0.25 1.25 0.00 -1.43 -3.22 119.26 116.47 3k5n h ALA 516 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3k5n h ALA 516 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3k5n h ALA 516 CO 0.01 0.14 0.12 0.77 0.00 0.00 0.00 179.25 180.29 3k5n h SER 517 N -0.02 0.32 -0.92 0.00 0.02 -1.42 -0.82 113.55 110.70 3k5n h SER 517 Ca 0.01 -0.12 0.17 0.00 -0.84 0.00 0.00 61.79 61.01 3k5n h SER 517 Cb 0.76 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.14 3k5n h SER 517 CO 0.05 0.35 0.59 0.28 -1.14 0.00 0.00 176.83 176.96 3k5n h SER 518 N 0.27 0.63 -0.40 3.07 0.02 -1.48 0.43 113.55 116.09 3k5n h SER 518 Ca 0.09 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3k5n h SER 518 Cb 0.11 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3k5n h SER 518 CO -0.01 0.28 0.25 0.40 -1.14 0.00 0.00 176.83 176.61 3k5n h ILE 519 N 0.64 1.12 0.02 3.27 2.04 -1.18 -3.25 117.51 120.18 3k5n h ILE 519 Ca 0.48 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.90 3k5n h ILE 519 Cb 0.87 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3k5n h ILE 519 CO -0.24 0.12 -0.91 0.71 0.00 0.00 0.00 178.15 177.83 3k5n h THR 520 N 0.53 1.20 -0.23 -0.27 1.35 0.52 -3.24 112.91 112.77 3k5n h THR 520 Ca 0.14 -2.27 0.07 0.00 -0.55 0.00 0.00 66.41 63.80 3k5n h THR 520 Cb -0.01 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 3k5n h THR 520 CO -0.03 0.48 0.44 0.24 -0.25 0.00 0.00 175.52 176.41 3k5n h MET 521 N -0.86 0.00 0.00 4.72 2.86 -0.96 3.83 114.93 124.52 3k5n h MET 521 Ca -0.24 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.23 3k5n h MET 521 Cb 1.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 3k5n h MET 521 CO -0.09 0.00 -0.85 -0.09 1.06 0.00 0.00 176.91 176.93 3k5n h ARG 522 N 0.00 0.00 0.15 1.72 2.43 -1.68 -0.78 114.38 116.21 3k5n h ARG 522 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3k5n h ARG 522 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3k5n h ARG 522 CO -0.00 0.85 -0.07 0.78 -1.51 0.00 0.00 179.97 180.02 3k5n h GLY 523 N 2.72 -0.21 0.31 2.80 0.00 0.72 0.23 103.07 109.65 3k5n h GLY 523 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.46 3k5n h GLY 523 CO 0.11 -0.08 -0.15 0.45 0.00 0.00 0.00 176.54 176.87 3k5n h HIS 524 N -0.33 -0.38 -0.65 5.60 3.86 -0.92 0.14 115.15 122.48 3k5n h HIS 524 Ca -0.02 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.36 3k5n h HIS 524 Cb 0.26 0.20 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 3k5n h HIS 524 CO -0.03 -0.22 0.06 0.37 0.86 0.00 0.00 177.93 178.97 3k5n h GLN 525 N -0.13 0.16 -0.08 2.45 4.15 -0.71 0.29 115.11 121.24 3k5n h GLN 525 Ca 0.14 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3k5n h GLN 525 Cb 0.34 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3k5n h GLN 525 CO -0.33 0.11 -0.27 0.82 -1.93 0.00 0.00 178.83 177.23 3k5n h ILE 526 N 0.17 1.23 0.15 2.39 2.04 0.70 -2.36 117.51 121.83 3k5n h ILE 526 Ca 0.35 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3k5n h ILE 526 Cb 0.57 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3k5n h ILE 526 CO -0.52 0.32 -0.07 -0.03 0.00 0.00 0.00 178.15 177.85 3k5n h MET 527 N 0.13 -0.20 -0.20 2.37 4.05 0.22 0.13 114.93 121.43 3k5n h MET 527 Ca 0.02 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 3k5n h MET 527 Cb 0.56 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.36 3k5n h MET 527 CO 0.04 0.02 -0.05 0.00 0.23 0.00 0.00 176.91 177.15 3k5n h ARG 528 N -0.40 0.00 -0.61 0.39 -0.00 -1.01 -1.33 114.38 111.43 3k5n h ARG 528 Ca -0.02 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.39 3k5n h ARG 528 Cb 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.26 3k5n h ARG 528 CO 0.03 0.00 0.12 0.37 0.00 0.00 0.00 179.97 180.49 3k5n h GLN 529 N 0.00 0.97 -0.86 0.04 5.75 -1.39 0.88 115.11 120.50 3k5n h GLN 529 Ca 0.10 -0.23 0.07 0.00 -0.15 0.00 0.00 58.65 58.44 3k5n h GLN 529 Cb 0.15 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 3k5n h GLN 529 CO -0.21 0.88 0.56 1.15 -2.65 0.00 0.00 178.83 178.57 3k5n h THR 530 N 0.92 1.03 -0.14 2.39 2.02 0.09 0.11 112.91 119.33 3k5n h THR 530 Ca 0.19 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3k5n h THR 530 Cb 0.37 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3k5n h THR 530 CO 0.01 0.17 -0.03 0.07 0.37 0.00 0.00 175.52 176.10 3k5n h LYS 531 N 0.92 0.26 -0.13 6.66 2.10 -0.02 -0.83 116.57 125.54 3k5n h LYS 531 Ca 0.38 -0.10 0.02 0.00 -2.00 0.00 0.00 60.65 58.95 3k5n h LYS 531 Cb 0.28 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 3k5n h LYS 531 CO -0.15 0.54 0.03 0.00 -2.00 0.00 0.00 179.45 177.88 3k5n h ALA 532 N 0.71 0.13 -0.30 0.07 0.00 -0.21 -1.85 119.26 117.81 3k5n h ALA 532 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3k5n h ALA 532 Cb 0.45 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3k5n h ALA 532 CO 0.01 -0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 178.70 3k5n h LEU 533 N 0.08 -0.27 -0.59 0.00 3.38 -0.92 -0.32 115.31 116.68 3k5n h LEU 533 Ca 0.06 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3k5n h LEU 533 Cb 0.05 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3k5n h LEU 533 CO -0.07 -0.09 0.23 0.40 0.09 0.00 0.00 178.44 178.99 3k5n h ILE 534 N 0.00 0.80 -0.66 1.22 1.08 -0.47 0.78 117.51 120.27 3k5n h ILE 534 Ca 0.14 -0.14 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 3k5n h ILE 534 Cb 0.22 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 3k5n h ILE 534 CO -0.30 0.08 0.08 -0.33 -0.69 0.00 0.00 178.15 176.98 3k5n h GLU 535 N 0.42 1.12 0.00 2.37 5.08 -1.09 -2.83 114.58 119.64 3k5n h GLU 535 Ca 0.29 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k5n h GLU 535 Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3k5n h GLU 535 CO -0.28 1.04 0.33 0.00 -1.00 0.00 0.00 179.01 179.09 3k5n h ALA 536 N 1.03 1.28 -0.57 3.43 0.00 0.96 2.07 119.26 127.46 3k5n h ALA 536 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k5n h ALA 536 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k5n h ALA 536 CO 0.02 -0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.03 3k5n n GLN 537 N -2.50 4.71 -0.12 0.00 6.02 -1.07 -4.93 117.38 119.50 3k5n n GLN 537 Ca -0.01 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 3k5n n GLN 537 Cb 0.36 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.40 3k5n n GLN 537 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k5n n GLY 538 N 0.67 0.81 2.13 1.08 0.00 0.70 -5.10 105.19 105.49 3k5n n GLY 538 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 3k5n n GLY 538 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k5n n TYR 539 N -2.08 -0.76 -4.27 1.61 4.01 -1.14 -5.03 117.16 109.50 3k5n n TYR 539 Ca 0.00 -1.33 -0.21 0.00 -0.16 0.00 0.00 57.90 56.20 3k5n n TYR 539 Cb 0.00 -0.24 -0.12 0.00 -0.31 0.00 0.00 39.34 38.67 3k5n n TYR 539 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k5n s ASP 540 N -2.79 2.33 -0.30 7.72 1.01 -0.92 -4.39 116.67 119.34 3k5n s ASP 540 Ca 0.15 -0.74 0.01 0.00 0.71 0.00 0.00 52.55 52.69 3k5n s ASP 540 Cb -0.01 -0.12 0.09 0.00 1.01 0.00 0.00 42.92 43.89 3k5n s ASP 540 CO 0.10 -0.02 0.03 -0.69 0.21 0.00 0.00 175.17 174.79 3k5n s VAL 541 N -1.56 1.59 0.12 -1.27 1.01 -1.26 -1.12 120.40 117.91 3k5n s VAL 541 Ca 0.08 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.30 3k5n s VAL 541 Cb -0.08 -2.07 -0.17 0.00 0.00 0.00 0.00 36.38 34.06 3k5n s VAL 541 CO 0.04 -0.45 1.31 0.40 0.00 0.00 0.00 175.10 176.40 3k5n h ILE 542 N 6.59 1.33 -2.52 2.22 2.04 -1.31 -3.47 117.51 122.40 3k5n h ILE 542 Ca -0.12 -2.17 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 3k5n h ILE 542 Cb 1.04 2.18 -0.22 0.00 -0.74 0.00 0.00 36.82 39.08 3k5n h ILE 542 CO 0.47 0.67 -0.09 -0.47 0.00 0.00 0.00 178.15 178.72 3k5n s TYR 543 N -3.53 -0.50 -0.03 1.37 5.04 -1.22 -2.04 117.35 116.44 3k5n s TYR 543 Ca -0.08 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 3k5n s TYR 543 Cb 0.09 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.64 3k5n s TYR 543 CO 0.89 -0.36 0.00 0.20 -1.34 0.00 0.00 175.55 174.94 3k5n s GLY 544 N -0.33 0.25 0.00 8.97 0.00 -1.26 0.46 107.32 115.41 3k5n s GLY 544 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3k5n s GLY 544 CO 0.03 0.68 0.00 1.34 0.00 0.00 0.00 173.10 175.15 3k5n n ASP 545 N 4.27 0.00 -0.15 1.64 2.03 1.31 -4.89 116.55 120.77 3k5n n ASP 545 Ca -0.24 -0.13 0.11 0.00 0.52 0.00 0.00 54.79 55.05 3k5n n ASP 545 Cb 0.50 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.34 3k5n n ASP 545 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3k5n h THR 546 N -0.03 0.91 0.00 5.18 1.35 -2.01 -3.21 112.91 115.10 3k5n h THR 546 Ca 0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 3k5n h THR 