#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3w s ASN 2 N 0.00 3.60 -0.04 6.43 4.22 -0.09 -3.66 114.94 125.40 3k3w s ASN 2 Ca 0.00 -0.63 0.07 0.00 -2.14 0.00 0.00 52.86 50.16 3k3w s ASN 2 Cb 0.00 -1.57 -0.01 0.00 1.28 0.00 0.00 41.25 40.95 3k3w s ASN 2 CO 0.00 -0.02 -0.25 -0.22 -2.04 0.00 0.00 177.10 174.56 3k3w s LEU 3 N 1.34 2.06 -0.06 3.54 0.20 -0.28 0.55 118.68 126.03 3k3w s LEU 3 Ca 0.04 -0.49 -0.02 0.00 0.69 0.00 0.00 54.13 54.35 3k3w s LEU 3 Cb -0.14 -1.36 0.03 0.00 -0.43 0.00 0.00 46.19 44.29 3k3w s LEU 3 CO -0.09 0.27 0.04 -1.66 -0.29 0.00 0.00 176.35 174.62 3k3w s TRP 4 N -0.34 0.30 -0.08 5.38 -2.14 -0.18 -0.14 118.94 121.74 3k3w s TRP 4 Ca 0.02 0.07 0.05 0.00 2.66 0.00 0.00 56.10 58.89 3k3w s TRP 4 Cb -0.12 -0.61 -0.00 0.00 -3.10 0.00 0.00 33.47 29.63 3k3w s TRP 4 CO 0.02 -0.26 -0.23 -1.54 -2.66 0.00 0.00 176.95 172.28 3k3w s SER 5 N 2.09 2.94 0.29 -2.66 1.04 0.10 -2.33 113.70 115.18 3k3w s SER 5 Ca 0.05 -0.51 0.10 0.00 0.48 0.00 0.00 55.95 56.07 3k3w s SER 5 Cb -0.12 -1.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.84 3k3w s SER 5 CO -0.04 0.18 -0.09 0.42 0.98 0.00 0.00 173.24 174.69 3k3w s THR 6 N 0.15 2.77 0.37 2.02 -4.23 0.32 -0.53 115.64 116.51 3k3w s THR 6 Ca -0.12 -2.16 0.08 0.00 -1.18 0.00 0.00 61.69 58.31 3k3w s THR 6 Cb -0.16 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 3k3w s THR 6 CO 0.06 -0.34 0.12 0.00 -0.54 0.00 0.00 174.62 173.92 3k3w s ARG 7 N -3.61 2.22 0.64 3.99 1.70 -1.10 -1.84 118.95 120.96 3k3w s ARG 7 Ca 0.32 -1.72 0.27 0.00 -0.47 0.00 0.00 55.73 54.12 3k3w s ARG 7 Cb -0.04 -2.02 1.43 0.00 -0.57 0.00 0.00 34.95 33.75 3k3w s ARG 7 CO 0.17 0.03 1.82 -1.35 -1.08 0.00 0.00 175.30 174.90 3k3w h PRO 8 N 1.58 0.00 -0.81 3.89 0.11 -1.82 -1.17 132.00 133.79 3k3w h PRO 8 Ca -0.43 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.82 3k3w h PRO 8 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 3k3w h PRO 8 CO 0.67 0.00 0.53 0.93 -0.21 0.00 0.00 178.00 179.92 3k3w h GLU 9 N 0.00 0.53 0.00 1.05 5.08 -1.92 -3.19 114.58 116.12 3k3w h GLU 9 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3k3w h GLU 9 Cb 0.99 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3k3w h GLU 9 CO -0.00 0.35 -1.28 0.54 -1.00 0.00 0.00 179.01 177.61 3k3w n ARG 10 N -4.51 1.17 -4.09 2.33 5.12 -0.44 -4.96 116.66 111.27 3k3w n ARG 10 Ca 0.16 -0.08 -0.34 0.00 -1.93 0.00 0.00 57.85 55.65 3k3w n ARG 10 Cb 0.50 -1.25 -0.10 0.00 -1.16 0.00 0.00 32.46 30.44 3k3w n ARG 10 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k3w s VAL 11 N -2.70 4.64 0.37 1.55 0.11 -1.21 -2.45 120.40 120.70 3k3w s VAL 11 Ca -0.02 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3k3w s VAL 11 Cb 0.09 -3.07 0.29 0.00 -1.53 0.00 0.00 36.38 32.16 3k3w s VAL 11 CO 0.55 0.48 1.98 1.56 -3.33 0.00 0.00 175.10 176.35 3k3w h GLN 12 N 6.51 0.73 -0.84 1.54 4.20 -1.17 -2.39 115.11 123.70 3k3w h GLN 12 Ca -0.38 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.17 3k3w h GLN 12 Cb 1.17 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.72 3k3w h GLN 12 CO 0.68 0.48 0.15 0.39 -0.67 0.00 0.00 178.83 179.86 3k3w n GLU 13 N -4.47 2.81 -3.48 1.46 1.02 -1.26 -4.96 120.64 111.76 3k3w n GLU 13 Ca 0.09 -1.92 -0.28 0.00 -0.02 0.00 0.00 57.16 55.03 3k3w n GLU 13 Cb 0.18 -1.89 0.01 0.00 -0.02 0.00 0.00 31.44 29.73 3k3w n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k3w n GLY 14 N 0.05 -0.61 3.29 0.62 0.00 -0.90 -5.00 105.19 102.64 3k3w n GLY 14 Ca 0.25 0.74 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 3k3w n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k3w s SER 15 N -2.22 -0.38 -0.74 1.61 0.01 -1.26 -4.83 113.70 105.89 3k3w s SER 15 Ca 0.14 0.64 -0.27 0.00 1.31 0.00 0.00 55.95 57.77 3k3w s SER 15 Cb -0.01 0.69 0.02 0.00 0.21 0.00 0.00 66.02 66.93 3k3w s SER 15 CO 0.79 -0.23 1.36 -0.89 0.41 0.00 0.00 173.24 174.68 3k3w s THR 16 N -0.19 3.69 -0.05 1.44 2.01 -1.25 -3.79 115.64 117.50 3k3w s THR 16 Ca -0.04 0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 3k3w s THR 16 Cb -0.03 -4.81 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 3k3w s THR 16 CO 0.02 -1.75 0.50 -0.69 -0.69 0.00 0.00 174.62 172.01 3k3w s VAL 17 N 6.11 5.05 -0.33 3.82 1.01 -0.77 -3.65 120.40 131.65 3k3w s VAL 17 Ca 0.40 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 3k3w s VAL 17 Cb -0.08 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.59 3k3w s VAL 17 CO 0.14 0.42 0.17 -0.22 0.00 0.00 0.00 175.10 175.61 3k3w s LEU 18 N -0.08 1.12 -0.28 3.92 0.20 -0.97 -0.52 118.68 122.07 3k3w s LEU 18 Ca 0.27 -1.80 -0.10 0.00 0.69 0.00 0.00 54.13 53.19 3k3w s LEU 18 Cb -0.17 -0.50 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 3k3w s LEU 18 CO 0.13 -0.37 0.16 -0.63 -0.29 0.00 0.00 176.35 175.35 3k3w s ILE 19 N 1.48 4.96 -0.04 6.68 1.01 -0.98 -2.55 121.20 131.76 3k3w s ILE 19 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.84 3k3w s ILE 19 Cb -0.20 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3k3w s ILE 19 CO -0.17 0.24 -0.21 0.21 0.00 0.00 0.00 174.94 175.01 3k3w s ASN 20 N 1.70 3.48 -0.48 3.58 2.47 -0.81 -1.01 114.94 123.87 3k3w s ASN 20 Ca 0.07 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 53.02 3k3w s ASN 20 Cb -0.16 -0.63 0.15 0.00 -1.45 0.00 0.00 41.25 39.16 3k3w s ASN 20 CO 0.08 0.32 0.31 -0.83 -3.72 0.00 0.00 177.10 173.26 3k3w s GLY 21 N -0.59 1.82 0.21 1.21 0.00 0.19 -2.64 107.32 107.52 3k3w s GLY 21 Ca 0.09 -2.80 -0.31 0.00 0.00 0.00 0.00 44.72 41.70 3k3w s GLY 21 CO 0.00 1.57 1.46 2.56 0.00 0.00 0.00 173.10 178.70 3k3w s PRO 22 N -0.04 4.26 -0.34 2.90 0.04 -1.24 -0.91 135.00 139.66 3k3w s PRO 22 Ca 0.22 2.29 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 3k3w s PRO 22 Cb -0.15 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.32 3k3w s PRO 22 CO -0.07 -0.46 0.09 -0.65 0.04 0.00 0.00 177.00 175.94 3k3w s GLN 23 N 0.18 2.36 0.00 4.56 -0.21 -1.26 -0.08 119.66 125.20 3k3w s GLN 23 Ca 0.63 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.60 3k3w s GLN 23 Cb -0.42 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.22 3k3w s GLN 23 CO 0.39 -0.76 0.00 1.19 -2.12 0.00 0.00 175.29 173.98 3k3w n PHE 24 N 4.66 0.00 0.00 0.91 3.72 -1.26 -4.63 117.46 120.86 3k3w n PHE 24 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3k3w n PHE 24 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3k3w n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k3w n GLY 25 N 1.46 2.26 3.59 1.37 0.00 -1.26 -4.99 105.19 107.62 3k3w n GLY 25 Ca 0.00 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 3k3w n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k3w s TRP 26 N -2.96 3.21 0.06 1.61 0.51 -1.26 -4.79 118.94 115.31 3k3w s TRP 26 Ca 0.00 -0.02 0.00 0.00 -2.12 0.00 0.00 56.10 53.96 3k3w s TRP 26 Cb 0.00 -2.15 -0.04 0.00 -0.81 0.00 0.00 33.47 30.48 3k3w s TRP 26 CO 0.00 0.01 -0.05 0.71 -0.51 0.00 0.00 176.95 177.12 3k3w s TYR 27 N 0.78 0.60 -0.10 -1.98 2.02 -1.26 -1.69 117.35 115.72 3k3w s TYR 27 Ca 0.04 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 3k3w s TYR 27 Cb -0.13 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3k3w s TYR 27 CO 0.02 -0.25 -0.15 1.21 -1.57 0.00 0.00 175.55 174.81 3k3w s ASN 28 N -2.54 2.40 1.09 2.29 2.47 -0.08 -3.82 114.94 116.75 3k3w s ASN 28 Ca 0.02 -0.42 -0.14 0.00 0.42 0.00 0.00 52.86 52.74 3k3w s ASN 28 Cb 0.02 -1.08 0.23 0.00 -1.45 0.00 0.00 41.25 38.98 3k3w s ASN 28 CO -0.06 0.02 1.09 -2.84 -3.72 0.00 0.00 177.10 171.59 3k3w s PRO 29 N 0.93 -0.29 0.13 0.43 0.02 -1.26 -4.46 135.00 130.51 3k3w s PRO 29 Ca -0.08 0.37 -0.34 0.00 0.02 0.00 0.00 61.00 60.97 3k3w s PRO 29 Cb -0.15 -1.67 -0.17 0.00 0.02 0.00 0.00 34.50 32.53 3k3w s PRO 29 CO -0.01 -3.18 1.02 0.00 -0.33 0.00 0.00 177.00 174.50 3k3w n ALA 30 N -4.46 -1.98 0.28 -1.55 0.00 -1.25 -4.84 120.51 106.71 3k3w n ALA 30 Ca 0.07 0.50 0.16 0.00 0.00 0.00 0.00 53.44 54.17 3k3w n ALA 30 Cb 0.58 -1.87 0.82 0.00 0.00 0.00 0.00 19.45 18.97 3k3w n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3k3w h TYR 31 N 2.83 0.00 -3.30 0.00 3.20 -1.85 -3.45 116.97 114.41 3k3w h TYR 31 Ca -0.42 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 60.80 3k3w h TYR 31 Cb 1.39 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.49 3k3w h TYR 31 CO 0.53 0.06 -0.77 0.99 -1.64 0.00 0.00 178.16 177.33 3k3w s THR 32 N -3.98 2.94 -0.08 1.81 2.01 -1.26 -2.08 115.64 114.99 3k3w s THR 32 Ca -0.02 -1.65 0.02 0.00 0.31 0.00 0.00 61.69 60.34 3k3w s THR 32 Cb 0.12 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3k3w s THR 32 CO 0.53 -0.03 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.84 3k3w s TYR 33 N -1.49 1.57 -0.15 4.92 5.04 0.30 -4.92 117.35 122.61 3k3w s TYR 33 Ca 0.22 -0.65 -0.15 0.00 -2.44 0.00 0.00 57.07 54.04 3k3w s TYR 33 Cb -0.09 -1.17 -0.05 0.00 0.35 0.00 0.00 41.96 41.00 3k3w s TYR 33 CO 0.13 -0.36 0.33 0.20 -1.34 0.00 0.00 175.55 174.51 3k3w s GLY 34 N 0.92 2.25 0.09 8.97 0.00 -1.26 -0.96 107.32 117.32 3k3w s GLY 34 Ca -0.09 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 3k3w s GLY 34 CO 0.01 0.52 0.24 -1.50 0.00 0.00 0.00 173.10 172.36 3k3w s ILE 35 N 0.53 0.12 -0.14 0.90 2.07 0.38 -4.97 121.20 120.10 3k3w s ILE 35 Ca 0.19 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 3k3w s ILE 35 Cb -0.13 -1.25 0.02 0.00 0.13 0.00 0.00 42.46 41.23 3k3w s ILE 35 CO 0.05 -0.56 -0.13 -0.83 -1.91 0.00 0.00 174.94 171.57 3k3w s GLY 36 N -2.74 1.05 -0.34 1.50 0.00 -1.26 -2.07 107.32 103.46 3k3w s GLY 36 Ca 0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 3k3w s GLY 36 CO -0.10 0.55 0.15 1.08 0.00 0.00 0.00 173.10 174.78 3k3w s LEU 37 N 1.48 4.37 -0.16 0.66 1.43 -0.48 -4.99 118.68 120.99 3k3w s LEU 37 Ca 0.04 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 3k3w s LEU 37 Cb -0.13 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3k3w s LEU 37 CO -0.09 -0.31 -0.11 -1.00 0.23 0.00 0.00 176.35 175.07 3k3w s HIS 38 N 1.51 2.04 0.00 0.29 3.76 -1.26 -1.25 115.29 120.38 3k3w s HIS 38 Ca 0.01 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.72 3k3w s HIS 38 Cb -0.19 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.00 3k3w s HIS 38 CO 0.05 -0.65 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 3k3w n GLY 39 N 4.80 3.93 3.80 -2.22 0.00 0.14 -5.00 105.19 110.65 3k3w n GLY 39 Ca -0.15 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3k3w n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3w n ALA 40 N -1.58 -1.42 0.00 4.61 0.00 -1.26 -1.78 120.51 119.08 3k3w n ALA 40 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3k3w n ALA 40 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 15.16 3k3w n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3w n GLY 41 N -1.73 3.07 3.74 0.00 0.00 -1.26 -5.02 105.19 103.99 3k3w n GLY 41 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3k3w n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k3w s PHE 42 N -1.82 3.67 -0.44 1.61 0.08 -0.74 -4.89 117.98 115.46 3k3w s PHE 42 Ca 0.00 1.34 0.06 0.00 0.12 0.00 0.00 56.93 58.44 3k3w s PHE 42 Cb 0.00 -2.77 0.20 0.00 -0.57 0.00 0.00 43.02 39.88 3k3w s PHE 42 CO 0.00 0.23 0.51 -3.47 -0.10 0.00 0.00 175.22 172.39 3k3w n ASP 43 N 3.13 -1.26 -4.36 1.36 -0.08 -1.20 0.25 116.55 114.38 3k3w n ASP 43 Ca -0.03 -2.65 -0.24 0.00 -1.51 0.00 0.00 54.79 50.37 3k3w n ASP 43 Cb 0.51 0.18 -0.12 0.00 2.34 0.00 0.00 41.12 44.03 3k3w n ASP 43 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3k3w s VAL 44 N 0.06 1.97 -0.06 5.18 -7.23 -0.38 -4.64 120.40 115.30 3k3w s VAL 44 Ca 0.33 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.53 3k3w s VAL 44 Cb 0.07 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 35.13 3k3w s VAL 44 CO -0.15 -0.22 0.16 0.54 -0.31 0.00 0.00 175.10 175.12 3k3w s VAL 45 N -1.82 -0.00 -5.00 1.32 0.11 -1.12 -1.38 120.40 112.50 3k3w s VAL 45 Ca 0.16 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3k3w s VAL 45 Cb -0.07 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 3k3w s VAL 45 CO 0.07 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 3k3w n GLY 46 N 3.10 -0.14 3.17 6.54 0.00 -0.88 -1.81 105.19 115.17 3k3w n GLY 46 Ca -0.14 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 3k3w n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k3w s ASN 47 N -4.00 1.56 -0.01 1.61 2.20 -0.13 -0.47 114.94 115.71 3k3w s ASN 47 Ca 0.00 -0.70 -0.05 0.00 -0.94 0.00 0.00 52.86 51.16 3k3w s ASN 47 Cb 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 41.25 39.23 3k3w s ASN 47 CO 0.00 -0.16 0.11 0.28 -2.94 0.00 0.00 177.10 174.39 3k3w s THR 48 N -1.80 0.06 0.41 0.54 -1.32 -0.14 -1.93 115.64 111.47 3k3w s THR 48 Ca 0.01 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.74 3k3w s THR 48 Cb -0.07 -0.33 -0.09 0.00 -1.51 0.00 0.00 72.50 70.50 3k3w s THR 48 CO 0.01 -0.29 1.07 -2.84 -2.21 0.00 0.00 174.62 170.37 3k3w s PRO 49 N -0.97 4.08 -1.35 7.08 0.02 -1.26 -0.54 135.00 142.06 3k3w s PRO 49 Ca -0.11 1.55 -0.03 0.00 0.02 0.00 0.00 61.00 62.43 3k3w s PRO 49 Cb -0.06 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.98 3k3w s PRO 49 CO 0.01 -0.22 0.24 1.19 -0.33 0.00 0.00 177.00 177.89 3k3w n PHE 50 N -0.19 -1.55 -3.96 6.54 3.72 -0.89 -2.52 117.46 118.62 3k3w n PHE 50 Ca 0.06 0.22 -0.30 0.00 -0.05 0.00 0.00 57.45 57.38 3k3w n PHE 50 Cb 0.49 -3.40 -0.04 0.00 -0.94 0.00 0.00 39.48 35.59 3k3w n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k3w n ALA 51 N -2.77 -1.99 -1.64 4.37 0.00 -1.22 -4.85 120.51 112.42 3k3w n ALA 51 Ca -0.13 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 3k3w n ALA 51 Cb 0.61 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.89 3k3w n ALA 51 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3k3w s TYR 52 N -3.98 2.46 0.42 0.00 2.02 -1.05 -4.91 117.35 112.31 3k3w s TYR 52 Ca 0.17 1.54 0.16 0.00 -0.37 0.00 0.00 57.07 58.57 3k3w s TYR 52 Cb -0.09 -3.36 1.04 0.00 -0.40 0.00 0.00 41.96 39.15 3k3w s TYR 52 CO 0.77 -1.99 1.89 -1.35 -1.57 0.00 0.00 175.55 173.30 3k3w h PRO 53 N 0.58 0.43 -6.64 -1.71 0.11 -1.93 -3.40 132.00 119.44 3k3w h PRO 53 Ca -0.49 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.08 3k3w h PRO 53 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k3w h PRO 53 CO 0.54 0.28 0.38 0.42 -0.21 0.00 0.00 178.00 179.42 3k3w s ILE 54 N -5.44 4.25 -0.56 4.15 1.01 -1.26 -5.03 121.20 118.32 3k3w s ILE 54 Ca -0.08 1.98 -0.19 0.00 0.00 0.00 0.00 60.65 62.36 3k3w s ILE 54 Cb 0.22 -4.27 0.09 0.00 0.01 0.00 0.00 42.46 38.51 3k3w s ILE 54 CO 0.78 0.36 0.69 0.68 0.00 0.00 0.00 174.94 177.44 3k3w s VAL 55 N -0.38 4.82 0.24 2.92 -7.23 -1.26 -4.79 120.40 114.72 3k3w s VAL 55 Ca 0.46 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 3k3w s VAL 55 Cb -0.25 -4.43 0.08 0.00 0.56 0.00 0.00 36.38 32.34 3k3w s VAL 55 CO 0.32 -1.03 1.71 -0.07 -0.31 0.00 0.00 175.10 175.72 3k3w h LEU 56 N 9.93 0.81 -7.37 1.32 4.07 -1.94 -3.40 115.31 118.73 3k3w h LEU 56 Ca -0.29 -0.23 -0.61 0.00 0.08 0.00 0.00 57.88 56.84 3k3w h LEU 56 Cb 1.09 -0.22 -0.40 0.00 1.08 0.00 0.00 40.66 42.21 3k3w h LEU 56 CO 1.06 0.91 -0.75 -0.36 -1.08 0.00 0.00 178.44 178.22 3k3w s PHE 57 N -4.88 2.44 0.17 1.13 0.08 -0.81 -4.42 117.98 111.69 3k3w s PHE 57 Ca -0.10 -2.15 -0.24 0.00 0.12 0.00 0.00 56.93 54.56 3k3w s PHE 57 Cb 0.14 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.54 3k3w s PHE 57 CO 0.82 -0.89 0.91 0.20 -0.10 0.00 0.00 175.22 176.16 3k3w s GLY 58 N 1.36 -0.22 0.11 4.36 0.00 -1.22 -0.95 107.32 110.76 3k3w s GLY 58 Ca 0.09 0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.94 3k3w s GLY 58 CO -0.18 -0.00 -0.13 -1.08 0.00 0.00 0.00 173.10 171.71 3k3w s THR 59 N -3.41 1.20 -0.10 0.90 -1.32 -0.75 -2.08 115.64 110.08 3k3w s THR 59 Ca 0.12 -1.64 0.14 0.00 -1.21 0.00 0.00 61.69 59.09 3k3w s THR 59 Cb -0.02 -1.42 0.26 0.00 -1.51 0.00 0.00 72.50 69.81 3k3w s THR 59 CO 0.03 -0.43 1.13 -0.46 -2.21 0.00 0.00 174.62 172.68 3k3w n ASN 60 N 0.64 1.47 0.00 8.08 0.23 -0.94 -2.81 115.26 121.94 3k3w n ASN 60 Ca -0.16 -2.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 3k3w n ASN 60 Cb 0.57 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3k3w n ASN 60 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3k3w n SER 61 N -0.78 -0.45 0.00 0.53 7.64 -1.26 -4.61 113.62 114.69 3k3w n SER 61 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3k3w n SER 61 Cb 0.73 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 3k3w n SER 61 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3k3w n GLU 62 N -1.88 2.06 -3.67 1.43 -0.58 -1.26 -4.83 120.64 111.91 3k3w n GLU 62 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3k3w n GLU 62 Cb 0.03 -0.77 -0.09 0.00 -0.57 0.00 0.00 31.44 30.03 3k3w n GLU 62 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3k3w s ILE 63 N -1.55 -0.07 -0.17 -3.67 1.01 -1.26 -3.91 121.20 111.58 3k3w s ILE 63 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 3k3w s ILE 63 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 3k3w s ILE 63 CO 0.00 0.03 0.10 0.00 0.00 0.00 0.00 174.94 175.07 3k3w s ALA 64 N 1.58 3.62 0.12 9.38 0.00 0.24 -2.21 121.76 134.50 3k3w s ALA 64 Ca -0.09 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3k3w s ALA 64 Cb -0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3k3w s ALA 64 CO -0.15 0.29 -0.13 1.67 0.00 0.00 0.00 175.76 177.44 3k3w s TRP 65 N -0.02 1.33 0.30 0.00 -2.14 -0.88 -0.98 118.94 116.54 3k3w s TRP 65 Ca 0.08 -0.59 -0.01 0.00 2.66 0.00 0.00 56.10 58.24 3k3w s TRP 65 Cb -0.12 -0.70 -0.02 0.00 -3.10 0.00 0.00 33.47 29.54 3k3w s TRP 65 CO 0.00 0.12 0.35 0.20 -2.66 0.00 0.00 176.95 174.96 3k3w s GLY 66 N -2.55 1.58 -0.16 3.67 0.00 -1.13 -3.42 107.32 105.31 3k3w s GLY 66 Ca 0.09 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.05 3k3w s GLY 66 CO 0.02 -1.16 0.43 0.00 0.00 0.00 0.00 173.10 172.39 3k3w s ALA 67 N -3.52 -1.07 0.33 3.20 0.00 -1.26 -1.87 121.76 117.57 3k3w s ALA 67 Ca 0.34 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.58 3k3w s ALA 67 Cb 0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3k3w s ALA 67 CO 0.19 -0.21 0.08 0.95 0.00 0.00 0.00 175.76 176.77 3k3w s THR 68 N 0.31 0.96 0.41 0.00 -4.23 -0.86 -4.73 115.64 107.51 3k3w s THR 68 Ca -0.01 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 3k3w s THR 68 Cb -0.03 -2.67 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 3k3w s THR 68 CO -0.00 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.31 3k3w n ALA 69 N -0.70 1.11 -2.58 3.99 0.00 -1.26 -1.38 120.51 119.68 3k3w n ALA 69 Ca -0.03 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 3k3w n ALA 69 Cb 0.66 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 3k3w n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k3w s GLY 70 N -0.55 1.67 -1.15 0.00 0.00 -1.22 -4.15 107.32 101.93 3k3w s GLY 70 Ca 0.61 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 3k3w s GLY 70 CO 0.58 1.70 1.80 -1.55 0.00 0.00 0.00 173.10 175.64 3k3w n PRO 71 N 6.35 4.57 -3.86 2.90 -0.05 -1.26 -4.71 135.00 138.94 3k3w n PRO 71 Ca 0.02 -4.19 -0.12 0.00 -0.05 0.00 0.00 63.50 59.17 3k3w n PRO 71 Cb 0.48 -2.61 -0.12 0.00 -0.05 0.00 0.00 33.50 31.20 3k3w n PRO 71 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 3k3w s GLN 72 N -2.25 0.23 -0.87 0.54 -0.21 -1.26 -4.77 119.66 111.07 3k3w s GLN 72 Ca 0.39 -0.04 -0.24 0.00 0.02 0.00 0.00 55.36 55.49 3k3w s GLN 72 Cb 0.12 0.10 0.06 0.00 1.00 0.00 0.00 33.01 34.28 3k3w s