#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5n s ALA 2 N 0.00 3.68 -0.06 3.17 0.00 -1.23 -4.36 121.76 122.96 3k5n s ALA 2 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 3k5n s ALA 2 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3k5n s ALA 2 CO 0.00 -0.82 0.17 -1.14 0.00 0.00 0.00 175.76 173.97 3k5n s GLN 3 N 1.63 0.21 0.36 0.00 0.74 -0.55 -4.89 119.66 117.17 3k5n s GLN 3 Ca 0.69 0.21 -0.23 0.00 0.05 0.00 0.00 55.36 56.07 3k5n s GLN 3 Cb -0.39 0.10 -0.10 0.00 1.10 0.00 0.00 33.01 33.72 3k5n s GLN 3 CO 0.31 -0.03 0.93 0.00 -0.55 0.00 0.00 175.29 175.95 3k5n s ALA 4 N 0.02 3.15 0.31 1.58 0.00 -1.26 -0.16 121.76 125.40 3k5n s ALA 4 Ca -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 3k5n s ALA 4 Cb -0.01 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 20.00 3k5n s ALA 4 CO 0.00 0.17 0.56 0.41 0.00 0.00 0.00 175.76 176.90 3k5n n GLY 5 N 0.02 1.51 2.93 0.00 0.00 -0.62 -4.53 105.19 104.50 3k5n n GLY 5 Ca 0.04 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 3k5n n GLY 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k5n s PHE 6 N -3.50 0.75 -0.05 1.61 5.36 -0.55 -1.45 117.98 120.15 3k5n s PHE 6 Ca 0.16 -0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.64 3k5n s PHE 6 Cb -0.03 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 42.02 3k5n s PHE 6 CO 0.12 -0.13 1.07 0.42 -1.46 0.00 0.00 175.22 175.24 3k5n s ILE 7 N 0.53 4.58 -0.25 3.12 1.01 0.24 -0.70 121.20 129.73 3k5n s ILE 7 Ca -0.07 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.46 3k5n s ILE 7 Cb -0.11 -4.19 -0.18 0.00 0.01 0.00 0.00 42.46 37.99 3k5n s ILE 7 CO 0.00 0.05 -0.18 0.18 0.00 0.00 0.00 174.94 174.99 3k5n n LEU 8 N 4.69 2.81 -3.67 2.97 4.77 0.11 -4.89 117.00 123.79 3k5n n LEU 8 Ca 0.09 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 3k5n n LEU 8 Cb 0.48 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 3k5n n LEU 8 CO 0.53 0.91 0.17 0.42 -1.33 0.00 0.00 177.39 178.10 3k5n s THR 9 N -2.52 0.04 -0.09 -5.08 -4.23 -1.11 -4.78 115.64 97.86 3k5n s THR 9 Ca -0.33 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 3k5n s THR 9 Cb 0.09 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 3k5n s THR 9 CO 0.62 -0.16 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.31 3k5n s ARG 10 N -1.23 2.95 0.06 3.99 0.52 -1.26 -1.36 118.95 122.61 3k5n s ARG 10 Ca -0.12 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 3k5n s ARG 10 Cb -0.03 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 3k5n s ARG 10 CO 0.06 0.50 -0.06 -1.01 0.02 0.00 0.00 175.30 174.82 3k5n s HIS 11 N -0.39 0.64 -0.00 -0.53 3.76 -0.56 -4.99 115.29 113.22 3k5n s HIS 11 Ca 0.05 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.14 3k5n s HIS 11 Cb -0.12 -0.40 0.01 0.00 1.11 0.00 0.00 32.58 33.18 3k5n s HIS 11 CO 0.02 -0.17 0.23 1.67 -0.85 0.00 0.00 174.74 175.65 3k5n s TRP 12 N -2.43 -0.07 -0.07 1.40 1.48 -1.26 -2.12 118.94 115.86 3k5n s TRP 12 Ca -0.02 0.07 -0.30 0.00 -1.06 0.00 0.00 56.10 54.79 3k5n s TRP 12 Cb -0.03 0.03 0.10 0.00 -1.16 0.00 0.00 33.47 32.41 3k5n s TRP 12 CO -0.03 -0.35 0.82 -0.98 -4.06 0.00 0.00 176.95 172.35 3k5n s ARG 13 N -1.41 0.88 -0.21 3.25 1.70 -0.74 -4.99 118.95 117.42 3k5n s ARG 13 Ca -0.14 0.08 -0.19 0.00 -0.47 0.00 0.00 55.73 55.01 3k5n s ARG 13 Cb -0.06 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 3k5n s ARG 13 CO 0.03 -0.30 0.56 -0.51 -1.08 0.00 0.00 175.30 174.00 3k5n s ASP 14 N -1.46 6.58 0.26 -2.89 1.01 -1.26 -1.42 116.67 117.49 3k5n s ASP 14 Ca -0.05 0.70 0.11 0.00 0.71 0.00 0.00 52.55 54.03 3k5n s ASP 14 Cb -0.00 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 3k5n s ASP 14 CO 0.02 -0.24 -0.11 0.42 0.21 0.00 0.00 175.17 175.47 3k5n s THR 15 N 1.90 2.94 0.22 -1.27 -4.23 -0.63 -5.01 115.64 109.56 3k5n s THR 15 Ca 0.25 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3k5n s THR 15 Cb -0.16 -2.54 0.17 0.00 1.34 0.00 0.00 72.50 71.31 3k5n s THR 15 CO 0.10 -0.34 1.84 1.55 -0.54 0.00 0.00 174.62 177.23 3k5n h PRO 16 N 2.24 0.84 -0.02 3.99 0.13 -2.01 -1.49 132.00 135.68 3k5n h PRO 16 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3k5n h PRO 16 Cb 1.25 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k5n h PRO 16 CO 0.59 0.56 0.00 1.04 -0.23 0.00 0.00 178.00 179.96 3k5n n GLN 17 N -4.67 1.11 0.00 0.86 3.00 -1.26 -4.97 117.38 111.45 3k5n n GLN 17 Ca 0.09 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3k5n n GLN 17 Cb 0.13 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.05 3k5n n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k5n n GLY 18 N 0.86 -0.42 3.13 1.08 0.00 -0.56 -5.06 105.19 104.21 3k5n n GLY 18 Ca 0.15 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3k5n n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5n s THR 19 N -4.00 1.73 -0.21 2.61 2.01 -1.19 -1.61 115.64 114.98 3k5n s THR 19 Ca 0.00 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 3k5n s THR 19 Cb 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3k5n s THR 19 CO 0.00 0.49 0.06 -1.61 -0.69 0.00 0.00 174.62 172.86 3k5n s GLU 20 N 0.62 3.81 -0.12 4.92 2.02 -0.51 -4.05 118.70 125.39 3k5n s GLU 20 Ca -0.14 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.46 3k5n s GLU 20 Cb -0.16 -3.23 -0.00 0.00 0.10 0.00 0.00 34.13 30.83 3k5n s GLU 20 CO 0.04 0.08 -0.20 0.08 0.02 0.00 0.00 175.26 175.28 3k5n s VAL 21 N 0.89 2.34 0.26 2.63 1.01 -1.26 -1.80 120.40 124.47 3k5n s VAL 21 Ca 0.03 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3k5n s VAL 21 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3k5n s VAL 21 CO 0.02 0.54 -0.05 -0.44 0.00 0.00 0.00 175.10 175.18 3k5n s SER 22 N 0.53 2.47 0.10 3.32 0.01 -0.90 -2.38 113.70 116.84 3k5n s SER 22 Ca -0.13 -1.18 -0.08 0.00 1.31 0.00 0.00 55.95 55.87 3k5n s SER 22 Cb -0.17 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 65.95 3k5n s SER 22 CO 0.05 -0.37 0.19 -0.36 0.41 0.00 0.00 173.24 173.15 3k5n s PHE 23 N -3.13 0.20 -0.15 2.43 0.08 -1.05 -1.49 117.98 114.87 3k5n s PHE 23 Ca 0.28 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.71 3k5n s PHE 23 Cb 0.04 -0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 3k5n s PHE 23 CO 0.10 -0.56 -0.17 -1.58 -0.10 0.00 0.00 175.22 172.92 3k5n s TRP 24 N -3.88 2.75 0.22 0.36 0.52 -0.46 -1.51 118.94 116.94 3k5n s TRP 24 Ca 0.07 -1.14 0.08 0.00 0.02 0.00 0.00 56.10 55.13 3k5n s TRP 24 Cb 0.05 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 3k5n s TRP 24 CO -0.10 -0.52 0.06 -0.51 0.02 0.00 0.00 176.95 175.91 3k5n s LEU 25 N 0.83 3.46 -0.18 2.99 1.43 0.15 0.10 118.68 127.46 3k5n s LEU 25 Ca -0.05 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3k5n s LEU 25 Cb -0.15 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3k5n s LEU 25 CO -0.01 0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.53 3k5n s ALA 26 N -2.00 2.79 0.43 4.21 0.00 0.12 -1.62 121.76 125.69 3k5n s ALA 26 Ca 0.30 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3k5n s ALA 26 Cb -0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3k5n s ALA 26 CO 0.21 -0.10 0.05 0.95 0.00 0.00 0.00 175.76 176.88 3k5n s THR 27 N 0.91 1.12 0.35 0.00 -4.23 0.22 -1.48 115.64 112.54 3k5n s THR 27 Ca -0.01 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3k5n s THR 27 Cb -0.15 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.35 3k5n s THR 27 CO 0.01 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.35 3k5n h ASP 28 N 1.67 0.25 0.60 3.99 5.19 -1.94 -2.84 116.42 123.35 3k5n h ASP 28 Ca -0.41 -0.07 -0.21 0.00 -0.62 0.00 0.00 57.03 55.72 3k5n h ASP 28 Cb 1.28 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 3k5n h ASP 28 CO 0.69 0.50 -0.92 0.78 -3.12 0.00 0.00 179.24 177.17 3k5n h ASN 29 N 0.24 0.27 0.00 6.45 4.21 -1.95 -3.49 115.58 121.30 3k5n h ASN 29 Ca 0.04 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.32 3k5n h ASN 29 Cb 0.54 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 3k5n h ASN 29 CO 0.04 1.05 0.00 0.61 -1.29 0.00 0.00 177.43 177.83 3k5n n GLY 30 N 0.96 -0.50 3.83 2.83 0.00 -1.07 -5.11 105.19 106.12 3k5n n GLY 30 Ca -0.04 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3k5n n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k5n s PRO 31 N -1.93 4.07 0.01 1.61 0.04 -1.26 0.71 135.00 138.26 3k5n s PRO 31 Ca 0.00 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.69 3k5n s PRO 31 Cb 0.00 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3k5n s PRO 31 CO 0.00 0.45 -0.09 -1.17 0.04 0.00 0.00 177.00 176.23 3k5n s LEU 32 N -1.94 2.07 0.10 -3.56 2.96 -0.64 -4.94 118.68 112.72 3k5n s LEU 32 Ca 0.39 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3k5n s LEU 32 Cb -0.16 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 3k5n s LEU 32 CO 0.20 0.05 0.19 -1.58 -1.32 0.00 0.00 176.35 173.89 3k5n s GLN 33 N -0.50 3.26 0.04 1.98 0.74 -1.26 -0.68 119.66 123.25 3k5n s GLN 33 Ca 0.01 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 54.88 3k5n s GLN 33 Cb -0.05 -2.91 -0.02 0.00 1.10 0.00 0.00 33.01 31.13 3k5n s GLN 33 CO 0.00 0.56 -0.10 0.08 -0.55 0.00 0.00 175.29 175.29 3k5n s VAL 34 N -1.57 0.74 -0.27 1.34 1.01 -0.57 -1.72 120.40 119.36 3k5n s VAL 34 Ca 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3k5n s VAL 34 Cb -0.12 -0.74 0.12 0.00 0.00 0.00 0.00 36.38 35.64 3k5n s VAL 34 CO 0.26 -0.21 0.25 -0.89 0.00 0.00 0.00 175.10 174.51 3k5n s THR 35 N -1.10 -0.33 0.95 3.92 2.01 0.76 -2.52 115.64 119.33 3k5n s THR 35 Ca -0.05 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3k5n s THR 35 Cb -0.09 -0.90 0.16 0.00 0.01 0.00 0.00 72.50 71.69 3k5n s THR 35 CO 0.01 -0.43 1.09 -0.76 -0.69 0.00 0.00 174.62 173.84 3k5n s LEU 36 N 2.32 2.06 0.54 4.42 1.02 -1.00 -0.40 118.68 127.62 3k5n s LEU 36 Ca 0.09 1.56 -0.20 0.00 0.02 0.00 0.00 54.13 55.60 3k5n s LEU 36 Cb -0.15 -3.88 -0.06 0.00 0.02 0.00 0.00 46.19 42.12 3k5n s LEU 36 CO -0.28 -2.99 1.15 0.00 0.02 0.00 0.00 176.35 174.26 3k5n s ALA 37 N -2.82 2.72 0.52 4.21 0.00 -1.26 -4.53 121.76 120.61 3k5n s ALA 37 Ca 0.65 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 53.27 3k5n s ALA 37 Cb -0.20 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 3k5n s ALA 37 CO 0.58 -0.82 1.16 -2.30 0.00 0.00 0.00 175.76 174.38 3k5n n PRO 38 N -1.19 1.41 -4.37 0.00 -0.02 -1.26 -4.88 135.00 124.68 3k5n n PRO 38 Ca 0.11 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 3k5n n PRO 38 Cb 0.50 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 3k5n n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k5n s GLN 39 N -2.59 1.40 0.38 -0.52 -1.52 -1.26 -5.02 119.66 110.54 3k5n s GLN 39 Ca 0.70 -1.66 -0.00 0.00 -1.95 0.00 0.00 55.36 52.45 3k5n s GLN 39 Cb -0.45 -1.11 -0.03 0.00 -0.22 0.00 0.00 33.01 31.20 3k5n s GLN 39 CO 0.51 0.12 0.59 -1.21 -0.25 0.00 0.00 175.29 175.06 3k5n s GLU 40 N -3.68 3.44 0.21 2.91 2.02 -1.26 -4.55 118.70 117.79 3k5n s GLU 40 Ca 0.25 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.01 3k5n s GLU 40 Cb 0.01 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 3k5n s GLU 40 CO 0.09 0.05 0.17 -1.12 0.02 0.00 0.00 175.26 174.47 3k5n s SER 41 N -4.07 5.56 0.02 -0.19 0.01 -0.07 -4.98 113.70 109.98 3k5n s SER 41 Ca 0.42 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.51 3k5n s SER 41 Cb -0.10 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 3k5n s SER 41 CO 0.37 0.02 -0.03 0.54 0.41 0.00 0.00 173.24 174.55 3k5n s VAL 42 N -1.93 0.12 -0.07 3.43 0.11 -1.26 -2.80 120.40 118.00 3k5n s VAL 42 Ca 0.32 -0.86 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 3k5n s VAL 42 Cb -0.09 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3k5n s VAL 42 CO 0.24 -0.47 0.30 0.00 -3.33 0.00 0.00 175.10 171.84 3k5n s ALA 43 N -1.37 -0.74 0.11 1.54 0.00 -1.03 -4.79 121.76 115.48 3k5n s ALA 43 Ca -0.15 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3k5n s ALA 43 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3k5n s ALA 43 CO -0.01 -0.19 0.01 -0.06 0.00 0.00 0.00 175.76 175.51 3k5n s PHE 44 N -0.51 2.98 0.06 0.00 0.08 -0.93 -0.12 117.98 119.54 3k5n s PHE 44 Ca -0.06 -0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.00 3k5n s PHE 44 Cb -0.04 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3k5n s PHE 44 CO 0.02 0.49 -0.13 0.42 -0.10 0.00 0.00 175.22 175.92 3k5n s ILE 45 N -1.39 1.00 0.84 0.64 1.01 0.13 -0.33 121.20 123.10 3k5n s ILE 45 Ca 0.26 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 3k5n s ILE 45 Cb -0.11 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.49 3k5n s ILE 45 CO 0.19 -0.21 1.14 -2.84 0.00 0.00 0.00 174.94 173.21 3k5n s PRO 46 N -1.59 1.60 0.14 2.79 0.02 -1.26 0.33 135.00 137.03 3k5n s PRO 46 Ca -0.03 1.45 -0.18 0.00 0.02 0.00 0.00 61.00 62.27 3k5n s PRO 46 Cb -0.09 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 3k5n s PRO 46 CO 0.02 -2.18 1.76 0.00 -0.33 0.00 0.00 177.00 176.27 3k5n h ALA 47 N -1.39 0.33 -0.09 -1.55 0.00 -0.76 -3.25 119.26 112.55 3k5n h ALA 47 Ca -0.44 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3k5n h ALA 47 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3k5n h ALA 47 CO 0.46 -0.28 -0.02 -0.44 0.00 0.00 0.00 179.25 178.98 3k5n h ASP 48 N 0.26 -0.07 0.00 0.00 3.45 -1.91 -2.15 116.42 116.01 3k5n h ASP 48 Ca 0.12 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3k5n h ASP 48 Cb 0.06 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3k5n h ASP 48 CO -0.10 -0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.55 3k5n n GLN 49 N -5.13 0.33 -0.16 3.56 6.02 -1.22 -2.75 117.38 118.03 3k5n n GLN 49 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 3k5n n GLN 49 Cb 0.07 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3k5n n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k5n h VAL 50 N 0.00 1.22 -0.10 5.09 2.07 -1.48 0.62 116.25 123.67 3k5n h VAL 50 Ca 0.00 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3k5n h VAL 50 Cb 0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3k5n h VAL 50 CO 0.00 0.26 0.06 -0.65 0.02 0.00 0.00 177.57 177.26 3k5n h PRO 51 N 0.60 0.14 -0.72 1.57 0.11 -1.74 0.45 132.00 132.40 3k5n h PRO 51 Ca 0.15 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3k5n h PRO 51 Cb 0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3k5n h PRO 51 CO -0.01 0.16 0.38 0.00 -0.21 0.00 0.00 178.00 178.32 3k5n h ARG 52 N 0.08 1.01 -0.61 1.05 3.08 -1.71 -2.87 114.38 114.41 3k5n h ARG 52 Ca 0.04 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3k5n h ARG 52 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3k5n h ARG 52 CO -0.01 0.75 0.19 0.00 -1.07 0.00 0.00 179.97 179.84 3k5n h ALA 53 N 1.40 0.79 0.00 0.04 0.00 0.13 -2.19 119.26 119.43 3k5n h ALA 53 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k5n h ALA 53 