546 Cb 0.00 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 66.71 3k5n h THR 546 CO 0.00 0.10 -0.43 -0.90 -0.25 0.00 0.00 175.52 174.04 3k5n n ASP 547 N -4.49 0.05 -4.10 5.36 5.68 -1.26 -4.88 116.55 112.92 3k5n n ASP 547 Ca 0.12 -1.79 -0.14 0.00 -0.50 0.00 0.00 54.79 52.47 3k5n n ASP 547 Cb 0.36 -0.16 -0.11 0.00 -1.14 0.00 0.00 41.12 40.07 3k5n n ASP 547 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3k5n s SER 548 N -0.86 1.08 0.01 -1.12 0.15 -1.21 -3.17 113.70 108.57 3k5n s SER 548 Ca 0.02 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.09 3k5n s SER 548 Cb 0.03 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3k5n s SER 548 CO -0.01 -0.19 -0.05 0.42 1.20 0.00 0.00 173.24 174.60 3k5n s THR 549 N -1.51 0.40 -0.24 6.45 -4.23 -1.24 0.40 115.64 115.68 3k5n s THR 549 Ca -0.07 -0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 3k5n s THR 549 Cb -0.09 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 3k5n s THR 549 CO 0.01 -0.07 0.05 -0.36 -0.54 0.00 0.00 174.62 173.70 3k5n s PHE 550 N -0.55 3.07 -0.17 3.99 0.08 1.62 -3.85 117.98 122.16 3k5n s PHE 550 Ca -0.03 -0.47 -0.03 0.00 0.12 0.00 0.00 56.93 56.53 3k5n s PHE 550 Cb -0.05 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3k5n s PHE 550 CO -0.00 -0.35 -0.06 0.54 -0.10 0.00 0.00 175.22 175.26 3k5n s VAL 551 N 1.48 3.53 -0.07 -0.44 0.11 -0.69 -0.78 120.40 123.54 3k5n s VAL 551 Ca 0.06 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3k5n s VAL 551 Cb -0.15 -2.56 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 3k5n s VAL 551 CO 0.03 0.47 -0.20 0.86 -3.33 0.00 0.00 175.10 172.93 3k5n s TRP 552 N 0.79 2.58 -0.48 1.54 -0.00 -0.28 0.12 118.94 123.21 3k5n s TRP 552 Ca -0.02 -0.52 0.08 0.00 -0.00 0.00 0.00 56.10 55.64 3k5n s TRP 552 Cb -0.15 -1.65 0.30 0.00 -0.00 0.00 0.00 33.47 31.98 3k5n s TRP 552 CO 0.02 -0.08 0.73 1.47 -0.00 0.00 0.00 176.95 179.09 3k5n n LEU 553 N 2.83 2.17 0.00 5.86 -0.00 -1.22 -2.17 117.00 124.46 3k5n n LEU 553 Ca -0.17 -5.18 0.00 0.00 -0.00 0.00 0.00 56.01 50.65 3k5n n LEU 553 Cb 0.52 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3k5n n LEU 553 CO 0.26 2.20 0.00 0.29 -0.00 0.00 0.00 177.39 180.14 3k5n n LYS 554 N 0.57 0.00 0.00 1.47 4.76 -1.26 -4.59 118.16 119.10 3k5n n LYS 554 Ca 0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3k5n n LYS 554 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3k5n n LYS 554 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k5n n GLY 555 N 0.00 0.22 0.57 0.72 0.00 -1.26 -2.91 105.19 102.54 3k5n n GLY 555 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3k5n n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5n n ALA 556 N -0.01 2.39 -1.19 4.61 0.00 -1.26 -4.44 120.51 120.62 3k5n n ALA 556 Ca 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 53.44 51.29 3k5n n ALA 556 Cb 0.19 -0.49 0.08 0.00 0.00 0.00 0.00 19.45 19.23 3k5n n ALA 556 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k5n n HIS 557 N -0.50 -3.70 -3.72 0.00 8.25 -1.26 -5.05 115.22 109.24 3k5n n HIS 557 Ca 0.09 -0.37 -0.08 0.00 -0.26 0.00 0.00 57.72 57.10 3k5n n HIS 557 Cb 0.76 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 3k5n n HIS 557 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3k5n n SER 558 N -3.44 -0.99 -0.16 0.41 3.41 -1.26 -4.87 113.62 106.71 3k5n n SER 558 Ca 0.05 -2.06 -0.07 0.00 -0.26 0.00 0.00 58.87 56.53 3k5n n SER 558 Cb 0.20 1.76 0.02 0.00 -0.26 0.00 0.00 64.21 65.93 3k5n n SER 558 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3k5n h GLU 559 N 0.00 0.64 0.05 4.33 4.57 -1.97 1.19 114.58 123.39 3k5n h GLU 559 Ca -0.17 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3k5n h GLU 559 Cb 0.71 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3k5n h GLU 559 CO 0.23 0.43 -0.09 0.93 -1.18 0.00 0.00 179.01 179.33 3k5n h GLU 560 N 0.66 -0.18 0.00 1.92 5.08 -1.98 -1.33 114.58 118.74 3k5n h GLU 560 Ca 0.18 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3k5n h GLU 560 Cb -0.07 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.24 3k5n h GLU 560 CO -0.04 -0.12 -0.74 0.93 -1.00 0.00 0.00 179.01 178.04 3k5n h GLU 561 N -0.18 0.50 -0.28 2.33 3.07 -1.83 -0.49 114.58 117.69 3k5n h GLU 561 Ca 0.02 -0.54 -0.08 0.00 -0.50 0.00 0.00 59.36 58.26 3k5n h GLU 561 Cb 0.20 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3k5n h GLU 561 CO -0.06 1.18 -0.14 0.00 -1.40 0.00 0.00 179.01 178.59 3k5n h ALA 562 N 0.34 0.40 0.08 3.43 0.00 0.14 0.81 119.26 124.46 3k5n h ALA 562 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3k5n h ALA 562 Cb 1.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3k5n h ALA 562 CO 0.15 0.28 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 3k5n h ALA 563 N 0.74 -0.24 0.32 0.00 0.00 -1.31 1.22 119.26 119.98 3k5n h ALA 563 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k5n h ALA 563 Cb 0.66 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k5n h ALA 563 CO 0.04 -0.67 -0.15 0.87 0.00 0.00 0.00 179.25 179.34 3k5n h LYS 564 N -0.29 -0.41 -0.67 0.00 1.57 -0.93 0.77 116.57 116.60 3k5n h LYS 564 Ca 0.03 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3k5n h LYS 564 Cb 0.32 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3k5n h LYS 564 CO -0.09 -0.25 0.45 0.82 -0.57 0.00 0.00 179.45 179.81 3k5n h ILE 565 N -0.47 1.17 0.22 1.86 2.04 0.86 -2.69 117.51 120.50 3k5n h ILE 565 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3k5n h ILE 565 Cb 0.35 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3k5n h ILE 565 CO 0.07 0.17 -0.10 1.23 0.00 0.00 0.00 178.15 179.51 3k5n h GLY 566 N 0.91 -0.30 0.67 5.37 0.00 0.21 -2.85 103.07 107.08 3k5n h GLY 566 Ca 0.25 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.76 3k5n h GLY 566 CO -0.05 -0.11 0.56 3.21 0.00 0.00 0.00 176.54 180.15 3k5n h ARG 567 N -0.57 0.97 -0.81 4.80 3.08 -0.76 -1.82 114.38 119.26 3k5n h ARG 567 Ca -0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3k5n h ARG 567 Cb 0.42 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3k5n h ARG 567 CO 0.05 0.64 0.45 0.00 -1.07 0.00 0.00 179.97 180.04 3k5n h ALA 568 N 1.44 1.04 -0.48 0.04 0.00 -1.50 -2.73 119.26 117.07 3k5n h ALA 568 Ca 0.41 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3k5n h ALA 568 Cb 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3k5n h ALA 568 CO -0.19 0.55 0.24 -0.07 0.00 0.00 0.00 179.25 179.77 3k5n h LEU 569 N 1.13 0.34 -0.28 0.00 3.38 -1.08 -2.36 115.31 116.43 3k5n h LEU 569 Ca 0.29 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.35 3k5n h LEU 569 Cb 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3k5n h LEU 569 CO -0.05 0.24 -0.14 -0.37 0.09 0.00 0.00 178.44 178.21 3k5n h VAL 570 N 0.47 0.57 -0.39 1.22 -1.51 -1.32 0.11 116.25 115.39 3k5n h VAL 570 Ca 0.21 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.63 3k5n h VAL 570 Cb 0.13 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 3k5n h VAL 570 CO -0.15 0.00 0.03 0.06 -1.23 0.00 0.00 177.57 176.28 3k5n h GLN 571 N -0.10 0.67 -0.39 5.19 3.07 -1.43 1.79 115.11 123.91 3k5n h GLN 571 Ca 0.15 -0.20 0.08 0.00 0.09 0.00 0.00 58.65 58.77 3k5n h GLN 571 Cb 0.32 -0.07 -0.08 0.00 0.08 0.00 0.00 27.48 27.74 3k5n h GLN 571 CO -0.35 0.75 -0.14 1.25 0.09 0.00 0.00 178.83 180.43 3k5n h HIS 572 N 0.51 -0.33 -0.62 0.06 2.76 -1.06 2.53 115.15 119.00 3k5n h HIS 572 Ca 0.12 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 3k5n h HIS 572 Cb 0.42 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 3k5n h HIS 572 CO 0.03 -0.22 0.38 0.28 -1.30 0.00 0.00 177.93 177.10 3k5n h VAL 573 N -0.06 1.07 0.85 5.26 2.07 0.47 0.51 116.25 126.43 3k5n h VAL 573 Ca 0.19 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3k5n h VAL 573 Cb 0.35 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3k5n h VAL 573 CO -0.44 0.14 -0.41 0.78 0.02 0.00 0.00 177.57 177.66 3k5n h ASN 574 N 0.74 -0.97 -0.91 0.57 4.21 0.70 -2.46 115.58 117.47 3k5n h ASN 574 Ca 0.25 0.03 0.05 0.00 1.21 0.00 0.00 56.30 57.83 3k5n h ASN 574 Cb 0.03 0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 37.42 3k5n h ASN 574 CO -0.11 -0.63 0.60 0.00 -1.29 0.00 0.00 177.43 176.00 3k5n h ALA 575 N -1.21 1.45 -0.34 -0.83 0.00 0.42 -1.43 119.26 117.32 3k5n h ALA 575 Ca -0.12 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3k5n h ALA 575 Cb 0.88 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3k5n h ALA 575 CO 0.19 0.44 -0.07 2.35 0.00 0.00 0.00 179.25 182.16 3k5n h TRP 576 N 1.11 -0.16 -0.03 0.00 7.01 0.12 0.18 115.95 124.16 3k5n h TRP 576 Ca 0.37 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.42 3k5n h TRP 576 Cb 0.08 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 