GLN 72 CO -0.01 -0.04 1.29 0.34 -2.12 0.00 0.00 175.29 174.75 3k3w s ASP 73 N -0.41 6.36 0.00 5.90 2.15 -1.26 -4.75 116.67 124.66 3k3w s ASP 73 Ca -0.05 -1.14 0.18 0.00 0.43 0.00 0.00 52.55 51.97 3k3w s ASP 73 Cb -0.03 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 40.06 3k3w s ASP 73 CO 0.00 -1.55 0.94 1.33 -0.17 0.00 0.00 175.17 175.72 3k3w n VAL 74 N 6.41 0.00 -4.01 1.11 0.24 -1.26 -4.71 118.33 116.10 3k3w n VAL 74 Ca 0.17 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 3k3w n VAL 74 Cb 0.49 1.22 -0.15 0.00 -1.47 0.00 0.00 33.84 33.93 3k3w n VAL 74 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3k3w s VAL 75 N -2.07 2.05 -0.11 3.34 1.01 -1.26 -1.13 120.40 122.23 3k3w s VAL 75 Ca 0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 3k3w s VAL 75 Cb 0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3k3w s VAL 75 CO 0.45 -0.30 0.07 -1.81 0.00 0.00 0.00 175.10 173.51 3k3w s ASP 76 N 1.09 5.76 -0.11 3.32 1.01 -0.91 -4.97 116.67 121.86 3k3w s ASP 76 Ca 0.00 0.27 -0.05 0.00 0.71 0.00 0.00 52.55 53.49 3k3w s ASP 76 Cb -0.19 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 3k3w s ASP 76 CO -0.07 0.37 0.07 -0.63 0.21 0.00 0.00 175.17 175.11 3k3w s ILE 77 N -0.81 4.88 -0.08 0.77 1.01 -1.26 -1.62 121.20 124.10 3k3w s ILE 77 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3k3w s ILE 77 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3k3w s ILE 77 CO 0.03 0.60 -0.17 -0.31 0.00 0.00 0.00 174.94 175.09 3k3w s TYR 78 N -0.82 2.67 -0.16 3.97 2.02 -0.82 -1.36 117.35 122.86 3k3w s TYR 78 Ca 0.13 -0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 3k3w s TYR 78 Cb -0.12 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3k3w s TYR 78 CO 0.03 -0.04 0.10 1.14 -1.57 0.00 0.00 175.55 175.21 3k3w s GLN 79 N -0.25 3.75 0.01 -0.62 -2.07 -0.66 -1.69 119.66 118.13 3k3w s GLN 79 Ca 0.01 -0.25 0.04 0.00 -1.82 0.00 0.00 55.36 53.33 3k3w s GLN 79 Cb -0.13 -3.21 -0.01 0.00 -1.09 0.00 0.00 33.01 28.57 3k3w s GLN 79 CO 0.03 0.49 -0.11 -1.21 -1.32 0.00 0.00 175.29 173.17 3k3w s GLU 80 N -0.22 0.86 -0.03 9.60 2.02 -0.94 -0.37 118.70 129.62 3k3w s GLU 80 Ca 0.09 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 3k3w s GLU 80 Cb -0.12 -0.83 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 3k3w s GLU 80 CO 0.01 0.22 1.06 -1.59 0.02 0.00 0.00 175.26 174.98 3k3w s LYS 81 N -0.58 4.46 0.01 1.61 -2.85 -1.26 -1.58 119.74 119.54 3k3w s LYS 81 Ca 0.03 1.52 -0.16 0.00 -1.00 0.00 0.00 55.97 56.35 3k3w s LYS 81 Cb -0.06 -3.48 -0.06 0.00 -2.06 0.00 0.00 37.83 32.17 3k3w s LYS 81 CO 0.00 -0.24 0.44 -0.51 0.10 0.00 0.00 175.35 175.15 3k3w s LEU 82 N 1.54 4.47 0.01 2.77 1.43 0.19 -3.65 118.68 125.44 3k3w s LEU 82 Ca 0.53 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.34 3k3w s LEU 82 Cb -0.22 -2.65 -0.08 0.00 0.03 0.00 0.00 46.19 43.27 3k3w s LEU 82 CO 0.24 0.29 1.85 0.21 0.23 0.00 0.00 176.35 179.18 3k3w s ASN 83 N -0.97 6.53 0.59 2.29 3.84 -1.03 -4.83 114.94 121.35 3k3w s ASN 83 Ca 0.25 2.52 0.29 0.00 0.21 0.00 0.00 52.86 56.13 3k3w s ASN 83 Cb -0.17 -2.53 1.61 0.00 -0.55 0.00 0.00 41.25 39.60 3k3w s ASN 83 CO 0.14 -1.01 2.04 -0.65 -2.79 0.00 0.00 177.10 174.84 3k3w h PRO 84 N 10.19 0.00 0.00 0.43 0.11 -1.95 -2.84 132.00 137.93 3k3w h PRO 84 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k3w h PRO 84 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3k3w h PRO 84 CO 0.95 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 179.50 3k3w h SER 85 N 0.00 0.00 -3.48 -2.05 0.02 -1.99 -3.43 113.55 102.62 3k3w h SER 85 Ca 0.12 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.33 3k3w h SER 85 Cb 0.67 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.93 3k3w h SER 85 CO -0.00 0.26 -0.25 0.00 -1.14 0.00 0.00 176.83 175.69 3k3w s ARG 86 N -1.28 2.82 0.22 3.45 1.70 -1.09 -4.93 118.95 119.85 3k3w s ARG 86 Ca -0.00 -2.00 0.19 0.00 -0.47 0.00 0.00 55.73 53.44 3k3w s ARG 86 Cb 0.00 -4.08 0.89 0.00 -0.57 0.00 0.00 34.95 31.19 3k3w s ARG 86 CO 0.00 -1.24 1.57 0.00 -1.08 0.00 0.00 175.30 174.55 3k3w n ALA 87 N 4.59 1.33 -0.63 7.88 0.00 -1.13 -1.93 120.51 130.63 3k3w n ALA 87 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3k3w n ALA 87 Cb 0.41 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.85 3k3w n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k3w n ASP 88 N -2.07 4.52 -3.68 0.00 3.85 -1.26 -4.81 116.55 113.10 3k3w n ASP 88 Ca 0.01 -2.92 -0.23 0.00 -0.71 0.00 0.00 54.79 50.94 3k3w n ASP 88 Cb 0.12 -0.69 -0.18 0.00 -1.35 0.00 0.00 41.12 39.02 3k3w n ASP 88 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 3k3w s GLN 89 N -2.51 0.13 0.00 0.11 0.74 -0.81 -2.34 119.66 114.97 3k3w s GLN 89 Ca 0.45 0.16 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3k3w s GLN 89 Cb 0.36 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 33.42 3k3w s GLN 89 CO 0.12 -0.43 0.00 2.48 -0.55 0.00 0.00 175.29 176.90 3k3w n TYR 90 N 5.25 0.00 -3.60 1.67 0.18 -0.26 -2.47 117.16 117.93 3k3w n TYR 90 Ca -0.05 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.54 3k3w n TYR 90 Cb 0.50 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.31 3k3w n TYR 90 CO 0.00 0.00 0.00 -0.46 -2.08 0.00 0.00 176.86 174.32 3k3w s TRP 91 N 1.35 -0.13 -0.02 -3.48 -0.11 -1.24 -1.19 118.94 114.12 3k3w s TRP 91 Ca 0.00 0.29 -0.03 0.00 1.22 0.00 0.00 56.10 57.58 3k3w s TRP 91 Cb 0.00 -0.39 -0.01 0.00 -1.50 0.00 0.00 33.47 31.57 3k3w s TRP 91 CO 0.00 -0.43 -0.06 0.34 -4.62 0.00 0.00 176.95 172.18 3k3w n PHE 92 N 5.31 0.00 0.00 5.86 7.35 -1.24 -4.04 117.46 130.70 3k3w n PHE 92 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3k3w n PHE 92 Cb 0.50 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.24 3k3w n PHE 92 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3k3w n ASN 93 N -2.92 0.00 -1.04 -2.13 5.15 -1.26 -2.80 115.26 110.26 3k3w n ASN 93 Ca -0.02 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.04 3k3w n ASN 93 Cb 0.09 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.59 3k3w n ASN 93 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3k3w n ASN 94 N 0.00 3.72 -2.16 1.20 5.15 -1.26 -5.03 115.26 116.88 3k3w n ASN 94 Ca 0.00 -2.28 -0.09 0.00 -0.60 0.00 0.00 54.58 51.61 3k3w n ASN 94 Cb 0.00 -0.41 -0.03 0.00 -0.53 0.00 0.00 39.78 38.81 3k3w n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k3w n ALA 95 N 0.69 0.28 -1.70 5.20 0.00 -1.26 -5.11 120.51 118.60 3k3w n ALA 95 Ca 0.19 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 3k3w n ALA 95 Cb 0.65 0.63 -0.03 0.00 0.00 0.00 0.00 19.45 20.71 3k3w n ALA 95 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3k3w n TRP 96 N -0.32 2.69 -4.89 0.00 7.02 -1.26 -3.69 117.44 116.99 3k3w n TRP 96 Ca 0.01 -0.05 -0.33 0.00 -1.02 0.00 0.00 57.50 56.12 3k3w n TRP 96 Cb 0.26 -2.70 -0.14 0.00 -2.42 0.00 0.00 31.31 26.30 3k3w n TRP 96 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k3w s ARG 97 N 1.88 2.89 0.11 -0.99 1.81 -0.33 -4.96 118.95 119.36 3k3w s ARG 97 Ca 0.78 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.77 3k3w s ARG 97 Cb -0.50 -2.46 -0.06 0.00 -0.45 0.00 0.00 34.95 31.48 3k3w s ARG 97 CO 0.35 0.42 1.11 0.95 -0.68 0.00 0.00 175.30 177.44 3k3w s THR 98 N -0.19 4.09 0.19 0.02 -4.23 -1.26 -1.10 115.64 113.15 3k3w s THR 98 Ca -0.00 1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 61.86 3k3w s THR 98 Cb -0.13 -4.06 -0.08 0.00 1.34 0.00 0.00 72.50 69.57 3k3w s THR 98 CO 0.03 0.21 1.10 -0.04 -0.54 0.00 0.00 174.62 175.38 3k3w s MET 99 N 0.29 4.60 0.63 3.99 -1.94 -0.99 -4.90 119.30 120.99 3k3w s MET 99 Ca 0.53 1.73 -0.15 0.00 -1.71 0.00 0.00 55.69 56.08 3k3w s MET 99 Cb -0.28 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 3k3w s MET 99 CO 0.32 0.10 1.07 -1.21 -0.01 0.00 0.00 175.02 175.29 3k3w s GLU 100 N -0.52 3.11 -0.06 2.03 2.02 -1.08 -4.95 118.70 119.25 3k3w s GLU 100 Ca 0.49 1.23 -0.03 0.00 0.02 0.00 0.00 54.97 56.68 3k3w s GLU 100 Cb -0.30 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 31.97 3k3w s GLU 100 CO 0.36 -0.99 0.13 1.14 0.02 0.00 0.00 175.26 175.92 3k3w s GLN 101 N -4.19 0.09 -0.06 1.61 -2.07 -1.26 -2.82 119.66 110.96 3k3w s GLN 101 Ca 0.64 0.33 0.02 0.00 -1.82 0.00 0.00 55.36 54.53 3k3w s GLN 101 Cb -0.17 -0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.61 3k3w s GLN 101 CO 0.40 -0.15 -0.12 -0.98 -1.32 0.00 0.00 175.29 173.13 3k3w s ARG 102 N 1.01 1.64 -0.05 9.60 1.70 -1.05 -5.02 118.95 126.79 3k3w s ARG 102 Ca -0.08 -0.39 -0.07 0.00 -0.47 0.00 0.00 55.73 54.72 3k3w s ARG 102 Cb -0.10 -1.37 -0.04 0.00 -0.57 0.00 0.00 34.95 32.87 3k3w s ARG 102 CO -0.05 0.02 0.20 -1.59 -1.08 0.00 0.00 175.30 172.81 3k3w s LYS 103 N 0.67 3.51 0.06 3.89 0.00 -1.26 -1.06 119.74 125.57 3k3w s LYS 103 Ca -0.14 -0.11 0.08 0.00 0.00 0.00 0.00 55.97 55.79 3k3w s LYS 103 Cb -0.16 -3.14 -0.03 0.00 0.00 0.00 0.00 37.83 34.50 3k3w s LYS 103 CO 0.04 0.72 -0.22 -2.00 0.00 0.00 0.00 175.35 173.88 3k3w s GLU 104 N -1.43 1.36 -0.22 1.78 2.56 -0.34 -5.00 118.70 117.41 3k3w s GLU 104 Ca 0.22 -1.04 -0.05 0.00 0.00 0.00 0.00 54.97 54.10 3k3w s GLU 104 Cb -0.13 -1.55 -0.02 0.00 2.00 0.00 0.00 34.13 34.44 3k3w s GLU 104 CO 0.11 0.38 -0.01 1.03 -0.56 0.00 0.00 175.26 176.22 3k3w s ARG 105 N -1.43 3.50 -0.29 4.30 1.81 -1.26 -2.09 118.95 123.48 3k3w s ARG 105 Ca 0.08 -0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 53.49 3k3w s ARG 105 Cb -0.09 -3.10 0.04 0.00 -0.45 0.00 0.00 34.95 31.34 3k3w s ARG 105 CO 0.03 -0.15 0.01 0.42 -0.68 0.00 0.00 175.30 174.93 3k3w s ILE 106 N 1.41 3.21 0.16 1.52 1.01 -0.78 -5.03 121.20 122.71 3k3w s ILE 106 Ca 0.05 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 3k3w s ILE 106 Cb -0.15 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 3k3w s ILE 106 CO -0.00 -0.02 1.07 -1.10 0.00 0.00 0.00 174.94 174.89 3k3w s GLN 107 N 1.33 4.62 -0.05 2.79 -0.21 -1.26 -1.96 119.66 124.92 3k3w s GLN 107 Ca -0.02 1.65 0.05 0.00 0.02 0.00 0.00 55.36 57.06 3k3w s GLN 107 Cb -0.19 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.51 3k3w s GLN 107 CO -0.01 0.11 -0.21 0.08 -2.12 0.00 0.00 175.29 173.14 3k3w s VAL 108 N -0.17 1.70 -0.05 1.09 1.01 -1.26 -4.98 120.40 117.74 3k3w s VAL 108 Ca 0.49 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3k3w s VAL 108 Cb -0.28 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3k3w s VAL 108 CO 0.33 0.48 1.16 -0.60 0.00 0.00 0.00 175.10 176.48 3k3w s ARG 109 N -0.09 4.38 0.00 2.72 3.52 -1.26 -3.41 118.95 124.82 3k3w s ARG 109 Ca -0.03 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 3k3w s ARG 109 Cb -0.12 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 3k3w s ARG 109 CO 0.03 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 3k3w n GLY 110 N 3.29 3.06 3.49 8.12 0.00 -1.26 -4.99 105.19 116.90 3k3w n GLY 110 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3k3w n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k3w s GLN 111 N -0.25 1.69 0.68 1.61 -0.21 -1.22 -5.14 119.66 116.82 3k3w s GLN 111 Ca 0.00 -1.86 -0.15 0.00 0.02 0.00 0.00 55.36 53.38 3k3w s GLN 111 Cb 0.00 -1.48 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3k3w s GLN 111 CO 0.00 0.12 1.12 0.00 -2.12 0.00 0.00 175.29 174.41 3k3w s ALA 112 N -2.77 2.39 0.30 6.09 0.00 -1.26 -4.28 121.76 122.23 3k3w s ALA 112 Ca 0.31 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 3k3w s ALA 112 Cb 0.02 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3k3w s ALA 112 CO 0.14 -1.41 1.35 -0.51 0.00 0.00 0.00 175.76 175.33 3k3w s ASP 113 N -2.54 6.74 -0.13 0.00 1.11 -1.26 -4.58 116.67 116.01 3k3w s ASP 113 Ca 0.68 2.66 -0.05 0.00 0.18 0.00 0.00 52.55 56.02 3k3w s ASP 113 Cb -0.22 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.10 3k3w s ASP 113 CO 0.43 -0.59 0.06 -0.13 1.18 0.00 0.00 175.17 176.12 3k3w s ARG 114 N -1.23 3.50 -0.13 8.23 0.52 -0.83 -4.95 118.95 124.05 3k3w s ARG 114 Ca 0.53 -0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 3k3w s ARG 114 Cb -0.40 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 3k3w s ARG 114 CO 0.49 0.55 -0.02 -2.00 0.02 0.00 0.00 175.30 174.34 3k3w s GLU 115 N -0.41 3.43 0.31 3.54 2.12 -1.26 -1.86 118.70 124.58 3k3w s GLU 115 Ca 0.09 -0.48 0.09 0.00 0.36 0.00 0.00 54.97 55.03 3k3w s GLU 115 Cb -0.12 -2.88 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 3k3w s GLU 115 CO 0.02 0.41 -0.09 0.00 -0.54 0.00 0.00 175.26 175.05 3k3w s MET 116 N -0.08 1.71 -0.08 4.30 0.23 -0.89 -5.00 119.30 119.50 3k3w s MET 116 Ca 0.03 -1.87 0.03 0.00 -1.03 0.00 0.00 55.69 52.85 3k3w s MET 116 Cb -0.13 -1.52 0.01 0.00 -1.53 0.00 0.00 34.83 31.66 3k3w s MET 116 CO 0.02 0.12 -0.17 -0.08 -2.03 0.00 0.00 175.02 172.89 3k3w s THR 117 N -2.74 1.51 -0.23 3.16 -1.32 -1.26 -1.20 115.64 113.55 3k3w s THR 117 Ca 0.31 -0.70 -0.07 0.00 -1.21 0.00 0.00 61.69 60.02 3k3w s THR 117 Cb 0.02 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.64 3k3w s THR 117 CO 0.15 0.44 0.07 -0.63 -2.21 0.00 0.00 174.62 172.43 3k3w s ILE 118 N 0.51 4.42 0.06 5.08 1.01 -0.22 -5.00 121.20 127.06 3k3w s ILE 118 Ca -0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 3k3w s ILE 118 Cb -0.16 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 3k3w s ILE 118 CO 0.06 0.36 0.43 0.26 0.00 0.00 0.00 174.94 176.05 3k3w s TRP 119 N 1.35 3.65 -0.06 3.97 0.52 -1.26 -2.51 118.94 124.60 3k3w s TRP 119 Ca 0.05 0.93 -0.02 0.00 0.02 0.00 0.00 56.10 57.08 3k3w s TRP 119 Cb -0.15 -2.26 0.04 0.00 -1.15 0.00 0.00 33.47 29.95 3k3w s TRP 119 CO 0.04 0.55 0.12 0.50 0.02 0.00 0.00 176.95 178.18 3k3w s ARG 120 N -1.58 0.07 0.49 4.98 3.52 -1.13 0.75 118.95 126.05 3k3w s ARG 120 Ca 0.30 0.33 0.06 0.00 -0.13 0.00 0.00 55.73 56.30 3k3w s ARG 120 Cb -0.15 -0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.11 3k3w s ARG 120 CO 0.16 -0.17 0.53 2.41 -0.81 0.00 0.00 175.30 177.43 3k3w n THR 121 N 4.20 0.00 -0.21 4.11 -1.04 0.34 -2.64 114.28 119.04 3k3w n THR 121 Ca -0.27 -1.77 0.30 0.00 -2.04 0.00 0.00 64.05 60.26 3k3w n THR 121 Cb 0.51 -0.35 0.72 0.00 -1.82 0.00 0.00 70.33 69.40 3k3w n THR 121 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3k3w h VAL 122 N 0.35 0.53 0.00 12.58 3.04 -2.00 -1.70 116.25 129.04 3k3w h VAL 122 Ca -0.27 -0.01 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 3k3w h VAL 122 Cb 1.09 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 3k3w h VAL 122 CO 0.40 0.00 -0.32 0.45 -1.01 0.00 0.00 177.57 177.09 3k3w h HIS 123 N 0.02 0.00 0.00 3.17 3.86 -1.93 -3.51 115.15 116.76 3k3w h HIS 123 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3k3w h HIS 123 Cb 1.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.27 3k3w h HIS 123 CO -0.00 1.00 0.00 0.41 0.86 0.00 0.00 177.93 180.20 3k3w n GLY 124 N 1.58 -0.68 3.75 2.45 0.00 -0.64 -4.40 105.19 107.26 3k3w n GLY 124 Ca -0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3k3w n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k3w s PRO 125 N -0.67 4.32 -0.32 1.61 0.04 -1.23 0.13 135.00 138.88 3k3w s PRO 125 Ca 0.00 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 3k3w s PRO 125 Cb 0.00 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.43 3k3w s PRO 125 CO 0.00 -0.31 1.31 0.08 0.04 0.00 0.00 177.00 178.12 3k3w s VAL 126 N -0.40 4.11 -0.01 -0.36 1.01 0.23 -0.61 120.40 124.36 3k3w s VAL 126 Ca 0.55 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 3k3w s VAL 126 Cb -0.40 -4.17 -0.29 0.00 0.00 0.00 0.00 36.38 31.52 3k3w s VAL 126 CO 0.46 -0.52 0.81 0.24 0.00 0.00 0.00 175.10 176.09 3k3w h MET 127 N 9.48 0.30 -4.00 2.72 2.86 -0.93 -3.43 114.93 121.92 3k3w h MET 127 Ca -0.26 -0.51 -0.31 0.00 -2.06 0.00 0.00 59.70 56.56 3k3w h MET 127 Cb 1.10 0.19 -0.30 0.00 0.06 0.00 0.00 31.60 32.65 3k3w h MET 127 CO 1.04 1.18 -0.74 -1.14 1.06 0.00 0.00 176.91 178.31 3k3w s GLN 128 N -2.61 0.30 -0.18 1.72 0.74 -1.14 -5.03 119.66 113.47 3k3w s GLN 128 Ca -0.11 -0.07 -0.05 0.00 0.05 0.00 0.00 55.36 55.18 3k3w s GLN 128 Cb 0.06 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.81 3k3w s GLN 128 CO 0.86 0.02 -0.00 -0.06 -0.55 0.00 0.00 175.29 175.55 3k3w s PHE 129 N 0.22 3.08 -0.30 1.67 0.08 -1.26 -1.31 117.98 120.15 3k3w s PHE 129 Ca -0.02 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.79 3k3w s PHE 129 Cb -0.05 -2.03 0.09 0.00 -0.57 0.00 0.00 43.02 40.46 3k3w s PHE 129 CO -0.00 -0.07 0.01 0.34 -0.10 0.00 0.00 175.22 175.40 3k3w s ASP 130 N 0.59 4.46 0.00 1.36 -1.08 -0.49 -5.02 116.67 116.50 3k3w s ASP 130 Ca -0.01 -1.79 -0.20 0.00 -0.52 0.00 0.00 52.55 50.03 3k3w s ASP 130 Cb -0.14 -1.43 -0.24 0.00 -1.46 0.00 0.00 42.92 39.65 3k3w s ASP 130 CO 0.02 -0.33 1.09 1.88 0.52 0.00 0.00 175.17 178.35 3k3w h TYR 131 N 7.76 0.59 0.00 -5.34 0.05 -1.96 -0.88 116.97 117.20 3k3w h TYR 131 Ca -0.10 -0.33 -0.10 0.00 0.05 0.00 0.00 58.73 58.25 3k3w h TYR 131 Cb 1.03 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 3k3w h TYR 131 CO 0.48 1.15 -0.48 0.38 -1.05 0.00 0.00 178.16 178.64 3k3w h ASP 132 N -0.13 0.00 1.05 3.88 3.04 -1.95 -2.05 116.42 120.27 3k3w h ASP 132 Ca -0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 3k3w h ASP 132 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 3k3w h ASP 132 CO 0.12 0.48 -0.42 0.00 -2.04 0.00 0.00 179.24 177.38 3k3w n GLN 133 N -3.69 0.27 -3.11 4.15 6.02 -1.25 -4.97 117.38 114.80 3k3w n GLN 133 Ca -0.01 0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 56.97 3k3w n GLN 133 Cb 0.55 -1.72 0.04 0.00 1.02 0.00 0.00 30.24 30.13 3k3w n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k3w n GLY 134 N 1.33 0.12 2.92 1.08 0.00 -0.77 -4.97 105.19 104.90 3k3w n GLY 134 Ca 0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3k3w n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3w s ALA 135 N -3.18 -0.16 -0.03 4.61 0.00 -0.38 -0.64 121.76 121.99 3k3w s ALA 135 Ca 0.33 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.64 3k3w s ALA 135 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3k3w s ALA 135 CO 0.41 -0.06 -0.25 0.00 0.00 0.00 0.00 175.76 175.85 3k3w s ALA 136 N 0.30 2.14 -0.23 0.00 0.00 -0.62 -1.39 121.76 121.96 3k3w s ALA 136 Ca -0.02 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 3k3w s ALA 136 Cb -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3k3w s ALA 136 CO -0.01 0.50 0.05 0.71 0.00 0.00 0.00 175.76 177.01 3k3w s TYR 137 N -0.50 3.09 0.14 0.00 2.02 -0.43 -2.22 117.35 119.46 3k3w s TYR 137 Ca 0.07 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.46 3k3w s TYR 137 Cb -0.11 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3k3w s TYR 137 CO 0.00 -0.27 0.01 -1.54 -1.57 0.00 0.00 175.55 172.18 3k3w s SER 138 N 1.31 4.91 -0.26 2.29 1.04 -0.68 -0.25 113.70 122.06 3k3w s SER 138 Ca 0.05 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.12 3k3w s SER 138 Cb -0.15 -1.