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k5n h ALA 53 CO -0.04 0.46 0.00 1.96 0.00 0.00 0.00 179.25 181.63 3k5n h GLN 54 N 0.86 0.00 -0.09 0.00 4.20 0.05 -2.67 115.11 117.46 3k5n h GLN 54 Ca 0.20 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.69 3k5n h GLN 54 Cb 0.29 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.07 3k5n h GLN 54 CO -0.01 0.00 -0.81 0.45 -0.67 0.00 0.00 178.83 177.79 3k5n h HIS 55 N 0.00 0.83 -0.42 2.96 3.86 -1.21 -2.92 115.15 118.26 3k5n h HIS 55 Ca 0.00 -0.39 -0.07 0.00 -1.16 0.00 0.00 60.37 58.75 3k5n h HIS 55 Cb 0.60 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3k5n h HIS 55 CO 0.00 1.19 -0.01 0.82 0.86 0.00 0.00 177.93 180.79 3k5n h ILE 56 N 0.40 1.26 -2.68 2.45 2.04 -1.10 -3.14 117.51 116.74 3k5n h ILE 56 Ca -0.06 -1.05 -0.80 0.00 1.00 0.00 0.00 64.86 63.96 3k5n h ILE 56 Cb 1.42 1.11 -0.26 0.00 -0.74 0.00 0.00 36.82 38.35 3k5n h ILE 56 CO 0.15 0.36 0.98 0.18 0.00 0.00 0.00 178.15 179.82 3k5n n LEU 57 N -4.41 6.46 -4.67 1.44 4.77 -1.04 -4.97 117.00 114.59 3k5n n LEU 57 Ca -0.01 -5.12 -0.36 0.00 -0.03 0.00 0.00 56.01 50.49 3k5n n LEU 57 Cb 0.30 -1.31 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 3k5n n LEU 57 CO 0.41 1.64 -0.18 -1.58 -1.33 0.00 0.00 177.39 176.35 3k5n s GLN 58 N -2.27 4.08 -1.18 3.23 2.00 -1.11 -4.39 119.66 120.02 3k5n s GLN 58 Ca 0.32 -0.27 -0.00 0.00 -2.00 0.00 0.00 55.36 53.41 3k5n s GLN 58 Cb 0.05 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.38 3k5n s GLN 58 CO 0.09 0.12 0.01 0.41 -0.50 0.00 0.00 175.29 175.42 3k5n n GLY 59 N 4.09 -0.20 0.00 2.59 0.00 -1.26 -4.99 105.19 105.42 3k5n n GLY 59 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3k5n n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k5n n GLU 60 N -2.34 2.02 -2.42 1.61 -0.58 -1.26 -5.14 120.64 112.53 3k5n n GLU 60 Ca -0.16 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.59 3k5n n GLU 60 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 3k5n n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k5n n GLN 61 N -0.25 0.01 -0.82 3.49 10.64 -1.26 -4.91 117.38 124.28 3k5n n GLN 61 Ca 0.00 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 3k5n n GLN 61 Cb 0.00 0.24 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 3k5n n GLN 61 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3k5n n GLY 62 N -0.22 0.53 3.12 2.61 0.00 -1.26 -5.02 105.19 104.95 3k5n n GLY 62 Ca 0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3k5n n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k5n s PHE 63 N -2.00 0.78 -0.03 1.61 -0.12 -1.26 -3.95 117.98 113.02 3k5n s PHE 63 Ca 0.00 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.17 3k5n s PHE 63 Cb 0.00 -0.46 0.03 0.00 -0.63 0.00 0.00 43.02 41.96 3k5n s PHE 63 CO 0.00 -0.12 0.02 0.50 -0.05 0.00 0.00 175.22 175.57 3k5n s ARG 64 N -2.72 0.15 -0.08 1.99 3.00 0.70 -4.94 118.95 117.04 3k5n s ARG 64 Ca 0.01 0.14 0.03 0.00 -1.00 0.00 0.00 55.73 54.92 3k5n s ARG 64 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 34.95 34.53 3k5n s ARG 64 CO -0.02 -0.17 -0.19 -1.17 0.00 0.00 0.00 175.30 173.75 3k5n s LEU 65 N 1.14 1.91 0.17 -0.88 0.20 -1.26 -0.31 118.68 119.65 3k5n s LEU 65 Ca -0.08 -0.45 -0.20 0.00 0.69 0.00 0.00 54.13 54.09 3k5n s LEU 65 Cb -0.13 -1.16 0.05 0.00 -0.43 0.00 0.00 46.19 44.52 3k5n s LEU 65 CO -0.02 0.11 0.56 0.28 -0.29 0.00 0.00 176.35 176.98 3k5n s THR 66 N 0.44 0.02 0.79 3.68 -1.32 -0.88 -4.95 115.64 113.41 3k5n s THR 66 Ca -0.16 -0.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.88 3k5n s THR 66 Cb -0.17 -1.21 0.07 0.00 -1.51 0.00 0.00 72.50 69.68 3k5n s THR 66 CO 0.07 -0.09 1.10 -2.84 -2.21 0.00 0.00 174.62 170.65 3k5n s PRO 67 N -3.80 2.10 -0.08 7.08 0.02 -1.26 0.38 135.00 139.44 3k5n s PRO 67 Ca 0.04 1.24 -0.20 0.00 0.02 0.00 0.00 61.00 62.09 3k5n s PRO 67 Cb -0.01 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.68 3k5n s PRO 67 CO -0.10 -1.77 0.47 -0.51 -0.33 0.00 0.00 177.00 174.76 3k5n s LEU 68 N -5.98 0.19 0.00 -5.54 1.43 -1.23 -4.71 118.68 102.85 3k5n s LEU 68 Ca 0.62 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3k5n s LEU 68 Cb -0.18 1.76 -0.21 0.00 0.03 0.00 0.00 46.19 47.59 3k5n s LEU 68 CO 0.56 -0.41 2.93 0.00 0.23 0.00 0.00 176.35 179.65 3k5n n ALA 69 N 1.64 5.17 -2.57 4.21 0.00 -1.26 -4.49 120.51 123.21 3k5n n ALA 69 Ca -0.18 -1.42 -0.26 0.00 0.00 0.00 0.00 53.44 51.57 3k5n n ALA 69 Cb 0.56 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 3k5n n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5n s LEU 70 N 0.00 2.76 0.14 0.00 1.02 -1.26 -4.89 118.68 116.45 3k5n s LEU 70 Ca 0.52 -1.30 -0.07 0.00 0.02 0.00 0.00 54.13 53.30 3k5n s LEU 70 Cb 0.25 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 3k5n s LEU 70 CO 0.00 -0.36 0.21 -0.54 0.02 0.00 0.00 176.35 175.68 3k5n s LYS 71 N -3.69 1.03 1.28 1.70 1.02 -1.09 -2.70 119.74 117.29 3k5n s LYS 71 Ca 0.34 -1.18 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3k5n s LYS 71 Cb 0.07 0.34 0.31 0.00 -0.52 0.00 0.00 37.83 38.03 3k5n s LYS 71 CO 0.17 -0.35 1.06 -0.51 -0.92 0.00 0.00 175.35 174.80 3k5n s ASP 72 N -2.96 0.26 0.00 2.83 1.01 -0.91 -0.86 116.67 116.03 3k5n s ASP 72 Ca 0.16 0.67 0.26 0.00 0.71 0.00 0.00 52.55 54.35 3k5n s ASP 72 Cb 0.05 -0.93 0.99 0.00 1.01 0.00 0.00 42.92 44.04 3k5n s ASP 72 CO -0.02 -4.54 1.70 0.49 0.21 0.00 0.00 175.17 173.02 3k5n n PHE 73 N -5.05 0.06 0.90 4.23 0.99 -1.26 -2.14 117.46 115.18 3k5n n PHE 73 Ca 0.13 -0.03 0.10 0.00 -0.00 0.00 0.00 57.45 57.66 3k5n n PHE 73 Cb 0.60 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 39.13 3k5n n PHE 73 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3k5n n HIS 74 N 0.17 0.00 -0.98 1.38 8.25 -1.26 -4.95 115.22 117.83 3k5n n HIS 74 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3k5n n HIS 74 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3k5n n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k5n n ARG 75 N 0.65 0.00 -4.05 -0.41 5.12 -0.91 -5.03 116.66 112.03 3k5n n ARG 75 Ca 0.11 0.47 -0.35 0.00 -1.93 0.00 0.00 57.85 56.15 3k5n n ARG 75 Cb 0.49 -3.82 -0.12 0.00 -1.16 0.00 0.00 32.46 27.85 3k5n n ARG 75 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3k5n s GLN 76 N -1.95 3.72 0.32 5.56 -1.52 -1.26 -4.76 119.66 119.76 3k5n s GLN 76 Ca 0.00 -0.47 -0.25 0.00 -1.95 0.00 0.00 55.36 52.69 3k5n s GLN 76 Cb 0.00 -3.13 -0.15 0.00 -0.22 0.00 0.00 33.01 29.51 3k5n s GLN 76 CO 0.00 0.07 0.51 -2.30 -0.25 0.00 0.00 175.29 173.32 3k5n n PRO 77 N 4.09 0.37 -4.42 2.91 -0.02 -1.26 -2.15 135.00 134.53 3k5n n PRO 77 Ca -0.17 0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.19 3k5n n PRO 77 Cb 0.52 -1.28 -0.09 0.00 -0.02 0.00 0.00 33.50 32.63 3k5n n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k5n s VAL 78 N -1.29 2.42 0.12 -1.45 -7.23 -1.10 -0.09 120.40 111.78 3k5n s VAL 78 Ca 0.62 -2.03 0.10 0.00 -1.81 0.00 0.00 61.98 58.86 3k5n s VAL 78 Cb -0.74 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 3k5n s VAL 78 CO 0.59 -0.17 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.68 3k5n s TYR 79 N -2.57 2.44 -0.17 2.82 4.12 0.99 -3.49 117.35 121.48 3k5n s TYR 79 Ca 0.34 -0.31 -0.06 0.00 0.02 0.00 0.00 57.07 57.06 3k5n s TYR 79 Cb 0.02 -1.31 -0.03 0.00 -1.52 0.00 0.00 41.96 39.12 3k5n s TYR 79 CO 0.19 0.36 0.02 0.20 0.02 0.00 0.00 175.55 176.33 3k5n s GLY 80 N -2.07 1.82 -0.26 0.71 0.00 0.16 0.17 107.32 107.85 3k5n s GLY 80 Ca 0.16 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 44.04 3k5n s GLY 80 CO 0.08 -0.01 0.06 -2.27 0.00 0.00 0.00 173.10 170.96 3k5n s LEU 81 N 0.34 3.50 -0.06 0.66 2.96 0.83 -2.08 118.68 124.82 3k5n s LEU 81 Ca -0.00 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 3k5n s LEU 81 Cb -0.13 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3k5n s LEU 81 CO 0.01 -0.08 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.43 3k5n s TYR 82 N 1.56 2.52 0.09 5.38 2.02 0.58 -2.46 117.35 127.04 3k5n s TYR 82 Ca 0.05 -0.61 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 3k5n s TYR 82 Cb -0.16 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3k5n s TYR 82 CO 0.02 -0.14 -0.11 0.00 -1.57 0.00 0.00 175.55 173.75 3k5n n ARG 84 N 0.72 1.22 -3.90 0.00 0.63 -1.25 -0.90 116.66 113.18 3k5n n ARG 84 Ca -0.17 -0.92 -0.35 0.00 -0.92 0.00 0.00 57.85 55.48 3k5n n ARG 84 Cb 0.57 -1.48 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 3k5n n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k5n s ALA 85 N -2.42 2.81 0.27 5.13 0.00 -1.26 -3.20 121.76 123.09 3k5n s ALA 85 Ca 0.22 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 3k5n s ALA 85 Cb 0.19 -1.86 0.34 0.00 0.00 0.00 0.00 23.12 21.79 3k5n s ALA 85 CO 0.52 -1.00 1.92 1.25 0.00 0.00 0.00 175.76 178.45 3k5n h HIS 86 N 8.05 1.12 -0.26 0.00 2.76 -1.90 -2.05 115.15 122.87 3k5n h HIS 86 Ca -0.28 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.86 3k5n h HIS 86 Cb 1.09 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3k5n h HIS 86 CO 0.60 0.74 0.05 0.07 -1.30 0.00 0.00 177.93 178.08 3k5n h ARG 87 N 1.17 0.37 0.05 5.26 0.11 -1.98 0.15 114.38 119.51 3k5n h ARG 87 Ca 0.31 -0.05 -0.26 0.00 0.10 0.00 0.00 59.98 60.07 3k5n h ARG 87 Cb -0.05 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 30.98 3k5n h ARG 87 CO -0.06 0.37 -1.08 -0.56 0.10 0.00 0.00 179.97 178.73 3k5n h GLN 88 N 0.37 0.52 -0.76 0.08 3.07 -1.87 -1.65 115.11 114.87 3k5n h GLN 88 Ca 0.09 -0.62 0.10 0.00 0.09 0.00 0.00 58.65 58.31 3k5n h GLN 88 Cb 0.18 0.19 -0.08 0.00 0.08 0.00 0.00 27.48 27.85 3k5n h GLN 88 CO -0.00 1.24 0.38 1.25 0.09 0.00 0.00 178.83 181.80 3k5n h LEU 89 N 0.26 0.50 -0.97 0.06 6.46 -0.69 0.69 115.31 121.61 3k5n h LEU 89 Ca -0.13 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3k5n h LEU 89 Cb 1.74 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.59 3k5n h LEU 89 CO 0.20 0.27 0.62 0.24 -0.62 0.00 0.00 178.44 179.15 3k5n h MET 90 N 0.63 1.09 -0.29 1.25 2.86 -0.63 -1.57 114.93 118.27 3k5n h MET 90 Ca 0.38 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.87 3k5n h MET 90 Cb 0.43 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3k5n h MET 90 CO -0.29 0.72 -0.18 -0.91 1.06 0.00 0.00 176.91 177.32 3k5n h ASN 91 N 1.13 0.52 -0.03 1.22 2.35 0.12 -2.96 115.58 117.93 3k5n h ASN 91 Ca 0.42 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.87 3k5n h ASN 91 Cb 0.17 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3k5n h ASN 91 CO -0.17 0.71 -0.47 1.88 -1.65 0.00 0.00 177.43 177.72 3k5n h TYR 92 N 0.47 0.70 -0.45 1.19 0.05 0.10 -2.97 116.97 116.07 3k5n h TYR 92 Ca 0.08 -0.22 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 3k5n h TYR 92 Cb 0.58 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3k5n h TYR 92 CO 0.02 0.94 -0.23 1.05 -1.05 0.00 0.00 178.16 178.89 3k5n h GLU 93 N 0.46 0.94 -0.20 4.88 4.11 -1.30 0.38 114.58 123.85 3k5n h GLU 93 Ca 0.03 -0.42 -0.09 0.00 0.07 0.00 0.00 59.36 58.94 3k5n h GLU 93 Cb 0.99 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3k5n h GLU 93 CO 0.09 1.08 -0.28 1.57 0.07 0.00 0.00 179.01 181.54 3k5n h LYS 94 N 0.78 0.39 -0.49 1.06 2.10 -1.52 0.73 116.57 119.62 3k5n h LYS 94 Ca 0.10 -0.15 -0.10 0.00 -2.00 0.00 0.00 60.65 58.49 3k5n h LYS 94 Cb 0.80 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 3k5n h LYS 94 CO 0.07 0.64 -0.09 0.00 -2.00 0.00 0.00 179.45 178.07 3k5n h ARG 95 N 0.35 0.93 -0.57 0.07 3.08 -1.32 0.37 114.38 117.29 3k5n h ARG 95 Ca 0.05 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 3k5n h ARG 95 Cb 0.68 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3k5n h ARG 95 CO 0.05 1.00 0.17 -0.07 -1.07 0.00 0.00 179.97 180.06 3k5n h LEU 96 N 0.79 0.83 -0.42 3.04 4.07 0.11 -0.63 115.31 123.10 3k5n h LEU 96 Ca 0.13 -0.21 -0.15 0.00 0.08 0.00 0.00 57.88 57.73 3k5n h LEU 96 Cb 0.64 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3k5n h LEU 96 CO 0.04 0.82 -0.32 0.03 -1.08 0.00 0.00 178.44 177.94 3k5n h ARG 97 N 0.80 0.95 0.00 1.13 3.08 0.64 0.91 114.38 121.89 3k5n h ARG 97 Ca 0.18 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3k5n h ARG 97 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3k5n h ARG 97 CO -0.00 1.13 -0.03 0.93 -1.07 0.00 0.00 179.97 180.93 3k5n h GLU 98 N 0.78 0.00 -0.51 0.04 5.08 0.03 -0.50 114.58 119.49 3k5n h GLU 98 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3k5n h GLU 98 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3k5n h GLU 98 CO 0.08 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 3k5n n GLY 99 N -1.19 1.41 1.15 -3.84 0.00 -0.27 -4.90 105.19 97.55 3k5n n GLY 99 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3k5n n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5n n GLY 100 N 1.21 0.67 3.49 -0.02 0.00 -0.20 -5.05 105.19 105.30 3k5n n GLY 100 Ca 0.17 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3k5n n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5n s VAL 101 N -2.00 4.02 0.01 1.61 1.01 0.26 -5.00 120.40 120.31 3k5n s VAL 101 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3k5n s VAL 101 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3k5n s VAL 101 CO 0.00 0.46 1.05 -0.89 0.00 0.00 0.00 175.10 175.72 3k5n s THR 102 N 0.62 4.62 0.12 3.92 2.01 -1.26 -3.56 115.64 122.11 3k5n s THR 102 Ca -0.01 1.88 0.11 0.00 0.31 0.00 0.00 61.69 63.98 3k5n s THR 102 Cb -0.14 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3k5n s THR 102 CO 0.02 0.14 -0.27 0.68 -0.69 0.00 0.00 174.62 174.50 3k5n s VAL 103 N 1.09 2.22 0.08 3.82 -7.23 -1.26 -4.28 120.40 114.84 3k5n s VAL 103 Ca 0.54 -1.70 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 3k5n s VAL 103 Cb -0.23 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3k5n s VAL 103 CO 0.28 0.12 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.62 3k5n s TYR 104 N -1.03 2.35 -1.50 2.82 2.02 0.56 -4.63 117.35 117.94 3k5n s TYR 104 Ca 0.13 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3k5n s TYR 104 Cb -0.10 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 3k5n s TYR 104 CO 0.05 0.23 0.37 0.39 -1.57 0.00 0.00 175.55 175.03 3k5n n GLU 105 N 1.37 -3.57 0.13 -0.62 1.02 -1.26 -2.20 120.64 115.51 3k5n n GLU 105 Ca -0.17 0.82 0.12 0.00 -0.02 0.00 0.00 57.16 57.91 3k5n n GLU 105 Cb 0.52 -5.58 0.47 0.00 -0.02 0.00 0.00 31.44 26.84 3k5n n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k5n n ALA 106 N -3.03 1.81 0.78 0.62 0.00 -1.26 -3.31 120.51 116.12 3k5n n ALA 106 Ca -0.13 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3k5n n ALA 106 Cb 0.62 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.87 3k5n n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k5n n ASP 107 N -2.25 0.58 -4.63 0.00 5.75 -1.26 -4.87 116.55 109.86 3k5n n ASP 107 Ca 0.03 -0.07 -0.43 0.00 -0.01 0.00 0.00 