3k5n h TRP 576 CO -0.00 -0.14 -0.06 -1.49 -2.79 0.00 0.00 178.44 173.97 3k5n h TRP 577 N 0.01 -0.13 -0.34 2.65 -0.00 -0.80 0.21 115.95 117.54 3k5n h TRP 577 Ca 0.17 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.08 3k5n h TRP 577 Cb 0.25 0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.45 3k5n h TRP 577 CO -0.31 -0.09 0.19 0.00 -0.00 0.00 0.00 178.44 178.23 3k5n h ALA 578 N 0.94 0.43 -0.19 1.49 0.00 -0.56 0.16 119.26 121.53 3k5n h ALA 578 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3k5n h ALA 578 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k5n h ALA 578 CO -0.08 -0.18 -0.12 0.93 0.00 0.00 0.00 179.25 179.80 3k5n h GLU 579 N 0.38 0.41 0.00 0.00 5.08 -0.60 -1.08 114.58 118.79 3k5n h GLU 579 Ca 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3k5n h GLU 579 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3k5n h GLU 579 CO -0.08 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 3k5n h THR 580 N 0.09 0.00 -0.00 1.13 1.03 -0.23 -2.50 112.91 112.43 3k5n h THR 580 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 3k5n h THR 580 Cb 0.62 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 3k5n h THR 580 CO 0.03 0.00 -0.67 0.18 -0.01 0.00 0.00 175.52 175.06 3k5n n LEU 581 N -3.07 0.86 -0.18 0.00 4.77 0.53 -4.27 117.00 115.64 3k5n n LEU 581 Ca -0.02 -0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 55.39 3k5n n LEU 581 Cb 0.13 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.40 3k5n n LEU 581 CO 0.22 0.20 1.06 1.56 -1.33 0.00 0.00 177.39 179.10 3k5n h GLN 582 N 0.28 0.94 -0.73 3.23 4.20 -0.72 -2.39 115.11 119.92 3k5n h GLN 582 Ca 0.00 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.60 3k5n h GLN 582 Cb 0.39 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3k5n h GLN 582 CO 0.00 0.77 0.48 0.87 -0.67 0.00 0.00 178.83 180.28 3k5n h LYS 583 N 0.93 0.83 0.00 1.46 1.57 -1.74 0.37 116.57 119.99 3k5n h LYS 583 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3k5n h LYS 583 Cb 0.17 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3k5n h LYS 583 CO -0.02 0.55 0.00 1.04 -0.57 0.00 0.00 179.45 180.45 3k5n n GLN 584 N -4.46 0.85 -0.65 3.15 6.02 -0.91 -4.81 117.38 116.56 3k5n n GLN 584 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3k5n n GLN 584 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3k5n n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k5n n ARG 585 N -1.04 0.00 -3.65 -1.09 1.74 0.13 -5.01 116.66 107.74 3k5n n ARG 585 Ca 0.21 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.92 3k5n n ARG 585 Cb 0.12 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 29.82 3k5n n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k5n s LEU 586 N 0.00 4.12 0.50 0.55 1.02 -1.12 -5.01 118.68 118.73 3k5n s LEU 586 Ca 0.00 0.12 -0.22 0.00 0.02 0.00 0.00 54.13 54.05 3k5n s LEU 586 Cb 0.00 -2.12 -0.06 0.00 0.02 0.00 0.00 46.19 44.03 3k5n s LEU 586 CO 0.00 0.06 1.23 -0.89 0.02 0.00 0.00 176.35 176.78 3k5n s THR 587 N 1.06 2.72 -0.17 5.49 2.01 -1.26 -4.01 115.64 121.48 3k5n s THR 587 Ca 0.08 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 3k5n s THR 587 Cb -0.13 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3k5n s THR 587 CO 0.05 -0.01 0.28 -0.55 -0.69 0.00 0.00 174.62 173.69 3k5n s SER 588 N -1.24 6.40 0.06 3.53 0.15 -1.26 -4.74 113.70 116.60 3k5n s SER 588 Ca 0.67 0.47 -0.04 0.00 0.70 0.00 0.00 55.95 57.75 3k5n s SER 588 Cb -0.33 -2.17 -0.28 0.00 -1.71 0.00 0.00 66.02 61.53 3k5n s SER 588 CO 0.39 0.10 1.08 0.00 1.20 0.00 0.00 173.24 176.00 3k5n h ALA 589 N 6.74 0.14 -2.08 5.45 0.00 -1.89 -3.49 119.26 124.14 3k5n h ALA 589 Ca -0.41 -0.94 -0.61 0.00 0.00 0.00 0.00 54.91 52.95 3k5n h ALA 589 Cb 1.16 0.07 0.08 0.00 0.00 0.00 0.00 17.79 19.11 3k5n h ALA 589 CO 0.75 1.02 0.44 1.28 0.00 0.00 0.00 179.25 182.74 3k5n n LEU 590 N -3.51 2.39 -3.07 0.00 4.77 -1.26 -4.90 117.00 111.42 3k5n n LEU 590 Ca -0.10 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.84 3k5n n LEU 590 Cb 1.03 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3k5n n LEU 590 CO 0.53 -0.88 -0.14 1.21 -1.33 0.00 0.00 177.39 176.78 3k5n n GLU 591 N 1.76 0.64 -1.30 3.23 2.13 -1.26 -4.99 120.64 120.86 3k5n n GLU 591 Ca 0.13 -2.72 -0.33 0.00 0.66 0.00 0.00 57.16 54.89 3k5n n GLU 591 Cb 0.29 -1.37 0.10 0.00 0.27 0.00 0.00 31.44 30.73 3k5n n GLU 591 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3k5n s LEU 592 N -0.71 3.19 0.04 4.31 0.20 -1.26 -2.98 118.68 121.47 3k5n s LEU 592 Ca 0.34 2.20 -0.02 0.00 0.69 0.00 0.00 54.13 57.34 3k5n s LEU 592 Cb 0.15 -4.57 -0.03 0.00 -0.43 0.00 0.00 46.19 41.32 3k5n s LEU 592 CO -0.16 -2.33 -0.00 -1.61 -0.29 0.00 0.00 176.35 171.97 3k5n s GLU 593 N -4.22 0.52 -0.26 1.98 2.02 0.95 -4.89 118.70 114.80 3k5n s GLU 593 Ca 0.70 -0.94 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 3k5n s GLU 593 Cb -0.25 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 3k5n s GLU 593 CO 0.49 -0.10 0.54 -0.47 0.02 0.00 0.00 175.26 175.73 3k5n s TYR 594 N -2.91 3.28 -0.05 1.61 5.04 -1.26 0.71 117.35 123.76 3k5n s TYR 594 Ca -0.02 0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 55.25 3k5n s TYR 594 Cb 0.01 -2.74 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 3k5n s TYR 594 CO -0.06 -0.28 -0.08 0.39 -1.34 0.00 0.00 175.55 174.18 3k5n n GLU 595 N 5.52 0.15 -3.83 4.97 -0.58 0.11 -4.91 120.64 122.07 3k5n n GLU 595 Ca -0.03 0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.86 3k5n n GLU 595 Cb 0.50 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 30.34 3k5n n GLU 595 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3k5n s THR 596 N -1.47 0.06 -0.04 2.62 -4.23 -0.37 -4.99 115.64 107.22 3k5n s THR 596 Ca -0.06 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3k5n s THR 596 Cb 0.01 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.23 3k5n s THR 596 CO 0.09 -0.26 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.54 3k5n s HIS 597 N -3.91 1.01 -0.17 3.99 2.46 -1.26 -0.06 115.29 117.35 3k5n s HIS 597 Ca 0.12 -0.28 -0.03 0.00 0.47 0.00 0.00 55.06 55.34 3k5n s HIS 597 Cb 0.02 -0.75 -0.01 0.00 -0.13 0.00 0.00 32.58 31.70 3k5n s HIS 597 CO -0.03 -0.15 -0.07 -0.06 -2.47 0.00 0.00 174.74 171.96 3k5n s PHE 598 N 0.40 2.92 0.05 3.88 0.08 0.35 -4.59 117.98 121.07 3k5n s PHE 598 Ca -0.07 -0.70 -0.25 0.00 0.12 0.00 0.00 56.93 56.04 3k5n s PHE 598 Cb -0.11 -1.98 -0.17 0.00 -0.57 0.00 0.00 43.02 40.19 3k5n s PHE 598 CO 0.01 -0.32 1.56 0.00 -0.10 0.00 0.00 175.22 176.38 3k5n s ARG 600 N -5.58 2.13 -0.04 0.00 0.52 -1.26 -2.19 118.95 112.53 3k5n s ARG 600 Ca -0.14 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3k5n s ARG 600 Cb 0.04 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.82 3k5n s ARG 600 CO 0.64 0.14 0.01 0.12 0.02 0.00 0.00 175.30 176.24 3k5n s PHE 601 N 0.38 0.35 -0.07 -0.53 5.99 3.94 -0.99 117.98 127.05 3k5n s PHE 601 Ca -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 56.93 56.80 3k5n s PHE 601 Cb -0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 43.02 42.32 3k5n s PHE 601 CO 0.05 -0.19 0.02 -1.17 -0.00 0.00 0.00 175.22 173.93 3k5n s LEU 602 N 1.46 3.64 -0.06 6.12 2.96 -0.50 -0.01 118.68 132.29 3k5n s LEU 602 Ca -0.04 0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 3k5n s LEU 602 Cb -0.13 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.71 3k5n s LEU 602 CO -0.03 0.36 0.38 0.00 -1.32 0.00 0.00 176.35 175.74 3k5n s MET 603 N -1.02 0.64 0.00 1.98 0.23 -1.21 -1.09 119.30 118.83 3k5n s MET 603 Ca 0.15 0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.91 3k5n s MET 603 Cb -0.11 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 3k5n s MET 603 CO 0.04 -0.16 0.00 -0.35 -2.03 0.00 0.00 175.02 172.52 3k5n n PRO 604 N 1.76 3.02 -3.19 3.16 -0.04 -1.26 -3.13 135.00 135.32 3k5n n PRO 604 Ca -0.19 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.05 3k5n n PRO 604 Cb 0.56 -0.25 0.05 0.00 -0.04 0.00 0.00 33.50 33.82 3k5n n PRO 604 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3k5n n ARG 616 N 0.00 -5.80 -0.31 0.54 0.00 -1.26 -4.90 116.66 104.93 3k5n n ARG 616 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.69 3k5n n ARG 616 Cb 0.00 -5.68 0.00 0.00 0.00 0.00 0.00 32.46 26.78 3k5n n ARG 616 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 3k5n n TYR 617 N -4.63 -1.48 -3.49 -0.14 4.11 -1.26 -4.82 117.16 105.45 3k5n n TYR 617 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.70 3k5n n TYR 617 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.90 3k5n n TYR 617 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3k5n s ALA 618 N -2.61 -1.74 0.03 -3.48 0.00 -0.25 -1.22 121.76 112.49 3k5n