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.86 3k3w s SER 138 CO 0.03 0.12 0.04 -0.75 0.98 0.00 0.00 173.24 173.66 3k3w s LYS 139 N -2.71 3.35 -0.18 4.02 2.20 0.22 -1.94 119.74 124.69 3k3w s LYS 139 Ca 0.27 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 3k3w s LYS 139 Cb -0.10 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 3k3w s LYS 139 CO 0.19 -0.29 -0.04 0.21 -0.36 0.00 0.00 175.35 175.05 3k3w s LYS 140 N 1.53 3.54 -0.03 4.03 2.20 -0.64 -3.47 119.74 126.91 3k3w s LYS 140 Ca 0.05 -0.57 -0.00 0.00 -0.36 0.00 0.00 55.97 55.08 3k3w s LYS 140 Cb -0.16 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 3k3w s LYS 140 CO 0.01 0.06 0.03 1.03 -0.36 0.00 0.00 175.35 176.12 3k3w s ARG 141 N 0.84 2.95 0.33 4.03 0.52 -1.26 -2.15 118.95 124.21 3k3w s ARG 141 Ca -0.01 -0.50 0.20 0.00 -0.52 0.00 0.00 55.73 54.90 3k3w s ARG 141 Cb -0.15 -2.78 0.17 0.00 0.52 0.00 0.00 34.95 32.71 3k3w s ARG 141 CO 0.02 0.66 1.43 1.03 0.02 0.00 0.00 175.30 178.45 3k3w h SER 142 N 4.48 0.00 -0.40 0.23 0.87 -1.44 -3.29 113.55 114.00 3k3w h SER 142 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3k3w h SER 142 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3k3w h SER 142 CO 0.58 0.22 0.00 -2.67 -0.53 0.00 0.00 176.83 174.43 3k3w n TRP 143 N -3.08 0.52 -1.84 2.24 4.27 -1.26 -4.90 117.44 113.39 3k3w n TRP 143 Ca 0.02 -0.26 -0.42 0.00 -3.89 0.00 0.00 57.50 52.95 3k3w n TRP 143 Cb 0.63 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.55 3k3w n TRP 143 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3k3w s ASP 144 N -1.42 6.55 0.00 -0.67 2.15 -1.24 -1.65 116.67 120.39 3k3w s ASP 144 Ca 0.39 2.51 0.00 0.00 0.43 0.00 0.00 52.55 55.88 3k3w s ASP 144 Cb 0.22 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3k3w s ASP 144 CO 0.31 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 3k3w n GLY 145 N 4.23 0.68 0.72 2.66 0.00 -1.26 -4.92 105.19 107.30 3k3w n GLY 145 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3k3w n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k3w n TYR 146 N -2.05 0.00 0.16 1.61 4.01 -0.66 -4.86 117.16 115.37 3k3w n TYR 146 Ca 0.00 -0.99 -0.13 0.00 -0.16 0.00 0.00 57.90 56.62 3k3w n TYR 146 Cb 0.00 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 38.77 3k3w n TYR 146 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3k3w h GLU 147 N 0.71 -0.42 0.00 -0.72 3.07 -1.92 -2.35 114.58 112.95 3k3w h GLU 147 Ca -0.06 0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 3k3w h GLU 147 Cb 1.28 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 3k3w h GLU 147 CO 0.03 -0.10 -0.33 -0.39 -1.40 0.00 0.00 179.01 176.82 3k3w h VAL 148 N -0.81 1.01 -0.31 3.13 -1.51 -1.95 -1.87 116.25 113.94 3k3w h VAL 148 Ca -0.04 -1.21 -0.10 0.00 -1.23 0.00 0.00 66.70 64.11 3k3w h VAL 148 Cb 0.52 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 3k3w h VAL 148 CO 0.07 0.32 -0.24 -0.61 -1.23 0.00 0.00 177.57 175.89 3k3w h GLN 149 N 0.00 0.59 -0.17 5.19 4.15 -1.91 -2.56 115.11 120.40 3k3w h GLN 149 Ca -0.00 -0.23 -0.17 0.00 0.77 0.00 0.00 58.65 59.02 3k3w h GLN 149 Cb 0.67 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3k3w h GLN 149 CO 0.04 0.78 -0.58 0.77 -1.93 0.00 0.00 178.83 177.91 3k3w h SER 150 N 0.52 0.62 0.51 -0.69 0.02 -0.80 -2.00 113.55 111.73 3k3w h SER 150 Ca 0.08 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3k3w h SER 150 Cb 0.69 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3k3w h SER 150 CO 0.05 1.06 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.49 3k3w h LEU 151 N 0.42 -0.60 -0.67 5.07 4.07 -1.26 -1.87 115.31 120.48 3k3w h LEU 151 Ca 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 3k3w h LEU 151 Cb 1.13 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 43.00 3k3w h LEU 151 CO 0.11 -0.42 0.23 -0.07 -1.08 0.00 0.00 178.44 177.21 3k3w h LEU 152 N -0.69 0.96 -0.87 1.67 3.38 -1.50 0.23 115.31 118.48 3k3w h LEU 152 Ca -0.07 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3k3w h LEU 152 Cb 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3k3w h LEU 152 CO 0.11 0.90 0.37 0.00 0.09 0.00 0.00 178.44 179.91 3k3w h ALA 153 N 1.10 1.11 -0.40 1.53 0.00 -1.39 0.21 119.26 121.41 3k3w h ALA 153 Ca 0.22 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3k3w h ALA 153 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k3w h ALA 153 CO -0.01 0.66 -0.34 2.35 0.00 0.00 0.00 179.25 181.91 3k3w h TRP 154 N 1.17 1.10 -0.13 0.00 2.91 -0.98 -3.19 115.95 116.83 3k3w h TRP 154 Ca 0.28 -0.31 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 3k3w h TRP 154 Cb 0.15 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 3k3w h TRP 154 CO 0.02 1.13 -0.28 1.25 -1.03 0.00 0.00 178.44 179.52 3k3w h LEU 155 N 0.77 0.24 -0.64 0.65 7.12 0.03 -3.09 115.31 120.39 3k3w h LEU 155 Ca 0.07 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3k3w h LEU 155 Cb 0.92 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 3k3w h LEU 155 CO 0.09 0.53 0.00 0.59 -0.13 0.00 0.00 178.44 179.51 3k3w n ASN 156 N -4.14 0.96 0.15 1.25 3.02 0.67 -3.18 115.26 114.00 3k3w n ASN 156 Ca -0.01 -1.73 0.13 0.00 -0.03 0.00 0.00 54.58 52.94 3k3w n ASN 156 Cb 0.38 -0.08 0.49 0.00 -0.61 0.00 0.00 39.78 39.96 3k3w n ASN 156 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3k3w h VAL 157 N 1.18 0.00 -0.31 2.41 -1.51 -1.61 -2.61 116.25 113.80 3k3w h VAL 157 Ca 0.00 -0.35 -0.10 0.00 -1.23 0.00 0.00 66.70 65.02 3k3w h VAL 157 Cb 0.26 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3k3w h VAL 157 CO 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 177.57 176.13 3k3w h ALA 158 N 2.28 1.04 0.00 5.19 0.00 -1.79 -3.03 119.26 122.95 3k3w h ALA 158 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3k3w h ALA 158 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3k3w h ALA 158 CO 0.00 0.58 -0.52 0.87 0.00 0.00 0.00 179.25 180.18 3k3w h LYS 159 N 0.53 0.00 -6.80 0.00 1.57 -1.71 -3.44 116.57 106.71 3k3w h LYS 159 Ca 0.08 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.31 3k3w h LYS 159 Cb 0.66 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.06 3k3w h LYS 159 CO 0.05 0.52 0.77 0.00 -0.57 0.00 0.00 179.45 180.21 3k3w n ALA 160 N -2.28 2.14 -0.02 3.86 0.00 -1.15 -4.93 120.51 118.14 3k3w n ALA 160 Ca 0.01 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.81 3k3w n ALA 160 Cb 0.66 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 3k3w n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k3w n ARG 161 N 1.44 2.01 -3.51 0.00 1.74 -1.26 -4.70 116.66 112.37 3k3w n ARG 161 Ca 0.06 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 3k3w n ARG 161 Cb 0.37 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 3k3w n ARG 161 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3k3w n ASN 162 N -1.99 0.66 -0.06 0.55 0.23 -1.26 -4.71 115.26 108.67 3k3w n ASN 162 Ca -0.05 -2.40 -0.15 0.00 -0.53 0.00 0.00 54.58 51.45 3k3w n ASN 162 Cb 0.46 0.79 -0.06 0.00 -2.08 0.00 0.00 39.78 38.88 3k3w n ASN 162 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3k3w h TRP 163 N 1.51 0.78 0.00 -2.53 2.91 -1.98 -3.17 115.95 113.47 3k3w h TRP 163 Ca -0.19 -0.29 -0.06 0.00 1.13 0.00 0.00 58.89 59.49 3k3w h TRP 163 Cb 0.78 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 3k3w h TRP 163 CO 0.00 1.04 -0.27 0.00 -1.03 0.00 0.00 178.44 178.19 3k3w h THR 164 N 0.30 0.87 0.00 2.65 1.03 -2.01 -1.84 112.91 113.91 3k3w h THR 164 Ca 0.01 -1.04 -0.11 0.00 -0.01 0.00 0.00 66.41 65.26 3k3w h THR 164 Cb 1.01 1.62 -0.02 0.00 -1.07 0.00 0.00 68.15 69.69 3k3w h THR 164 CO 0.09 0.26 -0.50 -0.33 -0.01 0.00 0.00 175.52 175.03 3k3w h GLU 165 N 0.00 0.00 -0.52 0.00 5.08 -1.99 -3.17 114.58 113.98 3k3w h GLU 165 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3k3w h GLU 165 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3k3w h GLU 165 CO 0.03 0.50 -0.13 0.35 -1.00 0.00 0.00 179.01 178.77 3k3w h PHE 166 N 0.00 1.12 0.00 4.33 3.57 -1.30 -2.68 116.94 121.98 3k3w h PHE 166 Ca -0.01 -0.24 -0.15 0.00 3.53 0.00 0.00 57.97 61.11 3k3w h PHE 166 Cb 1.25 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 3k3w h PHE 166 CO 0.00 1.06 -0.70 -0.07 -2.23 0.00 0.00 178.31 176.37 3k3w h LEU 167 N 0.86 0.00 -2.39 0.59 4.07 -1.64 0.21 115.31 117.02 3k3w h LEU 167 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3k3w h LEU 167 Cb 0.70 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.44 3k3w h LEU 167 CO 0.05 0.70 -0.03 -0.78 -1.08 0.00 0.00 178.44 177.30 3k3w h ASP 168 N 0.00 0.00 0.00 -0.43 3.58 -1.47 0.22 116.42 118.32 3k3w h ASP 168 Ca -0.01 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 3k3w h ASP 168 Cb 1.30 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.30 3k3w h ASP 168 CO 0.09 0.03 -2.23 1.67 -2.88 0.00 0.00 179.24 175.92 3k3w n GLN 169 N -3.59 0.89 0.16 0.28 -0.06 -1.03 -4.39 117.38 109.64 3k3w n GLN 169 Ca -0.03 -0.03 0.02 0.00 -2.00 0.00 0.00 57.00 54.96 3k3w n GLN 169 Cb 0.13 -1.48 0.27 0.00 -4.06 0.00 0.00 30.24 25.10 3k3w n GLN 169 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3k3w h ALA 170 N 1.06 1.08 -0.21 1.69 0.00 -0.50 -3.18 119.26 119.20 3k3w h ALA 170 Ca -0.44 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 3k3w h ALA 170 Cb 1.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3k3w h ALA 170 CO 0.02 0.61 -0.07 1.03 0.00 0.00 0.00 179.25 180.85 3k3w h SER 171 N 0.00 0.31 1.06 0.00 0.87 -1.17 -2.55 113.55 112.07 3k3w h SER 171 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3k3w h SER 171 Cb 0.93 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3k3w h SER 171 CO 0.06 0.42 0.00 0.11 -0.53 0.00 0.00 176.83 176.90 3k3w h LYS 172 N 0.32 0.00 -6.70 2.24 1.57 -1.78 -3.45 116.57 108.77 3k3w h LYS 172 Ca 0.07 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.32 3k3w h LYS 172 Cb 0.33 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.68 3k3w h LYS 172 CO 0.02 0.00 0.70 -1.64 -0.57 0.00 0.00 179.45 177.95 3k3w s MET 173 N -3.41 4.34 -0.07 3.15 -1.94 -0.96 -4.54 119.30 115.87 3k3w s MET 173 Ca 0.04 2.15 0.09 0.00 -1.71 0.00 0.00 55.69 56.26 3k3w s MET 173 Cb 0.09 -3.16 -0.13 0.00 2.01 0.00 0.00 34.83 33.64 3k3w s MET 173 CO 0.50 -0.32 0.08 0.00 -0.01 0.00 0.00 175.02 175.27 3k3w n ALA 174 N 2.58 1.92 -1.83 3.03 0.00 -1.26 -4.09 120.51 120.86 3k3w n ALA 174 Ca 0.07 -0.53 -0.32 0.00 0.00 0.00 0.00 53.44 52.65 3k3w n ALA 174 Cb 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3k3w n ALA 174 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k3w s ILE 175 N -2.35 4.48 -0.25 0.00 -4.36 -1.26 -1.71 121.20 115.75 3k3w s ILE 175 Ca -0.04 1.15 -0.27 0.00 -0.26 0.00 0.00 60.65 61.22 3k3w s ILE 175 Cb 0.04 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 40.05 3k3w s ILE 175 CO 0.40 -0.71 0.97 -0.55 0.24 0.00 0.00 174.94 175.28 3k3w s SER 176 N -3.15 6.97 -0.23 4.36 0.15 -1.26 -4.05 113.70 116.49 3k3w s SER 176 Ca 0.59 1.19 -0.20 0.00 0.70 0.00 0.00 55.95 58.23 3k3w s SER 176 Cb -0.11 -2.50 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 3k3w s SER 176 CO 0.34 -0.66 0.61 -0.51 1.20 0.00 0.00 173.24 174.23 3k3w s ILE 177 N 3.15 -0.00 -0.25 6.45 1.10 -1.18 -3.39 121.20 127.08 3k3w s ILE 177 Ca 0.41 0.01 -0.22 0.00 -0.51 0.00 0.00 60.65 60.34 3k3w s ILE 177 Cb -0.15 -0.86 -0.01 0.00 0.15 0.00 0.00 42.46 41.59 3k3w s ILE 177 CO 0.08 0.00 0.71 0.20 -2.11 0.00 0.00 174.94 173.82 3k3w s ASN 178 N 0.57 6.67 -0.06 4.50 0.01 -0.48 -3.21 114.94 122.94 3k3w s ASN 178 Ca -0.02 0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 52.95 3k3w s ASN 178 Cb -0.05 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 3k3w s ASN 178 CO -0.03 -0.44 -0.02 0.26 -1.51 0.00 0.00 177.10 175.37 3k3w s TRP 179 N 2.65 3.08 -0.01 2.20 0.52 0.24 -2.02 118.94 125.60 3k3w s TRP 179 Ca 0.30 0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.59 3k3w s TRP 179 Cb -0.15 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3k3w s TRP 179 CO 0.08 0.43 -0.17 0.71 0.02 0.00 0.00 176.95 178.02 3k3w s TYR 180 N -0.91 1.56 -0.02 -1.98 2.02 -0.78 -0.34 117.35 116.89 3k3w s TYR 180 Ca 0.15 -0.30 0.07 0.00 -0.37 0.00 0.00 57.07 56.61 3k3w s TYR 180 Cb -0.11 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3k3w s TYR 180 CO 0.04 -0.01 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.32 3k3w s TYR 181 N -0.47 2.47 -0.17 2.71 5.04 0.90 -2.82 117.35 125.02 3k3w s TYR 181 Ca 0.06 -0.33 -0.14 0.00 -2.44 0.00 0.00 57.07 54.22 3k3w s TYR 181 Cb -0.07 -1.53 0.05 0.00 0.35 0.00 0.00 41.96 40.76 3k3w s TYR 181 CO -0.00 0.08 0.43 0.00 -1.34 0.00 0.00 175.55 174.72 3k3w s ALA 182 N -0.70 -1.08 0.43 3.97 0.00 -0.16 -1.53 121.76 122.69 3k3w s ALA 182 Ca 0.11 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.41 3k3w s ALA 182 Cb -0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 3k3w s ALA 182 CO 0.00 -0.22 0.15 0.16 0.00 0.00 0.00 175.76 175.86 3k3w s ASP 183 N 0.43 2.90 0.49 0.00 1.47 -0.79 0.80 116.67 121.98 3k3w s ASP 183 Ca -0.02 -1.75 0.29 0.00 1.18 0.00 0.00 52.55 52.26 3k3w s ASP 183 Cb -0.04 0.62 0.94 0.00 -0.34 0.00 0.00 42.92 44.11 3k3w s ASP 183 CO -0.02 -1.00 1.82 0.07 0.68 0.00 0.00 175.17 176.72 3k3w h LYS 184 N 1.72 0.00 0.00 2.11 2.10 -1.88 -3.26 116.57 117.36 3k3w h LYS 184 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3k3w h LYS 184 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3k3w h LYS 184 CO 0.53 0.00 -0.09 0.72 -2.00 0.00 0.00 179.45 178.61 3k3w n HIS 185 N -3.03 0.61 0.00 0.07 8.25 -1.26 -4.84 115.22 115.02 3k3w n HIS 185 Ca 0.02 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3k3w n HIS 185 Cb 0.39 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.73 3k3w n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k3w n GLY 186 N 1.37 1.31 3.77 -1.41 0.00 -1.23 -5.02 105.19 103.99 3k3w n GLY 186 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3k3w n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k3w s ASN 187 N -2.00 6.18 -0.02 1.61 0.02 -1.26 -4.61 114.94 114.87 3k3w s ASN 187 Ca 0.00 0.30 0.05 0.00 -1.02 0.00 0.00 52.86 52.18 3k3w s ASN 187 Cb 0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 41.25 39.21 3k3w s ASN 187 CO 0.00 0.26 -0.16 0.27 0.02 0.00 0.00 177.10 177.49 3k3w s ILE 188 N -0.15 1.31 0.20 0.60 -4.36 -1.26 -1.88 121.20 115.65 3k3w s ILE 188 Ca 0.10 -0.69 -0.00 0.00 -0.26 0.00 0.00 60.65 59.80 3k3w s ILE 188 Cb -0.11 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 3k3w s ILE 188 CO 0.00 0.37 0.09 -0.83 0.24 0.00 0.00 174.94 174.82 3k3w s GLY 189 N -0.29 1.39 -0.14 6.27 0.00 -0.58 -0.58 107.32 113.39 3k3w s GLY 189 Ca 0.04 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.02 3k3w s GLY 189 CO -0.00 -1.46 0.32 -0.47 0.00 0.00 0.00 173.10 171.49 3k3w s TYR 190 N -3.97 -0.48 0.02 1.90 5.04 -0.36 -0.07 117.35 119.43 3k3w s TYR 190 Ca 0.34 1.05 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 3k3w s TYR 190 Cb 0.07 0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.49 3k3w s TYR 190 CO 0.09 -0.31 -0.19 0.08 -1.34 0.00 0.00 175.55 173.87 3k3w s VAL 191 N 1.65 1.55 -0.58 3.14 1.01 0.53 -1.38 120.40 126.32 3k3w s VAL 191 Ca -0.07 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.94 3k3w s VAL 191 Cb -0.10 -1.33 0.27 0.00 0.00 0.00 0.00 36.38 35.22 3k3w s VAL 191 CO -0.10 0.27 0.76 -0.24 0.00 0.00 0.00 175.10 175.79 3k3w n SER 192 N 2.15 3.31 -4.77 3.32 2.88 -1.03 0.82 113.62 120.30 3k3w n SER 192 Ca -0.16 -3.38 -0.39 0.00 -1.33 0.00 0.00 58.87 53.61 3k3w n SER 192 Cb 0.53 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 3k3w n SER 192 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3k3w s PRO 193 N -2.51 4.20 -0.12 -1.46 0.04 -1.20 -4.43 135.00 129.52 3k3w s PRO 193 Ca 0.41 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 3k3w s PRO 193 Cb 0.19 -2.81 0.12 0.00 0.04 0.00 0.00 34.50 32.03 3k3w s PRO 193 CO -0.05 -0.20 0.98 0.00 0.04 0.00 0.00 177.00 177.77 3k3w s ALA 194 N -1.34 -1.91 -0.98 8.56 0.00 -1.26 -3.09 121.76 121.73 3k3w s ALA 194 Ca 0.54 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.71 3k3w s ALA 194 Cb -0.32 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.50 3k3w s ALA 194 CO 0.41 -0.43 1.35 -0.06 0.00 0.00 0.00 175.76 177.03 3k3w s PHE 195 N -1.73 2.70 -0.13 0.00 0.40 -0.69 -4.91 117.98 113.60 3k3w s PHE 195 Ca 0.01 -0.98 -0.26 0.00 -0.60 0.00 0.00 56.93 55.10 3k3w s PHE 195 Cb -0.01 -4.57 -0.02 0.00 0.51 0.00 0.00 43.02 38.93 3k3w s PHE 195 CO -0.02 -1.81 0.85 -0.51 0.70 0.00 0.00 175.22 174.43 3k3w s LEU 196 N 4.33 4.22 0.04 -0.37 1.43 -1.26 -4.81 118.68 122.26 3k3w s LEU 196 Ca 0.42 1.27 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 3k3w s LEU 196 Cb -0.02 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3k3w s LEU 196 CO -0.09 -0.35 0.74 -2.16 0.23 0.00 0.00 176.35 174.72 3k3w s PRO 197 N 1.83 4.47 -0.66 1.29 0.04 -1.26 0.45 135.00 141.16 3k3w s PRO 197 Ca 0.41 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 3k3w s PRO 197 Cb -0.17 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.01 3k3w s PRO 197 CO 0.15 0.30 1.55 -0.65 0.04 0.00 0.00 177.00 178.39 3k3w s GLN 198 N -0.09 2.96 0.09 4.56 -1.52 -0.13 -4.79 119.66 120.73 3k3w s GLN 198 Ca 0.37 0.21 0.01 0.00 -1.95 0.00 0.00 55.36 54.00 3k3w s GLN 198 Cb -0.20 -4.27 -0.04 0.00 -0.22 0.00 0.00 33.01 28.28 3k3w s GLN 198 CO 0.22 -2.38 0.21 -0.98 -0.25 0.00 0.00 175.29 172.10 3k3w s ARG 199 N 6.28 3.34 0.62 2.91 1.70 -1.26 0.11 118.95 132.65 3k3w s ARG 199 Ca 0.51 -0.53 -0.18 0.00 -0.47 0.00 0.00 55.73 55.06 3k3w s ARG 199 Cb -0.10 -2.96 -0.02 0.00 -0.57 0.00 0.00 34.95 31.29 3k3w s ARG 199 CO 0.19 0.58 1.24 -1.25 -1.08 0.00 0.00 175.30 174.97 3k3w s PRO 200 N -2.70 2.77 0.22 3.89 0.04 -1.26 -4.92 135.00 133.05 3k3w s PRO 200 Ca 0.34 1.90 0.23 0.00 0.04 0.00 0.00 61.00 63.51 3k3w s PRO 200 Cb -0.12 -1.89 0.93 0.00 0.04 0.00 0.00 34.50 33.45 3k3w s PRO 200 CO 0.27 -1.38 1.71 0.00 0.04 0.00 0.00 177.00 177.64 3k3w n ALA 201 N -1.79 1.78 0.25 8.56 0.00 -1.26 -2.36 120.51 125.69 3k3w n ALA 201 Ca 0.14 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.78 3k3w n ALA 201 Cb 0.49 -1.39 0.47 0.00 0.00 0.00 0.00 19.45 19.02 3k3w n ALA 201 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k3w h ASP 202 N 0.00 0.00 -3.02 0.00 3.32 -2.01 -3.45 116.42 111.26 3k3w h ASP 202 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3k3w h ASP 202 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3k3w h ASP 202 CO 0.00 0.05 0.77 -1.58 -1.72 0.00 0.00 179.24 176.76 3k3w s GLN 203 N -3.50 4.31 -0.44 3.56 0.74 -1.00 -5.00 119.66 118.35 3k3w s GLN 203 Ca 0.03 1.72 -0.22 0.00 0.05 0.00 0.00 55.36 56.94 3k3w s GLN 203 Cb 0.08 -3.61 0.02 0.00 1.10 0.00 0.00 33.01 30.60 3k3w s GLN 203 CO 0.60 -0.52 0.72 0.34 -0.55 0.00 0.00 175.29 175.88 3k3w s ASP 204 N 1.67 6.38 0.56 6.67 2.15 -1.26 -4.95 116.67 127.88 3k3w s ASP 204 Ca 0.57 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 53.61 3k3w s ASP 204 Cb -0.25 -2.35 1.56 0.00 -0.30 0.00 0.00 42.92 41.57 3k3w s ASP 204 CO 0.21 -0.84 2.13 -0.29 -0.17 0.00 0.00 175.17 176.21 3k3w h ILE 205 N 5.92 0.65 -0.52 4.11 2.10 -1.95 -1.34 117.51 126.47 3k3w h ILE 205 Ca -0.25 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.58 3k3w h ILE 205 Cb 1.09 0.89 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 3k3w h ILE 205 CO 0.92 0.00 -0.11 0.03 -1.08 0.00 0.00 178.15 177.91 3k3w h ARG 206 N 0.00 0.97 -6.20 2.19 -0.00 -1.92 -3.39 114.38 106.04 3k3w h ARG 206 Ca 0.07 -0.35 -0.53 0.00 -0.50 0.00 0.00 59.98 58.68 3k3w h ARG 206 Cb 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.19 3k3w h ARG 206 CO -0.00 1.02 -0.57 0.14 0.00 0.00 0.00 179.97 180.56 3k3w s VAL 207 N -4.83 4.00 0.58 2.04 -7.23 -0.51 -4.94 120.40 109.51 3k3w s VAL 207 Ca -0.11 -1.61 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 3k3w s VAL 207 Cb 0.13 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3k3w s VAL 207 CO 0.85 -0.35 1.20 -2.65 -0.31 0.00 0.00 175.10 173.84 3k3w n PRO 208 N -1.07 1.26 -2.19 4.82 -0.02 -1.26 -4.67 135.00 131.87 