54.79 54.32 3k5n n ASP 107 Cb 0.28 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 3k5n n ASP 107 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k5n s VAL 108 N -3.09 4.55 0.71 2.12 0.11 -1.21 -4.98 120.40 118.61 3k5n s VAL 108 Ca 0.08 1.65 -0.16 0.00 -2.93 0.00 0.00 61.98 60.62 3k5n s VAL 108 Cb 0.16 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 3k5n s VAL 108 CO 0.71 -0.45 0.99 0.54 -3.33 0.00 0.00 175.10 173.56 3k5n n ARG 109 N 6.77 0.58 0.09 1.54 5.12 -1.26 -4.80 116.66 124.70 3k5n n ARG 109 Ca 0.11 0.25 -0.12 0.00 -1.93 0.00 0.00 57.85 56.16 3k5n n ARG 109 Cb 0.47 -2.24 -0.05 0.00 -1.16 0.00 0.00 32.46 29.48 3k5n n ARG 109 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3k5n h PRO 110 N -0.14 -0.35 -0.87 5.56 0.11 -1.98 -2.53 132.00 131.80 3k5n h PRO 110 Ca -0.48 0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.84 3k5n h PRO 110 Cb 1.34 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.42 3k5n h PRO 110 CO 0.48 -0.23 0.41 -1.35 -0.21 0.00 0.00 178.00 177.10 3k5n h PRO 111 N -0.36 0.49 -0.05 1.05 0.11 -1.93 -2.18 132.00 129.12 3k5n h PRO 111 Ca 0.04 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 3k5n h PRO 111 Cb 0.40 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3k5n h PRO 111 CO -0.13 0.32 -0.75 0.93 -0.21 0.00 0.00 178.00 178.16 3k5n h GLU 112 N 0.50 0.32 -0.82 1.05 3.07 -1.90 -1.83 114.58 114.97 3k5n h GLU 112 Ca 0.51 -0.27 0.04 0.00 -0.50 0.00 0.00 59.36 59.14 3k5n h GLU 112 Cb 0.86 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.78 3k5n h GLU 112 CO -0.45 0.93 0.52 -0.09 -1.40 0.00 0.00 179.01 178.52 3k5n h ARG 113 N 0.21 0.96 0.65 2.33 2.43 -0.97 1.38 114.38 121.37 3k5n h ARG 113 Ca -0.03 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3k5n h ARG 113 Cb 1.32 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3k5n h ARG 113 CO 0.12 0.63 -0.31 -0.92 -1.51 0.00 0.00 179.97 177.99 3k5n h TYR 114 N 0.99 -0.80 -0.07 2.20 3.20 -1.31 -1.48 116.97 119.69 3k5n h TYR 114 Ca 0.34 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3k5n h TYR 114 Cb 0.06 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3k5n h TYR 114 CO -0.03 -0.50 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.86 3k5n h LEU 115 N -0.87 -0.19 -0.94 2.82 3.38 -1.13 -1.52 115.31 116.86 3k5n h LEU 115 Ca -0.09 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.07 3k5n h LEU 115 Cb 0.67 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 3k5n h LEU 115 CO 0.15 -0.09 -0.37 -0.03 0.09 0.00 0.00 178.44 178.19 3k5n h MET 116 N -0.08 -0.02 -0.02 1.13 4.05 0.19 -0.17 114.93 120.02 3k5n h MET 116 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3k5n h MET 116 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3k5n h MET 116 CO -0.12 -0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.40 3k5n n GLU 117 N -5.48 1.49 0.00 0.39 -0.58 -0.56 -2.51 120.64 113.38 3k5n n GLU 117 Ca 0.10 -0.71 0.11 0.00 -0.42 0.00 0.00 57.16 56.23 3k5n n GLU 117 Cb 0.40 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 3k5n n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3k5n n ARG 118 N -0.13 1.71 -1.92 3.49 5.12 -0.23 -4.95 116.66 119.75 3k5n n ARG 118 Ca 0.20 -1.39 -0.08 0.00 -1.93 0.00 0.00 57.85 54.65 3k5n n ARG 118 Cb 0.29 -1.43 -0.01 0.00 -1.16 0.00 0.00 32.46 30.15 3k5n n ARG 118 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3k5n n PHE 119 N 0.60 -0.27 -3.83 -1.55 3.72 -0.49 -4.51 117.46 111.13 3k5n n PHE 119 Ca 0.11 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.19 3k5n n PHE 119 Cb 0.50 -1.96 -0.04 0.00 -0.94 0.00 0.00 39.48 37.04 3k5n n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k5n s ILE 120 N -2.35 5.32 0.00 4.37 1.01 -0.29 -4.84 121.20 124.41 3k5n s ILE 120 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3k5n s ILE 120 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3k5n s ILE 120 CO 0.00 0.16 0.00 0.35 0.00 0.00 0.00 174.94 175.45 3k5n n THR 121 N 0.41 0.00 0.00 2.92 -2.24 -1.26 -4.31 114.28 109.79 3k5n n THR 121 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3k5n n THR 121 Cb 0.52 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3k5n n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k5n n SER 122 N 0.00 4.17 -4.74 3.42 7.64 -1.26 -4.85 113.62 118.00 3k5n n SER 122 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 3k5n n SER 122 Cb 0.00 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3k5n n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k5n s PRO 123 N -1.90 4.77 0.26 1.43 0.02 -1.26 0.80 135.00 139.12 3k5n s PRO 123 Ca 0.00 1.46 -0.06 0.00 0.02 0.00 0.00 61.00 62.43 3k5n s PRO 123 Cb 0.00 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3k5n s PRO 123 CO 0.00 0.36 0.37 0.14 -0.33 0.00 0.00 177.00 177.55 3k5n s VAL 124 N -0.57 0.00 -0.04 3.83 -7.23 -0.53 -1.89 120.40 113.97 3k5n s VAL 124 Ca 0.44 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 3k5n s VAL 124 Cb -0.25 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3k5n s VAL 124 CO 0.31 0.00 -0.23 0.26 -0.31 0.00 0.00 175.10 175.12 3k5n s TRP 125 N -3.77 2.20 -0.09 2.82 0.52 0.10 -1.59 118.94 119.14 3k5n s TRP 125 Ca 0.30 -0.56 0.02 0.00 0.02 0.00 0.00 56.10 55.88 3k5n s TRP 125 Cb 0.02 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 3k5n s TRP 125 CO 0.14 -0.14 -0.14 0.54 0.02 0.00 0.00 176.95 177.37 3k5n s VAL 126 N -0.30 1.32 0.07 4.03 0.11 0.77 -2.40 120.40 124.01 3k5n s VAL 126 Ca 0.02 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 3k5n s VAL 126 Cb -0.12 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 3k5n s VAL 126 CO 0.02 0.40 0.02 -1.61 -3.33 0.00 0.00 175.10 170.60 3k5n s GLU 127 N 0.84 2.67 0.00 1.54 2.02 -0.98 -1.48 118.70 123.31 3k5n s GLU 127 Ca -0.11 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3k5n s GLU 127 Cb -0.15 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3k5n s GLU 127 CO 0.01 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3k5n n GLY 128 N 0.68 0.92 3.05 -1.39 0.00 -1.26 -1.78 105.19 105.40 3k5n n GLY 128 Ca -0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 3k5n n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k5n s ASP 129 N -0.43 3.29 -0.48 1.61 -1.08 -0.37 -2.92 116.67 116.29 3k5n s ASP 129 Ca 0.00 -0.79 -0.26 0.00 -0.52 0.00 0.00 52.55 50.98 3k5n s ASP 129 Cb 0.00 -1.34 0.03 0.00 -1.46 0.00 0.00 42.92 40.15 3k5n s ASP 129 CO 0.00 -0.09 0.97 -0.32 0.52 0.00 0.00 175.17 176.25 3k5n s MET 130 N 1.34 3.52 -0.19 4.34 -2.45 -1.26 0.55 119.30 125.16 3k5n s MET 130 Ca 0.01 0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 3k5n s MET 130 Cb -0.15 -3.95 0.04 0.00 1.25 0.00 0.00 34.83 32.02 3k5n s MET 130 CO -0.10 -1.31 -0.10 -1.58 1.05 0.00 0.00 175.02 172.98 3k5n s HIS 131 N 3.94 2.30 -1.54 4.11 2.46 0.96 -4.79 115.29 122.72 3k5n s HIS 131 Ca 0.38 -1.48 -0.03 0.00 0.47 0.00 0.00 55.06 54.39 3k5n s HIS 131 Cb -0.10 -1.59 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 3k5n s HIS 131 CO 0.26 -0.72 0.43 0.09 -2.47 0.00 0.00 174.74 172.33 3k5n n ASN 132 N 4.72 -5.88 0.00 9.88 4.13 -1.26 -2.69 115.26 124.16 3k5n n ASN 132 Ca -0.15 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3k5n n ASN 132 Cb 0.47 -4.75 0.00 0.00 -1.54 0.00 0.00 39.78 33.96 3k5n n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k5n n GLY 133 N -1.37 0.75 3.21 7.41 0.00 -1.26 -5.03 105.19 108.90 3k5n n GLY 133 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3k5n n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5n s THR 134 N -2.78 1.37 -0.08 2.61 2.01 -1.09 -4.31 115.64 113.36 3k5n s THR 134 Ca 0.00 -1.32 -0.12 0.00 0.31 0.00 0.00 61.69 60.57 3k5n s THR 134 Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 3k5n s THR 134 CO 0.00 -0.08 0.28 -0.63 -0.69 0.00 0.00 174.62 173.50 3k5n s ILE 135 N -1.11 5.27 0.25 1.82 1.01 -0.70 -0.03 121.20 127.71 3k5n s ILE 135 Ca 0.02 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.30 3k5n s ILE 135 Cb -0.09 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3k5n s ILE 135 CO 0.03 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 3k5n s VAL 136 N -0.64 1.91 -1.60 2.92 1.01 0.19 -0.17 120.40 124.02 3k5n s VAL 136 Ca 0.19 -2.23 -0.14 0.00 0.00 0.00 0.00 61.98 59.79 3k5n s VAL 136 Cb -0.14 -2.23 0.11 0.00 0.00 0.00 0.00 36.38 34.11 3k5n s VAL 136 CO 0.08 -0.46 0.78 0.59 0.00 0.00 0.00 175.10 176.08 3k5n n ASN 137 N -0.51 -3.15 -4.89 3.32 3.02 0.46 -1.24 115.26 112.28 3k5n n ASN 137 Ca -0.07 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 3k5n n ASN 137 Cb 0.61 -3.14 0.03 0.00 -0.61 0.00 0.00 39.78 36.68 3k5n n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k5n s ALA 138 N -3.41 3.01 -0.09 5.41 0.00 -1.17 -4.50 121.76 121.00 3k5n s ALA 138 Ca 0.58 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 3k5n s ALA 138 Cb -0.31 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3k5n s ALA 138 CO 0.89 -0.97 0.23 1.03 0.00 0.00 0.00 175.76 176.94 3k5n s ARG 139 N -5.25 0.26 -0.01 0.00 0.52 -0.73 -4.11 118.95 109.63 3k5n s ARG 139 Ca 0.56 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 3k5n s ARG 139 Cb -0.11 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 3k5n s ARG 139 CO 0.51 -0.04 -0.12 -0.51 0.02 0.00 0.00 175.30 175.16 3k5n s LEU 140 N 0.21 2.90 0.06 2.53 1.02 -1.26 -2.32 118.68 121.81 3k5n s LEU 140 Ca -0.01 -0.21 0.05 0.00 0.02 0.00 0.00 54.13 53.98 3k5n s LEU 140 Cb -0.02 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 3k5n s LEU 140 CO -0.00 0.31 -0.14 -0.75 0.02 0.00 0.00 176.35 175.78 3k5n s LYS 141 N -1.13 0.85 0.68 1.70 2.20 -1.01 -4.96 119.74 118.07 3k5n s LYS 141 Ca 0.14 -0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 54.73 3k5n s LYS 141 Cb -0.11 -0.86 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 3k5n s LYS 141 CO 0.04 0.20 1.11 -2.14 -0.36 0.00 0.00 175.35 174.20 3k5n s PRO 142 N -1.51 2.70 -0.18 4.03 0.02 -1.26 -0.72 135.00 138.08 3k5n s PRO 142 Ca -0.01 1.38 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 3k5n s PRO 142 Cb -0.09 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 3k5n s PRO 142 CO 0.02 -1.32 -0.11 -1.58 -0.33 0.00 0.00 177.00 173.67 3k5n s HIS 143 N -2.39 2.86 0.16 6.54 2.46 -0.79 -4.58 115.29 119.55 3k5n s HIS 143 Ca 0.67 -1.01 -0.17 0.00 0.47 0.00 0.00 55.06 55.01 3k5n s HIS 143 Cb -0.20 -1.97 0.09 0.00 -0.13 0.00 0.00 32.58 30.37 3k5n s HIS 143 CO 0.43 -0.50 1.66 -1.35 -2.47 0.00 0.00 174.74 172.52 3k5n h PRO 144 N 7.59 -0.02 -1.34 2.88 0.11 -1.96 -3.38 132.00 135.88 3k5n h PRO 144 Ca -0.37 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.31 3k5n h PRO 144 Cb 1.17 0.01 -0.30 0.00 0.11 0.00 0.00 31.00 31.99 3k5n h PRO 144 CO 0.59 -0.02 -0.88 -0.40 -0.21 0.00 0.00 178.00 177.09 3k5n n ASP 145 N -5.31 -0.99 -4.57 -2.05 5.68 -1.26 -5.09 116.55 102.96 3k5n n ASP 145 Ca 0.02 -2.88 -0.32 0.00 -0.50 0.00 0.00 54.79 51.11 3k5n n ASP 145 Cb 0.23 0.25 -0.11 0.00 -1.14 0.00 0.00 41.12 40.35 3k5n n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3k5n s TYR 146 N -0.43 2.84 -0.08 2.11 5.04 -1.26 -5.08 117.35 120.49 3k5n s TYR 146 Ca 0.34 -0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.87 3k5n s TYR 146 Cb 0.18 -1.61 0.05 0.00 0.35 0.00 0.00 41.96 40.92 3k5n s TYR 146 CO -0.16 0.34 0.18 1.03 -1.34 0.00 0.00 175.55 175.60 3k5n s ARG 147 N -1.28 0.10 0.76 4.97 1.81 -1.26 -4.80 118.95 119.25 3k5n s ARG 147 Ca 0.16 0.50 -0.07 0.00 -1.72 0.00 0.00 55.73 54.59 3k5n s ARG 147 Cb -0.11 -0.19 0.11 0.00 -0.45 0.00 0.00 34.95 34.31 3k5n s ARG 147 CO 0.06 -0.22 1.08 -1.25 -0.68 0.00 0.00 175.30 174.28 3k5n s PRO 148 N 1.67 1.74 -0.15 3.54 0.04 -1.26 -5.07 135.00 135.51 3k5n s PRO 148 Ca -0.04 -0.47 -0.06 0.00 0.04 0.00 0.00 61.00 60.46 3k5n s PRO 148 Cb -0.12 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3k5n s PRO 148 CO -0.07 -1.54 0.06 -1.25 0.04 0.00 0.00 177.00 174.24 3k5n s PRO 149 N -5.36 3.64 0.26 0.56 0.04 -1.26 -5.10 135.00 127.78 3k5n s PRO 149 Ca 0.64 -0.32 0.11 0.00 0.04 0.00 0.00 61.00 61.47 3k5n s PRO 149 Cb -0.08 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3k5n s PRO 149 CO 0.46 0.47 -0.18 -0.51 0.04 0.00 0.00 177.00 177.28 3k5n s LEU 150 N -0.19 2.59 -0.14 -3.56 2.01 -1.26 -4.87 118.68 113.26 3k5n s LEU 150 Ca 0.07 -1.04 0.02 0.00 0.01 0.00 0.00 54.13 53.20 3k5n s LEU 150 Cb -0.12 -0.99 0.00 0.00 0.01 0.00 0.00 46.19 45.09 3k5n s LEU 150 CO 0.01 -0.02 -0.20 -0.54 1.01 0.00 0.00 176.35 176.61 3k5n s LYS 151 N -3.55 3.10 0.43 1.70 1.02 -1.26 -4.97 119.74 116.21 3k5n s LYS 151 Ca 0.28 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.53 3k5n s LYS 151 Cb -0.04 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3k5n s LYS 151 CO 0.13 0.03 0.31 -1.58 -0.92 0.00 0.00 175.35 173.32 3k5n s TRP 152 N 0.73 2.57 -0.02 3.18 0.51 -1.26 0.35 118.94 125.01 3k5n s TRP 152 Ca -0.08 -0.56 -0.00 0.00 -2.12 0.00 0.00 56.10 53.34 3k5n s TRP 152 Cb -0.16 -2.08 0.02 0.00 -0.81 0.00 0.00 33.47 30.44 3k5n s TRP 152 CO 0.00 -0.05 0.03 0.54 -0.51 0.00 0.00 176.95 176.96 3k5n s VAL 153 N -2.55 -0.03 -0.12 4.03 0.11 -0.88 -2.49 120.40 118.47 3k5n s VAL 153 Ca 0.44 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.57 3k5n s VAL 153 Cb -0.01 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 3k5n s VAL 153 CO 0.25 0.05 0.07 -0.55 -3.33 0.00 0.00 175.10 171.60 3k5n s SER 154 N 0.65 5.82 0.06 3.54 0.15 0.35 -1.07 113.70 123.21 3k5n s SER 154 Ca -0.05 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.91 3k5n s SER 154 Cb -0.08 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 3k5n s SER 154 CO -0.02 0.35 -0.12 -0.51 1.20 0.00 0.00 173.24 174.14 3k5n s ILE 155 N -0.68 0.95 -0.09 6.45 2.07 -1.06 -1.05 121.20 127.79 3k5n s ILE 155 Ca 0.12 -1.26 -0.28 0.00 -1.41 0.00 0.00 60.65 57.82 3k5n s ILE 155 Cb -0.12 -0.96 0.07 0.00 0.13 0.00 0.00 42.46 41.58 3k5n s ILE 155 CO 0.02 -0.28 0.65 -0.62 -1.91 0.00 0.00 174.94 172.80 3k5n s ASP 156 N -1.73 -0.63 0.03 4.50 2.15 -1.01 -4.63 116.67 115.35 3k5n s ASP 156 Ca -0.04 0.81 0.02 0.00 0.43 0.00 0.00 52.55 53.78 3k5n s ASP 156 Cb -0.10 0.71 -0.02 0.00 -0.30 0.00 0.00 42.92 43.21 3k5n s ASP 156 CO 0.02 -0.51 -0.08 0.27 -0.17 0.00 0.00 175.17 174.69 3k5n s ILE 157 N -0.86 0.58 -0.05 4.11 -4.36 -1.26 -0.55 121.20 118.81 3k5n s ILE 157 Ca -0.09 -0.87 0.05 0.00 -0.26 0.00 0.00 60.65 59.49 3k5n s ILE 157 Cb -0.01 -0.59 -0.02 0.00 1.25 0.00 0.00 42.46 43.08 3k5n s ILE 157 CO 0.08 -0.22 -0.20 -1.61 0.24 0.00 0.00 174.94 173.23 3k5n s GLU 158 N -1.18 2.42 0.35 0.37 0.41 -1.12 -5.01 118.70 114.93 3k5n s GLU 158 Ca -0.06 -0.80 0.05 0.00 -0.41 0.00 0.00 54.97 53.76 3k5n s GLU 158 Cb -0.08 -2.25 -0.02 0.00 -1.78 0.00 0.00 34.13 30.00 3k5n s GLU 158 CO 0.00 0.55 