s ALA 618 Ca 0.00 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 3k5n s ALA 618 Cb 0.00 0.28 0.09 0.00 0.00 0.00 0.00 23.12 23.49 3k5n s ALA 618 CO 0.00 -0.55 1.03 0.20 0.00 0.00 0.00 175.76 176.43 3k5n s GLY 619 N -1.94 -0.34 0.20 0.00 0.00 0.26 -1.42 107.32 104.09 3k5n s GLY 619 Ca -0.03 0.68 0.06 0.00 0.00 0.00 0.00 44.72 45.43 3k5n s GLY 619 CO -0.02 0.19 0.16 -2.27 0.00 0.00 0.00 173.10 171.16 3k5n s LEU 620 N -2.71 3.82 -0.12 0.66 2.96 -0.16 -1.11 118.68 122.02 3k5n s LEU 620 Ca 0.10 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3k5n s LEU 620 Cb -0.00 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 44.34 3k5n s LEU 620 CO -0.03 0.02 0.28 -0.51 -1.32 0.00 0.00 176.35 174.79 3k5n s ILE 621 N -1.91 -0.03 -0.34 6.68 2.07 -0.06 -3.04 121.20 124.56 3k5n s ILE 621 Ca 0.32 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 3k5n s ILE 621 Cb -0.09 -0.42 0.02 0.00 0.13 0.00 0.00 42.46 42.09 3k5n s ILE 621 CO 0.24 0.05 0.16 -1.58 -1.91 0.00 0.00 174.94 171.90 3k5n s GLN 622 N 1.19 3.00 0.55 3.50 0.74 -1.26 -0.01 119.66 127.37 3k5n s GLN 622 Ca -0.09 -0.94 -0.18 0.00 0.05 0.00 0.00 55.36 54.20 3k5n s GLN 622 Cb -0.09 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 3k5n s GLN 622 CO -0.09 -0.57 1.06 -1.21 -0.55 0.00 0.00 175.29 173.94 3k5n s GLU 623 N 1.55 3.49 0.29 1.67 0.41 0.10 -4.85 118.70 121.35 3k5n s GLU 623 Ca 0.02 1.34 0.02 0.00 -0.41 0.00 0.00 54.97 55.95 3k5n s GLU 623 Cb -0.18 -2.05 0.60 0.00 -1.78 0.00 0.00 34.13 30.72 3k5n s GLU 623 CO 0.05 -0.69 1.81 0.78 -0.49 0.00 0.00 175.26 176.73 3k5n h GLY 624 N 0.98 1.66 1.67 -1.39 0.00 -2.03 0.79 103.07 104.76 3k5n h GLY 624 Ca -0.48 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.39 3k5n h GLY 624 CO 0.58 0.07 -0.13 -0.55 0.00 0.00 0.00 176.54 176.50 3k5n h ASP 625 N 0.88 0.39 0.00 0.19 3.32 -2.02 -3.47 116.42 115.71 3k5n h ASP 625 Ca 0.52 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3k5n h ASP 625 Cb 0.63 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3k5n h ASP 625 CO -0.31 0.56 0.00 0.29 -1.72 0.00 0.00 179.24 178.05 3k5n n LYS 626 N -4.22 0.00 -4.36 3.56 5.02 0.27 -5.19 118.16 113.24 3k5n n LYS 626 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3k5n n LYS 626 Cb 0.31 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.22 3k5n n LYS 626 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3k5n s GLN 627 N 1.16 1.38 -0.00 1.97 -0.21 -1.26 0.03 119.66 122.73 3k5n s GLN 627 Ca 0.00 -1.62 -0.11 0.00 0.02 0.00 0.00 55.36 53.66 3k5n s GLN 627 Cb 0.00 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.82 3k5n s GLN 627 CO 0.00 0.20 0.22 0.50 -2.12 0.00 0.00 175.29 174.08 3k5n s ARG 628 N -3.63 0.58 -0.08 2.91 3.52 0.98 -4.89 118.95 118.35 3k5n s ARG 628 Ca 0.24 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3k5n s ARG 628 Cb -0.01 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3k5n s ARG 628 CO 0.08 -0.15 -0.10 -1.64 -0.81 0.00 0.00 175.30 172.68 3k5n s MET 629 N -1.47 2.81 -0.06 5.12 -1.94 -1.26 -0.88 119.30 121.61 3k5n s MET 629 Ca -0.13 -0.61 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 3k5n s MET 629 Cb -0.06 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 3k5n s MET 629 CO 0.02 0.57 -0.23 0.08 -0.01 0.00 0.00 175.02 175.45 3k5n s VAL 630 N -0.57 1.94 0.13 -6.03 1.01 -0.27 -4.99 120.40 111.63 3k5n s VAL 630 Ca 0.08 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3k5n s VAL 630 Cb -0.12 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3k5n s VAL 630 CO 0.02 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.10 3k5n s PHE 631 N -0.02 1.82 -0.01 5.22 0.08 -1.26 -0.57 117.98 123.24 3k5n s PHE 631 Ca -0.07 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 3k5n s PHE 631 Cb -0.14 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3k5n s PHE 631 CO 0.04 0.26 0.05 0.21 -0.10 0.00 0.00 175.22 175.69 3k5n s LYS 632 N -2.28 0.13 -1.56 0.44 2.47 -0.36 -4.90 119.74 113.69 3k5n s LYS 632 Ca 0.11 -0.05 -0.10 0.00 -1.56 0.00 0.00 55.97 54.36 3k5n s LYS 632 Cb -0.08 0.06 0.08 0.00 -1.46 0.00 0.00 37.83 36.43 3k5n s LYS 632 CO 0.05 -0.02 0.66 0.41 0.16 0.00 0.00 175.35 176.61 3k5n n GLY 633 N 2.72 -0.36 3.22 5.54 0.00 -1.26 -4.00 105.19 111.06 3k5n n GLY 633 Ca -0.15 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3k5n n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5n s LEU 634 N -7.14 2.49 0.41 0.99 1.43 -1.26 -4.92 118.68 110.68 3k5n s LEU 634 Ca 0.42 -0.96 0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3k5n s LEU 634 Cb -0.23 -0.31 1.06 0.00 0.03 0.00 0.00 46.19 46.75 3k5n s LEU 634 CO 0.90 -0.33 1.86 -0.33 0.23 0.00 0.00 176.35 178.68 3k5n h GLU 635 N 3.02 0.41 -0.60 1.70 3.07 -1.94 0.61 114.58 120.85 3k5n h GLU 635 Ca -0.37 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.43 3k5n h GLU 635 Cb 1.19 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 3k5n h GLU 635 CO 0.61 0.27 0.22 0.00 -1.40 0.00 0.00 179.01 178.71 3k5n h THR 636 N 0.43 1.22 -0.53 1.13 1.03 -1.88 -2.49 112.91 111.82 3k5n h THR 636 Ca 0.47 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3k5n h THR 636 Cb 1.13 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 3k5n h THR 636 CO -0.18 0.28 0.00 0.52 -0.01 0.00 0.00 175.52 176.13 3k5n n VAL 637 N -4.31 1.78 -2.05 0.00 0.31 0.19 -4.91 118.33 109.34 3k5n n VAL 637 Ca 0.05 -1.29 -0.28 0.00 -0.01 0.00 0.00 64.34 62.81 3k5n n VAL 637 Cb 0.18 0.12 0.14 0.00 -0.91 0.00 0.00 33.84 33.37 3k5n n VAL 637 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3k5n s ARG 638 N -1.88 1.32 0.00 5.55 6.06 0.30 -4.84 118.95 125.46 3k5n s ARG 638 Ca 0.45 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 3k5n s ARG 638 Cb 0.30 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 33.32 3k5n s ARG 638 CO 0.20 -1.92 0.00 -2.37 -2.50 0.00 0.00 175.30 168.71 3k5n n THR 639 N -3.41 0.00 1.32 4.11 5.66 -1.26 -4.64 114.28 116.06 3k5n n THR 639 Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.26 3k5n n THR 639 Cb 0.60 -0.49 0.58 0.00 -1.55 0.00 0.00 70.33 69.47 3k5n n THR 639 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3k5n n ASP 640 N -1.81 0.43 -3.41 1.09 5.75 -1.26 -4.78 116.55 112.55 3k5n n ASP 640 Ca 0.00 -0.43 -0.22 0.00 -0.01 0.00 0.00 54.79 54.13 3k5n n ASP 640 Cb 0.33 -0.09 0.15 0.00 -1.03 0.00 0.00 41.12 40.48 3k5n n ASP 640 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3k5n n TRP 641 N -1.06 -4.00 -4.36 2.11 7.02 -1.26 -4.67 117.44 111.23 3k5n n TRP 641 Ca 0.13 -0.87 -0.31 0.00 -1.02 0.00 0.00 57.50 55.42 3k5n n TRP 641 Cb 0.29 -0.76 -0.10 0.00 -2.42 0.00 0.00 31.31 28.32 3k5n n TRP 641 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3k5n s THR 642 N -3.16 3.66 0.58 -0.99 2.01 -1.26 -4.62 115.64 111.86 3k5n s THR 642 Ca 0.56 -0.90 0.28 0.00 0.31 0.00 0.00 61.69 61.93 3k5n s THR 642 Cb -0.01 -2.64 0.37 0.00 0.01 0.00 0.00 72.50 70.23 3k5n s THR 642 CO 0.39 0.29 2.01 -0.65 -0.69 0.00 0.00 174.62 175.98 3k5n h PRO 643 N 4.16 0.00 -0.45 4.92 0.11 -1.75 0.12 132.00 139.11 3k5n h PRO 643 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3k5n h PRO 643 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3k5n h PRO 643 CO 0.54 0.00 0.26 1.25 -0.21 0.00 0.00 178.00 179.84 3k5n h LEU 644 N 0.00 0.56 -0.11 2.35 6.46 -1.42 -0.34 115.31 122.80 3k5n h LEU 644 Ca 0.16 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 3k5n h LEU 644 Cb 0.82 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 3k5n h LEU 644 CO -0.00 0.47 -0.17 0.00 -0.62 0.00 0.00 178.44 178.12 3k5n h ALA 645 N 1.11 0.17 -0.48 1.25 0.00 -1.14 -0.30 119.26 119.87 3k5n h ALA 645 Ca 0.16 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3k5n h ALA 645 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3k5n h ALA 645 CO -0.03 0.08 0.24 1.96 0.00 0.00 0.00 179.25 181.50 3k5n h GLN 646 N -0.11 0.46 -0.26 0.00 1.08 -0.90 0.24 115.11 115.61 3k5n h GLN 646 Ca 0.01 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 3k5n h GLN 646 Cb 0.73 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3k5n h GLN 646 CO 0.04 0.30 -0.22 0.37 -0.95 0.00 0.00 178.83 178.37 3k5n h GLN 647 N 0.47 0.61 -0.47 1.46 4.15 -1.08 -2.01 115.11 118.24 3k5n h GLN 647 Ca 0.21 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 3k5n h GLN 647 Cb 0.