3k3w n PRO 208 Ca -0.07 0.48 -0.26 0.00 -2.02 0.00 0.00 63.50 61.62 3k3w n PRO 208 Cb 0.58 -2.40 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3k3w n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k3w s ALA 209 N -1.38 3.02 -0.04 3.55 0.00 -0.46 -4.85 121.76 121.59 3k3w s ALA 209 Ca 0.75 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 3k3w s ALA 209 Cb -0.42 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 3k3w s ALA 209 CO 0.46 -1.61 0.63 0.21 0.00 0.00 0.00 175.76 175.45 3k3w s LYS 210 N -5.39 4.38 -0.01 0.00 2.47 -1.26 -1.65 119.74 118.27 3k3w s LYS 210 Ca 0.64 0.76 0.13 0.00 -1.56 0.00 0.00 55.97 55.95 3k3w s LYS 210 Cb -0.08 -3.40 0.39 0.00 -1.46 0.00 0.00 37.83 33.28 3k3w s LYS 210 CO 0.47 0.22 1.31 0.41 0.16 0.00 0.00 175.35 177.92 3k3w n GLY 211 N 2.82 1.13 0.65 5.54 0.00 0.51 -3.91 105.19 111.93 3k3w n GLY 211 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.52 3k3w n GLY 211 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k3w n ASP 212 N 0.74 1.73 0.00 1.61 5.75 -1.26 -4.23 116.55 120.89 3k3w n ASP 212 Ca 0.15 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3k3w n ASP 212 Cb 0.40 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3k3w n ASP 212 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k3w n GLY 213 N 0.43 1.09 0.11 6.12 0.00 -1.12 -4.53 105.19 107.29 3k3w n GLY 213 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3k3w n GLY 213 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k3w h SER 214 N 0.00 0.21 -3.77 1.61 0.02 -1.85 -3.41 113.55 106.35 3k3w h SER 214 Ca 0.00 -0.18 -0.67 0.00 -0.84 0.00 0.00 61.79 60.09 3k3w h SER 214 Cb 0.00 -0.06 -0.38 0.00 0.14 0.00 0.00 62.40 62.10 3k3w h SER 214 CO 0.00 1.04 -0.60 -0.32 -1.14 0.00 0.00 176.83 175.81 3k3w s MET 215 N -3.02 1.88 0.06 3.45 0.00 -1.25 -5.07 119.30 115.35 3k3w s MET 215 Ca -0.02 -2.05 0.02 0.00 0.00 0.00 0.00 55.69 53.64 3k3w s MET 215 Cb 0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 34.83 31.47 3k3w s MET 215 CO 0.83 -1.04 -0.08 -1.21 0.00 0.00 0.00 175.02 173.52 3k3w s GLU 216 N 0.69 0.65 0.61 4.11 0.41 -1.26 -4.50 118.70 119.40 3k3w s GLU 216 Ca 0.12 -0.96 -0.18 0.00 -0.41 0.00 0.00 54.97 53.54 3k3w s GLU 216 Cb -0.22 -0.29 -0.02 0.00 -1.78 0.00 0.00 34.13 31.82 3k3w s GLU 216 CO -0.05 0.03 1.17 -1.58 -0.49 0.00 0.00 175.26 174.34 3k3w s TRP 217 N -2.13 2.46 -2.84 1.61 0.51 -1.26 -4.28 118.94 113.00 3k3w s TRP 217 Ca -0.02 1.54 0.24 0.00 -2.12 0.00 0.00 56.10 55.74 3k3w s TRP 217 Cb -0.05 -3.37 0.34 0.00 -0.81 0.00 0.00 33.47 29.58 3k3w s TRP 217 CO -0.01 -2.01 1.34 1.28 -0.51 0.00 0.00 176.95 177.04 3k3w n LEU 218 N -1.84 2.90 0.00 2.99 4.77 0.29 -5.00 117.00 121.11 3k3w n LEU 218 Ca 0.12 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3k3w n LEU 218 Cb 0.50 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3k3w n LEU 218 CO 0.45 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3k3w n GLY 219 N 1.36 0.57 3.32 -0.72 0.00 -1.25 -4.91 105.19 103.56 3k3w n GLY 219 Ca 0.16 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3k3w n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k3w s ILE 220 N -2.49 2.44 0.58 -0.61 1.01 -1.26 -0.96 121.20 119.91 3k3w s ILE 220 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.53 3k3w s ILE 220 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3k3w s ILE 220 CO 0.00 0.56 1.23 0.29 0.00 0.00 0.00 174.94 177.03 3k3w n LYS 221 N 3.00 1.34 -1.48 2.79 4.76 0.17 -4.80 118.16 123.94 3k3w n LYS 221 Ca -0.18 0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.44 3k3w n LYS 221 Cb 0.52 -2.44 0.08 0.00 -1.84 0.00 0.00 35.03 31.35 3k3w n LYS 221 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3k3w s SER 222 N -1.10 4.49 0.32 4.39 1.04 -1.26 -4.77 113.70 116.82 3k3w s SER 222 Ca 0.75 2.13 0.22 0.00 0.48 0.00 0.00 55.95 59.53 3k3w s SER 222 Cb -0.42 -2.56 1.18 0.00 0.10 0.00 0.00 66.02 64.32 3k3w s SER 222 CO 0.47 -2.05 1.68 0.33 0.98 0.00 0.00 173.24 174.65 3k3w n PHE 223 N -2.83 0.76 0.36 5.02 7.35 -1.26 -1.40 117.46 125.47 3k3w n PHE 223 Ca 0.11 0.39 0.14 0.00 -0.76 0.00 0.00 57.45 57.33 3k3w n PHE 223 Cb 0.51 -1.12 0.55 0.00 0.35 0.00 0.00 39.48 39.77 3k3w n PHE 223 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k3w h ASP 224 N 0.00 0.00 1.32 -2.13 5.19 -2.03 -2.76 116.42 116.02 3k3w h ASP 224 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3k3w h ASP 224 Cb 0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3k3w h ASP 224 CO 0.00 0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 175.99 3k3w h ALA 225 N 2.16 0.96 -2.46 3.45 0.00 -1.59 -3.44 119.26 118.35 3k3w h ALA 225 Ca 0.00 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.25 3k3w h ALA 225 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3k3w h ALA 225 CO 0.00 0.17 0.69 0.42 0.00 0.00 0.00 179.25 180.53 3k3w s ILE 226 N -3.44 3.76 0.06 0.00 1.09 -1.04 -4.96 121.20 116.66 3k3w s ILE 226 Ca 0.03 1.22 -0.30 0.00 -1.10 0.00 0.00 60.65 60.50 3k3w s ILE 226 Cb 0.08 -3.78 -0.09 0.00 -1.06 0.00 0.00 42.46 37.60 3k3w s ILE 226 CO 0.63 0.06 1.94 -2.65 -0.10 0.00 0.00 174.94 174.83 3k3w n PRO 227 N 4.43 2.86 -3.85 2.79 -0.02 -1.26 -4.91 135.00 135.03 3k3w n PRO 227 Ca 0.11 1.05 -0.27 0.00 -2.02 0.00 0.00 63.50 62.37 3k3w n PRO 227 Cb 0.44 -2.99 -0.17 0.00 -0.02 0.00 0.00 33.50 30.77 3k3w n PRO 227 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k3w s LYS 228 N 4.02 1.21 -0.39 -0.52 1.02 -1.26 -2.45 119.74 121.37 3k3w s LYS 228 Ca 0.87 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.54 3k3w s LYS 228 Cb -0.45 -1.76 0.11 0.00 -0.52 0.00 0.00 37.83 35.21 3k3w s LYS 228 CO 0.41 -0.41 0.13 0.00 -0.92 0.00 0.00 175.35 174.56 3k3w s ALA 229 N 1.73 2.74 -0.12 5.17 0.00 -0.48 -5.00 121.76 125.80 3k3w s ALA 229 Ca 0.02 -2.61 -0.03 0.00 0.00 0.00 0.00 51.96 49.34 3k3w s ALA 229 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3k3w s ALA 229 CO -0.07 -1.81 -0.02 -0.47 0.00 0.00 0.00 175.76 173.39 3k3w s TYR 230 N 0.64 3.08 0.00 0.00 5.04 -1.26 -1.22 117.35 123.62 3k3w s TYR 230 Ca 0.13 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 3k3w s TYR 230 Cb -0.21 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.23 3k3w s TYR 230 CO -0.08 0.22 0.00 0.09 -1.34 0.00 0.00 175.55 174.45 3k3w n ASN 231 N 2.82 -6.84 -4.96 4.32 3.02 0.26 -4.96 115.26 108.92 3k3w n ASN 231 Ca -0.18 0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 55.01 3k3w n ASN 231 Cb 0.53 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 3k3w n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3k3w s PRO 232 N 0.00 3.45 0.41 3.52 0.04 -1.26 -5.01 135.00 136.15 3k3w s PRO 232 Ca 0.00 -0.66 0.20 0.00 0.04 0.00 0.00 61.00 60.58 3k3w s PRO 232 Cb 0.00 -2.84 0.86 0.00 0.04 0.00 0.00 34.50 32.57 3k3w s PRO 232 CO 0.00 0.36 1.82 -1.35 0.04 0.00 0.00 177.00 177.88 3k3w h PRO 233 N 1.08 0.00 -0.65 0.56 0.11 -1.94 -3.05 132.00 128.12 3k3w h PRO 233 Ca -0.51 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3k3w h PRO 233 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3k3w h PRO 233 CO 0.61 0.31 0.07 -0.56 -0.21 0.00 0.00 178.00 178.22 3k3w h GLN 234 N 0.00 1.10 0.00 1.05 3.07 -2.03 -3.47 115.11 114.83 3k3w h GLN 234 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3k3w h GLN 234 Cb 0.73 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.18 3k3w h GLN 234 CO 0.04 1.03 0.00 0.41 0.09 0.00 0.00 178.83 180.40 3k3w n GLY 235 N -0.52 1.00 3.49 0.06 0.00 -1.15 -4.96 105.19 103.11 3k3w n GLY 235 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3k3w n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k3w s TYR 236 N -2.00 -0.55 -0.05 1.61 -0.85 -1.26 -2.71 117.35 111.54 3k3w s TYR 236 Ca 0.00 0.68 0.02 0.00 -0.52 0.00 0.00 57.07 57.25 3k3w s TYR 236 Cb 0.00 0.48 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3k3w s TYR 236 CO 0.00 -0.66 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.76 3k3w s LEU 237 N -1.90 1.62 -0.09 -3.49 1.43 0.31 -4.86 118.68 111.70 3k3w s LEU 237 Ca -0.04 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3k3w s LEU 237 Cb -0.01 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.61 3k3w s LEU 237 CO -0.01 0.03 0.19 0.54 0.23 0.00 0.00 176.35 177.33 3k3w s VAL 238 N 0.56 -0.21 -0.03 -1.59 0.11 -1.26 0.02 120.40 118.00 3k3w s VAL 238 Ca -0.10 0.26 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 3k3w s VAL 238 Cb -0.13 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3k3w s VAL 238 CO 0.02 0.11 -0.16 0.21 -3.33 0.00 0.00 175.10 171.95 3k3w s ASN 239 N 1.87 1.93 -0.30 3.54 3.84 0.80 -5.00 114.94 121.62 3k3w s ASN 239 Ca -0.03 -0.30 0.20 0.00 0.21 0.00 0.00 52.86 52.94 3k3w s ASN 239 Cb -0.12 -0.37 0.48 0.00 -0.55 0.00 0.00 41.25 40.70 3k3w s ASN 239 CO -0.07 0.17 1.08 1.87 -2.79 0.00 0.00 177.10 177.36 3k3w n TRP 240 N 2.91 0.83 -2.46 0.43 -0.00 -1.26 -1.12 117.44 116.77 3k3w n TRP 240 Ca -0.16 -2.38 -0.05 0.00 -0.00 0.00 0.00 57.50 54.91 3k3w n TRP 240 Cb 0.54 -0.09 0.02 0.00 -0.00 0.00 0.00 31.31 31.78 3k3w n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3k3w n ASN 241 N -0.43 -2.28 -1.35 5.87 5.03 -1.24 -4.52 115.26 116.34 3k3w n ASN 241 Ca 0.06 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.36 3k3w n ASN 241 Cb 0.82 -1.66 0.00 0.00 -1.02 0.00 0.00 39.78 37.91 3k3w n ASN 241 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3k3w n ASN 242 N -1.08 1.99 -4.66 6.41 6.94 -1.26 -5.00 115.26 118.61 3k3w n ASN 242 Ca -0.05 -0.68 -0.38 0.00 -0.02 0.00 0.00 54.58 53.45 3k3w n ASN 242 Cb 0.54 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.00 3k3w n ASN 242 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 3k3w n LYS 243 N -0.00 1.21 0.12 -3.83 4.81 -1.26 -4.90 118.16 114.31 3k3w n LYS 243 Ca 0.00 0.45 -0.21 0.00 -0.87 0.00 0.00 58.31 57.68 3k3w n LYS 243 Cb 0.00 -2.29 -0.15 0.00 0.02 0.00 0.00 35.03 32.61 3k3w n LYS 243 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3k3w h PRO 244 N 0.92 0.43 -1.95 1.64 0.11 -1.94 -3.48 132.00 127.74 3k3w h PRO 244 Ca -0.49 -0.73 -0.03 0.00 0.11 0.00 0.00 66.00 64.86 3k3w h PRO 244 Cb 1.34 0.27 -0.21 0.00 0.11 0.00 0.00 31.00 32.51 3k3w h PRO 244 CO 0.54 1.34 0.18 0.00 -0.21 0.00 0.00 178.00 179.85 3k3w s ALA 245 N -2.62 -1.80 0.13 -0.75 0.00 -1.26 -4.91 121.76 110.56 3k3w s ALA 245 Ca -0.08 1.87 -0.26 0.00 0.00 0.00 0.00 51.96 53.49 3k3w s ALA 245 Cb 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 3k3w s ALA 245 CO 0.92 -0.33 1.30 -0.35 0.00 0.00 0.00 175.76 177.29 3k3w n PRO 246 N 2.26 -0.37 -1.24 0.00 -0.04 -1.26 -1.39 135.00 132.96 3k3w n PRO 246 Ca -0.15 1.27 -0.36 0.00 -0.04 0.00 0.00 63.50 64.23 3k3w n PRO 246 Cb 0.56 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3k3w n PRO 246 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3k3w n ASP 247 N -5.05 6.54 -4.14 3.54 5.75 -1.26 -4.84 116.55 117.08 3k3w n ASP 247 Ca 0.02 -2.57 -0.09 0.00 -0.01 0.00 0.00 54.79 52.14 3k3w n ASP 247 Cb 0.22 -1.44 -0.10 0.00 -1.03 0.00 0.00 41.12 38.77 3k3w n ASP 247 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3k3w s LYS 248 N 2.86 0.77 0.48 0.11 2.47 -0.49 -5.12 119.74 120.82 3k3w s LYS 248 Ca 0.58 -1.31 0.07 0.00 -1.56 0.00 0.00 55.97 53.75 3k3w s LYS 248 Cb 0.15 0.01 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 3k3w s LYS 248 CO -0.05 -0.09 0.42 0.99 0.16 0.00 0.00 175.35 176.78 3k3w s THR 249 N -3.79 2.18 -0.13 3.43 2.01 -1.26 -5.01 115.64 113.07 3k3w s THR 249 Ca 0.12 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.54 3k3w s THR 249 Cb 0.07 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3k3w s THR 249 CO -0.06 0.00 0.51 0.20 -0.69 0.00 0.00 174.62 174.58 3k3w s ASN 250 N -4.23 6.69 0.76 3.53 -0.87 -1.26 -4.98 114.94 114.58 3k3w s ASN 250 Ca 0.43 0.82 -0.14 0.00 -1.57 0.00 0.00 52.86 52.41 3k3w s ASN 250 Cb -0.03 -2.30 0.06 0.00 -0.02 0.00 0.00 41.25 38.96 3k3w s ASN 250 CO 0.26 -0.06 1.18 -0.89 -2.57 0.00 0.00 177.10 175.02 3k3w s THR 251 N 0.89 2.39 0.67 1.60 2.01 -0.68 -4.86 115.64 117.66 3k3w s THR 251 Ca 0.27 0.17 0.41 0.00 0.31 0.00 0.00 61.69 62.86 3k3w s THR 251 Cb -0.15 -2.63 0.42 0.00 0.01 0.00 0.00 72.50 70.14 3k3w s THR 251 CO 0.11 -0.12 2.28 -2.24 -0.69 0.00 0.00 174.62 173.95 3k3w h ASP 252 N -0.64 0.00 0.00 3.53 3.04 -1.92 -2.72 116.42 117.70 3k3w h ASP 252 Ca -0.46 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.16 3k3w h ASP 252 Cb 1.28 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.54 3k3w h ASP 252 CO 0.48 0.00 -1.68 1.07 -2.04 0.00 0.00 179.24 177.07 3k3w n THR 253 N -3.06 0.61 -3.73 1.15 5.66 -1.26 -4.94 114.28 108.70 3k3w n THR 253 Ca -0.03 -0.41 -0.38 0.00 -3.05 0.00 0.00 64.05 60.18 3k3w n THR 253 Cb 0.14 -0.59 -0.12 0.00 -1.55 0.00 0.00 70.33 68.21 3k3w n THR 253 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3k3w s TYR 254 N -2.32 3.16 -0.13 1.09 4.12 -1.03 -5.07 117.35 117.16 3k3w s TYR 254 Ca -0.05 -0.86 0.02 0.00 0.02 0.00 0.00 57.07 56.20 3k3w s TYR 254 Cb 0.04 -2.28 0.01 0.00 -1.52 0.00 0.00 41.96 38.20 3k3w s TYR 254 CO 0.43 -0.54 -0.20 0.71 0.02 0.00 0.00 175.55 175.96 3k3w s TYR 255 N 1.53 2.49 0.38 2.71 2.02 -1.26 -1.68 117.35 123.54 3k3w s TYR 255 Ca 0.03 -1.24 0.08 0.00 -0.37 0.00 0.00 57.07 55.57 3k3w s TYR 255 Cb -0.17 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 3k3w s TYR 255 CO 0.04 -0.58 0.20 -1.58 -1.57 0.00 0.00 175.55 172.06 3k3w s TRP 256 N 0.86 2.67 0.31 2.71 0.51 -1.26 -5.08 118.94 119.65 3k3w s TRP 256 Ca -0.07 -0.48 -0.02 0.00 -2.12 0.00 0.00 56.10 53.41 3k3w s TRP 256 Cb -0.15 -1.86 0.01 0.00 -0.81 0.00 0.00 33.47 30.65 3k3w s TRP 256 CO -0.02 0.20 0.43 -2.37 -0.51 0.00 0.00 176.95 174.68 3k3w n THR 257 N -1.25 0.00 0.31 2.01 5.66 -1.26 -5.03 114.28 114.71 3k3w n THR 257 Ca -0.01 -1.54 0.18 0.00 -3.05 0.00 0.00 64.05 59.64 3k3w n THR 257 Cb 0.63 0.95 0.99 0.00 -1.55 0.00 0.00 70.33 71.35 3k3w n THR 257 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 175.07 172.12 3k3w h TYR 258 N 1.88 0.00 -2.28 1.09 -0.00 -1.97 -3.33 116.97 112.36 3k3w h TYR 258 Ca -0.24 0.00 -0.56 0.00 0.00 0.00 0.00 58.73 57.93 3k3w h TYR 258 Cb 1.03 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.67 3k3w h TYR 258 CO 0.00 0.02 1.03 0.20 -0.00 0.00 0.00 178.16 179.41 3k3w s GLY 259 N -4.15 1.00 -0.00 0.10 0.00 -1.26 -4.99 107.32 98.02 3k3w s GLY 259 Ca -0.04 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.16 3k3w s GLY 259 CO 0.50 2.56 -0.08 -0.35 0.00 0.00 0.00 173.10 175.73 3k3w s ASP 260 N 3.85 0.96 0.58 1.64 3.68 -1.25 -4.95 116.67 121.18 3k3w s ASP 260 Ca 0.34 -0.18 0.33 0.00 2.13 0.00 0.00 52.55 55.17 3k3w s ASP 260 Cb -0.08 -0.09 1.78 0.00 -1.45 0.00 0.00 42.92 43.07 3k3w s ASP 260 CO 0.12 0.08 2.18 0.08 0.13 0.00 0.00 175.17 177.75 3k3w h ARG 261 N 5.81 0.00 0.00 4.34 0.11 -1.88 -2.62 114.38 120.14 3k3w h ARG 261 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 3k3w h ARG 261 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3k3w h ARG 261 CO 0.49 0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.61 3k3w h MET 262 N 0.00 0.00 0.00 0.08 -0.00 -1.96 -1.65 114.93 111.40 3k3w h MET 262 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 3k3w h MET 262 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.80 3k3w h MET 262 CO 0.01 0.00 -0.12 -0.91 -0.00 0.00 0.00 176.91 175.89 3k3w h ASN 263 N 0.00 0.00 1.01 -0.10 2.35 -1.88 -1.45 115.58 115.51 3k3w h ASN 263 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k3w h ASN 263 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3k3w h ASN 263 CO 0.00 0.12 0.00 -0.33 -1.65 0.00 0.00 177.43 175.57 3k3w h GLU 264 N 0.00 0.00 0.00 0.81 3.07 -1.52 -2.55 114.58 114.39 3k3w h GLU 264 Ca -0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 3k3w h GLU 264 Cb 0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 3k3w h GLU 264 CO 0.02 0.00 -1.98 1.28 -1.40 0.00 0.00 179.01 176.93 3k3w n LEU 265 N -2.42 1.81 -0.16 1.33 4.77 -0.97 -4.63 117.00 116.73 3k3w n LEU 265 Ca 0.03 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3k3w n LEU 265 Cb 0.30 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3k3w n LEU 265 CO 0.24 0.62 0.77 0.58 -1.33 0.00 0.00 177.39 178.27 3k3w h VAL 266 N 0.00 1.27 -0.52 4.08 2.07 -1.34 -3.22 116.25 118.58 3k3w h VAL 266 Ca -0.38 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.15 3k3w h VAL 266 Cb 1.70 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3k3w h VAL 266 CO -0.03 0.39 0.37 0.77 0.02 0.00 0.00 177.57 179.08 3k3w h SER 267 N 0.68 0.11 1.09 0.57 4.64 -1.71 -1.38 113.55 117.55 3k3w h SER 267 Ca 0.13 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3k3w h SER 267 Cb 0.55 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3k3w h SER 267 CO 0.03 0.06 -0.17 1.56 -0.87 0.00 0.00 176.83 177.45 3k3w h GLN 268 N 0.13 0.00 0.00 4.77 4.20 -1.82 -2.50 115.11 119.88 3k3w h GLN 268 Ca 0.25 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 3k3w h GLN 268 Cb 0.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3k3w h GLN 268 CO -0.03 0.17 -0.57 1.88 -0.67 0.00 0.00 178.83 179.61 3k3w h TYR 269 N 0.00 0.00 -0.00 2.96 -1.99 -1.40 -3.03 116.97 113.51 3k3w h TYR 269 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3k3w h TYR 269 Cb 0.