0.35 0.25 -0.49 0.00 0.00 175.26 175.92 3k5n n THR 159 N 2.50 0.00 -0.85 3.63 -2.24 -1.26 -0.95 114.28 115.12 3k5n n THR 159 Ca -0.17 -2.33 -0.28 0.00 -2.27 0.00 0.00 64.05 59.00 3k5n n THR 159 Cb 0.52 1.22 0.22 0.00 -2.10 0.00 0.00 70.33 70.19 3k5n n THR 159 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k5n s THR 160 N -3.24 2.02 0.39 4.28 2.01 0.38 -4.83 115.64 116.64 3k5n s THR 160 Ca 0.38 0.01 0.14 0.00 0.31 0.00 0.00 61.69 62.53 3k5n s THR 160 Cb 0.01 -2.28 0.13 0.00 0.01 0.00 0.00 72.50 70.37 3k5n s THR 160 CO 0.27 -0.01 1.88 0.03 -0.69 0.00 0.00 174.62 176.11 3k5n h ARG 161 N -2.30 0.00 -0.36 4.92 3.08 -1.90 -0.76 114.38 117.05 3k5n h ARG 161 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3k5n h ARG 161 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3k5n h ARG 161 CO 0.54 0.30 0.00 0.72 -1.07 0.00 0.00 179.97 180.47 3k5n n HIS 162 N -4.10 0.48 -0.21 3.04 8.25 -1.26 -4.94 115.22 116.48 3k5n n HIS 162 Ca -0.02 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3k5n n HIS 162 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3k5n n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k5n n GLY 163 N 1.21 1.31 3.75 -1.41 0.00 -0.29 -5.05 105.19 104.71 3k5n n GLY 163 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3k5n n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5n s GLU 164 N -0.45 2.24 0.21 1.61 2.02 -1.26 -4.49 118.70 118.59 3k5n s GLU 164 Ca 0.00 1.32 -0.26 0.00 0.02 0.00 0.00 54.97 56.05 3k5n s GLU 164 Cb 0.00 -1.89 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 3k5n s GLU 164 CO 0.00 -1.68 0.84 -0.51 0.02 0.00 0.00 175.26 173.93 3k5n s LEU 165 N -5.66 4.55 -0.07 1.80 1.02 -1.26 0.14 118.68 119.20 3k5n s LEU 165 Ca 0.64 1.73 -0.00 0.00 0.02 0.00 0.00 54.13 56.52 3k5n s LEU 165 Cb -0.20 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 3k5n s LEU 165 CO 0.51 0.14 -0.06 -1.22 0.02 0.00 0.00 176.35 175.74 3k5n n TYR 166 N 1.32 0.00 -3.76 0.29 4.01 -0.12 -4.81 117.16 114.09 3k5n n TYR 166 Ca -0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 3k5n n TYR 166 Cb 0.49 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3k5n n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k5n s ILE 168 N -3.89 1.12 -0.09 0.00 1.01 -0.48 -2.80 121.20 116.08 3k5n s ILE 168 Ca 0.10 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3k5n s ILE 168 Cb -0.02 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 3k5n s ILE 168 CO -0.00 0.35 -0.20 -0.83 0.00 0.00 0.00 174.94 174.25 3k5n s GLY 169 N 0.51 1.40 -0.10 6.18 0.00 0.29 -0.60 107.32 115.00 3k5n s GLY 169 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.63 3k5n s GLY 169 CO 0.03 -0.46 -0.11 1.08 0.00 0.00 0.00 173.10 173.64 3k5n s LEU 170 N 0.03 1.45 -0.13 0.66 1.43 -0.65 -2.39 118.68 119.08 3k5n s LEU 170 Ca -0.08 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3k5n s LEU 170 Cb -0.15 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.21 3k5n s LEU 170 CO 0.05 -0.04 -0.07 -0.70 0.23 0.00 0.00 176.35 175.81 3k5n s GLU 171 N 1.24 1.55 0.00 1.70 -6.30 -0.21 -2.41 118.70 114.27 3k5n s GLU 171 Ca -0.03 -0.34 0.00 0.00 -2.50 0.00 0.00 54.97 52.09 3k5n s GLU 171 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 34.13 32.26 3k5n s GLU 171 CO -0.03 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.35 3k5n n GLY 172 N 4.91 2.35 3.03 -1.50 0.00 -0.56 0.13 105.19 113.55 3k5n n GLY 172 Ca -0.13 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 3k5n n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5n n GLY 174 N -1.34 -0.41 3.16 0.00 0.00 -1.26 -4.99 105.19 100.34 3k5n n GLY 174 Ca -0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3k5n n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k5n s GLN 175 N -5.20 0.80 -0.46 1.61 -1.52 -0.25 -5.10 119.66 109.55 3k5n s GLN 175 Ca 0.11 -1.24 0.06 0.00 -1.95 0.00 0.00 55.36 52.34 3k5n s GLN 175 Cb -0.05 -0.26 0.21 0.00 -0.22 0.00 0.00 33.01 32.69 3k5n s GLN 175 CO 0.13 0.00 0.64 0.54 -0.25 0.00 0.00 175.29 176.35 3k5n n ARG 176 N 0.23 0.55 -4.38 2.91 1.74 -1.25 -1.50 116.66 114.95 3k5n n ARG 176 Ca -0.14 -2.46 -0.24 0.00 -0.77 0.00 0.00 57.85 54.24 3k5n n ARG 176 Cb 0.60 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 3k5n n ARG 176 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3k5n s ILE 177 N 0.22 2.90 0.08 0.55 2.07 -1.01 -1.86 121.20 124.15 3k5n s ILE 177 Ca 0.32 -2.13 0.05 0.00 -1.41 0.00 0.00 60.65 57.49 3k5n s ILE 177 Cb 0.10 -2.52 -0.03 0.00 0.13 0.00 0.00 42.46 40.15 3k5n s ILE 177 CO -0.15 -0.34 -0.14 -0.69 -1.91 0.00 0.00 174.94 171.71 3k5n s VAL 178 N -2.30 1.11 -0.07 4.00 1.01 -0.44 -1.63 120.40 122.08 3k5n s VAL 178 Ca 0.29 -1.37 0.05 0.00 0.00 0.00 0.00 61.98 60.96 3k5n s VAL 178 Cb -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3k5n s VAL 178 CO 0.16 -0.27 -0.24 -0.31 0.00 0.00 0.00 175.10 174.45 3k5n s TYR 179 N -1.45 2.49 0.32 5.22 2.02 0.23 -1.86 117.35 124.32 3k5n s TYR 179 Ca -0.00 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.07 3k5n s TYR 179 Cb -0.09 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 3k5n s TYR 179 CO 0.02 -0.21 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.08 3k5n s MET 180 N -0.12 1.71 -0.22 -0.62 -1.94 -0.54 -1.38 119.30 116.19 3k5n s MET 180 Ca -0.04 -1.88 -0.08 0.00 -1.71 0.00 0.00 55.69 51.97 3k5n s MET 180 Cb -0.14 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.19 3k5n s MET 180 CO 0.04 0.09 0.09 -1.17 -0.01 0.00 0.00 175.02 174.06 3k5n s LEU 181 N -3.54 3.78 1.19 -0.03 2.96 -1.12 0.18 118.68 122.09 3k5n s LEU 181 Ca 0.31 -0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 3k5n s LEU 181 Cb 0.03 -1.99 0.30 0.00 0.50 0.00 0.00 46.19 45.03 3k5n s LEU 181 CO 0.15 0.08 1.02 -0.83 -1.32 0.00 0.00 176.35 175.45 3k5n s GLY 182 N 0.93 1.53 0.63 7.98 0.00 0.70 -4.75 107.32 114.34 3k5n s GLY 182 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 3k5n s GLY 182 CO 0.03 0.54 1.04 -4.14 0.00 0.00 0.00 173.10 170.56 3k5n s PRO 183 N -4.49 3.40 0.68 2.90 0.02 -1.26 -4.94 135.00 131.30 3k5n s PRO 183 Ca 0.68 0.86 -0.16 0.00 0.02 0.00 0.00 61.00 62.40 3k5n s PRO 183 Cb -0.24 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.23 3k5n s PRO 183 CO 0.64 -0.73 1.21 -2.00 -0.33 0.00 0.00 177.00 175.80 3k5n s GLU 184 N -4.96 2.47 -0.07 5.54 2.12 -1.26 -5.02 118.70 117.51 3k5n s GLU 184 Ca 0.57 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 57.39 3k5n s GLU 184 Cb -0.12 -1.87 0.09 0.00 0.26 0.00 0.00 34.13 32.49 3k5n s GLU 184 CO 0.51 -1.59 0.81 0.54 -0.54 0.00 0.00 175.26 174.99 3k5n s ASN 185 N -1.87 -0.52 0.00 -1.70 4.22 -1.26 -5.06 114.94 108.75 3k5n s ASN 185 Ca 0.76 0.48 0.00 0.00 -2.14 0.00 0.00 52.86 51.95 3k5n s ASN 185 Cb -0.30 0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.68 3k5n s ASN 185 CO 0.41 -0.55 0.00 0.61 -2.04 0.00 0.00 177.10 175.53 3k5n n GLY 186 N 0.63 -1.74 2.99 0.45 0.00 -1.26 -3.66 105.19 102.59 3k5n n GLY 186 Ca -0.15 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3k5n n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k5n s ASP 187 N -4.00 2.46 -0.06 1.61 2.15 -1.26 -5.01 116.67 112.56 3k5n s ASP 187 Ca 0.00 -0.41 0.11 0.00 0.43 0.00 0.00 52.55 52.67 3k5n s ASP 187 Cb 0.00 -1.05 0.29 0.00 -0.30 0.00 0.00 42.92 41.86 3k5n s ASP 187 CO 0.00 -0.06 1.23 0.00 -0.17 0.00 0.00 175.17 176.17 3k5n n ALA 188 N 4.70 2.34 0.23 3.66 0.00 -1.26 -4.61 120.51 125.57 3k5n n ALA 188 Ca -0.16 -1.54 0.06 0.00 0.00 0.00 0.00 53.44 51.80 3k5n n ALA 188 Cb 0.50 -0.41 0.55 0.00 0.00 0.00 0.00 19.45 20.09 3k5n n ALA 188 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3k5n h SER 189 N 1.36 0.00 -0.48 0.00 0.02 -2.01 -3.29 113.55 109.14 3k5n h SER 189 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k5n h SER 189 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3k5n h SER 189 CO 0.05 0.13 0.00 -1.20 -1.14 0.00 0.00 176.83 174.68 3k5n n SER 190 N -4.36 3.90 -4.94 3.07 7.64 -1.26 -5.00 113.62 112.68 3k5n n SER 190 Ca -0.03 -2.41 -0.27 0.00 1.01 0.00 0.00 58.87 57.18 3k5n n SER 190 Cb 0.20 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 3k5n n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k5n s LEU 191 N -1.62 4.33 -0.06 -3.43 1.43 -1.24 -5.00 118.68 113.09 3k5n s LEU 191 Ca 0.39 0.18 0.13 0.00 -1.03 0.00 0.00 54.13 53.80 3k5n s LEU 191 Cb 0.26 -2.91 0.49 0.00 0.03 0.00 0.00 46.19 44.07 3k5n s LEU 191 CO 0.17 0.07 1.36 0.47 0.23 0.00 0.00 176.35 178.65 3k5n n ASP 192 N -0.43 3.30 -4.23 2.29 8.00 -1.26 -4.92 116.55 119.31 3k5n n ASP 192 Ca -0.07 -2.25 -0.13 0.00 0.71 0.00 0.00 54.79 53.05 3k5n n ASP 192 Cb 0.54 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 3k5n n ASP 192 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3k5n s PHE 193 N -1.67 1.23 0.27 1.24 -0.12 -1.26 -5.03 117.98 112.64 3k5n s PHE 193 Ca 0.35 -1.29 -0.26 0.00 -0.05 0.00 0.00 56.93 55.68 3k5n s PHE 193 Cb 0.22 -0.65 -0.09 0.00 -0.63 0.00 0.00 43.02 41.87 3k5n s PHE 193 CO 0.18 -0.52 0.89 -1.21 -0.05 0.00 0.00 175.22 174.50 3k5n s GLU 194 N -4.10 4.58 -0.04 1.99 2.02 -0.78 -5.00 118.70 117.38 3k5n s GLU 194 Ca 0.36 1.26 -0.01 0.00 0.02 0.00 0.00 54.97 56.60 3k5n s GLU 194 Cb 0.07 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.37 3k5n s GLU 194 CO 0.11 0.38 0.03 -1.17 0.02 0.00 0.00 175.26 174.63 3k5n s LEU 195 N -1.77 0.63 -0.08 1.80 2.96 -1.26 -1.33 118.68 119.63 3k5n s LEU 195 Ca 0.46 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3k5n s LEU 195 Cb -0.20 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.31 3k5n s LEU 195 CO 0.25 -0.18 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.35 3k5n s GLU 196 N 1.66 1.12 0.57 1.98 2.12 -0.78 -4.97 118.70 120.41 3k5n s GLU 196 Ca -0.01 -0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.08 3k5n s GLU 196 Cb -0.13 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 3k5n s GLU 196 CO -0.03 -0.19 0.96 0.71 -0.54 0.00 0.00 175.26 176.16 3k5n s TYR 197 N 1.46 3.60 0.03 5.30 2.02 -1.26 -1.47 117.35 127.03 3k5n s TYR 197 Ca -0.01 1.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.87 3k5n s TYR 197 Cb -0.13 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.80 3k5n s TYR 197 CO -0.04 -0.55 -0.07 0.08 -1.57 0.00 0.00 175.55 173.40 3k5n s VAL 198 N -3.02 0.43 0.21 0.71 1.01 0.13 -4.83 120.40 115.04 3k5n s VAL 198 Ca 0.53 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3k5n s VAL 198 Cb -0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3k5n s VAL 198 CO 0.50 -0.37 1.53 0.00 0.00 0.00 0.00 175.10 176.76 3k5n h ALA 199 N 4.65 0.75 -2.45 5.51 0.00 -1.92 2.06 119.26 127.86 3k5n h ALA 199 Ca -0.34 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 53.90 3k5n h ALA 199 Cb 1.20 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 3k5n h ALA 199 CO 0.41 0.69 -0.57 0.45 0.00 0.00 0.00 179.25 180.24 3k5n s SER 200 N -6.91 0.27 0.16 0.00 0.15 -1.26 -4.63 113.70 101.47 3k5n s SER 200 Ca -0.06 -1.07 -0.11 0.00 0.70 0.00 0.00 55.95 55.40 3k5n s SER 200 Cb 0.12 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 3k5n s SER 200 CO 0.83 -0.75 1.59 0.03 1.20 0.00 0.00 173.24 176.14 3k5n h ARG 201 N 2.83 0.96 -0.84 5.44 3.08 -1.96 -2.59 114.38 121.30 3k5n h ARG 201 Ca -0.34 -0.34 0.16 0.00 0.07 0.00 0.00 59.98 59.53 3k5n h ARG 201 Cb 1.20 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 3k5n h ARG 201 CO 0.58 1.01 0.55 -1.35 -1.07 0.00 0.00 179.97 179.69 3k5n h PRO 202 N 0.82 0.47 0.00 0.04 0.11 -1.96 0.71 132.00 132.19 3k5n h PRO 202 Ca 0.14 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3k5n h PRO 202 Cb 0.63 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3k5n h PRO 202 CO 0.04 0.31 -0.20 1.96 -0.21 0.00 0.00 178.00 179.91 3k5n h GLN 203 N 0.49 0.00 0.00 1.05 4.20 -1.89 -1.11 115.11 117.85 3k5n h GLN 203 Ca 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 3k5n h GLN 203 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3k5n h GLN 203 CO -0.16 0.20 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.12 3k5n h LEU 204 N 0.00 -0.00 0.48 1.46 3.38 0.79 0.54 115.31 121.95 3k5n h LEU 204 Ca -0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3k5n h LEU 204 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3k5n h LEU 204 CO 0.03 0.13 -0.23 -0.07 0.09 0.00 0.00 178.44 178.39 3k5n h LEU 205 N -0.14 -0.54 -1.78 1.67 -0.00 -1.25 -2.12 115.31 111.15 3k5n h LEU 205 Ca -0.00 0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.99 3k5n h LEU 205 Cb 0.13 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 3k5n h LEU 205 CO 0.00 -0.38 0.35 1.05 -0.00 0.00 0.00 178.44 179.46 3k5n h GLU 206 N -0.65 0.24 -0.28 1.13 4.11 -1.03 0.41 114.58 118.52 3k5n h GLU 206 Ca -0.07 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.26 3k5n h GLU 206 Cb 0.