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3k5n h GLN 647 CO -0.15 0.90 0.08 0.35 -1.93 0.00 0.00 178.83 178.08 3k5n h PHE 648 N 0.34 0.83 -0.28 3.99 3.57 -0.79 -1.93 116.94 122.68 3k5n h PHE 648 Ca 0.05 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3k5n h PHE 648 Cb 0.77 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3k5n h PHE 648 CO 0.07 0.77 0.09 0.37 -2.23 0.00 0.00 178.31 177.38 3k5n h GLN 649 N 0.65 0.43 0.24 1.11 4.15 -0.56 -0.68 115.11 120.46 3k5n h GLN 649 Ca 0.14 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3k5n h GLN 649 Cb 0.39 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3k5n h GLN 649 CO 0.01 0.48 -0.12 1.96 -1.93 0.00 0.00 178.83 179.23 3k5n h GLN 650 N 0.29 -0.32 -0.40 1.69 4.20 -1.23 -0.68 115.11 118.66 3k5n h GLN 650 Ca 0.09 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3k5n h GLN 650 Cb 0.23 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3k5n h GLN 650 CO -0.00 -0.22 -0.11 0.93 -0.67 0.00 0.00 178.83 178.76 3k5n h GLU 651 N -0.34 0.70 -0.31 1.46 5.08 -1.35 -2.51 114.58 117.32 3k5n h GLU 651 Ca -0.03 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3k5n h GLU 651 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3k5n h GLU 651 CO 0.05 0.79 -0.02 1.25 -1.00 0.00 0.00 179.01 180.08 3k5n h LEU 652 N 0.64 0.56 -0.04 1.33 6.46 -0.97 -1.82 115.31 121.47 3k5n h LEU 652 Ca 0.11 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3k5n h LEU 652 Cb 0.56 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3k5n h LEU 652 CO 0.03 0.75 0.02 1.88 -0.62 0.00 0.00 178.44 180.50 3k5n h TYR 653 N 0.36 0.06 -0.97 1.25 -1.99 -1.04 -2.21 116.97 112.42 3k5n h TYR 653 Ca 0.09 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.90 3k5n h TYR 653 Cb 0.47 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.11 3k5n h TYR 653 CO 0.04 0.14 0.62 1.25 -0.00 0.00 0.00 178.16 180.22 3k5n h LEU 654 N -0.04 0.95 -0.31 3.88 5.85 -1.39 0.50 115.31 124.74 3k5n h LEU 654 Ca 0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3k5n h LEU 654 Cb 0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3k5n h LEU 654 CO -0.00 0.57 0.12 0.03 -0.34 0.00 0.00 178.44 178.82 3k5n h ARG 655 N 1.05 0.47 -0.30 1.25 3.08 -1.12 -2.25 114.38 116.56 3k5n h ARG 655 Ca 0.44 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 60.25 3k5n h ARG 655 Cb 0.31 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3k5n h ARG 655 CO -0.19 0.48 -0.43 0.82 -1.07 0.00 0.00 179.97 179.57 3k5n h ILE 656 N 0.36 1.29 -0.53 2.04 2.04 -0.42 0.44 117.51 122.72 3k5n h ILE 656 Ca 0.10 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.37 3k5n h ILE 656 Cb 0.19 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3k5n h ILE 656 CO -0.01 0.52 0.35 -0.26 0.00 0.00 0.00 178.15 178.76 3k5n h PHE 657 N 0.58 0.60 -0.09 1.37 0.04 -0.02 1.12 116.94 120.54 3k5n h PHE 657 Ca 0.03 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3k5n h PHE 657 Cb 1.03 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.98 3k5n h PHE 657 CO 0.07 0.36 0.00 0.54 -0.60 0.00 0.00 178.31 178.68 3k5n n ARG 658 N -4.47 1.35 -3.67 1.51 1.74 -0.86 -4.87 116.66 107.40 3k5n n ARG 658 Ca 0.06 -0.52 -0.27 0.00 -0.77 0.00 0.00 57.85 56.34 3k5n n ARG 658 Cb 0.12 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 3k5n n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k5n n ASN 659 N -0.24 -5.08 -4.96 0.55 3.02 0.38 -4.96 115.26 103.97 3k5n n ASN 659 Ca 0.14 -0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 53.85 3k5n n ASN 659 Cb 0.18 -4.07 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 3k5n n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k5n s GLU 660 N -6.37 3.29 0.46 3.52 2.02 0.15 -5.00 118.70 116.76 3k5n s GLU 660 Ca 0.57 -0.63 -0.21 0.00 0.02 0.00 0.00 54.97 54.72 3k5n s GLU 660 Cb -0.28 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 3k5n s GLU 660 CO 0.70 0.09 1.05 -1.25 0.02 0.00 0.00 175.26 175.87 3k5n s PRO 661 N -4.26 3.91 0.00 0.39 0.04 -1.26 -4.35 135.00 129.46 3k5n s PRO 661 Ca 0.42 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3k5n s PRO 661 Cb -0.10 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3k5n s PRO 661 CO 0.34 -0.35 0.00 2.48 0.04 0.00 0.00 177.00 179.51 3k5n n TYR 662 N -0.68 0.00 -0.07 0.56 0.18 -1.26 -4.90 117.16 110.99 3k5n n TYR 662 Ca 0.08 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.78 3k5n n TYR 662 Cb 0.51 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.46 3k5n n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k5n h GLN 663 N 0.00 -0.21 0.00 -3.48 4.20 -2.01 -1.13 115.11 112.49 3k5n h GLN 663 Ca 0.00 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3k5n h GLN 663 Cb 0.00 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3k5n h GLN 663 CO 0.00 -0.14 -0.37 0.93 -0.67 0.00 0.00 178.83 178.58 3k5n h GLU 664 N -0.21 0.00 -0.65 1.46 4.39 -1.99 -2.87 114.58 114.71 3k5n h GLU 664 Ca 0.15 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3k5n h GLU 664 Cb 0.45 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3k5n h GLU 664 CO -0.41 0.37 0.34 -0.92 -1.16 0.00 0.00 179.01 177.24 3k5n h TYR 665 N 0.00 0.90 0.43 4.33 3.20 -1.60 2.20 116.97 126.43 3k5n h TYR 665 Ca -0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3k5n h TYR 665 Cb 0.82 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3k5n h TYR 665 CO 0.00 0.66 -0.42 0.28 -1.64 0.00 0.00 178.16 177.03 3k5n h VAL 666 N 0.89 0.00 -0.02 1.81 2.07 -1.03 -1.74 116.25 118.22 3k5n h VAL 666 Ca 0.23 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.67 3k5n h VAL 666 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 3k5n h VAL 666 CO -0.03 0.00 -0.35 0.08 0.02 0.00 0.00 177.57 177.28 3k5n h ARG 667 N -0.85 0.04 -0.40 1.57 -0.00 -1.46 -1.23 114.38 112.04 3k5n h ARG 667 Ca -0.05 -0.01 0.08 0.00 -0.00 0.00 0.00 59.98 60.00 3k5n h ARG 667 Cb 0.73 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.61 3k5n h ARG 667 CO -0.05 0.39 -0.23 1.49 -0.00 0.00 0.00 179.97 181.57 3k5n h GLU 668 N 0.03 -0.15 -0.42 0.08 4.81 0.39 0.80 114.58 120.12 3k5n h GLU 668 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3k5n h GLU 668 Cb 0.64 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3k5n h GLU 668 CO 0.05 -0.10 0.10 1.15 -0.73 0.00 0.00 179.01 179.48 3k5n h THR 669 N -0.16 1.23 -0.63 0.32 2.02 -0.38 -1.55 112.91 113.77 3k5n h THR 669 Ca 0.19 -0.79 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 3k5n h THR 669 Cb 0.46 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3k5n h THR 669 CO -0.50 0.28 0.03 0.40 0.37 0.00 0.00 175.52 176.10 3k5n h ILE 670 N 0.54 1.26 0.00 3.11 2.04 -0.45 0.54 117.51 124.55 3k5n h ILE 670 Ca 0.13 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3k5n h ILE 670 Cb 0.31 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3k5n h ILE 670 CO 0.00 0.41 -0.09 0.44 0.00 0.00 0.00 178.15 178.91 3k5n h ASP 671 N 0.99 0.00 0.10 1.72 3.45 -0.85 0.88 116.42 122.71 3k5n h ASP 671 Ca 0.18 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.64 3k5n h ASP 671 Cb 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 3k5n h ASP 671 CO 0.03 0.09 -0.05 0.11 -1.57 0.00 0.00 179.24 177.85 3k5n h LYS 672 N 0.00 -0.13 -0.06 3.56 1.79 0.97 -1.98 116.57 120.73 3k5n h LYS 672 Ca -0.00 0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.30 3k5n h LYS 672 Cb 0.29 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3k5n h LYS 672 CO 0.01 0.21 -0.68 1.37 -1.08 0.00 0.00 179.45 179.29 3k5n h LEU 673 N -0.48 0.69 -1.69 2.94 -0.00 -0.22 1.74 115.31 118.30 3k5n h LEU 673 Ca -0.01 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 57.17 3k5n h LEU 673 Cb 0.40 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 3k5n h LEU 673 CO 0.02 1.29 0.21 -0.03 -0.00 0.00 0.00 178.44 179.93 3k5n h MET 674 N 0.16 0.42 0.00 0.17 4.05 -0.92 4.26 114.93 123.07 3k5n h MET 674 Ca -0.07 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3k5n h MET 674 Cb 1.34 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 3k5n h MET 674 CO 0.14 0.28 0.00 0.00 0.23 0.00 0.00 176.91 177.55 3k5n n ALA 675 N -2.49 1.82 -0.14 0.39 0.00 -0.74 -4.83 120.51 114.52 3k5n n ALA 675 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k5n n ALA 675 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3k5n n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5n n GLY 676 N 0.35 0.63 0.43 0.00 0.00 1.40 -4.99 105.19 103.01 3k5n n GLY 676 Ca 0.03 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.29 3k5n n GLY 676 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k5n h GLU 677 N 4.53 0.19 -2.13 1.61 4.57 0.26 -3.27 114.58 120.34 3k5n h GLU 677 Ca 0.00 -0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.59 3k5n h GLU 677 Cb 0.00 -0.04 -0.41 0.00 -0.16 0.00 0.00 28.75 28.14 3k5n h GLU 677 CO 0.00 0.13 -0.78 1.28 -1.18 0.00 0.00 179.01 178.45 3k5n n LEU 678 N -4.40 2.61 0.16 1.64 4.77 -1.25 -4.91 117.00 115.62 3k5n n LEU 678 Ca 0.19 -5.22 0.02 0.00 -0.03 0.00 0.00 56.01 50.98 3k5n n LEU 678 Cb 0.84 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 41.93 3k5n n LEU 678 CO 0.34 2.10 0.55 0.44 -1.33 0.00 0.00 177.39 179.49 3k5n h ASP 679 N 3.96 0.00 -0.50 -1.43 5.19 -1.94 -3.24 116.42 118.47 3k5n h ASP 679 Ca 0.15 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 3k5n h ASP 679 Cb 0.73 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 3k5n h ASP 679 CO 0.71 0.51 0.26 0.00 -3.12 0.00 0.00 179.24 177.60 3k5n h ALA 680 N 1.49 1.47 0.00 3.45 0.00 -1.93 0.28 119.26 124.02 3k5n h ALA 680 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k5n h ALA 680 Cb 1.