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.49 3k3w h TYR 269 CO 0.00 0.57 -0.10 1.04 -0.00 0.00 0.00 178.16 179.67 3k3w n GLN 270 N -3.85 0.57 -0.02 4.88 6.02 -0.95 -3.97 117.38 120.05 3k3w n GLN 270 Ca -0.01 -0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 56.66 3k3w n GLN 270 Cb 0.58 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 3k3w n GLN 270 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3k3w h GLN 271 N 0.40 0.37 -5.18 -1.09 7.50 -1.41 -3.47 115.11 112.23 3k3w h GLN 271 Ca 0.00 -0.33 -0.36 0.00 0.50 0.00 0.00 58.65 58.46 3k3w h GLN 271 Cb 0.36 0.08 -0.15 0.00 0.05 0.00 0.00 27.48 27.81 3k3w h GLN 271 CO 0.00 0.98 -0.73 0.21 -1.50 0.00 0.00 178.83 177.80 3k3w s LYS 272 N -3.49 1.07 -0.01 1.46 2.20 -1.25 -5.07 119.74 114.65 3k3w s LYS 272 Ca -0.14 -1.40 -0.21 0.00 -0.36 0.00 0.00 55.97 53.85 3k3w s LYS 272 Cb 0.04 -0.73 -0.21 0.00 -1.51 0.00 0.00 37.83 35.42 3k3w s LYS 272 CO 0.79 0.11 1.13 -0.44 -0.36 0.00 0.00 175.35 176.58 3k3w h ASP 273 N 2.95 0.39 -3.52 1.43 3.45 -1.91 -3.46 116.42 115.76 3k3w h ASP 273 Ca -0.37 -0.70 -0.32 0.00 0.43 0.00 0.00 57.03 56.06 3k3w h ASP 273 Cb 1.20 -0.12 -0.34 0.00 -0.56 0.00 0.00 39.33 39.51 3k3w h ASP 273 CO 0.60 1.04 -0.74 -0.22 -1.57 0.00 0.00 179.24 178.35 3k3w s LEU 274 N -8.57 1.16 0.27 1.55 2.96 -1.26 -4.84 118.68 109.94 3k3w s LEU 274 Ca -0.14 0.00 0.11 0.00 -0.22 0.00 0.00 54.13 53.88 3k3w s LEU 274 Cb 0.03 -0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 3k3w s LEU 274 CO 0.78 -0.11 -0.19 -0.36 -1.32 0.00 0.00 176.35 175.15 3k3w s PHE 275 N 1.01 2.21 0.59 5.38 0.08 -1.03 -4.84 117.98 121.38 3k3w s PHE 275 Ca -0.09 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3k3w s PHE 275 Cb -0.13 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3k3w s PHE 275 CO -0.02 0.66 0.87 -1.54 -0.10 0.00 0.00 175.22 175.09 3k3w s SER 276 N -3.46 5.37 0.48 1.36 1.04 -1.26 -0.64 113.70 116.59 3k3w s SER 276 Ca 0.29 0.45 0.13 0.00 0.48 0.00 0.00 55.95 57.30 3k3w s SER 276 Cb -0.04 -1.37 1.12 0.00 0.10 0.00 0.00 66.02 65.82 3k3w s SER 276 CO 0.14 -1.16 2.11 -0.37 0.98 0.00 0.00 173.24 174.93 3k3w h VAL 277 N -0.15 1.04 -0.62 5.02 -1.51 -1.99 -1.30 116.25 116.75 3k3w h VAL 277 Ca -0.45 -0.11 -0.10 0.00 -1.23 0.00 0.00 66.70 64.81 3k3w h VAL 277 Cb 1.28 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 3k3w h VAL 277 CO 0.58 0.05 0.01 -0.61 -1.23 0.00 0.00 177.57 176.37 3k3w h GLN 278 N 0.17 1.08 -0.52 5.19 5.75 -1.97 -1.67 115.11 123.14 3k3w h GLN 278 Ca 0.05 -0.34 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 3k3w h GLN 278 Cb 0.01 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3k3w h GLN 278 CO -0.01 1.05 -0.10 0.93 -2.65 0.00 0.00 178.83 178.04 3k3w h GLU 279 N 0.99 0.99 -0.14 1.69 5.08 -1.64 -0.21 114.58 121.35 3k3w h GLU 279 Ca 0.18 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 3k3w h GLU 279 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3k3w h GLU 279 CO 0.03 1.04 -0.43 0.82 -1.00 0.00 0.00 179.01 179.47 3k3w h ILE 280 N 0.86 1.32 0.00 3.13 2.04 -1.36 -1.26 117.51 122.23 3k3w h ILE 280 Ca 0.13 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 3k3w h ILE 280 Cb 0.67 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3k3w h ILE 280 CO 0.05 0.48 -0.01 -0.25 0.00 0.00 0.00 178.15 178.42 3k3w h TRP 281 N 0.26 0.00 -0.14 1.37 2.91 -1.12 -2.87 115.95 116.37 3k3w h TRP 281 Ca 0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3k3w h TRP 281 Cb 0.87 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 3k3w h TRP 281 CO 0.02 0.01 0.00 -1.91 -1.03 0.00 0.00 178.44 175.53 3k3w n GLU 282 N -3.10 2.07 0.27 2.65 2.13 -0.11 -3.86 120.64 120.70 3k3w n GLU 282 Ca 0.01 -1.59 0.15 0.00 0.66 0.00 0.00 57.16 56.40 3k3w n GLU 282 Cb 0.34 -1.46 0.69 0.00 0.27 0.00 0.00 31.44 31.28 3k3w n GLU 282 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 3k3w h PHE 283 N 3.52 0.00 -0.03 4.31 -1.00 -1.09 -3.27 116.94 119.38 3k3w h PHE 283 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 3k3w h PHE 283 Cb 0.76 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.33 3k3w h PHE 283 CO 0.08 0.07 -0.62 -0.97 -1.61 0.00 0.00 178.31 175.27 3k3w h ASN 284 N 0.00 0.60 -0.97 2.17 -1.24 -1.77 -3.20 115.58 111.17 3k3w h ASN 284 Ca -0.00 -0.72 0.05 0.00 0.71 0.00 0.00 56.30 56.34 3k3w h ASN 284 Cb 0.49 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 3k3w h ASN 284 CO 0.01 1.23 0.63 1.56 -1.29 0.00 0.00 177.43 179.58 3k3w h GLN 285 N 0.02 1.16 0.00 6.67 4.20 -1.82 0.28 115.11 125.62 3k3w h GLN 285 Ca -0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3k3w h GLN 285 Cb 1.30 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3k3w h GLN 285 CO 0.12 0.76 0.00 1.63 -0.67 0.00 0.00 178.83 180.68 3k3w n LYS 286 N -4.46 0.44 -0.01 1.46 5.02 -1.24 -3.21 118.16 116.15 3k3w n LYS 286 Ca 0.14 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3k3w n LYS 286 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3k3w n LYS 286 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k3w n ALA 287 N -1.20 2.14 0.21 7.82 0.00 -0.08 -4.10 120.51 125.29 3k3w n ALA 287 Ca 0.13 -0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.38 3k3w n ALA 287 Cb 0.15 -0.15 0.39 0.00 0.00 0.00 0.00 19.45 19.84 3k3w n ALA 287 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3k3w h SER 288 N 0.00 0.00 0.00 0.00 0.02 -0.50 -3.34 113.55 109.73 3k3w h SER 288 Ca -0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3k3w h SER 288 Cb 0.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3k3w h SER 288 CO 0.00 0.26 -1.26 -1.22 -1.14 0.00 0.00 176.83 173.47 3k3w n TYR 289 N -3.37 0.00 -1.74 3.45 4.01 -1.25 0.58 117.16 118.84 3k3w n TYR 289 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3k3w n TYR 289 Cb 0.48 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 3k3w n TYR 289 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k3w s SER 290 N -3.18 6.39 0.25 7.72 0.15 -1.25 -2.90 113.70 120.88 3k3w s SER 290 Ca -0.02 2.86 -0.30 0.00 0.70 0.00 0.00 55.95 59.19 3k3w s SER 290 Cb 0.02 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 3k3w s SER 290 CO 0.18 -0.96 1.35 -0.62 1.20 0.00 0.00 173.24 174.39 3k3w s ASP 291 N 1.14 6.79 0.06 5.45 -1.08 0.99 -4.86 116.67 125.16 3k3w s ASP 291 Ca 0.74 2.56 -0.15 0.00 -0.52 0.00 0.00 52.55 55.18 3k3w s ASP 291 Cb -0.49 -2.62 -0.25 0.00 -1.46 0.00 0.00 42.92 38.09 3k3w s ASP 291 CO 0.33 -0.58 1.16 0.58 0.52 0.00 0.00 175.17 177.17 3k3w h VAL 292 N 3.49 1.29 -0.13 1.11 2.07 -1.89 -3.34 116.25 118.85 3k3w h VAL 292 Ca -0.46 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.77 3k3w h VAL 292 Cb 1.22 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 3k3w h VAL 292 CO 0.75 0.70 0.00 -0.46 0.02 0.00 0.00 177.57 178.58 3k3w n ASN 293 N -3.86 2.76 0.14 0.57 0.23 -1.26 -4.35 115.26 109.49 3k3w n ASN 293 Ca -0.12 -1.90 -0.01 0.00 -0.53 0.00 0.00 54.58 52.02 3k3w n ASN 293 Cb 0.90 -0.07 0.19 0.00 -2.08 0.00 0.00 39.78 38.72 3k3w n ASN 293 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3k3w h TRP 294 N 4.08 0.03 0.00 -2.53 2.91 -1.99 -3.25 115.95 115.20 3k3w h TRP 294 Ca 0.00 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 3k3w h TRP 294 Cb 0.88 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 3k3w h TRP 294 CO 0.07 0.61 -0.01 -0.09 -1.03 0.00 0.00 178.44 177.98 3k3w h ARG 295 N 0.02 0.00 0.00 2.65 2.43 -1.81 -2.95 114.38 114.72 3k3w h ARG 295 Ca -0.01 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 3k3w h ARG 295 Cb 1.04 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 3k3w h ARG 295 CO 0.08 0.01 -2.28 0.66 -1.51 0.00 0.00 179.97 176.93 3k3w n TYR 296 N -4.08 0.00 0.65 2.20 4.01 -1.23 -4.29 117.16 114.42 3k3w n TYR 296 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3k3w n TYR 296 Cb 0.10 -0.87 0.15 0.00 -0.31 0.00 0.00 39.34 38.42 3k3w n TYR 296 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3k3w n PHE 297 N -2.62 0.39 -0.07 -0.72 3.72 -1.21 -4.30 117.46 112.64 3k3w n PHE 297 Ca -0.25 0.11 -0.07 0.00 -0.05 0.00 0.00 57.45 57.19 3k3w n PHE 297 Cb 1.01 -0.54 -0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3k3w n PHE 297 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3k3w h ARG 298 N 0.00 0.11 -0.05 -1.08 2.43 -1.70 -0.35 114.38 113.74 3k3w h ARG 298 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3k3w h ARG 298 Cb 0.70 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3k3w h ARG 298 CO 0.00 0.07 -0.27 -1.35 -1.51 0.00 0.00 179.97 176.92 3k3w h PRO 299 N 0.12 0.08 -0.30 0.20 0.11 -1.83 0.27 132.00 130.64 3k3w h PRO 299 Ca 0.13 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 3k3w h PRO 299 Cb 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3k3w h PRO 299 CO -0.21 0.35 -0.37 0.45 -0.21 0.00 0.00 178.00 178.01 3k3w h HIS 300 N 0.08 0.96 -0.00 0.65 3.86 -1.70 -1.02 115.15 117.97 3k3w h HIS 300 Ca 0.01 -0.30 -0.18 0.00 -1.16 0.00 0.00 60.37 58.74 3k3w h HIS 300 Cb 0.52 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3k3w h HIS 300 CO 0.00 1.09 -0.81 -0.07 0.86 0.00 0.00 177.93 179.00 3k3w h LEU 301 N 0.55 0.14 0.01 2.43 3.38 -0.78 -2.90 115.31 118.15 3k3w h LEU 301 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k3w h LEU 301 Cb 0.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3k3w h LEU 301 CO 0.09 0.89 -0.01 -0.08 0.09 0.00 0.00 178.44 179.42 3k3w h GLU 302 N 0.06 -0.02 -1.00 1.13 4.81 -0.50 -2.59 114.58 116.48 3k3w h GLU 302 Ca -0.02 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 3k3w h GLU 302 Cb 1.41 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.69 3k3w h GLU 302 CO 0.12 0.51 0.61 -0.22 -0.73 0.00 0.00 179.01 179.29 3k3w h LYS 303 N -0.56 0.74 0.21 1.92 3.64 -1.24 -1.37 116.57 119.91 3k3w h LYS 303 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3k3w h LYS 303 Cb 0.54 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3k3w h LYS 303 CO 0.00 0.49 -0.10 1.25 -2.27 0.00 0.00 179.45 178.82 3k3w h LEU 304 N 0.76 -0.23 -0.55 5.20 5.85 -1.54 -2.74 115.31 122.06 3k3w h LEU 304 Ca 0.58 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 59.20 3k3w h LEU 304 Cb 0.90 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 3k3w h LEU 304 CO -0.38 0.06 0.18 0.00 -0.34 0.00 0.00 178.44 177.96 3k3w h ALA 305 N 0.19 0.68 -0.36 1.25 0.00 -0.86 0.19 119.26 120.36 3k3w h ALA 305 Ca -0.03 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3k3w h ALA 305 Cb 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3k3w h ALA 305 CO 0.05 -0.23 -0.35 -0.56 0.00 0.00 0.00 179.25 178.15 3k3w h GLN 306 N 0.35 0.87 0.00 0.00 3.07 -1.47 -3.00 115.11 114.92 3k3w h GLN 306 Ca 0.28 -0.46 0.00 0.00 0.09 0.00 0.00 58.65 58.56 3k3w h GLN 306 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3k3w h GLN 306 CO -0.30 1.10 0.00 0.00 0.09 0.00 0.00 178.83 179.72 3k3w n GLN 307 N -4.12 0.00 -2.57 0.06 10.64 -0.95 -4.84 117.38 115.60 3k3w n GLN 307 Ca -0.03 0.06 -0.35 0.00 -1.83 0.00 0.00 57.00 54.86 3k3w n GLN 307 Cb 0.52 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.36 3k3w n GLN 307 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k3w s LEU 308 N -3.00 3.94 -0.29 2.61 1.43 0.64 -4.99 118.68 119.02 3k3w s LEU 308 Ca 0.12 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 3k3w s LEU 308 Cb 0.17 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 3k3w s LEU 308 CO 0.46 -0.66 1.60 -2.84 0.23 0.00 0.00 176.35 175.15 3k3w s PRO 309 N -3.01 3.65 0.00 1.29 0.02 -1.26 -4.85 135.00 130.84 3k3w s PRO 309 Ca 0.64 1.43 0.12 0.00 0.02 0.00 0.00 61.00 63.21 3k3w s PRO 309 Cb -0.17 -4.06 0.74 0.00 0.02 0.00 0.00 34.50 31.02 3k3w s PRO 309 CO 0.21 -1.48 1.17 0.00 -0.33 0.00 0.00 177.00 176.58 3k3w n ALA 310 N 8.92 1.97 0.35 -1.55 0.00 -1.26 -3.54 120.51 125.41 3k3w n ALA 310 Ca 0.19 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3k3w n ALA 310 Cb 0.46 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 3k3w n ALA 310 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3k3w h ASP 311 N 0.00 -0.91 -0.53 0.00 3.58 -2.02 -3.44 116.42 113.10 3k3w h ASP 311 Ca 0.00 0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.56 3k3w h ASP 311 Cb 0.00 0.25 -0.18 0.00 1.72 0.00 0.00 39.33 41.12 3k3w h ASP 311 CO 0.00 -0.59 -0.23 -1.81 -2.88 0.00 0.00 179.24 173.73 3k3w s ASP 312 N -3.57 -0.82 0.00 2.28 1.11 -1.23 -5.00 116.67 109.44 3k3w s ASP 312 Ca -0.14 -0.33 0.03 0.00 0.18 0.00 0.00 52.55 52.28 3k3w s ASP 312 Cb 0.02 1.12 0.05 0.00 1.07 0.00 0.00 42.92 45.17 3k3w s ASP 312 CO 0.45 -0.10 0.99 -0.24 1.18 0.00 0.00 175.17 177.44 3k3w n SER 313 N 4.18 0.10 -1.33 0.27 2.88 -1.25 -4.97 113.62 113.50 3k3w n SER 313 Ca 0.08 -1.94 -0.14 0.00 -1.33 0.00 0.00 58.87 55.54 3k3w n SER 313 Cb 0.60 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 3k3w n SER 313 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3k3w n SER 314 N 0.05 -4.43 0.14 -3.46 7.64 -1.26 -4.86 113.62 107.45 3k3w n SER 314 Ca 0.00 0.15 0.10 0.00 1.01 0.00 0.00 58.87 60.14 3k3w n SER 314 Cb 0.74 -3.39 0.52 0.00 -1.01 0.00 0.00 64.21 61.07 3k3w n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3k3w n LYS 315 N -2.45 0.13 0.20 1.43 5.02 -1.26 -2.19 118.16 119.04 3k3w n LYS 315 Ca -0.15 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 3k3w n LYS 315 Cb 0.54 -1.90 0.71 0.00 -0.02 0.00 0.00 35.03 34.36 3k3w n LYS 315 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k3w h ALA 316 N 2.05 2.03 0.08 7.82 0.00 -1.98 -1.05 119.26 128.21 3k3w h ALA 316 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3k3w h ALA 316 Cb 0.06 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3k3w h ALA 316 CO 0.00 -0.19 -0.85 0.00 0.00 0.00 0.00 179.25 178.21 3k3w h ALA 317 N 1.91 -0.00 0.00 0.00 0.00 -1.84 -3.29 119.26 116.03 3k3w h ALA 317 Ca 0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3k3w h ALA 317 Cb 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3k3w h ALA 317 CO -0.00 0.45 -0.26 -0.07 0.00 0.00 0.00 179.25 179.37 3k3w h LEU 318 N -0.08 0.00 0.00 0.00 3.38 -1.50 -2.78 115.31 114.33 3k3w h LEU 318 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k3w h LEU 318 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3k3w h LEU 318 CO 0.16 0.26 -0.23 0.00 0.09 0.00 0.00 178.44 178.73 3k3w h THR 319 N 0.00 0.00 -0.01 0.22 1.03 -1.35 -3.08 112.91 109.73 3k3w h THR 319 Ca -0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 3k3w h THR 319 Cb 0.65 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 3k3w h THR 319 CO 0.03 0.00 -0.56 0.23 -0.01 0.00 0.00 175.52 175.22 3k3w n MET 320 N -2.46 0.75 -0.13 0.00 2.81 -1.07 -4.47 117.12 112.55 3k3w n MET 320 Ca 0.04 -0.58 -0.19 0.00 -1.81 0.00 0.00 57.70 55.17 3k3w n MET 320 Cb 0.47 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.37 3k3w n MET 320 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3k3w n LEU 321 N -0.62 2.87 0.20 4.03 4.77 -1.10 -4.44 117.00 122.71 3k3w n LEU 321 Ca 0.08 -0.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3k3w n LEU 321 Cb 0.40 -0.88 0.44 0.00 -2.33 0.00 0.00 43.42 41.05 3k3w n LEU 321 CO 0.32 0.89 0.77 -0.07 -1.33 0.00 0.00 177.39 177.97 3k3w h LEU 322 N -0.10 0.00 -0.77 2.23 3.38 -1.76 -1.74 115.31 116.55 3k3w h LEU 322 Ca -0.58 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 3k3w h LEU 322 Cb 1.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 3k3w h LEU 322 CO -0.12 0.31 -0.17 0.00 0.09 0.00 0.00 178.44 178.55 3k3w h ALA 323 N 1.69 0.96 -2.63 1.53 0.00 -1.81 -3.45 119.26 115.54 3k3w h ALA 323 Ca -0.00 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 3k3w h ALA 323 Cb 0.65 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.46 3k3w h ALA 323 CO 0.04 0.21 0.78 -0.46 0.00 0.00 0.00 179.25 179.82 3k3w s TRP 324 N -3.45 3.12 0.22 0.00 -0.00 -0.66 -5.03 118.94 113.15 3k3w s TRP 324 Ca 0.03 0.88 -0.06 0.00 -0.00 0.00 0.00 56.10 56.95 3k3w s TRP 324 Cb 0.08 -3.80 -0.06 0.00 -0.00 0.00 0.00 33.47 29.70 3k3w s TRP 324 CO 0.64 -2.78 0.48 0.16 -0.00 0.00 0.00 176.95 175.46 3k3w s ASP 325 N 0.86 6.51 0.51 5.86 1.47 -1.26 -4.98 116.67 125.64 3k3w s ASP 325 Ca 0.64 0.72 0.17 0.00 1.18 0.00 0.00 52.55 55.26 3k3w s ASP 325 Cb -0.41 -2.14 0.92 0.00 -0.34 0.00 0.00 42.92 40.95 3k3w s ASP 325 CO 0.35 -0.07 1.46 1.23 0.68 0.00 0.00 175.17 178.82 3k3w h GLY 326 N 2.35 0.00 -2.97 2.12 0.00 -1.93 -3.44 103.07 99.20 3k3w h GLY 326 Ca -0.47 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.29 3k3w h GLY 326 CO 0.69 0.00 0.02 1.03 0.00 0.00 0.00 176.54 178.28 3k3w n MET 327 N -2.42 0.90 -2.81 4.80 2.81 -1.26 -0.01 117.12 119.13 3k3w n MET 327 Ca -0.01 0.34 -0.30 0.00 -1.81 0.00 0.00 57.70 55.92 3k3w n MET 327 Cb 0.47 -2.04 -0.02 0.00 -0.71 0.00 0.00 33.22 30.92 3k3w n MET 327 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3k3w n GLU 328 N -0.57 3.68 -2.03 0.03 2.13 -1.14 -4.83 120.64 117.91 3k3w n GLU 328 Ca 0.12 -4.76 -0.42 0.00 0.66 0.00 0.00 57.16 52.77 3k3w n GLU 328 Cb 0.46 -2.29 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 3k3w n GLU 328 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3k3w s GLN 329 N -3.67 4.27 0.21 5.31 1.11 -1.26 -4.98 119.66 120.65 3k3w s GLN 329 Ca 0.47 2.26 0.00 0.00 0.01 0.00 0.00 55.36 58.10 3k3w s GLN 329 Cb 0.28 -3.16 0.00 0.00 -1.01 0.00 0.00 33.01 29.12 3k3w s GLN 329 CO -0.15 -0.48 0.02 -0.40 0.01 0.00 0.00 175.29 174.29 3k3w n ASP 330 N 3.25 2.47 -3.43 5.90 5.75 -1.26 -2.21 116.55 127.02 3k3w n ASP 330 Ca 0.10 -1.90 -0.18 0.00 -0.01 0.00 0.00 54.79 52.80 3k3w n ASP 330 Cb 0.40 0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 3k3w n ASP 330 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3k3w s GLN 331 N -2.78 0.28 -1.85 0.11 -0.21 0.57 -4.53 119.66 111.24 3k3w s GLN 331 Ca 0.02 -0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.14 3k3w s GLN 331 Cb -0.00 -0.84 0.21 0.00 1.00 0.00 0.00 33.01 33.38 3k3w s GLN 331 CO 0.01 -0.90 0.55 0.41 -2.12 0.00 0.00 175.29 173.24 3k3w n GLY 332 N 5.31 -0.38 0.00 3.09 0.00 -1.26 -1.53 105.19 110.43 3k3w n GLY 332 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3k3w n GLY 332 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3w n GLY 333 N -1.21 3.50 3.86 -0.02 0.00 -1.26 -5.09 105.19 104.97 3k3w n GLY 333 Ca 0.08 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3k3w n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k3w s GLN 334 N 0.00 3.74 0.34 1.61 -1.52 -0.58 -0.01 119.66 123.25 3k3w s GLN 334 Ca 0.00 0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.30 3k3w s GLN 334 Cb 0.00 -3.12 -0.11 0.00 -0.22 0.00 0.00 33.01 29.56 3k3w s GLN 334 CO 0.00 0.65 1.39 -0.80 -0.25 0.00 0.00 175.29 176.28 3k3w s ASN 335 N -1.40 6.59 0.24 5.90 0.01 -0.73 0.21 114.94 125.76 3k3w s ASN 335 Ca 0.26 2.84 0.07 0.00 -0.71 0.00 0.00 52.86 55.32 3k3w s ASN 335 Cb -0.15 -2.66 0.24 0.00 0.41 0.00 0.00 41.25 39.10 3k3w s ASN 335 CO 0.14 -0.68 1.54 0.00 -1.51 0.00 0.00 177.10 176.59 3k3w h ALA 336 N 3.35 0.84 -3.53 0.60 0.00 -1.68 -3.43 119.26 115.39 3k3w h ALA 336 Ca -0.49 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 53.15 3k3w h ALA 336 Cb 1.23 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.73 3k3w h ALA 336 CO 0.66 0.80 -0.68 0.20 0.00 0.00 0.00 179.25 180.23 3k3w s GLY 337 N -4.44 1.72 0.55 0.00 0.00 -1.26 -5.00 107.32 98.89 3k3w s GLY 337 Ca -0.02 -0.86 0.33 0.00 0.00 0.00 0.00 44.72 44.16 3k3w s GLY 337 CO 0.79 -0.51 1.96 -0.56 0.00 0.00 0.00 173.10 174.77 3k3w h PRO 338 N 5.58 0.00 -0.68 2.90 0.13 -1.78 -3.36 132.00 134.79 3k3w h PRO 338 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3k3w h PRO 338 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3k3w h PRO 338 CO 0.55 0.00 0.31 0.00 -0.23 0.00 0.00 178.00 178.62 3k3w h ALA 339 N 2.00 0.88 0.00 -0.56 0.00 -1.85 -1.39 119.26 118.33 3k3w h ALA 339 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3k3w h ALA 339 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3k3w h ALA 339 CO 0.00 0.46 -0.58 -0.09 0.00 0.00 0.00 179.25 179.04 3k3w h ARG 340 N 0.95 0.00 -0.32 0.00 2.43 -1.95 0.13 114.38 115.62 3k3w h ARG 340 Ca 0.23 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3k3w h ARG 340 Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3k3w h ARG 340 CO -0.03 0.58 -0.22 0.28 -1.51 0.00 0.00 179.97 179.07 3k3w h VAL 341 N 0.00 1.29 -0.04 0.20 2.07 -1.69 -1.45 116.25 116.63 3k3w h VAL 341 Ca -0.01 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 65.98 3k3w h VAL 341 Cb 1.05 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3k3w h VAL 341 CO 0.08 0.44 -0.71 0.25 0.02 0.00 0.00 177.57 177.65 3k3w h LEU 342 N 0.47 0.28 -0.56 2.57 5.85 -1.09 -2.17 115.31 120.65 3k3w h LEU 342 Ca 0.06 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 3k3w h LEU 342 Cb 0.78 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3k3w h LEU 342 CO 0.06 0.90 -0.48 0.15 -0.34 0.00 0.00 178.44 178.72 3k3w h PHE 343 N 0.16 0.73 0.25 1.25 3.57 -0.73 -0.33 116.94 121.83 3k3w h PHE 343 Ca -0.02 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3k3w h PHE 343 Cb 1.26 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3k3w h PHE 343 CO 0.03 0.96 -0.12 -0.22 -2.23 0.00 0.00 178.31 176.73 3k3w h LYS 344 N 0.47 -0.32 0.00 1.11 3.64 -1.20 -2.43 116.57 117.83 3k3w h LYS 344 Ca 0.02 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3k3w h LYS 344 Cb 1.01 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3k3w h LYS 344 CO 0.09 -0.09 -0.32 1.79 -2.27 0.00 0.00 179.45 178.66 3k3w h THR 345 N -0.52 0.81 -0.31 1.00 1.35 -1.41 -2.62 112.91 111.20 3k3w h THR 345 Ca -0.03 -1.33 -0.12 0.00 -0.55 0.00 0.00 66.41 64.38 3k3w h THR 345 Cb 0.39 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3k3w h THR 345 CO 0.06 0.31 -0.26 -0.25 -0.25 0.00 0.00 175.52 175.14 3k3w h TRP 346 N 0.00 0.86 -0.83 4.73 7.01 -1.05 -2.39 115.95 124.28 3k3w h TRP 346 Ca -0.00 -0.25 -0.02 0.00 2.11 0.00 0.00 58.89 60.73 3k3w h TRP 346 Cb 0.80 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.64 3k3w h TRP 346 CO 0.00 0.99 0.43 -0.07 -2.79 0.00 0.00 178.44 177.00 3k3w h LEU 347 N 0.49 1.05 -0.86 0.65 3.38 -1.16 -0.72 115.31 118.14 3k3w h LEU 347 Ca 0.06 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3k3w h LEU 347 Cb 0.82 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3k3w h LEU 347 CO 0.07 0.86 -0.35 -0.33 0.09 0.00 0.00 178.44 178.78 3k3w h GLU 348 N 1.17 0.42 0.00 1.13 5.08 -1.47 -1.76 114.58 119.14 3k3w h GLU 348 Ca 0.29 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3k3w h GLU 348 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3k3w h GLU 348 CO -0.04 0.72 -0.35 0.93 -1.00 0.00 0.00 179.01 179.27 3k3w h GLU 349 N 0.36 0.00 -0.02 2.33 4.39 -1.06 -1.77 114.58 118.82 3k3w h GLU 349 Ca 0.04 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3k3w h GLU 349 Cb 0.79 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3k3w h GLU 349 CO 0.06 0.35 -0.64 0.52 -1.16 0.00 0.00 179.01 178.14 3k3w h MET 350 N 0.00 0.07 -0.03 2.33 2.86 -0.68 -3.15 114.93 116.32 3k3w h MET 350 Ca -0.00 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 3k3w h MET 350 Cb 0.97 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 3k3w h MET 350 CO 0.05 0.69 -0.83 1.88 1.06 0.00 0.00 176.91 179.76 3k3w h TYR 351 N 0.05 0.49 0.00 -0.22 0.05 -1.04 -3.16 116.97 113.13 3k3w h TYR 351 Ca -0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.51 3k3w h TYR 351 Cb 1.15 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 3k3w h TYR 351 CO 0.01 1.03 -0.08 0.87 -1.05 0.00 0.00 178.16 178.93 3k3w h LYS 352 N 0.21 0.00 -0.11 4.88 1.57 -1.28 -2.59 116.57 119.25 3k3w h LYS 352 Ca -0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3k3w h LYS 352 Cb 1.43 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.45 3k3w h LYS 352 CO 0.14 0.08 -0.89 0.00 -0.57 0.00 0.00 179.45 178.21 3k3w n GLN 353 N -4.17 0.90 0.12 3.15 10.64 -1.24 -4.59 117.38 122.18 3k3w n GLN 353 Ca -0.03 -2.70 0.00 0.00 -1.83 0.00 0.00 57.00 52.45 3k3w n GLN 353 Cb 0.16 -0.