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3k5n h GLU 206 CO 0.11 0.16 -0.21 0.87 0.07 0.00 0.00 179.01 180.00 3k5n h LYS 207 N 0.25 0.51 -0.16 1.06 1.79 0.55 -2.71 116.57 117.85 3k5n h LYS 207 Ca 0.24 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 3k5n h LYS 207 Cb 0.61 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3k5n h LYS 207 CO -0.05 0.70 -0.08 1.25 -1.08 0.00 0.00 179.45 180.19 3k5n h LEU 208 N 0.46 0.36 -0.93 2.94 5.85 0.38 -2.28 115.31 122.09 3k5n h LEU 208 Ca 0.07 -0.42 0.13 0.00 0.84 0.00 0.00 57.88 58.51 3k5n h LEU 208 Cb 0.63 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3k5n h LEU 208 CO 0.04 0.69 0.55 0.78 -0.34 0.00 0.00 178.44 180.17 3k5n h ASN 209 N 0.02 0.76 -0.24 1.25 2.35 -0.92 -0.81 115.58 117.99 3k5n h ASN 209 Ca 0.04 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3k5n h ASN 209 Cb 0.56 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3k5n h ASN 209 CO 0.02 0.37 0.08 0.00 -1.65 0.00 0.00 177.43 176.25 3k5n h ALA 210 N 1.55 0.31 -0.69 -0.83 0.00 -1.36 -1.87 119.26 116.36 3k5n h ALA 210 Ca 0.48 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.32 3k5n h ALA 210 Cb 0.58 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3k5n h ALA 210 CO -0.31 -0.08 0.39 2.35 0.00 0.00 0.00 179.25 181.60 3k5n h TRP 211 N 0.22 0.71 -0.67 0.00 7.01 -0.67 -1.33 115.95 121.22 3k5n h TRP 211 Ca 0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3k5n h TRP 211 Cb 0.21 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 3k5n h TRP 211 CO -0.00 0.34 0.42 0.74 -2.79 0.00 0.00 178.44 177.15 3k5n h PHE 212 N 0.71 0.87 -0.17 2.65 0.04 -0.92 0.36 116.94 120.48 3k5n h PHE 212 Ca 0.31 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 3k5n h PHE 212 Cb 0.19 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3k5n h PHE 212 CO -0.07 0.57 0.08 0.00 -0.60 0.00 0.00 178.31 178.29 3k5n h ALA 213 N 1.22 0.22 0.01 2.45 0.00 -0.45 -0.83 119.26 121.89 3k5n h ALA 213 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k5n h ALA 213 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k5n h ALA 213 CO -0.05 -0.22 -0.01 -0.97 0.00 0.00 0.00 179.25 178.01 3k5n h ASN 214 N 0.15 -0.02 0.52 0.00 -0.73 -1.07 -3.38 115.58 111.06 3k5n h ASN 214 Ca 0.06 -0.48 -0.25 0.00 1.87 0.00 0.00 56.30 57.50 3k5n h ASN 214 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 3k5n h ASN 214 CO -0.01 0.47 -1.11 1.88 -0.37 0.00 0.00 177.43 178.30 3k5n h TYR 215 N -0.51 0.52 -4.97 0.67 0.05 -0.27 -3.49 116.97 108.96 3k5n h TYR 215 Ca -0.00 -0.34 -0.21 0.00 0.05 0.00 0.00 58.73 58.23 3k5n h TYR 215 Cb 0.49 -0.04 0.16 0.00 1.01 0.00 0.00 36.73 38.35 3k5n h TYR 215 CO 0.09 1.21 -0.68 -0.25 -1.05 0.00 0.00 178.16 177.49 3k5n n ASP 216 N -3.62 -5.06 -4.68 3.88 9.92 -0.32 -4.97 116.55 111.70 3k5n n ASP 216 Ca -0.07 -0.56 -0.36 0.00 -0.53 0.00 0.00 54.79 53.27 3k5n n ASP 216 Cb 0.94 -4.30 0.09 0.00 -0.64 0.00 0.00 41.12 37.21 3k5n n ASP 216 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3k5n n PRO 217 N -3.01 0.69 -0.00 -0.24 -0.02 -1.26 -4.87 135.00 126.28 3k5n n PRO 217 Ca -0.09 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3k5n n PRO 217 Cb 0.60 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3k5n n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k5n n ASP 218 N -2.14 0.29 -3.94 2.55 8.00 1.08 -4.86 116.55 117.53 3k5n n ASP 218 Ca 0.14 -0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 3k5n n ASP 218 Cb 0.49 1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 43.16 3k5n n ASP 218 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k5n s VAL 219 N -3.38 0.11 -0.19 2.53 1.01 -0.84 -1.86 120.40 117.78 3k5n s VAL 219 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3k5n s VAL 219 Cb 0.14 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.10 3k5n s VAL 219 CO 0.89 -0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 3k5n s ILE 220 N -1.68 1.86 0.33 2.22 1.01 0.16 -2.07 121.20 123.03 3k5n s ILE 220 Ca -0.13 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.65 3k5n s ILE 220 Cb -0.07 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3k5n s ILE 220 CO -0.01 0.38 0.02 0.27 0.00 0.00 0.00 174.94 175.60 3k5n s ILE 221 N 1.34 2.79 -1.49 2.92 -4.36 -0.23 -0.26 121.20 121.91 3k5n s ILE 221 Ca 0.02 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3k5n s ILE 221 Cb -0.14 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.76 3k5n s ILE 221 CO -0.10 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.46 3k5n n GLY 222 N -0.96 -1.38 3.10 6.27 0.00 -1.20 -2.57 105.19 108.45 3k5n n GLY 222 Ca -0.04 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3k5n n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k5n s TRP 223 N -2.72 2.87 -1.22 1.61 -0.11 -1.26 -1.12 118.94 116.98 3k5n s TRP 223 Ca 0.00 -1.79 -0.03 0.00 1.22 0.00 0.00 56.10 55.49 3k5n s TRP 223 Cb 0.00 -1.91 -0.01 0.00 -1.50 0.00 0.00 33.47 30.05 3k5n s TRP 223 CO 0.00 -0.82 0.82 -1.71 -4.62 0.00 0.00 176.95 170.62 3k5n n ASN 224 N 4.58 -2.74 -0.05 5.86 5.15 -1.26 -4.85 115.26 121.95 3k5n n ASN 224 Ca -0.19 -0.78 -0.13 0.00 -0.60 0.00 0.00 54.58 52.88 3k5n n ASN 224 Cb 0.48 -4.44 -0.08 0.00 -0.53 0.00 0.00 39.78 35.22 3k5n n ASN 224 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3k5n h VAL 225 N -1.75 1.36 0.31 3.44 -1.51 -1.89 -2.93 116.25 113.29 3k5n h VAL 225 Ca -0.61 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 63.45 3k5n h VAL 225 Cb 1.35 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 3k5n h VAL 225 CO 0.52 0.41 -0.15 -0.37 -1.23 0.00 0.00 177.57 176.74 3k5n h VAL 226 N -0.05 0.38 -0.33 7.19 -1.51 -1.94 1.29 116.25 121.29 3k5n h VAL 226 Ca 0.01 -0.79 0.03 0.00 -1.23 0.00 0.00 66.70 64.73 3k5n h VAL 226 Cb 0.74 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 3k5n h VAL 226 CO 0.04 0.09 0.22 1.56 -1.23 0.00 0.00 177.57 178.25 3k5n h GLN 227 N -1.01 0.30 0.00 5.19 1.08 -1.92 -0.63 115.11 118.12 3k5n h GLN 227 Ca -0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3k5n h GLN 227 Cb 0.47 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3k5n h GLN 227 CO 0.07 0.20 -0.13 0.34 -0.95 0.00 0.00 178.83 178.36 3k5n n PHE 228 N -4.49 0.00 0.33 2.96 7.35 -1.11 -4.61 117.46 117.89 3k5n n PHE 228 Ca 0.03 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.55 3k5n n PHE 228 Cb 0.17 -0.06 -0.09 0.00 0.35 0.00 0.00 39.48 39.85 3k5n n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k5n h ASP 229 N -0.13 -0.68 -0.08 -2.13 3.32 -1.18 -1.54 116.42 114.01 3k5n h ASP 229 Ca 0.00 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3k5n h ASP 229 Cb 0.13 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3k5n h ASP 229 CO 0.00 -0.46 -0.25 -0.07 -1.72 0.00 0.00 179.24 176.74 3k5n h LEU 230 N -0.83 0.35 -0.27 1.55 3.38 0.15 -1.98 115.31 117.66 3k5n h LEU 230 Ca -0.08 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.33 3k5n h LEU 230 Cb 0.63 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3k5n h LEU 230 CO 0.13 0.90 -0.10 -0.09 0.09 0.00 0.00 178.44 179.38 3k5n h ARG 231 N -0.18 -0.05 -0.91 1.13 2.43 -1.17 0.12 114.38 115.74 3k5n h ARG 231 Ca -0.01 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3k5n h ARG 231 Cb 0.87 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 3k5n h ARG 231 CO 0.05 -0.03 0.60 1.98 -1.51 0.00 0.00 179.97 181.06 3k5n h MET 232 N -0.05 1.09 -0.73 0.20 4.05 -1.33 -0.98 114.93 117.17 3k5n h MET 232 Ca 0.14 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3k5n h MET 232 Cb 0.26 -0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 3k5n h MET 232 CO -0.30 0.72 0.44 1.25 0.23 0.00 0.00 176.91 179.25 3k5n h LEU 233 N 1.12 0.88 -1.36 3.39 5.85 -0.07 -1.56 115.31 123.56 3k5n h LEU 233 Ca 0.37 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 3k5n h LEU 233 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3k5n h LEU 233 CO -0.12 0.68 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.86 3k5n h GLN 234 N 1.01 0.20 -0.44 1.25 4.15 0.44 -2.60 115.11 119.11 3k5n h GLN 234 Ca 0.26 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3k5n h GLN 234 Cb -0.04 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3k5n h GLN 234 CO -0.05 0.39 0.22 0.87 -1.93 0.00 0.00 178.83 178.32 3k5n h LYS 235 N 0.19 0.42 0.02 1.69 1.57 -1.17 2.74 116.57 122.02 3k5n h LYS 235 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3k5n h LYS 235 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3k5n h LYS 235 CO 0.03 0.28 -0.01 0.45 -0.57 0.00 0.00 179.45 179.63 3k5n h HIS 236 N 0.43 -0.02 -0.74 -1.35 3.86 -1.50 1.54 115.15 117.37 3k5n h HIS 236 Ca 0.19 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3k5n h HIS 236 Cb 0.10 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3k5n h HIS 236 CO -0.11 0.21 0.39 0.00 0.86 0.00 0.00 177.93 179.29 3k5n h ALA 237 N 0.72 0.95 -0.10 2.45 0.00 -1.08 0.35 119.26 122.55 3k5n h ALA 237 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3k5n h ALA 237 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k5n h ALA 237 CO 0.00 0.48 -0.12 1.49 0.00 0.00 0.00 179.25 181.11 3k5n h GLU 238 N 1.03 0.16 0.00 0.00 4.81 0.52 0.18 114.58 121.29 3k5n h GLU 238 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3k5n h GLU 238 Cb 0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3k5n h GLU 238 CO -0.04 0.29 -0.55 -2.13 -0.73 0.00 0.00 179.01 175.85 3k5n n ARG 239 N -4.31 0.09 -0.28 1.92 3.00 0.52 -3.70 116.66 113.90 3k5n n ARG 239 Ca -0.01 0.02 0.07 0.00 -0.00 0.00 0.00 57.85 57.93 3k5n n ARG 239 Cb 0.24 -1.55 0.19 0.00 0.00 0.00 0.00 32.46 31.34 3k5n n ARG 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3k5n n TYR 240 N -1.69 0.65 -3.77 -0.14 4.01 0.98 -4.90 117.16 112.30 3k5n n TYR 240 Ca 0.05 -0.67 -0.29 0.00 -0.16 0.00 0.00 57.90 56.83 3k5n n TYR 240 Cb 0.37 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3k5n n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k5n n ARG 241 N 0.01 -5.30 -4.28 -0.72 1.74 -1.02 -4.91 116.66 102.18 3k5n n ARG 241 Ca 0.15 0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 57.51 3k5n n ARG 241 Cb 0.62 -5.49 -0.14 0.00 -1.02 0.00 0.00 32.46 26.44 3k5n n ARG 241 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3k5n s LEU 242 N -7.15 2.91 0.36 0.55 2.96 0.62 -5.05 118.68 113.88 3k5n s LEU 242 Ca 0.61 -0.32 -0.27 0.00 -0.22 0.00 0.00 54.13 53.93 3k5n s LEU 242 Cb -0.30 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.59 3k5n s LEU 242 CO 0.75 0.08 1.15 -2.16 -1.32 0.00 0.00 176.35 174.85 3k5n s PRO 243 N 0.89 4.28 -0.50 0.98 0.04 -1.26 -4.01 135.00 135.42 3k5n s PRO 243 Ca -0.02 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3k5n s PRO 243 Cb -0.15 -2.87 0.12 0.00 0.04 0.00 0.00 34.50 31.65 3k5n s PRO 243 CO 0.01 -0.12 0.40 -1.17 0.04 0.00 0.00 177.00 176.16 3k5n s LEU 244 N -2.11 5.88 -0.76 -3.56 2.96 -1.26 -4.96 118.68 114.87 3k5n s LEU 244 Ca 0.52 -1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 52.39 3k5n s LEU 244 Cb -0.31 -2.09 0.14 0.00 0.50 0.00 0.00 46.19 44.43 3k5n s LEU 244 CO 0.40 -0.76 0.87 -0.13 -1.32 0.00 0.00 176.35 175.41 3k5n s ARG 245 N 1.45 3.36 -0.04 1.98 0.52 -1.26 -1.46 118.95 123.51 3k5n s ARG 245 Ca 0.05 -1.72 0.09 0.00 -0.52 0.00 0.00 55.73 53.63 3k5n s ARG 245 Cb -0.28 -4.51 0.23 0.00 0.52 0.00 0.00 34.95 30.91 3k5n s ARG 245 CO 0.01 -1.57 1.18 1.28 0.02 0.00 0.00 175.30 176.21 3k5n n LEU 246 N 5.90 2.67 -4.61 2.53 4.77 -1.24 -4.70 117.00 122.31 3k5n n LEU 246 Ca 0.07 -2.25 -0.27 0.00 -0.03 0.00 0.00 56.01 53.53 3k5n n LEU 246 Cb 0.46 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3k5n n LEU 246 CO 0.50 0.64 -0.38 -0.83 -1.33 0.00 0.00 177.39 175.99 3k5n s GLY 247 N -1.32 1.74 0.57 -0.72 0.00 -1.25 -4.74 107.32 101.61 3k5n s GLY 247 Ca 0.18 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.31 3k5n s GLY 247 CO 0.08 -1.40 1.25 0.50 0.00 0.00 0.00 173.10 173.52 3k5n s ARG 248 N -2.78 3.06 -0.64 2.90 0.52 0.18 -0.17 118.95 122.01 3k5n s ARG 248 Ca 0.25 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 3k5n s ARG 248 Cb -0.09 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3k5n s ARG 248 CO 0.16 -1.17 0.00 -3.47 0.02 0.00 0.00 175.30 170.85 3k5n n ASP 249 N -1.37 -2.84 -3.85 0.23 -0.08 -1.26 -3.06 116.55 104.33 3k5n n ASP 249 Ca 0.12 0.01 -0.27 0.00 -1.51 0.00 0.00 54.79 53.14 3k5n n ASP 249 Cb 0.48 -2.05 0.00 0.00 2.34 0.00 0.00 41.12 41.89 3k5n n ASP 249 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3k5n n ASN 250 N 0.62 -1.87 -2.26 1.67 5.03 -0.64 -4.94 115.26 112.86 3k5n n ASN 250 Ca -0.09 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.37 3k5n n ASN 250 Cb 0.54 -3.23 0.00 0.00 -1.02 0.00 0.00 39.78 36.06 3k5n n ASN 250 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3k5n n SER 251 N -2.89 0.00 -4.06 6.41 2.88 0.76 -4.91 113.62 111.82 3k5n n SER 251 Ca -0.25 -0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 56.52 3k5n n SER 251 Cb 0.66 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.97 3k5n n SER 251 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3k5n s GLU 252 N -1.47 0.93 0.23 -1.46 2.02 -1.26 -3.70 118.70 113.99 3k5n s GLU 252 Ca 0.00 -0.40 -0.32 0.00 0.02 0.00 0.00 54.97 54.28 3k5n s GLU 252 Cb 0.00 -0.89 -0.12 0.00 0.10 0.00 0.00 34.13 33.22 3k5n s GLU 252 CO 0.00 0.23 1.66 -0.11 0.02 0.00 0.00 175.26 177.06 3k5n n LEU 253 N 2.84 3.99 -4.25 1.80 7.94 -0.53 -4.75 117.00 124.02 3k5n n LEU 253 Ca -0.14 1.09 -0.17 0.00 -1.11 0.00 0.00 56.01 55.69 3k5n n LEU 253 Cb 0.56 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.84 3k5n n LEU 253 CO 0.25 0.10 -0.43 -1.83 -1.11 0.00 0.00 177.39 174.36 3k5n s GLU 254 N 0.57 1.07 0.07 1.96 -1.05 -1.01 -4.91 118.70 115.39 3k5n s GLU 254 Ca 0.72 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 3k5n s GLU 254 Cb -0.53 -0.83 -0.00 0.00 -0.44 0.00 0.00 34.13 32.33 3k5n s GLU 254 CO 0.38 0.14 0.01 0.91 0.95 0.00 0.00 175.26 177.66 3k5n n TRP 255 N 0.19 0.10 1.26 4.83 7.02 -1.26 -2.11 117.44 127.47 3k5n n TRP 255 Ca -0.13 -0.38 0.14 0.00 -1.02 0.00 0.00 57.50 56.11 3k5n n TRP 255 Cb 0.59 -0.02 0.69 0.00 -2.42 0.00 0.00 31.31 30.14 3k5n n TRP 255 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3k5n n PHE 265 N -0.16 0.00 -2.82 -5.99 -0.00 -1.26 -4.98 117.46 102.24 3k5n n PHE 265 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3k5n n PHE 265 Cb 0.09 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.24 3k5n n PHE 265 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3k5n n PHE 266 N -1.33 -0.41 -3.55 -5.13 3.72 -1.26 -4.93 117.46 104.56 3k5n n PHE 266 Ca 0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 3k5n n PHE 266 Cb 0.25 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3k5n n PHE 266 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k5n s ALA 267 N -2.00 -1.80 -0.03 4.37 0.00 -1.26 -5.05 121.76 115.98 3k5n s ALA 267 Ca 0.00 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 3k5n s ALA 267 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3k5n s ALA 267 CO 0.00 -0.35 0.08 -0.65 0.00 0.00 0.00 175.76 174.84 3k5n s GLN 268 N -0.88 0.07 0.00 0.00 -1.52 -0.90 -4.94 119.66 111.49 3k5n s GLN 268 Ca -0.08 0.16 0.08 0.00 -1.95 0.00 0.00 55.36 53.58 3k5n s GLN 268 Cb -0.01 -0.04 -0.02 0.00 -0.22 0.00 0.00 33.01 32.72 3k5n s GLN 268 CO 0.07 -0.06 -0.26 0.00 -0.25 0.00 0.00 175.29 174.79 3k5n s ALA 269 N 0.39 2.16 0.06 6.09 0.00 -1.26 -2.40 121.76 126.79 3k5n s ALA 269 Ca -0.03 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 3k5n s ALA 269 Cb -0.04 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 3k5n s ALA 269 CO -0.01 0.52 0.69 -1.59 0.00 0.00 0.00 175.76 175.37 3k5n s LYS 270 N -0.83 4.41 0.00 0.00 -2.85 -1.26 -3.59 119.74 115.62 3k5n s LYS 270 Ca 0.10 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 3k5n s LYS 270 Cb -0.10 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 3k5n s LYS 270 CO 0.00 0.42 0.00 0.41 0.10 0.00 0.00 175.35 176.28 3k5n n GLY 271 N 2.15 1.33 3.31 0.59 0.00 -1.26 0.48 105.19 111.79 3k5n n GLY 271 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3k5n n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5n s ARG 272 N -0.54 1.22 -0.03 1.61 0.52 -1.24 -4.89 118.95 115.60 3k5n s ARG 272 Ca 0.00 -1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 3k5n s ARG 272 Cb 0.00 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 3k5n s ARG 272 CO 0.00 0.24 0.13 -0.51 0.02 0.00 0.00 175.30 175.18 3k5n s LEU 273 N -2.68 4.16 -0.21 2.53 1.02 -0.78 -4.54 118.68 118.17 3k5n s LEU 273 Ca 0.15 0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.59 3k5n s LEU 273 Cb -0.05 -2.37 0.03 0.00 0.02 0.00 0.00 46.19 43.83 3k5n s LEU 273 CO 0.06 0.29 -0.16 -0.63 0.02 0.00 0.00 176.35 175.93 3k5n s ILE 274 N -1.21 2.05 0.12 -0.59 1.01 -1.26 0.38 121.20 121.70 3k5n s ILE 274 Ca 0.23 -1.16 0.11 0.00 0.00 0.00 0.00 60.65 59.83 3k5n s ILE 274 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3k5n s ILE 274 CO 0.14 0.33 -0.26 -0.63 0.00 0.00 0.00 174.94 174.52 3k5n s ILE 275 N 1.24 2.28 -0.04 2.92 1.09 0.64 -4.80 121.20 124.54 3k5n s ILE 275 Ca 0.00 -1.69 0.06 0.00 -1.10 0.00 0.00 60.65 57.92 3k5n s ILE 275 Cb -0.15 -2.00 -0.01 0.00 -1.06 0.00 0.00 42.46 39.23 3k5n s ILE 275 CO -0.10 0.13 -0.23 -0.62 -0.10 0.00 0.00 174.94 174.02 3k5n s ASP 276 N -1.96 2.74 0.29 3.58 3.68 -1.26 -3.27 116.67 120.47 3k5n s ASP 276 Ca 0.14 -0.44 0.02 0.00 2.13 0.00 0.00 52.55 54.40 3k5n s ASP 276 Cb -0.10 -0.54 0.44 0.00 -1.45 0.00 0.00 42.92 41.27 3k5n s ASP 276 CO 0.06 0.25 1.76 1.23 0.13 0.00 0.00 175.17 178.60 3k5n h GLY 277 N 5.86 0.58 0.83 2.66 0.00 -1.51 0.44 103.07 111.93 3k5n h GLY 277 Ca -0.36 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3k5n h GLY 277 CO 0.47 0.39 0.03 -2.22 0.00 0.00 0.00 176.54 175.21 3k5n h ILE 278 N 0.49 1.23 -0.02 2.60 2.04 -1.94 0.51 117.51 122.42 3k5n h ILE 278 Ca 0.08 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3k5n h ILE 278 Cb 0.56 1.36 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3k5n h ILE 278 CO 0.04 0.23 -0.33 -0.33 0.00 0.00 0.00 178.15 177.76 3k5n h GLU 279 N 0.11 0.26 -0.63 2.37 5.08 -1.95 -2.12 114.58 117.70 3k5n h GLU 279 Ca 0.06 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3k5n h GLU 279 Cb 0.33 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3k5n h GLU 279 CO 0.00 0.94 0.34 0.00 -1.00 0.00 0.00 179.01 179.30 3k5n h ALA 280 N 0.32 0.84 -0.70 3.43 0.00 -0.11 -0.62 119.26 122.42 3k5n h ALA 280 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k5n h ALA 280 Cb 1.