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k5n h ALA 680 CO 0.07 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.28 3k5n n ARG 681 N -4.38 0.33 -0.24 0.00 1.74 -1.22 -3.49 116.66 109.39 3k5n n ARG 681 Ca 0.05 0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 3k5n n ARG 681 Cb 0.12 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.27 3k5n n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k5n n LEU 682 N -1.11 2.51 -4.70 0.55 4.77 0.09 -0.97 117.00 118.14 3k5n n LEU 682 Ca 0.09 -1.25 -0.39 0.00 -0.03 0.00 0.00 56.01 54.42 3k5n n LEU 682 Cb 0.07 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3k5n n LEU 682 CO 0.08 0.63 0.25 -0.69 -1.33 0.00 0.00 177.39 176.33 3k5n s VAL 683 N -1.37 5.13 -0.14 4.08 1.01 -1.23 -4.72 120.40 123.15 3k5n s VAL 683 Ca 0.31 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.29 3k5n s VAL 683 Cb 0.16 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3k5n s VAL 683 CO 0.21 0.26 0.13 -0.31 0.00 0.00 0.00 175.10 175.40 3k5n s TYR 684 N 0.97 3.52 -0.08 5.22 2.02 -0.67 -4.34 117.35 123.98 3k5n s TYR 684 Ca 0.28 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 3k5n s TYR 684 Cb -0.16 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3k5n s TYR 684 CO 0.12 0.58 -0.09 0.50 -1.57 0.00 0.00 175.55 175.09 3k5n s ARG 685 N -0.59 1.44 -0.08 -0.62 3.52 -1.26 -0.52 118.95 120.84 3k5n s ARG 685 Ca 0.13 -0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.35 3k5n s ARG 685 Cb -0.12 -1.36 0.02 0.00 -1.56 0.00 0.00 34.95 31.94 3k5n s ARG 685 CO 0.02 -0.11 0.26 0.21 -0.81 0.00 0.00 175.30 174.86 3k5n s LYS 686 N 1.15 0.36 0.50 5.12 2.20 -0.57 -4.54 119.74 123.96 3k5n s LYS 686 Ca -0.06 0.24 -0.20 0.00 -0.36 0.00 0.00 55.97 55.59 3k5n s LYS 686 Cb -0.14 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.27 3k5n s LYS 686 CO -0.02 -0.06 1.03 -0.98 -0.36 0.00 0.00 175.35 174.97 3k5n s ARG 687 N -0.15 3.77 -0.27 4.03 3.03 -1.26 -1.55 118.95 126.56 3k5n s ARG 687 Ca -0.03 1.32 -0.07 0.00 2.03 0.00 0.00 55.73 58.99 3k5n s ARG 687 Cb -0.03 -2.09 -0.01 0.00 -1.03 0.00 0.00 34.95 31.79 3k5n s ARG 687 CO 0.01 -0.45 0.07 -0.51 -1.13 0.00 0.00 175.30 173.29 3k5n s LEU 688 N -3.59 3.57 0.14 -1.89 1.43 0.40 -4.90 118.68 113.84 3k5n s LEU 688 Ca 0.66 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 3k5n s LEU 688 Cb -0.16 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3k5n s LEU 688 CO 0.22 -0.10 1.35 0.03 0.23 0.00 0.00 176.35 178.08 3k5n h ARG 689 N 8.23 0.54 -6.54 1.70 3.08 -1.96 -2.72 114.38 116.71 3k5n h ARG 689 Ca -0.36 -0.48 -0.65 0.00 0.07 0.00 0.00 59.98 58.57 3k5n h ARG 689 Cb 1.15 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 31.14 3k5n h ARG 689 CO 0.59 1.11 -0.81 1.03 -1.07 0.00 0.00 179.97 180.82 3k5n s ARG 690 N -3.55 1.55 0.26 0.04 0.52 -1.26 -4.69 118.95 111.81 3k5n s ARG 690 Ca -0.07 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.27 3k5n s ARG 690 Cb 0.09 -1.83 -0.14 0.00 0.52 0.00 0.00 34.95 33.59 3k5n s ARG 690 CO 0.87 0.39 1.10 -2.30 0.02 0.00 0.00 175.30 175.38 3k5n n PRO 691 N 0.11 1.42 -0.28 3.54 -0.02 -1.26 -4.08 135.00 134.43 3k5n n PRO 691 Ca -0.11 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3k5n n PRO 691 Cb 0.57 -1.94 0.35 0.00 -0.02 0.00 0.00 33.50 32.45 3k5n n PRO 691 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k5n h LEU 692 N 2.59 0.72 -0.29 2.45 4.07 -1.42 -1.58 115.31 121.85 3k5n h LEU 692 Ca -0.41 0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.62 3k5n h LEU 692 Cb 1.33 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 3k5n h LEU 692 CO 0.65 0.37 0.08 0.28 -1.08 0.00 0.00 178.44 178.74 3k5n h SER 693 N 0.76 0.07 0.00 -0.43 0.02 -1.85 -2.47 113.55 109.66 3k5n h SER 693 Ca 0.45 0.04 -0.65 0.00 -0.84 0.00 0.00 61.79 60.79 3k5n h SER 693 Cb 0.64 0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.24 3k5n h SER 693 CO -0.21 0.08 3.78 -1.84 -1.14 0.00 0.00 176.83 177.49 3k5n n GLU 694 N -5.05 3.59 -3.22 3.45 0.28 -0.59 -4.33 120.64 114.76 3k5n n GLU 694 Ca -0.00 -2.15 -0.24 0.00 -0.16 0.00 0.00 57.16 54.60 3k5n n GLU 694 Cb 0.11 -2.78 -0.07 0.00 1.43 0.00 0.00 31.44 30.13 3k5n n GLU 694 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3k5n n TYR 695 N 3.65 -0.00 -0.78 -1.84 4.01 -0.93 -4.72 117.16 116.55 3k5n n TYR 695 Ca 0.76 -3.61 0.08 0.00 -0.16 0.00 0.00 57.90 54.97 3k5n n TYR 695 Cb 0.22 -0.35 0.25 0.00 -0.31 0.00 0.00 39.34 39.16 3k5n n TYR 695 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3k5n n GLN 696 N 1.41 3.12 -0.20 -0.72 -0.06 -1.26 -4.36 117.38 115.31 3k5n n GLN 696 Ca 0.22 -2.69 -0.08 0.00 -2.00 0.00 0.00 57.00 52.45 3k5n n GLN 696 Cb 0.52 -1.75 0.02 0.00 -4.06 0.00 0.00 30.24 24.97 3k5n n GLN 696 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3k5n h ARG 697 N 2.17 0.86 0.00 3.69 2.43 -1.97 -3.48 114.38 118.07 3k5n h ARG 697 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3k5n h ARG 697 Cb 1.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3k5n h ARG 697 CO 0.19 0.75 0.00 0.27 -1.51 0.00 0.00 179.97 179.67 3k5n n ASN 698 N -4.48 0.00 -4.54 -3.80 6.94 -1.26 -5.09 115.26 103.02 3k5n n ASN 698 Ca 0.03 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.21 3k5n n ASN 698 Cb 0.17 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.48 3k5n n ASN 698 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3k5n s VAL 699 N -2.14 5.03 0.62 3.53 0.11 -1.26 -5.04 120.40 121.26 3k5n s VAL 699 Ca 0.00 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.94 3k5n s VAL 699 Cb 0.00 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 3k5n s VAL 699 CO 0.00 0.24 1.05 -2.84 -3.33 0.00 0.00 175.10 170.23 3k5n s PRO 700 N 1.72 3.24 0.24 1.54 0.02 -1.26 -4.89 135.00 135.61 3k5n s PRO 700 Ca 0.07 1.10 -0.06 0.00 0.02 0.00 0.00 61.00 62.13 3k5n s PRO 700 Cb -0.16 -2.03 0.30 0.00 0.02 0.00 0.00 34.50 32.63 3k5n s PRO 700 CO 0.09 -0.87 1.88 -1.35 -0.33 0.00 0.00 177.00 176.42 3k5n h PRO 701 N 0.08 1.10 -0.20 5.54 0.11 -2.00 -2.28 132.00 134.34 3k5n h PRO 701 Ca -0.46 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 3k5n h PRO 701 Cb 1.21 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3k5n h PRO 701 CO 0.57 0.73 -0.47 1.12 -0.21 0.00 0.00 178.00 179.74 3k5n h HIS 702 N 1.13 0.63 -0.44 0.65 2.07 -1.98 -1.95 115.15 115.27 3k5n h HIS 702 Ca 0.37 -0.20 0.03 0.00 -2.85 0.00 0.00 60.37 57.72 3k5n h HIS 702 Cb 0.03 -0.13 -0.04 0.00 2.57 0.00 0.00 27.41 29.85 3k5n h HIS 702 CO -0.01 0.89 0.23 -0.24 -3.07 0.00 0.00 177.93 175.73 3k5n h VAL 703 N 0.42 0.98 -0.73 6.12 3.04 -1.79 -0.06 116.25 124.23 3k5n h VAL 703 Ca 0.02 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.50 3k5n h VAL 703 Cb 0.98 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.72 3k5n h VAL 703 CO 0.09 0.08 0.23 0.08 -1.01 0.00 0.00 177.57 177.04 3k5n h ARG 704 N 0.46 1.12 -0.91 4.17 0.11 -1.27 1.33 114.38 119.40 3k5n h ARG 704 Ca 0.19 -0.24 0.11 0.00 0.10 0.00 0.00 59.98 60.14 3k5n h ARG 704 Cb 0.08 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 30.92 3k5n h ARG 704 CO -0.12 0.96 0.54 0.00 0.10 0.00 0.00 179.97 181.44 3k5n h ALA 705 N 1.11 1.34 -0.44 0.08 0.00 -0.90 1.32 119.26 121.78 3k5n h ALA 705 Ca 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3k5n h ALA 705 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3k5n h ALA 705 CO -0.01 0.13 0.19 0.00 0.00 0.00 0.00 179.25 179.56 3k5n h ALA 706 N 1.51 0.57 -0.36 0.00 0.00 0.15 0.07 119.26 121.18 3k5n h ALA 706 Ca 0.45 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3k5n h ALA 706 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3k5n h ALA 706 CO -0.27 0.16 -0.25 0.00 0.00 0.00 0.00 179.25 178.88 3k5n h ARG 707 N 0.56 0.74 -0.26 0.00 3.08 0.39 -2.66 114.38 116.24 3k5n h ARG 707 Ca 0.15 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.90 3k5n h ARG 707 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3k5n h ARG 707 CO -0.01 0.92 0.15 -0.07 -1.07 0.00 0.00 179.97 179.88 3k5n h LEU 708 N 0.64 0.25 -0.53 3.04 3.38 0.20 -3.00 115.31 119.30 3k5n h LEU 708 