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 3k3w n GLN 353 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3k3w n VAL 354 N -0.16 0.16 -1.04 -0.39 0.31 -1.14 -4.89 118.33 111.19 3k3w n VAL 354 Ca 0.12 0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.55 3k3w n VAL 354 Cb 0.97 -0.66 0.28 0.00 -0.91 0.00 0.00 33.84 33.52 3k3w n VAL 354 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3k3w n LEU 355 N -3.40 4.58 -0.11 7.52 4.77 -1.00 -4.45 117.00 124.90 3k3w n LEU 355 Ca 0.00 -3.13 -0.22 0.00 -0.03 0.00 0.00 56.01 52.63 3k3w n LEU 355 Cb 0.01 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 3k3w n LEU 355 CO 0.00 0.76 -0.82 0.23 -1.33 0.00 0.00 177.39 176.23 3k3w n MET 356 N -0.35 0.56 -0.01 3.23 2.81 -1.04 -3.83 117.12 118.49 3k3w n MET 356 Ca 0.27 0.45 -0.17 0.00 -1.81 0.00 0.00 57.70 56.44 3k3w n MET 356 Cb 1.04 -1.64 -0.07 0.00 -0.71 0.00 0.00 33.22 31.85 3k3w n MET 356 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3k3w h PRO 357 N -1.00 0.75 -0.06 0.03 0.11 -1.86 -3.35 132.00 126.62 3k3w h PRO 357 Ca -0.41 -0.64 -0.08 0.00 0.11 0.00 0.00 66.00 64.98 3k3w h PRO 357 Cb 1.31 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.57 3k3w h PRO 357 CO -0.25 1.24 -0.26 -0.24 -0.21 0.00 0.00 178.00 178.28 3k3w h VAL 358 N 0.50 1.44 -3.34 3.15 3.04 -1.81 -3.44 116.25 115.79 3k3w h VAL 358 Ca -0.06 -1.68 -0.53 0.00 -1.01 0.00 0.00 66.70 63.42 3k3w h VAL 358 Cb 1.44 2.35 0.01 0.00 -2.01 0.00 0.00 31.29 33.08 3k3w h VAL 358 CO 0.16 0.48 0.55 -0.69 -1.01 0.00 0.00 177.57 177.06 3k3w s VAL 359 N -3.66 3.84 0.51 1.51 1.01 -1.25 -5.01 120.40 117.36 3k3w s VAL 359 Ca -0.15 1.43 -0.23 0.00 0.00 0.00 0.00 61.98 63.04 3k3w s VAL 359 Cb 0.03 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3k3w s VAL 359 CO 0.76 0.17 1.29 -2.65 0.00 0.00 0.00 175.10 174.67 3k3w n PRO 360 N 3.21 1.68 0.21 2.72 -0.02 -1.26 -4.82 135.00 136.72 3k3w n PRO 360 Ca 0.06 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.21 3k3w n PRO 360 Cb 0.46 -2.47 0.45 0.00 -0.02 0.00 0.00 33.50 31.91 3k3w n PRO 360 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3k3w h GLU 361 N 1.53 0.00 0.03 -0.52 9.09 -1.95 -1.09 114.58 121.68 3k3w h GLU 361 Ca -0.50 0.00 0.02 0.00 0.05 0.00 0.00 59.36 58.93 3k3w h GLU 361 Cb 1.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.38 3k3w h GLU 361 CO 0.57 0.30 -0.14 0.66 0.05 0.00 0.00 179.01 180.44 3k3w h SER 362 N 0.00 -0.41 -0.47 3.06 4.64 -2.02 -2.79 113.55 115.56 3k3w h SER 362 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k3w h SER 362 Cb 0.57 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3k3w h SER 362 CO 0.04 -0.21 0.00 1.41 -0.87 0.00 0.00 176.83 177.20 3k3w n HIS 363 N -5.27 1.06 -0.35 4.77 8.25 -1.22 -4.61 115.22 117.85 3k3w n HIS 363 Ca -0.06 -0.64 0.26 0.00 -0.26 0.00 0.00 57.72 57.02 3k3w n HIS 363 Cb 0.19 -0.19 0.54 0.00 1.12 0.00 0.00 29.99 31.65 3k3w n HIS 363 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3k3w h ARG 364 N 2.96 0.31 0.00 -0.41 2.43 -0.90 0.37 114.38 119.15 3k3w h ARG 364 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3k3w h ARG 364 Cb 1.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3k3w h ARG 364 CO 0.16 0.21 -0.22 0.00 -1.51 0.00 0.00 179.97 178.61 3k3w h ALA 365 N 1.62 1.47 -0.01 2.80 0.00 -1.81 -1.25 119.26 122.08 3k3w h ALA 365 Ca 0.64 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3k3w h ALA 365 Cb 1.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3k3w h ALA 365 CO -0.32 0.27 -0.31 1.98 0.00 0.00 0.00 179.25 180.87 3k3w h MET 366 N 0.00 0.01 0.00 0.00 1.85 -0.60 -3.16 114.93 113.03 3k3w h MET 366 Ca -0.00 -0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.76 3k3w h MET 366 Cb 0.43 -0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.39 3k3w h MET 366 CO 0.03 0.32 -2.34 0.66 -0.40 0.00 0.00 176.91 175.18 3k3w n TYR 367 N -4.17 0.00 -1.42 1.39 4.01 -1.04 -4.32 117.16 111.61 3k3w n TYR 367 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3k3w n TYR 367 Cb 0.36 -0.94 0.11 0.00 -0.31 0.00 0.00 39.34 38.56 3k3w n TYR 367 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3k3w n SER 368 N -2.69 5.56 -4.88 7.72 3.41 -0.50 -2.18 113.62 120.06 3k3w n SER 368 Ca -0.30 -3.74 -0.32 0.00 -0.26 0.00 0.00 58.87 54.25 3k3w n SER 368 Cb 1.09 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3k3w n SER 368 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k3w s GLN 369 N -3.58 3.34 -0.02 4.33 -1.52 -1.20 -4.93 119.66 116.08 3k3w s GLN 369 Ca 0.58 -0.40 -0.19 0.00 -1.95 0.00 0.00 55.36 53.40 3k3w s GLN 369 Cb 0.47 -3.02 -0.33 0.00 -0.22 0.00 0.00 33.01 29.92 3k3w s GLN 369 CO 0.03 0.65 0.89 0.00 -0.25 0.00 0.00 175.29 176.61 3k3w h THR 370 N 2.68 1.35 0.00 -0.19 1.03 -1.93 -3.44 112.91 112.41 3k3w h THR 370 Ca -0.48 -2.59 0.00 0.00 -0.01 0.00 0.00 66.41 63.33 3k3w h THR 370 Cb 1.18 3.08 0.00 0.00 -1.07 0.00 0.00 68.15 71.34 3k3w h THR 370 CO 0.69 0.76 0.00 0.61 -0.01 0.00 0.00 175.52 177.57 3k3w n GLY 371 N 1.71 3.04 3.71 2.99 0.00 -1.26 -4.47 105.19 110.91 3k3w n GLY 371 Ca -0.17 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 3k3w n GLY 371 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k3w s PHE 372 N 0.00 2.26 0.31 1.61 -0.12 -1.26 -4.91 117.98 115.87 3k3w s PHE 372 Ca 0.00 1.27 -0.28 0.00 -0.05 0.00 0.00 56.93 57.87 3k3w s PHE 372 Cb 0.00 -3.16 -0.09 0.00 -0.63 0.00 0.00 43.02 39.13 3k3w s PHE 372 CO 0.00 -2.46 1.05 0.00 -0.05 0.00 0.00 175.22 173.76 3k3w s ALA 373 N -2.91 3.29 0.20 1.99 0.00 -1.26 -5.07 121.76 118.00 3k3w s ALA 373 Ca 0.64 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.46 3k3w s ALA 373 Cb -0.18 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3k3w s ALA 373 CO 0.57 -0.09 -0.18 -0.08 0.00 0.00 0.00 175.76 175.98 3k3w s THR 374 N -1.33 1.97 0.22 0.00 -1.32 -1.26 -4.51 115.64 109.41 3k3w s THR 374 Ca 0.48 -2.11 -0.08 0.00 -1.21 0.00 0.00 61.69 58.77 3k3w s THR 374 Cb -0.27 -2.02 0.17 0.00 -1.51 0.00 0.00 72.50 68.86 3k3w s THR 374 CO 0.35 -0.40 1.82 0.06 -2.21 0.00 0.00 174.62 174.24 3k3w h GLN 375 N 2.85 0.74 -6.73 7.08 3.07 -1.75 -3.38 115.11 116.99 3k3w h GLN 375 Ca -0.41 -0.04 -0.52 0.00 0.09 0.00 0.00 58.65 57.76 3k3w h GLN 375 Cb 1.22 -0.17 0.05 0.00 0.08 0.00 0.00 27.48 28.66 3k3w h GLN 375 CO 0.56 0.49 0.70 -1.14 0.09 0.00 0.00 178.83 179.53 3k3w s GLN 376 N -6.08 4.33 1.07 0.06 2.00 -1.26 -4.43 119.66 115.35 3k3w s GLN 376 Ca -0.13 2.19 -0.14 0.00 -2.00 0.00 0.00 55.36 55.28 3k3w s GLN 376 Cb 0.17 -3.14 0.22 0.00 0.80 0.00 0.00 33.01 31.06 3k3w s GLN 376 CO 0.77 -0.32 1.10 0.20 -0.50 0.00 0.00 175.29 176.53 3k3w s GLY 377 N 0.26 1.57 0.21 2.59 0.00 -1.26 -4.82 107.32 105.86 3k3w s GLY 377 Ca 0.57 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.78 3k3w s GLY 377 CO 0.42 0.14 0.25 2.56 0.00 0.00 0.00 173.10 176.47 3k3w s PRO 378 N -5.10 3.17 -0.21 2.90 0.04 -1.26 -5.08 135.00 129.46 3k3w s PRO 378 Ca 0.67 -0.84 -0.03 0.00 0.04 0.00 0.00 61.00 60.84 3k3w s PRO 378 Cb -0.16 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 3k3w s PRO 378 CO 0.57 0.45 -0.06 -0.80 0.04 0.00 0.00 177.00 177.20 3k3w s ASN 379 N -3.60 4.21 0.01 6.66 0.02 -1.26 -4.97 114.94 116.00 3k3w s ASN 379 Ca 0.33 -0.39 -0.26 0.00 -1.02 0.00 0.00 52.86 51.52 3k3w s ASN 379 Cb -0.09 -1.71 -0.16 0.00 0.02 0.00 0.00 41.25 39.31 3k3w s ASN 379 CO 0.26 0.01 1.19 -0.65 0.02 0.00 0.00 177.10 177.93 3k3w h PRO 380 N 7.92 -0.66 0.00 -0.60 0.11 -2.01 -3.48 132.00 133.28 3k3w h PRO 380 Ca -0.40 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k3w h PRO 380 Cb 1.16 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3k3w h PRO 380 CO 0.60 -0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 3k3w n GLY 381 N -0.52 -0.27 3.56 -0.55 0.00 -1.26 -4.43 105.19 101.73 3k3w n GLY 381 Ca -0.11 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3k3w n GLY 381 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k3w s SER 382 N -0.13 6.43 0.00 1.61 1.04 -1.26 -4.80 113.70 116.60 3k3w s SER 382 Ca 0.00 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.51 3k3w s SER 382 Cb 0.00 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 3k3w s SER 382 CO 0.00 -0.68 1.00 0.40 0.98 0.00 0.00 173.24 174.94 3k3w h ILE 383 N 5.75 0.00 -1.49 -1.02 5.03 -1.97 -3.47 117.51 120.34 3k3w h ILE 383 Ca -0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 3k3w h ILE 383 Cb 1.10 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 3k3w h ILE 383 CO 0.87 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 175.14 3k3w n ASN 384 N -2.40 -4.47 -4.26 1.72 2.85 -1.26 -4.76 115.26 102.67 3k3w n ASN 384 Ca -0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 3k3w n ASN 384 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 3k3w n ASN 384 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3k3w s LEU 385 N 0.00 2.15 0.98 1.20 1.02 -1.26 -4.78 118.68 117.99 3k3w s LEU 385 Ca 0.00 -0.51 -0.12 0.00 0.02 0.00 0.00 54.13 53.52 3k3w s LEU 385 Cb 0.00 -1.42 0.18 0.00 0.02 0.00 0.00 46.19 44.97 3k3w s LEU 385 CO 0.00 0.20 1.08 -0.55 0.02 0.00 0.00 176.35 177.11 3k3w s SER 386 N 0.10 2.66 0.40 2.29 0.15 -1.26 -4.81 113.70 113.23 3k3w s SER 386 Ca -0.11 1.59 0.07 0.00 0.70 0.00 0.00 55.95 58.20 3k3w s SER 386 Cb -0.16 -2.25 0.82 0.00 -1.71 0.00 0.00 66.02 62.72 3k3w s SER 386 CO 0.06 -3.16 2.03 0.24 1.20 0.00 0.00 173.24 173.61 3k3w h MET 387 N -1.91 0.53 -0.36 5.44 2.86 -1.82 -2.20 114.93 117.46 3k3w h MET 387 Ca -0.52 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 56.95 3k3w h MET 387 Cb 1.30 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3k3w h MET 387 CO 0.51 0.38 -0.30 0.78 1.06 0.00 0.00 176.91 179.35 3k3w h GLY 388 N 0.60 0.84 1.30 8.32 0.00 -1.68 -0.27 103.07 112.19 3k3w h GLY 388 Ca 0.14 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3k3w h GLY 388 CO -0.02 0.71 -0.00 -0.84 0.00 0.00 0.00 176.54 176.38 3k3w h THR 389 N 0.66 1.25 -0.12 4.70 2.02 -1.68 -2.21 112.91 117.53 3k3w h THR 389 Ca 0.08 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 3k3w h THR 389 Cb 0.83 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3k3w h THR 389 CO 0.07 0.37 -0.27 0.11 0.37 0.00 0.00 175.52 176.17 3k3w h LYS 390 N 0.78 0.40 -0.58 6.66 1.57 -1.16 -2.32 116.57 121.93 3k3w h LYS 390 Ca 0.15 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3k3w h LYS 390 Cb 0.47 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3k3w h LYS 390 CO 0.02 0.87 0.27 0.28 -0.57 0.00 0.00 179.45 180.31 3k3w h VAL 391 N -0.01 1.19 -0.34 0.50 2.07 -1.06 -1.79 116.25 116.81 3k3w h VAL 391 Ca 0.00 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3k3w h VAL 391 Cb 0.86 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3k3w h VAL 391 CO 0.06 0.23 -0.12 0.25 0.02 0.00 0.00 177.57 178.01 3k3w h LEU 392 N 0.81 0.57 -0.10 2.57 5.85 -1.38 -2.29 115.31 121.34 3k3w h LEU 392 Ca 0.20 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 3k3w h LEU 392 Cb 0.10 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k3w h LEU 392 CO -0.02 0.72 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.24 3k3w h LEU 393 N 0.54 0.60 -0.03 2.25 3.38 -0.78 -3.09 115.31 118.18 3k3w h LEU 393 Ca 0.10 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3k3w h LEU 393 Cb 0.53 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3k3w h LEU 393 CO 0.03 1.15 0.00 -2.11 0.09 0.00 0.00 178.44 177.60 3k3w n ARG 394 N -4.25 0.25 0.16 1.13 1.85 -0.75 -2.63 116.66 112.43 3k3w n ARG 394 Ca -0.08 0.22 0.03 0.00 -1.00 0.00 0.00 57.85 57.02 3k3w n ARG 394 Cb 0.59 -1.80 0.18 0.00 -1.05 0.00 0.00 32.46 30.38 3k3w n ARG 394 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3k3w h ALA 395 N 2.53 0.82 -0.31 2.89 0.00 -1.44 -1.89 119.26 121.85 3k3w h ALA 395 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3k3w h ALA 395 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3k3w h ALA 395 CO 0.00 0.62 -0.32 -0.07 0.00 0.00 0.00 179.25 179.48 3k3w h LEU 396 N 0.00 0.69 -0.53 0.00 3.38 -1.42 -1.34 115.31 116.10 3k3w h LEU 396 Ca -0.00 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 3k3w h LEU 396 Cb 1.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3k3w h LEU 396 CO 0.06 0.96 -0.13 0.58 0.09 0.00 0.00 178.44 180.01 3k3w h VAL 397 N 0.57 1.27 -0.46 1.22 2.07 -1.50 -2.31 116.25 117.11 3k3w h VAL 397 Ca 0.07 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3k3w h VAL 397 Cb 0.82 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3k3w h VAL 397 CO 0.07 0.45 0.00 0.25 0.02 0.00 0.00 177.57 178.36 3k3w h LEU 398 N 0.89 0.71 -0.45 2.57 5.85 -1.17 0.14 115.31 123.85 3k3w h LEU 398 Ca 0.13 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 3k3w h LEU 398 Cb 0.70 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3k3w h LEU 398 CO 0.05 0.78 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.54 3k3w h GLU 399 N 0.70 0.95 -0.14 1.25 4.81 -1.20 -2.77 114.58 118.18 3k3w h GLU 399 Ca 0.14 -0.46 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 3k3w h GLU 399 Cb 0.43 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3k3w h GLU 399 CO 0.02 1.12 -0.45 0.00 -0.73 0.00 0.00 179.01 178.97 3k3w h ALA 400 N 0.83 0.98 -2.82 2.92 0.00 -1.05 -3.37 119.26 116.75 3k3w h ALA 400 Ca 0.08 -0.45 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 3k3w h ALA 400 Cb 0.90 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.20 3k3w h ALA 400 CO 0.08 0.63 -0.77 -1.01 0.00 0.00 0.00 179.25 178.19 3k3w s HIS 401 N -4.09 2.08 0.24 0.00 3.76 0.46 -5.09 115.29 112.65 3k3w s HIS 401 Ca -0.05 -2.60 -0.31 0.00 -0.15 0.00 0.00 55.06 51.96 3k3w s HIS 401 Cb 0.13 -1.79 -0.11 0.00 1.11 0.00 0.00 32.58 31.93 3k3w s HIS 401 CO 0.79 -0.74 1.55 -2.14 -0.85 0.00 0.00 174.74 173.35 3k3w s PRO 402 N -0.15 4.20 -0.27 8.40 0.02 -1.05 -4.56 135.00 141.58 3k3w s PRO 402 Ca 0.24 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3k3w s PRO 402 Cb -0.11 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.37 3k3w s PRO 402 CO -0.10 -0.56 -0.06 0.34 -0.33 0.00 0.00 177.00 176.29 3k3w s ASP 403 N 0.67 4.57 0.50 2.53 -1.08 -1.26 -5.02 116.67 117.58 3k3w s ASP 403 Ca 0.65 -1.26 0.18 0.00 -0.52 0.00 0.00 52.55 51.60 3k3w s ASP 403 Cb -0.45 -1.63 1.25 0.00 -1.46 0.00 0.00 42.92 40.64 3k3w s ASP 403 CO 0.41 -0.20 2.10 1.55 0.52 0.00 0.00 175.17 179.54 3k3w h PRO 404 N 7.90 0.00 0.00 4.34 0.13 -1.99 -0.76 132.00 141.62 3k3w h PRO 404 Ca -0.22 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 3k3w h PRO 404 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3k3w h PRO 404 CO 0.51 0.07 -0.58 -0.22 -0.23 0.00 0.00 178.00 177.55 3k3w h LYS 405 N 0.00 0.00 -6.27 0.86 1.63 -2.04 -3.46 116.57 107.29 3k3w h LYS 405 Ca -0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 3k3w h LYS 405 Cb 0.13 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 3k3w h LYS 405 CO 0.01 0.58 -0.11 0.50 -3.45 0.00 0.00 179.45 176.98 3k3w s ARG 406 N -3.03 3.95 -0.13 1.90 3.52 -0.29 -5.08 118.95 119.79 3k3w s ARG 406 Ca 0.03 0.45 -0.10 0.00 -0.13 0.00 0.00 55.73 55.98 3k3w s ARG 406 Cb 0.09 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 3k3w s ARG 406 CO 0.75 0.51 0.19 0.08 -0.81 0.00 0.00 175.30 176.02 3k3w s VAL 407 N -1.42 5.40 0.01 7.11 1.01 -1.26 -4.73 120.40 126.52 3k3w s VAL 407 Ca 0.36 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 3k3w s VAL 407 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3k3w s VAL 407 CO 0.19 0.53 0.32 0.21 0.00 0.00 0.00 175.10 176.35 3k3w s ASN 408 N -0.43 6.59 0.21 3.32 2.47 -1.26 -5.01 114.94 120.83 3k3w s ASN 408 Ca 0.14 0.70 0.11 0.00 0.42 0.00 0.00 52.86 54.23 3k3w s ASN 408 Cb -0.12 -2.15 0.08 0.00 -1.45 0.00 0.00 41.25 37.61 3k3w s ASN 408 CO 0.03 0.26 1.44 0.58 -3.72 0.00 0.00 177.10 175.70 3k3w h VAL 409 N 3.23 1.41 -0.30 -5.21 2.07 -1.96 -3.20 116.25 112.30 3k3w h VAL 409 Ca -0.51 -2.69 -0.07 0.00 0.82 0.00 0.00 66.70 64.25 3k3w h VAL 409 Cb 1.20 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 3k3w h VAL 409 CO 0.64 0.74 -0.09 -0.26 0.02 0.00 0.00 177.57 178.62 3k3w h PHE 410 N 0.00 0.67 0.00 1.57 0.04 -1.92 -3.48 116.94 113.82 3k3w h PHE 410 Ca -0.01 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3k3w h PHE 410 Cb 1.44 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.43 3k3w h PHE 410 CO 0.00 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 3k3w n GLY 411 N -0.13 1.40 0.43 -1.45 0.00 -1.21 -3.03 105.19 101.20 3k3w n GLY 411 Ca -0.03 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3k3w n GLY 411 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k3w n GLU 412 N 0.00 1.57 -4.31 1.61 0.28 -1.26 -4.91 120.64 113.62 3k3w n GLU 412 Ca 0.00 -0.86 -0.23 0.00 -0.16 0.00 0.00 57.16 55.91 3k3w n GLU 412 Cb 0.00 -1.37 -0.12 0.00 1.43 0.00 0.00 31.44 31.39 3k3w n GLU 412 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k3w s ARG 413 N -1.83 1.19 