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3k5n h ALA 280 CO 0.07 0.00 0.25 -0.07 0.00 0.00 0.00 179.25 179.50 3k5n h LEU 281 N 0.63 1.00 -0.32 0.00 3.38 0.02 -1.88 115.31 118.14 3k5n h LEU 281 Ca 0.29 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3k5n h LEU 281 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3k5n h LEU 281 CO -0.19 0.92 -0.12 0.11 0.09 0.00 0.00 178.44 179.25 3k5n h LYS 282 N 1.02 0.66 -0.58 1.13 1.57 -0.65 -1.97 116.57 117.74 3k5n h LYS 282 Ca 0.23 -0.27 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3k5n h LYS 282 Cb 0.26 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 3k5n h LYS 282 CO -0.01 0.86 0.23 0.77 -0.57 0.00 0.00 179.45 180.72 3k5n h SER 283 N 0.43 0.25 -0.05 0.86 0.02 -1.05 1.41 113.55 115.42 3k5n h SER 283 Ca 0.08 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3k5n h SER 283 Cb 0.64 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3k5n h SER 283 CO 0.04 0.16 0.40 0.00 -1.14 0.00 0.00 176.83 176.29 3k5n h ALA 284 N 1.38 1.48 0.00 3.77 0.00 -0.75 -3.44 119.26 121.71 3k5n h ALA 284 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3k5n h ALA 284 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k5n h ALA 284 CO -0.27 -0.43 0.00 1.19 0.00 0.00 0.00 179.25 179.74 3k5n n PHE 285 N -2.95 0.00 -3.15 0.00 3.72 0.48 -5.05 117.46 110.52 3k5n n PHE 285 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 3k5n n PHE 285 Cb 0.46 -0.62 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 3k5n n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k5n s TRP 286 N -2.00 3.72 -0.05 1.38 0.52 -0.80 -5.01 118.94 116.70 3k5n s TRP 286 Ca 0.00 1.37 -0.11 0.00 0.02 0.00 0.00 56.10 57.38 3k5n s TRP 286 Cb 0.00 -2.59 0.02 0.00 -1.15 0.00 0.00 33.47 29.75 3k5n s TRP 286 CO 0.00 0.43 0.26 1.21 0.02 0.00 0.00 176.95 178.87 3k5n s ASN 287 N -1.46 -0.19 0.11 2.95 3.84 -1.26 -4.52 114.94 114.41 3k5n s ASN 287 Ca 0.38 0.26 -0.01 0.00 0.21 0.00 0.00 52.86 53.70 3k5n s ASN 287 Cb -0.18 0.41 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 3k5n s ASN 287 CO 0.21 -0.26 0.04 -0.36 -2.79 0.00 0.00 177.10 173.94 3k5n s PHE 288 N -0.61 0.79 0.19 0.43 0.08 -1.26 -5.05 117.98 112.55 3k5n s PHE 288 Ca -0.07 -1.20 -0.12 0.00 0.12 0.00 0.00 56.93 55.66 3k5n s PHE 288 Cb -0.04 -0.46 0.19 0.00 -0.57 0.00 0.00 43.02 42.14 3k5n s PHE 288 CO 0.02 -0.49 1.76 0.66 -0.10 0.00 0.00 175.22 177.06 3k5n h SER 289 N 2.92 0.26 -3.42 1.36 4.64 -2.01 -3.41 113.55 113.88 3k5n h SER 289 Ca -0.35 0.06 -0.45 0.00 -0.47 0.00 0.00 61.79 60.57 3k5n h SER 289 Cb 1.19 0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 3k5n h SER 289 CO 0.60 0.17 -0.75 -0.55 -0.87 0.00 0.00 176.83 175.44 3k5n s SER 290 N -5.42 2.49 -0.36 4.97 0.15 -1.26 -5.03 113.70 109.23 3k5n s SER 290 Ca -0.13 -0.96 0.07 0.00 0.70 0.00 0.00 55.95 55.63 3k5n s SER 290 Cb 0.15 -0.13 0.55 0.00 -1.71 0.00 0.00 66.02 64.88 3k5n s SER 290 CO 0.74 -0.14 1.61 0.49 1.20 0.00 0.00 173.24 177.13 3k5n n PHE 291 N -0.11 1.81 -3.04 3.44 3.72 -1.26 -4.48 117.46 117.54 3k5n n PHE 291 Ca -0.10 -1.79 -0.32 0.00 -0.05 0.00 0.00 57.45 55.19 3k5n n PHE 291 Cb 0.59 -0.66 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 3k5n n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k5n s SER 292 N -2.23 6.77 0.33 4.37 1.04 -1.26 -4.90 113.70 117.81 3k5n s SER 292 Ca 0.49 1.34 0.01 0.00 0.48 0.00 0.00 55.95 58.27 3k5n s SER 292 Cb 0.43 -2.40 0.55 0.00 0.10 0.00 0.00 66.02 64.71 3k5n s SER 292 CO 0.03 -0.26 1.95 -0.07 0.98 0.00 0.00 173.24 175.87 3k5n h LEU 293 N 2.07 0.75 -0.09 2.42 3.38 -1.98 0.86 115.31 122.71 3k5n h LEU 293 Ca -0.48 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.47 3k5n h LEU 293 Cb 1.18 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3k5n h LEU 293 CO 0.64 0.61 -0.20 -0.33 0.09 0.00 0.00 178.44 179.25 3k5n h GLU 294 N 0.85 -0.27 -0.01 1.13 3.07 -1.99 -1.94 114.58 115.42 3k5n h GLU 294 Ca 0.22 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3k5n h GLU 294 Cb 0.03 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3k5n h GLU 294 CO -0.03 -0.18 -0.00 1.15 -1.40 0.00 0.00 179.01 178.54 3k5n h THR 295 N -0.28 1.29 -0.62 1.13 2.02 -1.70 -3.21 112.91 111.54 3k5n h THR 295 Ca 0.09 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3k5n h THR 295 Cb 0.40 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3k5n h THR 295 CO -0.25 0.22 0.38 0.58 0.37 0.00 0.00 175.52 176.83 3k5n h VAL 296 N -0.34 1.08 -0.99 3.16 2.07 -0.80 -1.43 116.25 119.00 3k5n h VAL 296 Ca 0.00 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3k5n h VAL 296 Cb 0.37 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3k5n h VAL 296 CO 0.00 0.14 0.64 0.00 0.02 0.00 0.00 177.57 178.37 3k5n h ALA 297 N 1.27 1.35 -0.02 1.67 0.00 -1.43 -2.64 119.26 119.46 3k5n h ALA 297 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3k5n h ALA 297 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3k5n h ALA 297 CO -0.10 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.58 3k5n n GLN 298 N -4.49 2.03 0.00 0.00 10.64 -0.86 0.16 117.38 124.86 3k5n n GLN 298 Ca 0.14 -1.58 0.12 0.00 -1.83 0.00 0.00 57.00 53.86 3k5n n GLN 298 Cb 0.15 -1.47 0.15 0.00 -0.86 0.00 0.00 30.24 28.21 3k5n n GLN 298 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3k5n n GLU 299 N 0.89 1.57 0.00 2.61 1.02 -0.60 -3.40 120.64 122.73 3k5n n GLU 299 Ca 0.15 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 3k5n n GLU 299 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3k5n n GLU 299 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3k5n n LEU 300 N 0.35 1.27 -0.00 -4.62 0.00 -1.02 -4.87 117.00 108.11 3k5n n LEU 300 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.23 3k5n n LEU 300 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.77 3k5n n LEU 300 CO 0.22 0.17 -0.31 0.18 0.00 0.00 0.00 177.39 177.65 3k5n n LEU 301 N -2.60 0.60 0.00 -1.96 4.77 0.42 -5.00 117.00 113.23 3k5n n LEU 301 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3k5n n LEU 301 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3k5n n LEU 301 CO 0.00 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3k5n n GLY 302 N 1.42 0.76 3.41 -0.72 0.00 -1.18 -4.94 105.19 103.94 3k5n n GLY 302 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3k5n n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5n s GLU 303 N -0.43 -1.73 0.36 1.61 8.01 -1.25 -4.93 118.70 120.34 3k5n s GLU 303 Ca 0.00 0.62 0.04 0.00 0.01 0.00 0.00 54.97 55.64 3k5n s GLU 303 Cb 0.00 -1.48 0.04 0.00 -4.31 0.00 0.00 34.13 28.39 3k5n s GLU 303 CO 0.00 -4.20 0.36 0.41 0.01 0.00 0.00 175.26 171.84 3k5n n GLY 304 N 1.12 2.50 2.96 -1.39 0.00 -1.26 -4.55 105.19 104.57 3k5n n GLY 304 Ca 0.05 -2.23 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 3k5n n GLY 304 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k5n s TRP 311 N -1.56 1.52 0.04 1.61 0.51 -1.26 -5.11 118.94 114.70 3k5n s TRP 311 Ca 0.27 -0.69 0.00 0.00 -2.12 0.00 0.00 56.10 53.57 3k5n s TRP 311 Cb -0.02 -1.19 0.00 0.00 -0.81 0.00 0.00 33.47 31.45 3k5n s TRP 311 CO 0.17 -0.42 0.00 -0.25 -0.51 0.00 0.00 176.95 175.94 3k5n n ASP 312 N 4.45 -1.53 0.00 2.95 9.92 -1.26 -5.10 116.55 125.97 3k5n n ASP 312 Ca -0.17 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 3k5n n ASP 312 Cb 0.51 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 3k5n n ASP 312 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3k5n n ARG 313 N -1.24 0.00 -0.16 -1.24 3.00 -1.26 -4.93 116.66 110.84 3k5n n ARG 313 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 3k5n n ARG 313 Cb 0.09 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.71 3k5n n ARG 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k5n n MET 314 N 1.95 2.29 0.00 -0.14 0.00 -1.26 -3.78 117.12 116.19 3k5n n MET 314 Ca 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 57.70 55.83 3k5n n MET 314 Cb 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 33.22 31.93 3k5n n MET 314 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3k5n n ASP 315 N 0.87 2.53 -0.04 3.17 3.85 -1.26 -2.43 116.55 123.24 3k5n n ASP 315 Ca 0.14 -1.76 -0.16 0.00 -0.71 0.00 0.00 54.79 52.30 3k5n n ASP 315 Cb 0.46 0.20 -0.07 0.00 -1.35 0.00 0.00 41.12 40.35 3k5n n ASP 315 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3k5n h GLU 316 N 3.61 0.67 -0.74 0.11 4.22 -1.92 -2.44 114.58 118.10 3k5n h GLU 316 Ca 0.00 -0.49 -0.04 0.00 0.08 0.00 0.00 59.36 58.90 3k5n h GLU 316 Cb 0.86 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3k5n h GLU 316 CO 0.00 1.11 0.29 0.82 -2.18 0.00 0.00 179.01 179.06 3k5n h ILE 317 N 0.35 1.25 -0.16 2.32 2.04 -1.73 -1.34 117.51 120.24 3k5n h ILE 317 Ca -0.02 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 3k5n h ILE 317 Cb 1.17 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3k5n h ILE 317 CO 0.12 0.32 -0.36 0.44 0.00 0.00 0.00 178.15 178.67 3k5n h ASP 318 N 1.06 0.34 -0.29 1.72 3.32 -1.45 -2.54 116.42 118.59 3k5n h ASP 318 Ca 0.25 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 3k5n h ASP 318 Cb 0.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3k5n h ASP 318 CO -0.02 0.68 -0.39 0.08 -1.72 0.00 0.00 179.24 177.88 3k5n h ARG 319 N 0.28 0.77 -0.74 3.56 0.11 -1.01 -3.08 114.38 114.27 3k5n h ARG 319 Ca 0.03 -0.44 -0.04 0.00 0.10 0.00 0.00 59.98 59.63 3k5n h ARG 319 Cb 0.77 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.85 3k5n h ARG 319 CO 0.06 1.07 0.31 0.00 0.10 0.00 0.00 179.97 181.51 3k5n h ARG 320 N 0.53 1.10 0.00 0.08 3.08 -1.16 1.80 114.38 119.81 3k5n h ARG 320 Ca 0.03 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3k5n h ARG 320 Cb 0.98 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3k5n h ARG 320 CO 0.09 0.89 0.00 0.34 -1.07 0.00 0.00 179.97 180.22 3k5n n PHE 321 N -4.35 0.23 -0.13 3.04 7.35 -0.96 -0.25 117.46 122.39 3k5n n PHE 321 Ca 0.06 0.09 -0.25 0.00 -0.76 0.00 0.00 57.45 56.59 3k5n n PHE 321 Cb 0.17 -0.65 -0.10 0.00 0.35 0.00 0.00 39.48 39.25 3k5n n PHE 321 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k5n n ALA 322 N -1.58 1.32 -0.69 3.13 0.00 0.45 -4.58 120.51 118.57 3k5n n ALA 322 Ca 0.03 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.46 3k5n n ALA 322 Cb 0.18 0.06 0.23 0.00 0.00 0.00 0.00 19.45 19.92 3k5n n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k5n n GLU 323 N -3.86 2.97 0.00 0.00 4.71 0.59 -4.86 120.64 120.18 3k5n n GLU 323 Ca -0.50 -2.57 0.00 0.00 -0.01 0.00 0.00 57.16 54.08 3k5n n GLU 323 Cb 0.92 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.70 3k5n n GLU 323 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3k5n n ASP 324 N -0.08 0.00 -0.28 1.62 2.03 0.65 -4.80 116.55 115.69 3k5n n ASP 324 Ca 0.18 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.53 3k5n n ASP 324 Cb 0.73 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.39 3k5n n ASP 324 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3k5n h LYS 325 N 0.00 0.96 -0.62 -0.67 1.57 -1.46 -2.78 116.57 113.57 3k5n h LYS 325 Ca 0.00 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 3k5n h LYS 325 Cb 0.00 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3k5n h LYS 325 CO 0.00 0.64 0.42 -1.35 -0.57 0.00 0.00 179.45 178.59 3k5n h PRO 326 N 0.99 0.29 -0.07 3.15 0.11 -1.86 0.56 132.00 135.17 3k5n h PRO 326 Ca 0.37 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.28 3k5n h PRO 326 Cb 0.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3k5n h PRO 326 CO -0.14 0.19 -0.76 0.00 -0.21 0.00 0.00 178.00 177.08 3k5n h ALA 327 N 1.70 0.55 0.18 -0.75 0.00 -1.84 -2.56 119.26 116.54 3k5n h ALA 327 Ca 0.30 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3k5n h ALA 327 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3k5n h ALA 327 CO -0.07 0.77 -0.09 1.25 0.00 0.00 0.00 179.25 181.11 3k5n h LEU 328 N 0.28 -0.22 -0.75 0.00 5.85 0.03 0.46 115.31 120.95 3k5n h LEU 328 Ca -0.04 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.85 3k5n h LEU 328 Cb 1.35 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 3k5n h LEU 328 CO 0.13 -0.16 0.25 0.00 -0.34 0.00 0.00 178.44 178.33 3k5n h ALA 329 N 0.57 1.04 0.00 1.25 0.00 -0.79 0.16 119.26 121.49 3k5n h ALA 329 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k5n h ALA 329 Cb 0.