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3k5n h LEU 708 Cb 0.76 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3k5n h LEU 708 CO 0.06 0.18 0.22 0.00 0.09 0.00 0.00 178.44 179.00 3k5n h ALA 709 N 1.11 0.68 -0.40 1.53 0.00 -0.80 -2.96 119.26 118.43 3k5n h ALA 709 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3k5n h ALA 709 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3k5n h ALA 709 CO -0.04 0.28 -0.07 -0.44 0.00 0.00 0.00 179.25 178.97 3k5n h ASP 710 N 0.71 0.65 -0.22 0.00 5.19 -1.34 0.85 116.42 122.27 3k5n h ASP 710 Ca 0.18 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3k5n h ASP 710 Cb 0.17 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3k5n h ASP 710 CO -0.02 0.77 0.14 1.05 -3.12 0.00 0.00 179.24 178.06 3k5n h GLU 711 N 0.62 0.29 -0.83 3.56 4.11 -1.49 0.56 114.58 121.40 3k5n h GLU 711 Ca 0.12 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.63 3k5n h GLU 711 Cb 0.50 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 3k5n h GLU 711 CO 0.03 0.22 0.47 1.49 0.07 0.00 0.00 179.01 181.28 3k5n h GLU 712 N 0.28 0.73 -0.73 1.06 4.22 -0.94 2.96 114.58 122.15 3k5n h GLU 712 Ca 0.08 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.51 3k5n h GLU 712 Cb -0.00 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3k5n h GLU 712 CO -0.02 0.49 0.48 -0.91 -2.18 0.00 0.00 179.01 176.87 3k5n h ASN 713 N 0.76 0.75 0.23 1.04 2.35 0.24 -2.58 115.58 118.36 3k5n h ASN 713 Ca 0.41 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3k5n h ASN 713 Cb 0.43 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3k5n h ASN 713 CO -0.27 0.51 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.16 3k5n h GLN 714 N 0.86 -0.50 -0.64 0.81 5.75 1.05 -0.37 115.11 122.07 3k5n h GLN 714 Ca 0.30 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.89 3k5n h GLN 714 Cb 0.10 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 3k5n h GLN 714 CO -0.09 -0.33 0.35 0.87 -2.65 0.00 0.00 178.83 176.98 3k5n h LYS 715 N -0.52 0.63 0.00 1.69 1.57 -0.73 1.02 116.57 120.22 3k5n h LYS 715 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k5n h LYS 715 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3k5n h LYS 715 CO -0.07 0.42 0.00 0.54 -0.57 0.00 0.00 179.45 179.77 3k5n n ARG 716 N -4.81 0.45 -3.72 3.15 1.74 -1.03 -4.83 116.66 107.61 3k5n n ARG 716 Ca 0.08 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.93 3k5n n ARG 716 Cb 0.17 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3k5n n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5n n GLY 717 N 0.11 -0.53 3.45 -0.13 0.00 0.35 -4.99 105.19 103.46 3k5n n GLY 717 Ca 0.11 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 3k5n n GLY 717 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k5n s ARG 718 N -6.43 1.63 0.40 1.61 1.70 -0.26 -5.01 118.95 112.58 3k5n s ARG 718 Ca 0.62 -1.50 -0.24 0.00 -0.47 0.00 0.00 55.73 54.14 3k5n s ARG 718 Cb -0.29 -1.90 -0.12 0.00 -0.57 0.00 0.00 34.95 32.07 3k5n s ARG 718 CO 0.76 0.40 0.71 -0.35 -1.08 0.00 0.00 175.30 175.74 3k5n n PRO 719 N 0.16 0.80 -2.92 3.89 -0.04 -1.26 -4.11 135.00 131.52 3k5n n PRO 719 Ca -0.12 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 3k5n n PRO 719 Cb 0.56 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3k5n n PRO 719 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k5n s LEU 720 N 1.11 4.37 0.00 1.53 1.02 -1.26 -4.89 118.68 120.56 3k5n s LEU 720 Ca 0.63 1.41 0.08 0.00 0.02 0.00 0.00 54.13 56.27 3k5n s LEU 720 Cb -0.62 -3.28 0.04 0.00 0.02 0.00 0.00 46.19 42.35 3k5n s LEU 720 CO 0.58 -0.12 0.69 0.00 0.02 0.00 0.00 176.35 177.51 3k5n n GLN 721 N 3.52 0.88 -0.08 1.70 10.64 -1.26 -4.49 117.38 128.30 3k5n n GLN 721 Ca 0.01 -0.83 0.05 0.00 -1.83 0.00 0.00 57.00 54.40 3k5n n GLN 721 Cb 0.51 -1.11 0.09 0.00 -0.86 0.00 0.00 30.24 28.87 3k5n n GLN 721 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3k5n n TYR 722 N 0.20 0.11 -0.12 2.61 4.01 -1.26 -4.73 117.16 117.97 3k5n n TYR 722 Ca 0.04 -0.72 -0.05 0.00 -0.16 0.00 0.00 57.90 57.01 3k5n n TYR 722 Cb 0.19 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3k5n n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k5n h GLN 723 N 0.31 0.27 -3.41 -0.72 1.08 -1.95 -3.36 115.11 107.33 3k5n h GLN 723 Ca 0.00 -0.02 -0.59 0.00 -1.45 0.00 0.00 58.65 56.59 3k5n h GLN 723 Cb 0.79 -0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 27.76 3k5n h GLN 723 CO 0.02 0.18 -0.75 -0.80 -0.95 0.00 0.00 178.83 176.52 3k5n s ASN 724 N -5.36 3.92 0.32 1.46 0.02 -1.26 -1.24 114.94 112.79 3k5n s ASN 724 Ca -0.13 -1.94 0.00 0.00 -1.02 0.00 0.00 52.86 49.77 3k5n s ASN 724 Cb 0.13 -0.92 0.00 0.00 0.02 0.00 0.00 41.25 40.49 3k5n s ASN 724 CO 0.72 -0.37 0.00 0.54 0.02 0.00 0.00 177.10 178.01 3k5n n ARG 725 N 4.46 -4.43 -1.37 -0.60 1.74 -1.25 -4.91 116.66 110.30 3k5n n ARG 725 Ca 0.02 3.19 0.00 0.00 -0.77 0.00 0.00 57.85 60.29 3k5n n ARG 725 Cb 0.40 -3.61 0.00 0.00 -1.02 0.00 0.00 32.46 28.23 3k5n n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5n n GLY 726 N 0.62 0.75 3.26 -0.13 0.00 -1.02 -4.89 105.19 103.77 3k5n n GLY 726 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3k5n n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5n s THR 727 N -2.16 2.32 -0.02 2.61 2.01 -1.26 0.15 115.64 119.29 3k5n s THR 727 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.14 3k5n s THR 727 Cb 0.00 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3k5n s THR 727 CO 0.00 0.55 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.63 3k5n s ILE 728 N 0.33 2.36 -0.16 1.82 -1.09 -0.60 -4.95 121.20 118.91 3k5n s ILE 728 Ca -0.17 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.22 3k5n s ILE 728 Cb -0.17 -1.86 -0.00 0.00 -1.58 0.00 0.00 42.46 38.84 3k5n s ILE 728 CO 0.08 0.56 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.68 3k5n s LYS 729 N -0.72 3.26 0.00 2.79 1.02 -1.26 -1.51 119.74 123.32 3k5n s LYS 729 Ca 0.11 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3k5n s LYS 729 Cb -0.10 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3k5n s LYS 729 CO -0.00 -0.00 0.00 2.48 -0.92 0.00 0.00 175.35 176.91 3k5n n TYR 730 N 4.13 0.00 -3.78 3.18 0.18 0.33 -0.75 117.16 120.44 3k5n n TYR 730 Ca -0.19 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.50 3k5n n TYR 730 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 3k5n n TYR 730 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3k5n s VAL 731 N -1.60 0.01 -0.19 -3.48 1.01 -0.60 -1.67 120.40 113.88 3k5n s VAL 731 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3k5n s VAL 731 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3k5n s VAL 731 CO 0.00 -0.03 0.09 0.86 0.00 0.00 0.00 175.10 176.02 3k5n s TRP 732 N -3.89 3.30 0.33 5.22 -0.11 -1.26 -0.31 118.94 122.21 3k5n s TRP 732 Ca 0.11 0.15 0.05 0.00 1.22 0.00 0.00 56.10 57.62 3k5n s TRP 732 Cb -0.03 -2.12 -0.06 0.00 -1.50 0.00 0.00 33.47 29.75 3k5n s TRP 732 CO 0.02 0.17 0.02 0.99 -4.62 0.00 0.00 176.95 173.53 3k5n s THR 733 N 0.46 1.42 0.25 5.86 2.01 1.92 -1.99 115.64 125.57 3k5n s THR 733 Ca 0.05 -2.03 -0.05 0.00 0.31 0.00 0.00 61.69 59.97 3k5n s THR 733 Cb -0.12 -2.75 0.23 0.00 0.01 0.00 0.00 72.50 69.87 3k5n s THR 733 CO -0.00 -0.07 1.87 0.74 -0.69 0.00 0.00 174.62 176.47 3k5n h THR 734 N 2.10 1.09 -0.54 -0.82 2.02 0.20 1.29 112.91 118.25 3k5n h THR 734 Ca -0.41 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 3k5n h THR 734 Cb 1.24 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3k5n h THR 734 CO 0.71 0.19 -0.06 0.78 0.37 0.00 0.00 175.52 177.51 3k5n h ASN 735 N 1.07 0.96 0.00 4.18 4.21 -1.92 -3.49 115.58 120.59 3k5n h ASN 735 Ca 0.38 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.60 3k5n h ASN 735 Cb 0.11 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 3k5n h ASN 735 CO -0.15 1.05 0.00 0.61 -1.29 0.00 0.00 177.43 177.65 3k5n n GLY 736 N -0.39 0.24 3.76 2.83 0.00 0.44 -5.12 105.19 106.95 3k5n n GLY 736 Ca 0.02 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 3k5n n GLY 736 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k5n s PRO 737 N -2.00 4.65 -0.15 1.61 0.02 -1.25 0.51 135.00 138.39 3k5n s PRO 737 Ca 0.00 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 62.68 3k5n s PRO 737 Cb 0.00 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.36 3k5n s PRO 737 CO 0.00 0.23 0.39 -1.21 -0.33 0.00 0.00 177.00 176.08 3k5n s GLU 738 N -1.39 0.43 0.57 5.54 2.02 0.57 -4.49 118.70 121.96 3k5n s GLU 738 Ca 0.44 0.59 -0.20 0.00 0.02 0.00 0.00 54.97 55.82 3k5n s GLU 738 Cb -0.31 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 3k5n s GLU 738 CO 0.40 -0.08 1.12 -0.35 0.02 0.00 0.00 175.26 176.37 3k5n n PRO 739 