0.57 3.44 0.52 -1.17 -5.14 118.95 116.53 3k3w s ARG 413 Ca 0.31 -1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 54.11 3k3w s ARG 413 Cb 0.16 -1.36 -0.06 0.00 0.52 0.00 0.00 34.95 34.22 3k3w s ARG 413 CO 0.25 0.30 1.01 0.45 0.02 0.00 0.00 175.30 177.33 3k3w s SER 414 N -2.25 6.37 0.36 0.23 0.15 -1.26 -4.82 113.70 112.48 3k3w s SER 414 Ca 0.10 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.29 3k3w s SER 414 Cb -0.08 -2.49 0.66 0.00 -1.71 0.00 0.00 66.02 62.40 3k3w s SER 414 CO 0.05 -0.77 1.98 0.28 1.20 0.00 0.00 173.24 175.99 3k3w h SER 415 N 0.23 0.63 1.39 5.45 0.02 -1.99 -2.84 113.55 116.44 3k3w h SER 415 Ca -0.45 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.33 3k3w h SER 415 Cb 1.19 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 3k3w h SER 415 CO 0.62 0.51 -0.60 1.56 -1.14 0.00 0.00 176.83 177.78 3k3w h GLN 416 N 0.72 0.00 -0.67 3.45 4.20 -1.97 -2.78 115.11 118.05 3k3w h GLN 416 Ca 0.18 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3k3w h GLN 416 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3k3w h GLN 416 CO -0.03 0.60 0.11 0.93 -0.67 0.00 0.00 178.83 179.77 3k3w h GLU 417 N 0.00 1.11 0.09 1.46 5.08 -1.90 0.14 114.58 120.56 3k3w h GLU 417 Ca -0.01 -0.30 -0.29 0.00 -1.00 0.00 0.00 59.36 57.77 3k3w h GLU 417 Cb 1.46 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.60 3k3w h GLU 417 CO 0.08 1.01 -1.18 0.82 -1.00 0.00 0.00 179.01 178.74 3k3w h ILE 418 N 1.04 1.30 -0.55 3.13 2.04 -1.61 -3.06 117.51 119.80 3k3w h ILE 418 Ca 0.21 -2.45 -0.01 0.00 1.00 0.00 0.00 64.86 63.60 3k3w h ILE 418 Cb 0.44 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 3k3w h ILE 418 CO 0.01 0.75 0.31 0.24 0.00 0.00 0.00 178.15 179.45 3k3w h MET 419 N 0.28 0.77 -0.42 2.37 2.86 -1.37 0.47 114.93 119.90 3k3w h MET 419 Ca -0.16 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3k3w h MET 419 Cb 1.85 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 33.33 3k3w h MET 419 CO 0.22 0.59 0.24 1.25 1.06 0.00 0.00 176.91 180.27 3k3w h HIS 420 N 0.74 0.44 -0.36 -0.22 6.17 -1.04 -1.18 115.15 119.70 3k3w h HIS 420 Ca 0.20 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.23 3k3w h HIS 420 Cb 0.04 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 3k3w h HIS 420 CO -0.01 0.25 0.00 1.15 0.71 0.00 0.00 177.93 180.03 3k3w h THR 421 N 0.48 1.26 -0.56 6.26 2.02 -1.39 -2.58 112.91 118.40 3k3w h THR 421 Ca 0.17 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3k3w h THR 421 Cb 0.03 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3k3w h THR 421 CO -0.09 0.33 0.25 0.00 0.37 0.00 0.00 175.52 176.38 3k3w h ALA 422 N 0.87 1.39 -0.50 6.16 0.00 -0.70 0.18 119.26 126.66 3k3w h ALA 422 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3k3w h ALA 422 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k3w h ALA 422 CO 0.02 0.47 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 3k3w h LEU 423 N 0.79 0.93 -0.58 0.00 5.85 -1.12 0.13 115.31 121.31 3k3w h LEU 423 Ca 0.19 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 3k3w h LEU 423 Cb 0.11 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3k3w h LEU 423 CO -0.02 1.04 -0.46 1.56 -0.34 0.00 0.00 178.44 180.22 3k3w h GLN 424 N 0.79 0.61 -0.47 1.25 4.20 -1.03 0.04 115.11 120.51 3k3w h GLN 424 Ca 0.14 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 3k3w h GLN 424 Cb 0.60 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3k3w h GLN 424 CO 0.04 0.94 -0.16 -0.91 -0.67 0.00 0.00 178.83 178.07 3k3w h ASN 425 N 0.49 0.91 -0.44 1.46 -0.26 -0.53 0.13 115.58 117.34 3k3w h ASN 425 Ca 0.03 -0.31 -0.10 0.00 -0.56 0.00 0.00 56.30 55.36 3k3w h ASN 425 Cb 0.99 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.98 3k3w h ASN 425 CO 0.09 1.06 -0.12 0.00 -1.06 0.00 0.00 177.43 177.41 3k3w h ALA 426 N 1.01 0.61 -0.72 -0.83 0.00 -0.63 0.12 119.26 118.83 3k3w h ALA 426 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3k3w h ALA 426 Cb 0.70 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3k3w h ALA 426 CO 0.05 0.51 0.30 1.96 0.00 0.00 0.00 179.25 182.07 3k3w h GLN 427 N 0.70 1.07 0.00 0.00 4.20 -0.88 -0.54 115.11 119.65 3k3w h GLN 427 Ca 0.11 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3k3w h GLN 427 Cb 0.66 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3k3w h GLN 427 CO 0.05 0.87 -0.37 0.00 -0.67 0.00 0.00 178.83 178.70 3k3w h ALA 428 N 1.14 1.24 -0.01 3.87 0.00 -0.57 0.10 119.26 125.03 3k3w h ALA 428 Ca 0.24 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3k3w h ALA 428 Cb 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k3w h ALA 428 CO -0.02 0.47 -0.60 -0.09 0.00 0.00 0.00 179.25 179.01 3k3w h ARG 429 N 0.00 0.43 -0.09 0.00 2.43 -0.35 -1.97 114.38 114.84 3k3w h ARG 429 Ca -0.00 -0.44 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 3k3w h ARG 429 Cb 0.72 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3k3w h ARG 429 CO 0.05 1.10 -0.57 -0.07 -1.51 0.00 0.00 179.97 178.97 3k3w h LEU 430 N -0.07 0.31 -0.73 3.80 4.07 -1.07 -3.11 115.31 118.51 3k3w h LEU 430 Ca -0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 3k3w h LEU 430 Cb 1.30 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3k3w h LEU 430 CO 0.12 0.81 -0.13 0.77 -1.08 0.00 0.00 178.44 178.93 3k3w h SER 431 N 0.21 0.00 0.03 -0.43 4.64 -0.83 -1.48 113.55 115.69 3k3w h SER 431 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3k3w h SER 431 Cb 1.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3k3w h SER 431 CO 0.09 0.13 -0.69 -0.61 -0.87 0.00 0.00 176.83 174.88 3k3w h GLN 432 N 0.00 0.42 0.00 4.77 4.15 -1.28 -3.41 115.11 119.75 3k3w h GLN 432 Ca -0.00 -0.49 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 3k3w h GLN 432 Cb 0.84 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 3k3w h GLN 432 CO 0.02 1.15 -0.81 -0.85 -1.93 0.00 0.00 178.83 176.41 3k3w n GLU 433 N -4.16 0.32 -1.40 1.69 0.28 -1.22 -5.03 120.64 111.12 3k3w n GLU 433 Ca -0.11 0.13 -0.37 0.00 -0.16 0.00 0.00 57.16 56.65 3k3w n GLU 433 Cb 0.72 -1.06 0.05 0.00 1.43 0.00 0.00 31.44 32.59 3k3w n GLU 433 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3k3w n GLN 434 N -4.02 0.47 -0.19 3.44 -0.06 -0.56 -4.66 117.38 111.81 3k3w n GLN 434 Ca -0.12 0.20 0.21 0.00 -2.00 0.00 0.00 57.00 55.28 3k3w n GLN 434 Cb 0.38 -1.84 0.32 0.00 -4.06 0.00 0.00 30.24 25.04 3k3w n GLN 434 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k3w n GLY 435 N 1.64 -0.51 2.07 1.69 0.00 -1.26 -4.59 105.19 104.23 3k3w n GLY 435 Ca 0.11 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 3k3w n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3w n ALA 436 N -2.01 -0.15 -3.70 4.61 0.00 -1.26 -5.02 120.51 112.98 3k3w n ALA 436 Ca 0.17 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 3k3w n ALA 436 Cb 1.03 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 19.40 3k3w n ALA 436 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k3w s GLN 437 N -4.34 0.78 0.51 0.00 -1.52 -1.26 -4.96 119.66 108.86 3k3w s GLN 437 Ca 0.01 -1.24 0.45 0.00 -1.95 0.00 0.00 55.36 52.64 3k3w s GLN 437 Cb -0.01 -1.96 1.60 0.00 -0.22 0.00 0.00 33.01 32.42 3k3w s GLN 437 CO 0.02 -1.04 1.46 -1.33 -0.25 0.00 0.00 175.29 174.15 3k3w n MET 438 N 4.57 -0.00 0.00 2.91 2.81 -1.26 0.40 117.12 126.54 3k3w n MET 438 Ca 0.01 1.04 0.04 0.00 -1.81 0.00 0.00 57.70 56.97 3k3w n MET 438 Cb 0.40 -2.35 0.22 0.00 -0.71 0.00 0.00 33.22 30.79 3k3w n MET 438 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k3w n ALA 439 N -2.82 2.45 -1.12 3.04 0.00 -1.26 -2.93 120.51 117.88 3k3w n ALA 439 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3k3w n ALA 439 Cb 1.84 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 20.17 3k3w n ALA 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3k3w n ARG 440 N -0.63 0.00 -1.73 0.00 0.00 1.33 -5.07 116.66 110.57 3k3w n ARG 440 Ca 0.06 -0.43 -0.41 0.00 -0.00 0.00 0.00 57.85 57.06 3k3w n ARG 440 Cb 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 32.46 32.01 3k3w n ARG 440 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3k3w s TRP 441 N 0.00 1.35 -0.04 -0.14 0.23 -0.91 -4.92 118.94 114.51 3k3w s TRP 441 Ca 0.00 0.76 -0.03 0.00 -2.03 0.00 0.00 56.10 54.80 3k3w s TRP 441 Cb 0.00 -3.93 0.01 0.00 0.03 0.00 0.00 33.47 29.58 3k3w s TRP 441 CO 0.00 -3.40 0.09 -0.08 0.96 0.00 0.00 176.95 174.53 3k3w s THR 442 N 8.68 -0.01 0.09 2.01 -1.32 -1.26 -2.50 115.64 121.33 3k3w s THR 442 Ca 0.92 0.02 0.08 0.00 -1.21 0.00 0.00 61.69 61.51 3k3w s THR 442 Cb -0.26 -0.14 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 3k3w s THR 442 CO 0.32 0.01 -0.19 0.00 -2.21 0.00 0.00 174.62 172.55 3k3w s MET 443 N 0.17 1.85 0.36 7.08 0.23 -1.26 -4.93 119.30 122.80 3k3w s MET 443 Ca -0.01 -1.12 -0.28 0.00 -1.03 0.00 0.00 55.69 53.25 3k3w s MET 443 Cb -0.02 -2.12 -0.11 0.00 -1.53 0.00 0.00 34.83 31.06 3k3w s MET 443 CO -0.00 0.50 1.41 -1.25 -2.03 0.00 0.00 175.02 173.64 3k3w s PRO 444 N -1.85 4.20 0.33 3.16 0.04 -1.26 -1.78 135.00 137.85 3k3w s PRO 444 Ca 0.16 2.41 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 3k3w s PRO 444 Cb -0.10 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 3k3w s PRO 444 CO 0.08 -0.39 1.13 0.99 0.04 0.00 0.00 177.00 178.84 3k3w s THR 445 N -1.13 3.37 0.27 1.26 2.01 0.99 -4.30 115.64 118.11 3k3w s THR 445 Ca 0.51 1.27 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 3k3w s THR 445 Cb -0.43 -3.76 -0.13 0.00 0.01 0.00 0.00 72.50 68.19 3k3w s THR 445 CO 0.59 0.21 1.46 -1.54 -0.69 0.00 0.00 174.62 174.65 3k3w n SER 446 N 0.66 3.13 -4.40 3.53 3.41 -1.26 -3.81 113.62 114.89 3k3w n SER 446 Ca 0.01 1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 59.45 3k3w n SER 446 Cb 0.46 -1.49 -0.14 0.00 -0.26 0.00 0.00 64.21 62.78 3k3w n SER 446 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k3w s VAL 447 N -0.17 3.22 0.17 -3.33 1.01 -1.26 -2.55 120.40 117.49 3k3w s VAL 447 Ca 0.65 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3k3w s VAL 447 Cb -0.59 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 3k3w s VAL 447 CO 0.51 0.52 0.95 -2.28 0.00 0.00 0.00 175.10 174.80 3k3w s HIS 448 N 0.35 3.88 0.02 5.22 2.46 -1.26 -4.83 115.29 121.13 3k3w s HIS 448 Ca -0.10 1.85 0.03 0.00 0.47 0.00 0.00 55.06 57.31 3k3w s HIS 448 Cb -0.16 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.25 3k3w s HIS 448 CO 0.05 0.30 -0.08 1.03 -2.47 0.00 0.00 174.74 173.57 3k3w s ARG 449 N -0.51 0.59 -0.34 2.88 0.52 -1.26 -1.60 118.95 119.23 3k3w s ARG 449 Ca 0.44 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 3k3w s ARG 449 Cb -0.25 -0.49 0.06 0.00 0.52 0.00 0.00 34.95 34.79 3k3w s ARG 449 CO 0.31 0.12 0.08 -0.06 0.02 0.00 0.00 175.30 175.77 3k3w s PHE 450 N -0.78 3.31 0.40 -0.53 0.08 -0.69 -4.50 117.98 115.27 3k3w s PHE 450 Ca -0.03 -1.76 -0.26 0.00 0.12 0.00 0.00 56.93 55.00 3k3w s PHE 450 Cb -0.06 -2.38 -0.09 0.00 -0.57 0.00 0.00 43.02 39.92 3k3w s PHE 450 CO 0.00 -0.80 1.30 -1.12 -0.10 0.00 0.00 175.22 174.51 3k3w s SER 451 N 1.44 6.33 -0.03 1.36 0.01 -0.68 -3.58 113.70 118.55 3k3w s SER 451 Ca -0.01 2.66 0.03 0.00 1.31 0.00 0.00 55.95 59.93 3k3w s SER 451 Cb -0.20 -2.64 0.14 0.00 0.21 0.00 0.00 66.02 63.52 3k3w s SER 451 CO 0.00 -0.84 0.81 -0.90 0.41 0.00 0.00 173.24 172.73 3k3w n ASP 452 N 0.16 1.55 -3.60 2.44 5.75 -1.26 -0.91 116.55 120.68 3k3w n ASP 452 Ca 0.03 -2.12 -0.14 0.00 -0.01 0.00 0.00 54.79 52.56 3k3w n ASP 452 Cb 0.43 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 3k3w n ASP 452 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3k3w s LYS 453 N -1.44 0.99 1.20 0.11 -2.85 -1.26 -2.00 119.74 114.50 3k3w s LYS 453 Ca 0.09 -0.25 -0.19 0.00 -1.00 0.00 0.00 55.97 54.62 3k3w s LYS 453 Cb 0.07 0.45 0.28 0.00 -2.06 0.00 0.00 37.83 36.57 3k3w s LYS 453 CO 0.04 -0.35 1.10 0.54 0.10 0.00 0.00 175.35 176.78 3k3w s ASN 454 N -1.93 0.94 0.61 0.03 2.20 -0.66 -4.83 114.94 111.30 3k3w s ASN 454 Ca -0.06 0.66 0.38 0.00 -0.94 0.00 0.00 52.86 52.90 3k3w s ASN 454 Cb -0.01 -0.92 1.97 0.00 -2.00 0.00 0.00 41.25 40.29 3k3w s ASN 454 CO -0.01 -4.12 2.22 2.19 -2.94 0.00 0.00 177.10 174.44 3k3w h PHE 455 N -2.58 0.00 0.00 1.54 -5.15 -1.94 -2.54 116.94 106.28 3k3w h PHE 455 Ca -0.45 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.27 3k3w h PHE 455 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 3k3w h PHE 455 CO -2.05 0.02 -0.24 1.79 -2.00 0.00 0.00 178.31 175.84 3k3w h THR 456 N 0.00 0.46 0.00 0.88 1.35 -2.03 -3.47 112.91 110.11 3k3w h THR 456 Ca -0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3k3w h THR 456 Cb 0.18 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3k3w h THR 456 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3k3w n GLY 457 N 0.69 0.73 3.69 5.82 0.00 -0.96 -5.09 105.19 110.08 3k3w n GLY 457 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3k3w n GLY 457 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3w s THR 458 N -2.00 4.52 0.20 2.61 2.01 -1.26 -4.86 115.64 116.86 3k3w s THR 458 Ca 0.00 1.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.51 3k3w s THR 458 Cb 0.00 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3k3w s THR 458 CO 0.00 0.02 1.42 -2.84 -0.69 0.00 0.00 174.62 172.53 3k3w s PRO 459 N 1.98 4.30 0.19 4.92 0.02 -1.26 -1.65 135.00 143.48 3k3w s PRO 459 Ca 0.52 2.21 0.23 0.00 0.02 0.00 0.00 61.00 63.98 3k3w s PRO 459 Cb -0.22 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 3k3w s PRO 459 CO 0.21 -0.42 1.02 1.04 -0.33 0.00 0.00 177.00 178.52 3k3w n GLN 460 N 3.02 0.60 -3.97 5.54 6.02 -0.85 -4.85 117.38 122.88 3k3w n GLN 460 Ca 0.09 0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 57.07 3k3w n GLN 460 Cb 0.41 -1.80 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 3k3w n GLN 460 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3k3w s THR 461 N -3.37 0.00 0.28 5.09 -1.32 -1.12 -4.80 115.64 110.40 3k3w s THR 461 Ca -0.01 -1.34 -0.30 0.00 -1.21 0.00 0.00 61.69 58.83 3k3w s THR 461 Cb 0.10 -2.55 -0.12 0.00 -1.51 0.00 0.00 72.50 68.42 3k3w s THR 461 CO 0.80 0.00 1.58 1.15 -2.21 0.00 0.00 174.62 175.94 3k3w n MET 462 N -0.50 2.63 -1.67 7.08 0.00 -1.26 -4.87 117.12 118.52 3k3w n MET 462 Ca -0.03 0.94 -0.45 0.00 0.00 0.00 0.00 57.70 58.16 3k3w n MET 462 Cb 0.61 -2.71 -0.04 0.00 0.00 0.00 0.00 33.22 31.08 3k3w n MET 462 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3k3w n PRO 463 N 2.25 2.57 0.00 3.17 -0.02 -1.26 -2.29 135.00 139.43 3k3w n PRO 463 Ca 0.09 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3k3w n PRO 463 Cb 0.36 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 3k3w n PRO 463 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k3w n GLY 464 N 4.35 1.52 3.56 -1.23 0.00 -1.26 -5.05 105.19 107.09 3k3w n GLY 464 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3k3w n GLY 464 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k3w s ASN 465 N -1.28 5.39 0.25 1.61 3.04 -0.97 -4.90 114.94 118.08 3k3w s ASN 465 Ca 0.00 -0.94 0.02 0.00 0.04 0.00 0.00 52.86 51.98 3k3w s ASN 465 Cb 0.00 -2.56 -0.05 0.00 -1.54 0.00 0.00 41.25 37.09 3k3w s ASN 465 CO 0.00 -2.54 0.08 0.28 -3.04 0.00 0.00 177.10 171.88 3k3w s THR 466 N 9.19 0.64 0.08 -5.21 -1.32 -1.26 -4.33 115.64 113.43 3k3w s THR 466 Ca 0.66 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.19 3k3w s THR 466 Cb -0.05 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.34 3k3w s THR 466 CO -0.01 -0.08 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.81 3k3w s PHE 467 N -3.70 1.35 0.21 9.09 0.08 -1.23 -4.99 117.98 118.80 3k3w s PHE 467 Ca 0.36 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 57.02 3k3w s PHE 467 Cb 0.08 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 3k3w s PHE 467 CO 0.12 0.09 -0.09 0.00 -0.10 0.00 0.00 175.22 175.24 3k3w s ALA 468 N -1.22 1.95 0.21 5.36 0.00 -1.26 -1.71 121.76 125.09 3k3w s ALA 468 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3k3w s ALA 468 Cb -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3k3w s ALA 468 CO 0.03 -0.05 0.00 1.19 0.00 0.00 0.00 175.76 176.93 3k3w n PHE 469 N -0.40 0.49 -0.07 0.00 0.99 -0.63 -4.96 117.46 112.88 3k3w n PHE 469 Ca -0.07 -1.06 -0.09 0.00 -0.00 0.00 0.00 57.45 56.23 3k3w n PHE 469 Cb 0.62 -0.14 -0.06 0.00 -1.00 0.00 0.00 39.48 38.90 3k3w n PHE 469 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3k3w h THR 470 N 1.11 0.65 0.00 4.37 1.03 -1.89 -3.42 112.91 114.76 3k3w h THR 470 Ca -0.18 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.63 3k3w h THR 470 Cb 0.54 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 3k3w h THR 470 CO 0.29 0.22 0.00 0.61 -0.01 0.00 0.00 175.52 176.63 3k3w n GLY 471 N 1.62 0.22 3.50 2.99 0.00 -1.19 -4.71 105.19 107.62 3k3w n GLY 471 Ca -0.11 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.36 3k3w n GLY 471 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3k3w n TYR 472 N 0.00 0.61 -4.28 1.61 9.36 -1.06 -4.85 117.16 118.56 3k3w n TYR 472 Ca 0.00 0.94 -0.28 0.00 3.32 0.00 0.00 57.90 61.88 3k3w n TYR 472 Cb 0.00 -2.12 -0.17 0.00 -0.63 0.00 0.00 39.34 36.42 3k3w n TYR 472 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3k3w s GLN 473 N -0.21 1.95 -1.17 2.98 -0.21 -1.26 -4.87 119.66 116.87 3k3w s GLN 473 Ca 0.82 -0.45 -0.20 0.00 0.02 0.00 0.00 55.36 55.54 3k3w s GLN 473 Cb -1.10 -1.75 0.05 0.00 1.00 0.00 0.00 33.01 31.22 3k3w s GLN 473 CO 0.55 -0.12 1.63 1.21 -2.12 0.00 0.00 175.29 176.44 3k3w s ASN 474 N 1.17 6.61 0.00 5.90 3.04 0.20 -4.89 114.94 126.97 3k3w s ASN 474 Ca -0.04 -1.98 0.00 0.00 0.04 0.00 0.00 52.86 50.88 3k3w s ASN 474 Cb -0.14 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 3k3w s ASN 474 CO -0.03 -1.40 0.00 -2.11 -3.04 0.00 0.00 177.10 170.52 3k3w n ARG 475 N 8.60 0.15 -1.94 0.43 1.85 -1.26 -3.85 116.66 120.65 3k3w n ARG 475 Ca 0.42 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.96 3k3w n ARG 475 Cb 0.48 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.90 3k3w n ARG 475 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3k3w s GLY 476 N -0.59 1.79 0.54 2.89 0.00 -1.26 -4.86 107.32 105.84 3k3w s GLY 476 Ca 0.00 0.05 0.20 0.00 0.00 0.00 0.00 44.72 44.97 3k3w s GLY 476 CO 0.00 0.33 2.16 -0.84 0.00 0.00 0.00 173.10 174.76 3k3w h THR 477 N -0.06 0.86 -3.69 0.90 2.02 -0.80 -3.43 112.91 108.72 3k3w h THR 477 Ca -0.45 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.58 3k3w h THR 477 Cb 1.20 0.98 -0.21 0.00 -1.74 0.00 0.00 68.15 68.38 3k3w h THR 477 CO 0.60 0.00 -0.57 -0.70 0.37 0.00 0.00 175.52 175.23 3k3w s GLU 478 N -4.95 0.43 -0.17 6.66 -6.30 -1.24 -4.50 118.70 108.62 3k3w s GLU 478 Ca -0.05 -0.49 -0.00 0.00 -2.50 0.00 0.00 54.97 51.92 3k3w s GLU 478 Cb 0.17 0.17 0.04 0.00 0.00 0.00 0.00 34.13 34.51 3k3w s GLU 478 CO 0.64 -0.09 -0.06 -0.80 0.02 0.00 0.00 175.26 174.97 3k3w s ASN 479 N -1.45 2.95 0.05 -1.70 0.02 -1.26 -3.73 114.94 109.81 3k3w s ASN 479 Ca -0.15 -0.72 0.08 0.00 -1.02 0.00 0.00 52.86 51.05 3k3w s ASN 479 Cb -0.08 -0.95 -0.03 0.00 0.02 0.00 0.00 41.25 40.20 3k3w s ASN 479 CO 0.00 -0.19 -0.21 0.54 0.02 0.00 0.00 177.10 177.27 3k3w s ASN 480 N 1.60 3.57 -0.03 -1.22 4.22 -1.08 -2.69 114.94 119.32 3k3w s ASN 480 Ca 0.00 -0.50 0.01 0.00 -2.14 0.00 0.00 52.86 50.24 3k3w s ASN 480 Cb -0.16 -0.49 0.01 0.00 1.28 0.00 0.00 41.25 41.90 3k3w s ASN 480 CO -0.08 0.25 -0.05 -0.60 -2.04 0.00 0.00 177.10 174.58 3k3w s ARG 481 N -1.42 0.70 -0.17 3.55 3.52 0.31 -1.93 118.95 123.52 3k3w s ARG 481 Ca 0.14 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3k3w s ARG 481 Cb -0.10 -0.70 0.02 0.00 -1.56 0.00 0.00 34.95 32.61 3k3w s ARG 481 CO 0.04 0.00 -0.18 0.08 -0.81 0.00 0.00 175.30 174.44 3k3w s VAL 482 N 0.51 1.89 -0.09 7.11 1.01 -1.06 -0.43 120.40 129.33 3k3w s VAL 482 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3k3w s VAL 482 Cb -0.10 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3k3w s VAL 482 CO 0.00 0.51 -0.14 0.68 0.00 0.00 0.00 175.10 176.15 3k3w s VAL 483 N 1.32 3.01 -0.18 2.92 -7.23 -1.04 -2.28 120.40 116.91 3k3w s VAL 483 Ca 0.04 -0.71 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3k3w s VAL 483 Cb -0.13 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.60 3k3w s VAL 483 CO -0.11 0.55 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.72 3k3w s PHE 484 N -0.10 2.82 0.02 2.82 0.08 -1.24 -1.89 117.98 120.49 3k3w s PHE 484 Ca -0.02 -1.29 0.02 0.00 0.12 0.00 0.00 56.93 55.75 3k3w s PHE 484 Cb -0.14 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 3k3w s PHE 484 CO 0.04 -0.65 -0.06 0.16 -0.10 0.00 0.00 175.22 174.61 3k3w s ASP 485 N 1.19 0.66 0.32 1.36 1.47 -0.00 -3.77 116.67 117.91 3k3w s ASP 485 Ca 0.02 -0.35 0.27 0.00 1.18 0.00 0.00 52.55 53.68 3k3w s ASP 485 Cb -0.14 0.00 0.94 0.00 -0.34 0.00 0.00 42.92 43.38 3k3w s ASP 485 CO -0.07 -0.10 0.87 0.00 0.68 0.00 0.00 175.17 176.55 3k3w n ALA 486 N 2.11 1.03 -0.03 2.11 0.00 -1.26 0.28 120.51 124.75 3k3w n ALA 486 Ca -0.19 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3k3w n ALA 486 Cb 0.56 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3k3w n ALA 486 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3k3w h LYS 487 N 0.00 0.18 0.00 0.00 2.10 -2.01 -3.50 116.57 113.34 3k3w h LYS 487 Ca 0.51 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3k3w h LYS 487 Cb 2.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 3k3w h LYS 487 CO -0.01 0.61 0.00 0.41 -2.00 0.00 0.00 179.45 178.47 3k3w n GLY 488 N 0.21 -0.70 3.47 0.07 0.00 0.80 -5.16 105.19 103.88 3k3w n GLY 488 Ca -0.07 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 3k3w n GLY 488 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k3w s VAL 489 N -4.00 2.29 -0.17 1.61 0.11 -1.26 -0.82 120.40 118.15 3k3w s VAL 489 Ca 0.00 -2.32 -0.04 0.00 -2.93 0.00 0.00 61.98 56.69 3k3w s VAL 489 Cb 0.00 -2.37 0.09 0.00 -1.53 0.00 0.00 36.38 32.56 3k3w s VAL 489 CO 0.00 -0.36 0.27 -0.70 -3.33 0.00 0.00 175.10 170.97 3k3w s GLU 490 N -3.56 0.20 -0.21 1.54 2.12 -0.79 -4.96 118.70 113.04 3k3w s GLU 490 Ca 0.30 0.53 -0.18 0.00 0.36 0.00 0.00 54.97 55.98 3k3w s GLU 490 Cb -0.02 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 3k3w s GLU 490 CO 0.14 -0.47 0.48 0.12 -0.54 0.00 0.00 175.26 175.00 3k3w s PHE 491 N 2.41 3.36 -0.32 5.30 5.36 -1.26 -2.49 117.98 130.33 3k3w s PHE 491 Ca 0.05 0.71 -0.00 0.00 -0.96 0.00 0.00 56.93 56.72 3k3w s PHE 491 Cb -0.14 -2.63 0.10 0.00 -0.34 0.00 0.00 43.02 40.01 3k3w s PHE 491 CO -0.11 -0.10 0.11 0.00 -1.46 0.00 0.00 175.22 173.66 3k3w s ASP 493 N 1.45 2.12 -0.43 0.00 -4.77 -1.03 0.12 116.67 114.12 3k3w s ASP 493 Ca 0.11 -1.69 0.04 0.00 -3.30 0.00 0.00 52.55 47.71 3k3w s ASP 493 Cb -0.18 0.52 0.28 0.00 -1.09 0.00 0.00 42.92 42.44 3k3w s ASP 493 CO -0.21 -0.98 1.08 0.00 0.70 0.00 0.00 175.17 175.75 3k3w n ALA 494 N -0.74 -1.92 -2.21 2.11 0.00 -1.09 0.38 120.51 117.04 3k3w n ALA 494 Ca 0.01 -1.07 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 3k3w n ALA 494 Cb 0.64 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 3k3w n ALA 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k3w s MET 495 N 0.39 3.86 0.33 0.00 0.23 -1.26 -4.58 119.30 118.27 3k3w s MET 495 Ca 0.27 1.56 -0.06 0.00 -1.03 0.00 0.00 55.69 56.43 3k3w s MET 495 Cb 0.25 -3.98 -0.05 0.00 -1.53 0.00 0.00 34.83 29.51 3k3w s MET 495 CO -0.16 -1.21 0.62 -1.25 -2.03 0.00 0.00 175.02 170.99 3k3w s PRO 496 N 4.47 3.65 -0.10 3.16 0.04 -1.19 -4.03 135.00 141.00 3k3w s PRO 496 Ca 0.67 0.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 3k3w s PRO 496 Cb -0.23 -2.57 -0.28 0.00 0.04 0.00 0.00 34.50 31.46 3k3w s PRO 496 CO 0.27 0.13 0.61 -1.35 0.04 0.00 0.00 177.00 176.70 3k3w h PRO 497 N 1.44 0.24 0.00 0.56 0.11 -1.83 -3.43 132.00 129.09 3k3w h PRO 497 Ca -0.48 -0.42 -0.02 0.00 0.11 0.00 0.00 66.00 65.20 3k3w h PRO 497 Cb 1.19 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 3k3w h PRO 497 CO 0.65 1.20 -0.02 0.41 -0.21 0.00 0.00 178.00 180.03 3k3w n GLY 498 N 1.72 3.51 0.63 -0.55 0.00 -1.15 0.19 105.19 109.53 3k3w n GLY 498 Ca -0.23 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.33 3k3w n GLY 498 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k3w n GLN 499 N -0.03 1.82 -3.87 1.61 7.27 -0.83 -4.47 117.38 118.87 3k3w n GLN 499 Ca 0.00 -1.70 -0.29 0.00 0.07 0.00 0.00 57.00 55.08 3k3w n GLN 499 Cb 0.03 -1.28 -0.16 0.00 2.41 0.00 0.00 30.24 31.24 3k3w n GLN 499 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3k3w s SER 500 N -1.04 3.48 -0.21 1.69 0.15 -0.92 -4.98 113.70 111.87 3k3w s SER 500 Ca 0.21 -1.03 0.07 0.00 0.70 0.00 0.00 55.95 55.91 3k3w s SER 500 Cb 0.12 -0.97 0.52 0.00 -1.71 0.00 0.00 66.02 63.98 3k3w s SER 500 CO 0.17 -0.25 1.44 0.61 1.20 0.00 0.00 173.24 176.41 3k3w n GLY 501 N 4.81 2.91 3.69 9.45 0.00 -1.26 -4.02 105.19 120.77 3k3w n GLY 501 Ca -0.11 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3k3w n GLY 501 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k3w s PHE 502 N -2.21 3.48 -0.23 1.61 5.36 -1.26 -4.97 117.98 119.76 3k3w s PHE 502 Ca 0.38 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.50 3k3w s PHE 502 Cb 0.30 -2.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.18 3k3w s PHE 502 CO 0.10 -0.05 -0.12 0.99 -1.46 0.00 0.00 175.22 174.67 3k3w s THR 503 N 1.38 2.32 0.25 0.12 2.01 -1.26 -2.30 115.64 118.16 3k3w s THR 503 Ca 0.35 -1.27 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 3k3w s THR 503 Cb -0.17 -2.20 -0.13 0.00 0.01 0.00 0.00 72.50 70.01 3k3w s THR 503 CO 0.14 0.20 1.45 -0.67 -0.69 0.00 0.00 174.62 175.06 3k3w n ASP 504 N 4.55 3.01 0.06 3.53 2.03 0.72 -4.82 116.55 125.63 3k3w n ASP 504 Ca -0.17 1.14 0.21 0.00 0.52 0.00 0.00 54.79 56.50 3k3w n ASP 504 Cb 0.46 -1.47 0.68 0.00 -0.72 0.00 0.00 41.12 40.07 3k3w n ASP 504 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3k3w h ARG 505 N 4.37 0.00 -0.20 -0.67 2.43 -1.99 0.53 114.38 118.85 3k3w h ARG 505 Ca -0.45 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3k3w h ARG 505 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3k3w h ARG 505 CO 0.77 0.00 0.05 -0.91 -1.51 0.00 0.00 179.97 178.36 3k3w h ASN 506 N 0.00 0.31 0.00 -3.80 -0.26 -2.06 -3.47 115.58 106.30 3k3w h ASN 506 Ca 0.23 -0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3k3w h ASN 506 Cb 1.43 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 3k3w h ASN 506 CO -0.00 0.46 0.00 0.61 -1.06 0.00 0.00 177.43 177.44 3k3w n GLY 507 N -0.52 0.47 3.77 2.83 0.00 0.19 -5.15 105.19 106.77 3k3w n GLY 507 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3k3w n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k3w s VAL 508 N 0.00 3.29 0.26 1.61 0.11 -1.24 -4.74 120.40 119.69 3k3w s VAL 508 Ca 0.00 1.18 0.03 0.00 -2.93 0.00 0.00 61.98 60.25 3k3w s VAL 508 Cb 0.00 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 3k3w s VAL 508 CO 0.00 0.19 0.41 -0.13 -3.33 0.00 0.00 175.10 172.24 3k3w s ARG 509 N -1.94 3.46 0.39 1.54 0.52 -1.26 -0.20 118.95 121.46 3k3w s ARG 509 Ca 0.51 -0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 54.87 3k3w s ARG 509 Cb -0.31 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.24 3k3w s ARG 509 CO 0.40 0.35 1.32 0.45 0.02 0.00 0.00 175.30 177.84 3k3w s SER 510 N -3.87 6.38 0.61 0.23 0.15 -0.97 -4.90 113.70 111.33 3k3w s SER 510 Ca 0.36 2.70 0.28 0.00 0.70 0.00 0.00 55.95 60.00 3k3w s SER 510 Cb -0.09 -2.64 1.46 0.00 -1.71 0.00 0.00 66.02 63.04 3k3w s SER 510 CO 0.31 -0.81 1.86 -0.65 1.20 0.00 0.00 173.24 175.15 3k3w h PRO 511 N 2.81 0.00 -0.84 5.44 0.11 -1.95 0.10 132.00 137.67 3k3w h PRO 511 Ca -0.50 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 3k3w h PRO 511 Cb 1.24 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.07 3k3w h PRO 511 CO 0.63 0.00 0.38 0.72 -0.21 0.00 0.00 178.00 179.52 3k3w n HIS 512 N -3.43 2.72 0.06 0.65 8.25 -1.26 -4.40 115.22 117.82 3k3w n HIS 512 Ca 0.05 -2.35 -0.14 0.00 -0.26 0.00 0.00 57.72 55.02 3k3w n HIS 512 Cb 0.62 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.61 3k3w n HIS 512 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3k3w h TYR 513 N 1.59 0.35 -0.01 4.41 5.03 -1.10 -2.09 116.97 125.15 3k3w h TYR 513 Ca 0.51 -0.25 -0.17 0.00 2.58 0.00 0.00 58.73 61.39 3k3w h TYR 513 Cb 1.60 -0.01 -0.33 0.00 1.55 0.00 0.00 36.73 39.54 3k3w h TYR 513 CO 1.31 1.26 -0.86 -0.85 -1.32 0.00 0.00 178.16 177.70 3k3w n GLU 514 N -3.42 0.04 -0.10 1.82 0.28 -1.26 -2.94 120.64 115.06 3k3w n GLU 514 Ca -0.12 -1.79 0.01 0.00 -0.16 0.00 0.00 57.16 55.10 3k3w n GLU 514 Cb 1.02 0.09 0.05 0.00 1.43 0.00 0.00 31.44 34.03 3k3w n GLU 514 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3k3w n ASP 515 N 0.35 1.48 -2.08 -1.84 5.75 -1.22 -3.39 116.55 115.59 3k3w n ASP 515 Ca -0.02 -2.10 -0.01 0.00 -0.01 0.00 0.00 54.79 52.66 3k3w n ASP 515 Cb 1.04 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 40.67 3k3w n ASP 515 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k3w n GLN 516 N 0.05 0.84 -0.02 0.11 6.02 0.49 -4.88 117.38 119.99 3k3w n GLN 516 Ca 0.03 -2.15 -0.02 0.00 -0.01 0.00 0.00 57.00 54.85 3k3w n GLN 516 Cb 0.34 -0.35 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 3k3w n GLN 516 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3k3w n LEU 517 N -0.36 0.00 0.10 1.08 0.00 -1.14 -3.20 117.00 113.48 3k3w n LEU 517 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.95 3k3w n LEU 517 Cb 0.90 0.12 -0.05 0.00 0.00 0.00 0.00 43.42 44.40 3k3w n LEU 517 CO -0.05 0.12 0.26 0.11 0.00 0.00 0.00 177.39 177.83 3k3w h LYS 518 N 0.00 0.00 0.00 1.96 1.57 -1.90 -3.02 116.57 115.18 3k3w h LYS 518 Ca -0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 3k3w h LYS 518 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3k3w h LYS 518 CO 0.01 0.69 -1.18 1.37 -0.57 0.00 0.00 179.45 179.76 3k3w h LEU 519 N 0.00 0.00 -0.43 2.94 -0.00 -1.91 -3.07 115.31 112.83 3k3w h LEU 519 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.71 3k3w h LEU 519 Cb 1.57 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 3k3w h LEU 519 CO 0.09 0.55 -0.30 0.22 -0.00 0.00 0.00 178.44 179.00 3k3w h TYR 520 N 0.00 1.13 -0.86 0.17 3.20 -1.73 0.49 116.97 119.37 3k3w h TYR 520 Ca -0.12 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 3k3w h TYR 520 Cb 1.52 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 3k3w h TYR 520 CO 0.00 1.14 0.50 1.49 -1.64 0.00 0.00 178.16 179.65 3k3w h GLU 521 N 0.81 1.17 -0.60 1.82 4.81 -1.60 -2.88 114.58 118.11 3k3w h GLU 521 Ca 0.09 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3k3w h GLU 521 Cb 0.88 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3k3w h GLU 521 CO 0.08 0.83 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 3k3w n ASN 522 N -4.36 3.49 -2.34 1.04 3.02 -1.16 -4.92 115.26 110.03 3k3w n ASN 522 Ca 0.09 -2.27 -0.17 0.00 -0.03 0.00 0.00 54.58 52.20 3k3w n ASN 522 Cb 0.07 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 3k3w n ASN 522 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3k3w n PHE 523 N 0.82 -1.13 -2.78 3.10 3.72 -1.00 -4.98 117.46 115.22 3k3w n PHE 523 Ca 0.19 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3k3w n PHE 523 Cb 0.65 -3.34 -0.02 0.00 -0.94 0.00 0.00 39.48 35.83 3k3w n PHE 523 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3k3w s GLU 524 N -4.90 3.66 0.09 -1.08 2.02 0.17 -5.02 118.70 113.64 3k3w s GLU 524 Ca 0.00 0.31 0.06 0.00 0.02 0.00 0.00 54.97 55.37 3k3w s GLU 524 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3k3w s GLU 524 CO 0.00 -0.10 -0.08 0.00 0.02 0.00 0.00 175.26 175.10 3k3w s LYS 526 N -2.19 3.57 -0.03 0.00 2.36 0.16 -4.95 119.74 118.67 3k3w s LYS 526 Ca 0.22 -0.57 -0.30 0.00 -2.55 0.00 0.00 55.97 52.77 3k3w s LYS 526 Cb -0.11 -2.87 -0.03 0.00 -1.05 0.00 0.00 37.83 33.76 3k3w s LYS 526 CO 0.14 0.16 1.07 0.99 1.55 0.00 0.00 175.35 179.27 3k3w s THR 527 N 0.54 4.57 -0.19 3.43 2.01 -1.26 -2.48 115.64 122.26 3k3w s THR 527 Ca -0.04 1.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.69 3k3w s THR 527 Cb -0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 3k3w s THR 527 CO 0.03 0.07 0.19 -0.32 -0.69 0.00 0.00 174.62 173.90 3k3w s MET 528 N 1.55 4.21 0.01 4.92 1.75 -0.75 -5.02 119.30 125.97 3k3w s MET 528 Ca 0.53 -0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.55 3k3w s MET 528 Cb -0.23 -3.43 -0.05 0.00 2.84 0.00 0.00 34.83 33.96 3k3w s MET 528 CO 0.24 0.27 1.35 -0.51 -0.65 0.00 0.00 175.02 175.72 3k3w s ASP 529 N 0.43 6.90 -0.09 1.11 1.01 -1.26 -4.30 116.67 120.47 3k3w s ASP 529 Ca 0.11 2.08 -0.05 0.00 0.71 0.00 0.00 52.55 55.39 3k3w s ASP 529 Cb -0.12 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3k3w s ASP 529 CO 0.00 -0.67 -0.13 0.55 0.21 0.00 0.00 175.17 175.13 3k3w n VAL 530 N 4.52 0.69 -2.81 -1.27 3.14 -1.26 -4.82 118.33 116.53 3k3w n VAL 530 Ca 0.12 -0.07 -0.40 0.00 -2.96 0.00 0.00 64.34 61.03 3k3w n VAL 530 Cb 0.44 -1.68 -0.06 0.00 -1.06 0.00 0.00 33.84 31.49 3k3w n VAL 530 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3k3w s THR 531 N -2.21 4.27 0.25 1.55 -4.23 -1.26 -4.92 115.64 109.09 3k3w s THR 531 Ca -0.14 1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 62.29 3k3w s THR 531 Cb 0.05 -4.28 0.29 0.00 1.34 0.00 0.00 72.50 69.91 3k3w s THR 531 CO 0.18 0.46 1.63 0.45 -0.54 0.00 0.00 174.62 176.80 3k3w h HIS 532 N 4.59 -0.02 -1.00 3.99 -0.00 -1.99 0.12 115.15 120.85 3k3w h HIS 532 Ca -0.45 0.06 0.22 0.00 -0.00 0.00 0.00 60.37 60.20 3k3w h HIS 532 Cb 1.20 0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 28.65 3k3w h HIS 532 CO 0.63 -0.25 0.63 0.00 -0.00 0.00 0.00 177.93 178.93 3k3w h ALA 533 N 1.74 1.96 -0.14 2.45 0.00 -1.99 0.38 119.26 123.66 3k3w h ALA 533 Ca 0.44 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.26 3k3w h ALA 533 Cb 0.79 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3k3w h ALA 533 CO -0.69 -0.34 -0.53 -0.44 0.00 0.00 0.00 179.25 177.25 3k3w h ASP 534 N 0.56 0.71 -0.78 0.00 3.32 -1.15 -2.02 116.42 117.06 3k3w h ASP 534 Ca 0.57 -0.62 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3k3w h ASP 534 Cb 1.18 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 3k3w h ASP 534 CO -0.33 1.21 0.37 0.40 -1.72 0.00 0.00 179.24 179.17 3k3w h ILE 535 N 0.25 1.25 -0.51 0.35 5.03 -0.78 0.60 117.51 123.69 3k3w h ILE 535 Ca -0.03 -0.69 -0.03 0.00 -0.12 0.00 0.00 64.86 63.99 3k3w h ILE 535 Cb 1.16 0.24 -0.02 0.00 -3.03 0.00 0.00 36.82 35.17 3k3w h ILE 535 CO 0.11 0.30 0.19 0.03 -0.68 0.00 0.00 178.15 178.10 3k3w h ARG 536 N 1.12 0.77 0.15 2.37 2.47 -0.33 -3.12 114.38 117.81 3k3w h ARG 536 Ca 0.27 -0.15 -0.31 0.00 -1.26 0.00 0.00 59.98 58.54 3k3w h ARG 536 Cb 0.12 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3k3w h ARG 536 CO -0.03 0.69 -1.46 -0.09 0.56 0.00 0.00 179.97 179.64 3k3w h ARG 537 N 0.69 0.32 -0.01 0.04 2.43 -1.11 -3.38 114.38 113.36 3k3w h ARG 537 Ca 0.17 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3k3w h ARG 537 Cb 0.22 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3k3w h ARG 537 CO -0.01 1.22 -0.47 0.09 -1.51 0.00 0.00 179.97 179.29 3k3w n ASN 538 N -3.53 1.57 -4.70 -3.80 3.02 0.18 -4.92 115.26 103.07 3k3w n ASN 538 Ca -0.15 -1.23 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 3k3w n ASN 538 Cb 1.05 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 40.61 3k3w n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k3w s ALA 539 N -2.56 3.34 -0.17 5.41 0.00 -1.18 -4.96 121.76 121.64 3k3w s ALA 539 Ca 0.19 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 3k3w s ALA 539 Cb 0.18 -3.42 -0.22 0.00 0.00 0.00 0.00 23.12 19.66 3k3w s ALA 539 CO 0.59 -0.46 0.32 1.96 0.00 0.00 0.00 175.76 178.18 3k3w h GLN 540 N 6.98 0.10 -5.19 0.00 4.20 -1.93 -3.47 115.11 115.80 3k3w h GLN 540 Ca -0.38 -0.17 -0.67 0.00 0.06 0.00 0.00 58.65 57.48 3k3w h GLN 540 Cb 1.20 0.06 -0.32 0.00 0.30 0.00 0.00 27.48 28.72 3k3w h GLN 540 CO 0.81 1.08 -0.83 0.45 -0.67 0.00 0.00 178.83 179.67 3k3w s SER 541 N -6.91 3.43 -0.11 1.46 0.15 -1.26 -5.11 113.70 105.35 3k3w s SER 541 Ca -0.26 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 55.89 3k3w s SER 541 Cb 0.06 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 3k3w s SER 541 CO 0.66 0.08 -0.16 -0.55 1.20 0.00 0.00 173.24 174.47 3k3w s SER 542 N 0.83 2.52 -0.07 5.45 0.15 -1.26 -5.13 113.70 116.19 3k3w s SER 542 Ca -0.06 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.19 3k3w s SER 542 Cb -0.15 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3k3w s SER 542 CO -0.01 0.03 -0.20 0.28 1.20 0.00 0.00 173.24 174.54 3k3w s THR 543 N 0.94 1.69 -0.11 6.45 -1.32 -1.26 -5.14 115.64 116.89 3k3w s THR 543 Ca -0.07 -0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 59.56 3k3w s THR 543 Cb -0.15 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3k3w s THR 543 CO -0.01 0.48 -0.04 -0.32 -2.21 0.00 0.00 174.62 172.52 3k3w s MET 544 N 0.24 3.20 -0.06 7.08 1.75 -1.26 -5.11 119.30 125.15 3k3w s MET 544 Ca -0.11 -0.50 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 3k3w s MET 544 Cb -0.15 -2.78 -0.01 0.00 2.84 0.00 0.00 34.83 34.73 3k3w s MET 544 CO 0.05 0.49 -0.25 -0.51 -0.65 0.00 0.00 175.02 174.16 3k3w s LEU 545 N -0.32 2.06 -0.21 4.11 1.43 -1.26 -5.12 118.68 119.37 3k3w s LEU 545 Ca 0.05 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3k3w s LEU 545 Cb -0.12 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3k3w s LEU 545 CO 0.02 0.24 -0.02 -0.76 0.23 0.00 0.00 176.35 176.07 3k3w s LEU 546 N -0.17 3.09 0.06 1.79 1.43 -1.26 -5.10 118.68 118.52 3k3w s LEU 546 Ca -0.03 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3k3w s LEU 546 Cb -0.13 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3k3w s LEU 546 CO 0.03 0.02 0.02 0.27 0.23 0.00 0.00 176.35 176.93 3k3w s ILE 547 N 1.25 0.20 -0.13 -0.59 -4.36 -1.26 -5.14 121.20 111.16 3k3w s ILE 547 Ca 0.03 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 3k3w s ILE 547 Cb -0.14 -1.40 0.04 0.00 1.25 0.00 0.00 42.46 42.21 3k3w s ILE 547 CO 0.00 -0.89 -0.02 0.00 0.24 0.00 0.00 174.94 174.28 3k3w s GLN 548 N -3.73 0.96 -0.69 0.37 -2.07 -1.26 -5.11 119.66 108.13 3k3w s GLN 548 Ca 0.05 -0.24 -0.27 0.00 -1.82 0.00 0.00 55.36 53.09 3k3w s GLN 548 Cb 0.06 -1.61 0.04 0.00 -1.09 0.00 0.00 33.01 30.41 3k3w s GLN 548 CO -0.10 -0.41 1.21 -1.25 -1.32 0.00 0.00 175.29 173.42 3k3w s PRO 549 N 1.82 3.24 0.00 9.60 0.04 -1.26 -5.00 135.00 143.45 3k3w s PRO 549 Ca 0.02 -0.23 0.06 0.00 0.04 0.00 0.00 61.00 60.90 3k3w s PRO 549 Cb -0.14 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 3k3w s PRO 549 CO -0.07 -1.99 -0.20 1.14 0.04 0.00 0.00 177.00 175.92 3k3w s GLN 550 N 5.31 1.52 0.00 4.56 -2.07 -1.26 -5.39 119.66 122.33 3k3w s GLN 550 Ca 0.35 -0.78 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 3k3w s GLN 550 Cb -0.09 -1.52 0.00 0.00 -1.09 0.00 0.00 33.01 30.31 3k3w s GLN 550 CO 0.16 0.41 0.00 -2.30 -1.32 0.00 0.00 175.29 172.24