N 3.18 1.19 -0.13 0.39 -0.04 -1.26 -1.55 135.00 136.79 3k5n n PRO 739 Ca -0.15 0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 3k5n n PRO 739 Cb 0.57 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 3k5n n PRO 739 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3k5n h LEU 740 N 0.87 0.72 -0.94 1.53 5.85 -1.24 -3.10 115.31 119.01 3k5n h LEU 740 Ca -0.49 -0.35 0.16 0.00 0.84 0.00 0.00 57.88 58.04 3k5n h LEU 740 Cb 1.34 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 3k5n h LEU 740 CO 0.53 0.91 0.55 0.44 -0.34 0.00 0.00 178.44 180.53 3k5n h ASP 741 N 0.53 0.72 -3.28 1.25 3.32 -1.91 -3.36 116.42 113.70 3k5n h ASP 741 Ca 0.10 0.08 -0.66 0.00 0.02 0.00 0.00 57.03 56.57 3k5n h ASP 741 Cb 0.58 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 39.78 3k5n h ASP 741 CO 0.03 0.31 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.76 3k5n s TYR 742 N -5.93 2.83 0.05 4.55 2.02 -1.17 -5.11 117.35 114.59 3k5n s TYR 742 Ca -0.12 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.55 3k5n s TYR 742 Cb 0.23 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3k5n s TYR 742 CO 0.79 -0.52 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.01 3k5n s GLN 743 N 1.02 0.68 -0.49 -0.62 0.74 -1.26 -4.15 119.66 115.58 3k5n s GLN 743 Ca -0.01 -0.78 0.06 0.00 0.05 0.00 0.00 55.36 54.68 3k5n s GLN 743 Cb -0.15 -0.59 0.21 0.00 1.10 0.00 0.00 33.01 33.58 3k5n s GLN 743 CO -0.03 0.13 0.48 0.54 -0.55 0.00 0.00 175.29 175.87 3k5n n ARG 744 N 1.60 0.98 0.00 1.67 1.74 -1.26 -5.11 116.66 116.28 3k5n n ARG 744 Ca -0.21 -3.63 0.00 0.00 -0.77 0.00 0.00 57.85 53.24 3k5n n ARG 744 Cb 0.55 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3k5n n ARG 744 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3k5n n SER 745 N 1.94 0.00 -4.37 0.55 7.64 -1.26 -4.92 113.62 113.20 3k5n n SER 745 Ca 0.25 0.00 -0.62 0.00 1.01 0.00 0.00 58.87 59.52 3k5n n SER 745 Cb 0.46 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 3k5n n SER 745 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k5n n PRO 746 N 13.60 0.00 -4.86 1.43 -0.04 -1.26 -4.82 135.00 139.05 3k5n n PRO 746 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 3k5n n PRO 746 Cb 0.00 -1.39 -0.17 0.00 -0.04 0.00 0.00 33.50 31.90 3k5n n PRO 746 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3k5n s LEU 747 N 2.39 1.85 -0.27 1.53 2.34 -1.25 0.89 118.68 126.16 3k5n s LEU 747 Ca 0.96 -0.43 -0.10 0.00 0.06 0.00 0.00 54.13 54.62 3k5n s LEU 747 Cb -1.36 -1.11 -0.04 0.00 -0.56 0.00 0.00 46.19 43.11 3k5n s LEU 747 CO 0.73 0.09 0.15 1.51 -1.06 0.00 0.00 176.35 177.77 3k5n s ASP 748 N 0.55 5.74 0.58 1.48 1.47 -0.84 -4.76 116.67 120.88 3k5n s ASP 748 Ca -0.16 -0.08 0.33 0.00 1.18 0.00 0.00 52.55 53.82 3k5n s ASP 748 Cb -0.17 -2.06 1.79 0.00 -0.34 0.00 0.00 42.92 42.15 3k5n s ASP 748 CO 0.06 -0.05 2.19 1.88 0.68 0.00 0.00 175.17 179.92 3k5n h TYR 749 N 8.33 0.00 -0.69 2.11 0.05 -1.95 1.54 116.97 126.36 3k5n h TYR 749 Ca -0.36 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.56 3k5n h TYR 749 Cb 1.18 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.83 3k5n h TYR 749 CO 0.73 0.05 0.20 1.49 -1.05 0.00 0.00 178.16 179.57 3k5n h GLU 750 N 0.00 0.31 -0.43 4.88 4.57 -1.98 2.50 114.58 124.43 3k5n h GLU 750 Ca -0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3k5n h GLU 750 Cb 0.19 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3k5n h GLU 750 CO 0.01 0.21 0.13 1.25 -1.18 0.00 0.00 179.01 179.42 3k5n h HIS 751 N 0.32 0.69 -0.10 0.92 2.76 0.18 -2.18 115.15 117.75 3k5n h HIS 751 Ca 0.37 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.35 3k5n h HIS 751 Cb 0.58 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.35 3k5n h HIS 751 CO -0.23 0.64 -0.42 1.88 -1.30 0.00 0.00 177.93 178.50 3k5n h TYR 752 N 0.55 0.62 0.42 5.26 0.05 0.27 0.17 116.97 124.30 3k5n h TYR 752 Ca 0.14 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 3k5n h TYR 752 Cb 0.28 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3k5n h TYR 752 CO 0.01 1.02 -0.20 1.25 -1.05 0.00 0.00 178.16 179.20 3k5n h LEU 753 N 0.03 -0.47 -0.58 3.88 5.85 0.41 0.70 115.31 125.13 3k5n h LEU 753 Ca -0.02 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 3k5n h LEU 753 Cb 1.06 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3k5n h LEU 753 CO 0.09 -0.20 -0.68 0.00 -0.34 0.00 0.00 178.44 177.31 3k5n h THR 754 N -0.74 1.44 0.10 1.05 1.03 -1.50 -1.01 112.91 113.28 3k5n h THR 754 Ca -0.06 -2.20 -0.29 0.00 -0.01 0.00 0.00 66.41 63.85 3k5n h THR 754 Cb 0.52 2.17 0.02 0.00 -1.07 0.00 0.00 68.15 69.79 3k5n h THR 754 CO 0.09 0.64 -1.21 -0.09 -0.01 0.00 0.00 175.52 174.95 3k5n h ARG 755 N 0.11 0.58 0.00 0.00 9.65 -0.53 -3.38 114.38 120.80 3k5n h ARG 755 Ca -0.01 -0.76 -0.22 0.00 -1.10 0.00 0.00 59.98 57.89 3k5n h ARG 755 Cb 1.21 0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 30.01 3k5n h ARG 755 CO 0.10 1.34 -1.63 1.04 2.80 0.00 0.00 179.97 183.62 3k5n n GLN 756 N -3.76 0.36 -0.08 0.20 1.13 0.24 -4.76 117.38 110.71 3k5n n GLN 756 Ca -0.12 0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 3k5n n GLN 756 Cb 0.97 -1.11 -0.00 0.00 0.11 0.00 0.00 30.24 30.21 3k5n n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k5n h LEU 757 N -0.62 0.90 -1.08 1.08 4.07 -1.28 -3.24 115.31 115.13 3k5n h LEU 757 Ca -0.33 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3k5n h LEU 757 Cb 1.19 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3k5n h LEU 757 CO -0.20 1.21 0.00 0.00 -1.08 0.00 0.00 178.44 178.37 3k5n n GLN 758 N -4.03 1.69 -0.10 1.13 1.13 -0.40 -3.11 117.38 113.70 3k5n n GLN 758 Ca -0.03 -1.06 -0.13 0.00 -1.94 0.00 0.00 57.00 53.84 3k5n n GLN 758 Cb 0.57 -1.30 -0.10 0.00 0.11 0.00 0.00 30.24 29.53 3k5n n GLN 758 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3k5n n PRO 759 N 0.33 0.66 -0.24 -1.09 -0.02 -1.25 -3.78 135.00 129.62 3k5n n PRO 759 Ca 0.13 0.09 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 3k5n n PRO 759 Cb 0.28 -1.40 0.05 0.00 -0.02 0.00 0.00 33.50 32.41 3k5n n PRO 759 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3k5n h VAL 760 N 0.00 1.18 -0.20 -1.45 2.07 -1.57 -1.99 116.25 114.29 3k5n h VAL 760 Ca -0.44 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 66.58 3k5n h VAL 760 Cb 1.73 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3k5n h VAL 760 CO -0.05 0.18 -0.44 0.00 0.02 0.00 0.00 177.57 177.28 3k5n h ALA 761 N 1.22 0.86 -0.91 1.67 0.00 -1.76 -3.04 119.26 117.30 3k5n h ALA 761 Ca 0.24 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3k5n h ALA 761 Cb -0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3k5n h ALA 761 CO -0.05 0.65 0.59 1.49 0.00 0.00 0.00 179.25 181.93 3k5n h GLU 762 N 0.41 1.01 -0.59 0.00 4.22 -1.46 0.69 114.58 118.85 3k5n h GLU 762 Ca 0.03 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.33 3k5n h GLU 762 Cb 0.94 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3k5n h GLU 762 CO 0.08 0.67 0.07 0.78 -2.18 0.00 0.00 179.01 178.43 3k5n h GLY 763 N 1.04 1.08 0.00 1.92 0.00 -1.36 -3.36 103.07 102.38 3k5n h GLY 763 Ca 0.39 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3k5n h GLY 763 CO -0.14 0.68 -1.84 4.51 0.00 0.00 0.00 176.54 179.75 3k5n n ILE 764 N -4.28 0.18 -0.02 2.60 3.06 -0.94 -4.69 119.36 115.27 3k5n n ILE 764 Ca 0.03 -0.44 -0.11 0.00 -2.50 0.00 0.00 62.75 59.73 3k5n n ILE 764 Cb 0.30 -0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.51 3k5n n ILE 764 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3k5n h LEU 765 N 0.00 0.70 -1.11 9.51 5.85 -1.02 -3.35 115.31 125.89 3k5n h LEU 765 Ca -0.07 -0.37 0.20 0.00 0.84 0.00 0.00 57.88 58.48 3k5n h LEU 765 Cb 0.98 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 3k5n h LEU 765 CO 0.00 1.10 0.62 -0.65 -0.34 0.00 0.00 178.44 179.17 3k5n h PRO 766 N 0.49 0.66 -0.08 5.25 0.11 -1.76 -2.90 132.00 133.77 3k5n h PRO 766 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3k5n h PRO 766 Cb 1.09 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3k5n h PRO 766 CO 0.11 0.44 0.05 0.74 -0.21 0.00 0.00 178.00 179.12 3k5n h PHE 767 N 0.68 0.11 -0.24 0.65 0.04 -1.90 -2.49 116.94 113.79 3k5n h PHE 767 Ca 0.57 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.24 3k5n h PHE 767 Cb 1.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 3k5n h PHE 767 CO -0.00 0.10 -0.29 -0.84 -0.60 0.00 0.00 178.31 176.68 3k5n h ILE 768 N 0.08 1.27 0.00 -0.55 3.07 -1.78 -3.49 117.51 116.11 3k5n h ILE 768 Ca 0.03 -1.33 0.00 0.00 1.55 0.00 0.00 64.86 65.10 3k5n h ILE 768 Cb 0.02 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 3k5n h ILE 768 CO -0.01 0.42 0.00 -0.62 -1.05 0.00 0.00 178.15 176.89