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k5n h ALA 329 CO 0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 179.25 178.90 3k5n h THR 330 N 0.36 0.00 -0.20 0.00 1.03 -1.00 0.35 112.91 113.45 3k5n h THR 330 Ca 0.43 -0.63 -0.08 0.00 -0.01 0.00 0.00 66.41 66.12 3k5n h THR 330 Cb 0.70 1.57 -0.00 0.00 -1.07 0.00 0.00 68.15 69.35 3k5n h THR 330 CO -0.46 0.00 -0.17 0.22 -0.01 0.00 0.00 175.52 175.10 3k5n h TYR 331 N 0.00 0.56 0.34 0.00 3.20 0.26 -2.68 116.97 118.65 3k5n h TYR 331 Ca 0.00 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3k5n h TYR 331 Cb 0.82 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 3k5n h TYR 331 CO 0.00 0.81 -0.19 -0.97 -1.64 0.00 0.00 178.16 176.17 3k5n h ASN 332 N 0.15 -0.46 -0.45 -2.11 -0.73 -0.77 -2.92 115.58 108.29 3k5n h ASN 332 Ca 0.04 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.24 3k5n h ASN 332 Cb 0.70 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 3k5n h ASN 332 CO 0.04 -0.31 0.30 0.25 -0.37 0.00 0.00 177.43 177.34 3k5n h LEU 333 N -0.50 0.50 -1.32 0.34 6.46 -0.98 0.65 115.31 120.47 3k5n h LEU 333 Ca -0.04 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 3k5n h LEU 333 Cb 0.40 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 3k5n h LEU 333 CO 0.05 0.36 -0.03 0.50 -0.62 0.00 0.00 178.44 178.70 3k5n h LYS 334 N 0.59 0.42 -0.38 1.25 3.64 -1.32 -1.63 116.57 119.14 3k5n h LYS 334 Ca 0.17 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3k5n h LYS 334 Cb -0.04 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3k5n h LYS 334 CO -0.04 0.47 0.22 -0.91 -2.27 0.00 0.00 179.45 176.92 3k5n h ASN 335 N 0.40 0.34 -0.73 4.20 4.21 -0.69 -0.63 115.58 122.68 3k5n h ASN 335 Ca 0.09 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.61 3k5n h ASN 335 Cb 0.32 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 3k5n h ASN 335 CO 0.01 0.25 0.48 0.00 -1.29 0.00 0.00 177.43 176.88 3k5n h GLU 337 N 0.99 0.48 -0.23 0.00 5.08 -0.71 -2.36 114.58 117.83 3k5n h GLU 337 Ca 0.27 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3k5n h GLU 337 Cb -0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3k5n h GLU 337 CO -0.06 0.58 0.01 -0.07 -1.00 0.00 0.00 179.01 178.48 3k5n h LEU 338 N 0.45 0.39 -0.49 1.33 3.38 -0.56 0.31 115.31 120.12 3k5n h LEU 338 Ca 0.09 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3k5n h LEU 338 Cb 0.44 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3k5n h LEU 338 CO 0.02 0.58 0.24 0.58 0.09 0.00 0.00 178.44 179.96 3k5n h VAL 339 N 0.18 0.96 -0.03 1.22 2.07 -1.21 0.11 116.25 119.55 3k5n h VAL 339 Ca 0.07 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3k5n h VAL 339 Cb 0.38 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3k5n h VAL 339 CO 0.01 0.09 -0.62 0.00 0.02 0.00 0.00 177.57 177.07 3k5n h THR 340 N 0.48 1.42 -0.35 2.57 1.03 -1.15 -0.85 112.91 116.06 3k5n h THR 340 Ca 0.21 -2.06 -0.07 0.00 -0.01 0.00 0.00 66.41 64.48 3k5n h THR 340 Cb 0.13 2.08 -0.02 0.00 -1.07 0.00 0.00 68.15 69.27 3k5n h THR 340 CO -0.15 0.60 -0.09 1.56 -0.01 0.00 0.00 175.52 177.42 3k5n h GLN 341 N 0.08 0.60 -0.38 0.00 4.20 0.15 -1.80 115.11 117.95 3k5n h GLN 341 Ca -0.01 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 3k5n h GLN 341 Cb 1.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 3k5n h GLN 341 CO 0.09 0.69 -0.07 0.82 -0.67 0.00 0.00 178.83 179.68 3k5n h ILE 342 N 0.55 1.24 -0.04 2.54 2.04 -0.45 0.10 117.51 123.49 3k5n h ILE 342 Ca 0.10 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 3k5n h ILE 342 Cb 0.49 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3k5n h ILE 342 CO 0.03 0.35 -0.32 -0.26 0.00 0.00 0.00 178.15 177.94 3k5n h PHE 343 N 0.60 0.07 0.21 1.37 0.04 -0.35 -2.23 116.94 116.66 3k5n h PHE 343 Ca 0.11 -0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.55 3k5n h PHE 343 Cb 0.49 -0.02 0.04 0.00 2.20 0.00 0.00 35.95 38.65 3k5n h PHE 343 CO 0.02 0.38 -1.36 0.45 -0.60 0.00 0.00 178.31 177.20 3k5n h HIS 344 N 0.06 0.96 -0.15 -0.55 3.86 -0.71 -2.33 115.15 116.29 3k5n h HIS 344 Ca 0.01 -0.68 -0.01 0.00 -1.16 0.00 0.00 60.37 58.53 3k5n h HIS 344 Cb 0.60 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3k5n h HIS 344 CO 0.00 1.52 0.06 -0.22 0.86 0.00 0.00 177.93 180.16 3k5n h LYS 345 N 0.13 0.23 0.00 2.45 1.63 -0.73 -2.34 116.57 117.94 3k5n h LYS 345 Ca -0.23 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 3k5n h LYS 345 Cb 2.06 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.66 3k5n h LYS 345 CO 0.26 0.31 0.00 0.25 -3.45 0.00 0.00 179.45 176.82 3k5n n THR 346 N -4.87 0.65 -3.88 1.00 -2.24 -0.85 -4.87 114.28 99.22 3k5n n THR 346 Ca -0.05 0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3k5n n THR 346 Cb 0.12 -0.85 0.02 0.00 -2.10 0.00 0.00 70.33 67.51 3k5n n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k5n n GLU 347 N -1.95 -4.82 0.04 -0.78 1.02 -0.88 -4.86 120.64 108.41 3k5n n GLU 347 Ca 0.04 0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 3k5n n GLU 347 Cb 0.29 -5.23 -0.09 0.00 -0.02 0.00 0.00 31.44 26.39 3k5n n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3k5n h ILE 348 N -1.93 1.14 -0.01 -3.67 6.09 -1.74 -3.32 117.51 114.07 3k5n h ILE 348 Ca -0.60 -0.90 -0.00 0.00 -1.37 0.00 0.00 64.86 61.99 3k5n h ILE 348 Cb 1.37 1.71 -0.00 0.00 0.47 0.00 0.00 36.82 40.37 3k5n h ILE 348 CO 0.64 0.22 0.00 0.24 -3.07 0.00 0.00 178.15 176.18 3k5n h MET 349 N -0.54 0.01 -1.02 2.19 2.86 -1.89 -1.41 114.93 115.13 3k5n h MET 349 Ca -0.01 -0.00 0.37 0.00 -2.06 0.00 0.00 59.70 58.00 3k5n h MET 349 Cb 0.45 -0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.95 3k5n h MET 349 CO 0.02 0.10 0.57 -1.35 1.06 0.00 0.00 176.91 177.31 3k5n h PRO 350 N -0.09 0.16 -0.14 -0.22 0.11 -1.94 0.50 132.00 130.38 3k5n h PRO 350 Ca 0.00 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 3k5n h PRO 350 Cb 0.10 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.18 3k5n h PRO 350 CO -0.00 0.11 -0.59 0.35 -0.21 0.00 0.00 178.00 177.66 3k5n h PHE 351 N 0.17 0.86 0.27 0.65 3.57 -1.46 0.15 116.94 121.15 3k5n h PHE 351 Ca 0.79 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 3k5n h PHE 351 Cb 1.98 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 3k5n h PHE 351 CO -0.01 1.17 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.97 3k5n h LEU 352 N 0.31 -0.52 -0.65 0.59 4.07 0.93 0.39 115.31 120.44 3k5n h LEU 352 Ca -0.03 0.04 0.02 0.00 0.08 0.00 0.00 57.88 57.99 3k5n h LEU 352 Cb 1.22 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 43.09 3k5n h LEU 352 CO 0.12 -0.31 0.41 -0.07 -1.08 0.00 0.00 178.44 177.51 3k5n h LEU 353 N -0.48 0.68 -0.71 1.67 3.38 -0.97 0.59 115.31 119.47 3k5n h LEU 353 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3k5n h LEU 353 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3k5n h LEU 353 CO -0.00 0.47 0.34 -0.33 0.09 0.00 0.00 178.44 179.01 3k5n h GLU 354 N 0.81 1.03 0.15 1.13 4.39 -0.19 -0.82 114.58 121.08 3k5n h GLU 354 Ca 0.26 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3k5n h GLU 354 Cb -0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3k5n h GLU 354 CO -0.10 0.81 -0.07 0.07 -1.16 0.00 0.00 179.01 178.56 3k5n h ARG 355 N 1.00 -0.20 -0.70 2.33 0.11 0.52 -2.72 114.38 114.72 3k5n h ARG 355 Ca 0.24 0.01 0.20 0.00 0.10 0.00 0.00 59.98 60.54 3k5n h ARG 355 Cb 0.13 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.22 3k5n h ARG 355 CO -0.03 0.18 0.65 0.00 0.10 0.00 0.00 179.97 180.87 3k5n h ALA 356 N 0.11 2.51 -0.08 0.08 0.00 0.38 0.78 119.26 123.04 3k5n h ALA 356 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3k5n h ALA 356 Cb 0.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k5n h ALA 356 CO 0.03 -1.01 -0.68 1.15 0.00 0.00 0.00 179.25 178.75 3k5n h THR 357 N 0.00 1.38 0.06 0.00 2.02 -0.85 -1.55 112.91 113.97 3k5n h THR 357 Ca 0.33 -2.08 -0.24 0.00 0.77 0.00 0.00 66.41 65.19 3k5n h THR 357 Cb 1.62 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 3k5n h THR 357 CO -0.00 0.62 -1.08 0.58 0.37 0.00 0.00 175.52 176.01 3k5n h VAL 358 N 0.24 1.54 0.00 3.16 2.07 0.80 -3.37 116.25 120.69 3k5n h VAL 358 Ca -0.02 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.51 3k5n h VAL 358 Cb 1.23 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 3k5n h VAL 358 CO 0.11 0.87 -1.03 -0.46 0.02 0.00 0.00 177.57 177.08 3k5n n ASN 359 N -3.54 0.84 0.00 0.57 0.23 -0.54 -5.00 115.26 107.81 3k5n n ASN 359 Ca -0.05 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 3k5n n ASN 359 Cb 0.94 1.13 0.00 0.00 -2.08 0.00 0.00 39.78 39.77 3k5n n ASN 359 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k5n n GLY 360 N 1.44 0.71 3.97 4.83 0.00 -0.59 -4.64 105.19 110.91 3k5n n GLY 360 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3k5n n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5n s LEU 361 N 0.00 3.03 0.50 0.99 1.43 -1.25 -4.83 118.68 118.55 3k5n s LEU 361 Ca 0.00 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 3k5n s LEU 361 Cb 0.00 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 3k5n s LEU 361 CO 0.00 -1.64 1.13 -2.84 0.23 0.00 0.00 176.35 173.22 3k5n s PRO 362 N -5.08 3.57 0.37 1.29 0.02 -1.26 -4.80 135.00 129.11 3k5n s PRO 362 Ca 0.63 1.63 0.05 0.00 0.02 0.00 0.00 61.00 63.32 3k5n s PRO 362 Cb -0.08 -2.16 0.71 0.00 0.02 0.00 0.00 34.50 33.00 3k5n s PRO 362 CO 0.43 -0.68 1.99 0.28 -0.33 0.00 0.00 177.00 178.69 3k5n h VAL 363 N 1.49 1.15 -0.45 3.83 2.07 -1.90 -1.83 116.25 120.61 3k5n h VAL 363 Ca -0.50 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.48 3k5n h VAL 363 Cb 1.25 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 3k5n h VAL 363 CO 0.58 0.17 0.19 -0.90 0.02 0.00 0.00 177.57 177.63 3k5n n ASP 364 N -4.41 3.58 -4.22 0.57 3.85 -1.26 -4.74 116.55 109.93 3k5n n ASP 364 Ca 0.04 -2.73 -0.37 0.00 -0.71 0.00 0.00 54.79 51.01 3k5n n ASP 364 Cb 0.10 -0.65 -0.12 0.00 -1.35 0.00 0.00 41.12 39.10 3k5n n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3k5n s ARG 365 N -1.95 2.45 -0.31 0.11 6.06 -0.69 -4.97 118.95 119.65 3k5n s ARG 365 Ca 0.32 -1.35 -0.11 0.00 -2.50 0.00 0.00 55.73 52.10 3k5n s ARG 365 Cb 0.26 -3.43 -0.02 0.00 0.06 0.00 0.00 34.95 31.82 3k5n s ARG 365 CO 0.08 -0.75 0.18 -1.01 -2.50 0.00 0.00 175.30 171.29 3k5n s HIS 366 N 1.31 3.19 0.00 5.12 3.76 -1.26 -4.81 115.29 122.61 3k5n s HIS 366 Ca -0.01 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3k5n s HIS 366 Cb -0.21 -2.39 0.00 0.00 1.11 0.00 0.00 32.58 31.09 3k5n s HIS 366 CO 0.00 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 3k5n n GLY 367 N 5.03 1.81 0.00 -2.22 0.00 -1.26 -5.07 105.19 103.49 3k5n n GLY 367 Ca -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3k5n n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5n n GLY 368 N 1.67 0.93 0.39 -0.02 0.00 -1.26 -4.99 105.19 101.91 3k5n n GLY 368 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 3k5n n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k5n h SER 369 N 0.00 0.00 -0.09 1.61 0.02 -1.97 -0.16 113.55 112.96 3k5n h SER 369 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3k5n h SER 369 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k5n h SER 369 CO 0.00 0.00 -0.54 0.58 -1.14 0.00 0.00 176.83 175.73 3k5n h VAL 370 N 0.00 1.30 -0.11 2.27 2.07 -1.94 -2.27 116.25 117.57 3k5n h VAL 370 Ca 0.27 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 3k5n h VAL 370 Cb 1.11 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3k5n h VAL 370 CO -0.00 0.56 -0.37 0.00 0.02 0.00 0.00 177.57 177.78 3k5n h ALA 371 N 0.87 1.18 -0.03 1.67 0.00 -1.43 -2.51 119.26 119.01 3k5n h ALA 371 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3k5n h ALA 371 Cb 1.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k5n h ALA 371 CO 0.11 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 3k5n h ALA 372 N 1.43 0.04 -0.76 0.00 0.00 -1.27 0.16 119.26 118.85 3k5n h ALA 372 Ca 0.02 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.88 3k5n h ALA 372 Cb 0.74 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 3k5n h ALA 372 CO 0.06 -0.27 0.32 0.35 0.00 0.00 0.00 179.25 179.71 3k5n h PHE 373 N -0.29 0.55 0.23 0.00 3.57 -1.27 -0.25 116.94 119.47 3k5n h PHE 373 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3k5n h PHE 373 Cb 0.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3k5n h PHE 373 CO 0.05 0.09 -0.11 0.78 -2.23 0.00 0.00 178.31 176.89 3k5n h GLY 374 N 0.48 -0.32 0.38 2.40 0.00 -1.02 0.39 103.07 105.38 3k5n h GLY 374 Ca 0.42 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.95 3k5n h GLY 374 CO -0.39 -0.12 0.16 0.84 0.00 0.00 0.00 176.54 177.04 3k5n h HIS 375 N -0.33 0.27 -0.36 5.60 -0.00 0.62 -2.06 115.15 118.90 3k5n h HIS 375 Ca -0.03 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 3k5n h HIS 375 Cb 0.25 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 3k5n h HIS 375 CO -0.06 0.05 -0.43 -0.07 -0.00 0.00 0.00 177.93 177.42 3k5n h LEU 376 N 0.32 1.00 -0.40 0.26 4.07 -0.76 -3.36 115.31 116.44 3k5n h LEU 376 Ca 0.27 -0.49 -0.18 0.00 0.08 0.00 0.00 57.88 57.57 3k5n h LEU 376 Cb 0.35 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3k5n h LEU 376 CO -0.31 1.28 -0.63 0.22 -1.08 0.00 0.00 178.44 177.92 3k5n h TYR 377 N 0.73 0.78 -0.07 1.13 3.20 0.33 -3.38 116.97 119.70 3k5n h TYR 377 Ca 0.05 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.65 3k5n h TYR 377 Cb 1.03 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 3k5n h TYR 377 CO 0.07 1.07 -0.16 0.74 -1.64 0.00 0.00 178.16 178.24 3k5n h PHE 378 N 0.44 -0.42 -0.20 -3.82 -1.00 -1.53 0.12 116.94 110.53 3k5n h PHE 378 Ca -0.01 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.84 3k5n h PHE 378 Cb 1.21 0.20 -0.07 0.00 3.61 0.00 0.00 35.95 40.90 3k5n h PHE 378 CO 0.06 -0.24 -0.33 -1.35 -1.61 0.00 0.00 178.31 174.84 3k5n h PRO 379 N -0.23 -0.36 -0.92 1.51 0.10 -1.78 1.68 132.00 132.00 3k5n h PRO 379 Ca 0.07 0.02 0.02 0.00 0.10 0.00 0.00 66.00 66.21 3k5n h PRO 379 Cb 0.34 0.08 -0.05 0.00 0.10 0.00 0.00 31.00 31.47 3k5n h PRO 379 CO -0.20 -0.24 0.61 0.00 0.10 0.00 0.00 178.00 178.26 3k5n h ARG 380 N -0.37 1.19 -0.23 1.05 3.08 -1.67 -0.67 114.38 116.76 3k5n h ARG 380 Ca 0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3k5n h ARG 380 Cb 0.55 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3k5n h ARG 380 CO -0.40 0.79 0.01 1.98 -1.07 0.00 0.00 179.97 181.27 3k5n h MET 381 N 1.22 0.40 -0.70 0.04 1.85 0.84 -1.83 114.93 116.76 3k5n h MET 381 Ca 0.35 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 59.30 3k5n h MET 381 Cb -0.10 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 3k5n h MET 381 CO -0.09 0.57 0.37 0.45 -0.40 0.00 0.00 176.91 177.82 3k5n h HIS 382 N 0.18 0.95 0.00 1.39 3.86 0.29 0.34 115.15 122.16 3k5n h HIS 382 Ca 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3k5n h HIS 382 Cb 0.39 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3k5n h HIS 382 CO 0.03 0.67 0.00 0.54 0.86 0.00 0.00 177.93 180.03 3k5n n ARG 383 N -4.36 0.89 -0.05 2.45 1.74 -0.30 -1.34 116.66 115.70 3k5n n ARG 383 Ca 0.07 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.23 3k5n n ARG 383 Cb 0.11 -1.40 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3k5n n ARG 383 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k5n n ALA 384 N -0.90 2.43 -1.01 7.54 0.00 0.12 -5.00 120.51 123.69 3k5n n ALA 384 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3k5n n ALA 384 Cb 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3k5n n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5n n GLY 385 N 0.90 0.53 3.33 0.00 0.00 -0.45 -5.04 105.19 104.46 3k5n n GLY 385 Ca 0.11 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 3k5n n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5n s TYR 386 N -2.00 1.57 0.17 1.61 2.02 -1.14 -2.67 117.35 116.91 3k5n s TYR 386 Ca 0.00 -0.98 0.06 0.00 -0.37 0.00 0.00 57.07 55.79 3k5n s TYR 386 Cb 0.00 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3k5n s TYR 386 CO 0.00 -0.10 -0.13 0.14 -1.57 0.00 0.00 175.55 173.89 3k5n s VAL 387 N -3.48 1.50 0.09 0.71 -7.23 -0.04 -4.05 120.40 107.90 3k5n s VAL 387 Ca 0.30 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 3k5n s VAL 387 Cb 0.06 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 3k5n s VAL 387 CO 0.10 -0.61 1.76 0.00 -0.31 0.00 0.00 175.10 176.03 3k5n s ALA 388 N -2.94 3.72 1.22 1.32 0.00 -1.26 -4.28 121.76 119.54 3k5n s ALA 388 Ca 0.18 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 3k5n s ALA 388 Cb -0.00 -3.74 0.26 0.00 0.00 0.00 0.00 23.12 19.64 3k5n s ALA 388 CO 0.04 -1.19 0.57 -2.30 0.00 0.00 0.00 175.76 172.88 3k5n n PRO 389 N 5.73 -3.19 -4.46 0.00 -0.02 -1.26 -4.14 135.00 127.66 3k5n n PRO 389 Ca 0.17 -0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 60.48 3k5n n PRO 389 Cb 0.39 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 3k5n n PRO 389 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3k5n s ASN 390 N -2.41 3.51 0.71 2.55 0.01 -1.26 -4.70 114.94 113.35 3k5n s ASN 390 Ca 0.55 -1.04 -0.16 0.00 -0.71 0.00 0.00 52.86 51.49 3k5n s ASN 390 Cb -0.12 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.27 3k5n s ASN 390 CO 0.51 0.00 1.14 0.18 -1.51 0.00 0.00 177.10 177.42 3k5n n LEU 391 N -0.61 4.66 0.00 0.60 4.32 -1.26 -2.90 117.00 121.81 3k5n n LEU 391 Ca -0.05 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 3k5n n LEU 391 Cb 0.60 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 3k5n n LEU 391 CO 0.38 -1.57 0.00 0.61 -1.22 0.00 0.00 177.39 175.59 3k5n n GLY 392 N 0.92 0.44 0.00 -0.72 0.00 -1.26 -4.86 105.19 99.71 3k5n n GLY 392 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3k5n n GLY 392 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k5n n GLU 393 N -1.88 0.19 -3.84 1.61 2.13 -1.14 -4.68 120.64 113.02 3k5n n GLU 393 Ca 0.00 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 57.84 3k5n n GLU 393 Cb 0.11 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 3k5n n GLU 393 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3k5n s VAL 394 N -2.70 0.10 -0.08 6.31 1.01 -1.26 -5.08 120.40 118.70 3k5n s VAL 394 Ca 0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3k5n s VAL 394 Cb 0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3k5n s VAL 394 CO 0.31 -0.46 -0.03 -2.16 0.00 0.00 0.00 175.10 172.76 3k5n s PRO 395 N -2.31 2.92 0.48 2.72 0.04 -1.26 -4.99 135.00 132.60 3k5n s PRO 395 Ca -0.07 -0.48 -0.23 0.00 0.04 0.00 0.00 61.00 60.27 3k5n s PRO 395 Cb -0.02 -2.71 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 3k5n s PRO 395 CO -0.02 0.66 1.07 -2.30 0.04 0.00 0.00 177.00 176.44 3k5n n PRO 396 N 2.26 1.36 -4.00 0.56 -0.02 -1.26 -4.77 135.00 129.12 3k5n n PRO 396 Ca -0.18 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 3k5n n PRO 396 Cb 0.53 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.71 3k5n n PRO 396 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k5n s HIS 397 N -1.34 0.33 0.07 6.00 2.46 -1.26 -5.07 115.29 116.49 3k5n s HIS 397 Ca 0.67 -0.33 -0.22 0.00 0.47 0.00 0.00 55.06 55.64 3k5n s HIS 397 Cb -0.49 -0.21 -0.13 0.00 -0.13 0.00 0.00 32.58 31.61 3k5n s HIS 397 CO 0.54 -0.09 1.59 0.00 -2.47 0.00 0.00 174.74 174.30 3k5n h ALA 398 N 5.17 0.12 -6.67 1.58 0.00 -2.04 -3.46 119.26 113.95 3k5n h ALA 398 Ca -0.30 -0.10 -0.45 0.00 0.00 0.00 0.00 54.91 54.05 3k5n h ALA 398 Cb 1.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k5n h ALA 398 CO 0.45 -0.29 -1.16 -1.13 0.00 0.00 0.00 179.25 177.12 3k5n n SER 399 N -4.92 -5.12 -0.01 0.00 3.41 -1.26 -4.70 113.62 101.02 3k5n n SER 399 Ca -0.06 -0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 57.85 3k5n n SER 399 Cb 0.12 -1.64 -0.03 0.00 -0.26 0.00 0.00 64.21 62.40 3k5n n SER 399 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3k5n h PRO 400 N 0.80 -0.34 0.00 4.33 0.13 -2.07 -3.46 132.00 131.39 3k5n h PRO 400 Ca -0.61 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3k5n h PRO 400 Cb 1.41 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.62 3k5n h PRO 400 CO 0.31 -0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 3k5n n GLY 401 N -1.40 0.02 0.00 1.56 0.00 -1.26 -5.04 105.19 99.08 3k5n n GLY 401 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3k5n n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5n n GLY 402 N 0.00 2.71 3.12 -0.02 0.00 -1.26 -5.14 105.19 104.59 3k5n n GLY 402 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 3k5n n GLY 402 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k5n s TYR 403 N 0.00 -0.13 -0.13 1.61 5.04 -1.26 -5.15 117.35 117.34 3k5n s TYR 403 Ca 0.00 0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.86 3k5n s TYR 403 Cb 0.00 0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.40 3k5n s TYR 403 CO 0.00 -0.21 0.28 0.08 -1.34 0.00 0.00 175.55 174.36 3k5n s VAL 404 N -0.60 -0.22 -0.23 3.14 1.01 -1.26 -5.11 120.40 117.13 3k5n s VAL 404 Ca -0.07 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 3k5n s VAL 404 Cb -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3k5n s VAL 404 CO 0.01 0.08 0.65 -0.32 0.00 0.00 0.00 175.10 175.52 3k5n s MET 405 N 1.81 4.16 0.26 2.72 1.75 -1.26 -4.98 119.30 123.76 3k5n s MET 405 Ca -0.05 0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 54.70 3k5n s MET 405 Cb -0.11 -3.62 -0.11 0.00 2.84 0.00 0.00 34.83 33.84 3k5n s MET 405 CO -0.09 -0.34 1.55 0.16 -0.65 0.00 0.00 175.02 175.64 3k5n s ASP 406 N 1.34 6.50 0.61 1.11 1.47 -1.26 -4.13 116.67 122.30 3k5n s ASP 406 Ca 0.28 2.80 -0.16 0.00 1.18 0.00 0.00 52.55 56.65 3k5n s ASP 406 Cb -0.16 -2.62 -0.03 0.00 -0.34 0.00 0.00 42.92 39.77 3k5n s ASP 406 CO 0.09 -0.83 1.09 -0.55 0.68 0.00 0.00 175.17 175.65 3k5n s SER 407 N 0.57 5.54 -0.49 2.11 0.15 -1.26 -4.52 113.70 115.80 3k5n s SER 407 Ca 0.64 1.94 0.07 0.00 0.70 0.00 0.00 55.95 59.30 3k5n s SER 407 Cb -0.45 -2.55 0.24 0.00 -1.71 0.00 0.00 66.02 61.55 3k5n s SER 407 CO 0.43 -1.34 0.58 -1.14 1.20 0.00 0.00 173.24 172.97 3k5n n ARG 408 N -2.04 1.33 -1.71 5.44 3.00 -0.25 -4.99 116.66 117.44 3k5n n ARG 408 Ca 0.10 -3.76 -0.42 0.00 -0.00 0.00 0.00 57.85 53.77 3k5n n ARG 408 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.34 3k5n n ARG 408 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3k5n n PRO 409 N 1.36 2.18 -3.48 -0.14 -0.04 -1.26 -4.87 135.00 128.74 3k5n n PRO 409 Ca 0.25 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 3k5n n PRO 409 Cb 0.48 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3k5n n PRO 409 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k5n n GLY 410 N 0.72 -1.27 3.11 0.55 0.00 0.39 -4.95 105.19 103.73 3k5n n GLY 410 Ca 0.05 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 3k5n n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k5n s LEU 411 N 0.00 1.90 0.15 0.99 2.96 -1.26 -1.35 118.68 122.07 3k5n s LEU 411 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3k5n s LEU 411 Cb 0.00 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 3k5n s LEU 411 CO 0.00 0.14 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.76 3k5n s TYR 412 N 0.04 1.28 -0.20 5.38 2.02 0.25 -4.98 117.35 121.14 3k5n s TYR 412 Ca -0.03 -0.76 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3k5n s TYR 412 Cb -0.11 -0.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 3k5n s TYR 412 CO 0.02 0.08 0.04 -0.51 -1.57 0.00 0.00 175.55 173.61 3k5n s ASP 413 N -3.17 5.25 -0.18 2.29 1.01 -1.26 -1.06 116.67 119.54 3k5n s ASP 413 Ca 0.17 -0.08 -0.09 0.00 0.71 0.00 0.00 52.55 53.26 3k5n s ASP 413 Cb 0.03 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 42.08 3k5n s ASP 413 CO 0.01 0.09 0.18 -1.20 0.21 0.00 0.00 175.17 174.46 3k5n n SER 414 N 4.08 -2.55 -4.07 0.27 7.64 0.41 -3.95 113.62 115.45 3k5n n SER 414 Ca -0.17 1.29 -0.20 0.00 1.01 0.00 0.00 58.87 60.81 3k5n n SER 414 Cb 0.52 -4.73 -0.15 0.00 -1.01 0.00 0.00 64.21 58.85 3k5n n SER 414 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k5n s VAL 415 N -0.74 0.91 -0.09 0.44 1.01 -0.35 -2.09 120.40 119.48 3k5n s VAL 415 Ca -0.21 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3k5n s VAL 415 Cb 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3k5n s VAL 415 CO 0.68 0.24 -0.16 -0.76 0.00 0.00 0.00 175.10 175.10 3k5n s LEU 416 N -0.31 2.60 -0.22 3.92 1.02 -0.04 -0.64 118.68 125.01 3k5n s LEU 416 Ca 0.04 -0.32 -0.08 0.00 0.02 0.00 0.00 54.13 53.79 3k5n s LEU 416 Cb -0.05 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 3k5n s LEU 416 CO -0.00 0.24 0.09 -0.69 0.02 0.00 0.00 176.35 176.01 3k5n s VAL 417 N -0.10 4.76 0.11 -1.59 1.01 0.22 -0.82 120.40 124.00 3k5n s VAL 417 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3k5n s VAL 417 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3k5n s VAL 417 CO 0.04 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.55 3k5n s LEU 418 N 1.04 2.56 0.05 3.92 1.02 -0.74 -1.37 118.68 125.16 3k5n s LEU 418 Ca 0.05 -0.60 -0.01 0.00 0.02 0.00 0.00 54.13 53.59 3k5n s LEU 418 Cb -0.14 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 3k5n s LEU 418 CO 0.03 0.19 -0.03 -1.81 0.02 0.00 0.00 176.35 174.76 3k5n s ASP 419 N -2.01 0.47 -0.15 2.29 1.01 -0.00 -0.95 116.67 117.33 3k5n s ASP 419 Ca 0.16 -0.97 -0.01 0.00 0.71 0.00 0.00 52.55 52.44 3k5n s ASP 419 Cb -0.10 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.01 3k5n s ASP 419 CO 0.08 -0.59 -0.11 -0.31 0.21 0.00 0.00 175.17 174.45 3k5n s TYR 420 N -3.82 2.86 0.10 4.23 2.02 -0.61 0.12 117.35 122.26 3k5n s TYR 420 Ca 0.06 -0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 55.74 3k5n s TYR 420 Cb 0.07 -1.91 -0.10 0.00 -0.40 0.00 0.00 41.96 39.62 3k5n s TYR 420 CO -0.10 -0.29 1.83 0.15 -1.57 0.00 0.00 175.55 175.57 3k5n s LYS 421 N 0.62 4.14 -0.73 -0.62 -0.14 -0.50 -3.68 119.74 118.83 3k5n s LYS 421 Ca -0.06 2.57 -0.13 0.00 -1.36 0.00 0.00 55.97 56.98 3k5n s LYS 421 Cb -0.15 -3.67 0.02 0.00 -1.68 0.00 0.00 37.83 32.34 3k5n s LYS 421 CO 0.03 -0.85 0.46 0.43 -0.76 0.00 0.00 175.35 174.66 3k5n n SER 422 N 5.93 -3.15 -0.04 2.83 7.64 -1.26 -4.50 113.62 121.07 3k5n n SER 422 Ca 0.18 -0.82 -0.11 0.00 1.01 0.00 0.00 58.87 59.13 3k5n n SER 422 Cb 0.39 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 3k5n n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k5n h LEU 423 N -0.48 0.21 -1.44 -3.43 5.85 -1.97 0.35 115.31 114.39 3k5n h LEU 423 Ca -0.49 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3k5n h LEU 423 Cb 1.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3k5n h LEU 423 CO 0.32 0.23 0.02 1.88 -0.34 0.00 0.00 178.44 180.55 3k5n h TYR 424 N 0.17 0.39 -0.01 1.25 0.05 -1.94 0.11 116.97 116.99 3k5n h TYR 424 Ca 0.06 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.65 3k5n h TYR 424 Cb 0.07 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3k5n h TYR 424 CO -0.04 0.38 -0.76 -1.35 -1.05 0.00 0.00 178.16 175.34 3k5n h PRO 425 N 0.38 0.13 -0.06 4.88 0.11 -1.73 -1.08 132.00 134.63 3k5n h PRO 425 Ca 0.09 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3k5n h PRO 425 Cb 0.22 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.30 3k5n h PRO 425 CO 0.00 0.83 -0.38 0.77 -0.21 0.00 0.00 178.00 179.01 3k5n h SER 426 N 0.08 -1.16 -0.42 -2.05 0.02 0.20 -1.66 113.55 108.56 3k5n h SER 426 Ca -0.02 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3k5n h SER 426 Cb 1.33 0.47 -0.05 0.00 0.14 0.00 0.00 62.40 64.29 3k5n h SER 426 CO 0.11 -0.42 0.12 0.40 -1.14 0.00 0.00 176.83 175.91 3k5n h ILE 427 N -0.50 0.83 -0.36 3.27 2.04 -0.79 0.26 117.51 122.26 3k5n h ILE 427 Ca 0.07 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3k5n h ILE 427 Cb 0.61 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3k5n h ILE 427 CO -0.33 0.05 0.08 0.40 0.00 0.00 0.00 178.15 178.35 3k5n h ILE 428 N 0.27 0.83 -0.02 -0.67 2.04 -0.59 1.10 117.51 120.47 3k5n h ILE 428 Ca 0.20 -0.07 -0.24 0.00 1.00 0.00 0.00 64.86 65.75 3k5n h ILE 428 Cb 0.22 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3k5n h ILE 428 CO -0.23 0.04 -0.94 0.08 0.00 0.00 0.00 178.15 177.10 3k5n h ARG 429 N 0.21 0.55 0.44 2.37 0.11 -1.00 -0.90 114.38 116.16 3k5n h ARG 429 Ca 0.17 -0.56 -0.02 0.00 0.10 0.00 0.00 59.98 59.67 3k5n h ARG 429 Cb 0.19 0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3k5n h ARG 429 CO -0.21 1.18 -0.21 1.15 0.10 0.00 0.00 179.97 181.98 3k5n h THR 430 N 0.32 0.56 -0.21 0.08 2.02 0.18 -3.14 112.91 112.71 3k5n h THR 430 Ca -0.09 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3k5n h THR 430 Cb 1.57 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3k5n h THR 430 CO 0.17 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.59 3k5n n PHE 431 N -5.29 0.28 -3.72 3.16 3.72 0.37 -4.53 117.46 111.45 3k5n n PHE 431 Ca -0.11 -0.14 -0.24 0.00 -0.05 0.00 0.00 57.45 56.91 3k5n n PHE 431 Cb 0.28 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 3k5n n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k5n n LEU 432 N 0.18 -3.04 -4.60 4.37 4.77 -0.39 -4.91 117.00 113.39 3k5n n LEU 432 Ca 0.11 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 3k5n n LEU 432 Cb 0.23 -2.54 -0.07 0.00 -2.33 0.00 0.00 43.42 38.72 3k5n n LEU 432 CO 0.08 0.41 0.37 -0.63 -1.33 0.00 0.00 177.39 176.29 3k5n s ILE 433 N -3.66 4.95 0.04 -0.08 1.09 -0.94 -4.77 121.20 117.84 3k5n s ILE 433 Ca 0.15 0.87 -0.08 0.00 -1.10 0.00 0.00 60.65 60.48 3k5n s ILE 433 Cb -0.05 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 3k5n s ILE 433 CO 0.84 -0.11 0.17 -0.62 -0.10 0.00 0.00 174.94 175.11 3k5n s ASP 434 N 1.62 0.07 0.00 3.58 3.68 -1.26 -4.45 116.67 119.92 3k5n s ASP 434 Ca 0.25 -0.40 -0.24 0.00 2.13 0.00 0.00 52.55 54.29 3k5n s ASP 434 Cb -0.15 0.27 -0.18 0.00 -1.45 0.00 0.00 42.92 41.41 3k5n s ASP 434 CO 0.11 -0.54 1.31 -0.65 0.13 0.00 0.00 175.17 175.54 3k5n h PRO 435 N 3.53 0.13 0.00 4.34 0.11 -1.96 -2.92 132.00 135.23 3k5n h PRO 435 Ca -0.32 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3k5n h PRO 435 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k5n h PRO 435 CO 0.49 0.56 -0.10 0.28 -0.21 0.00 0.00 178.00 179.01 3k5n h VAL 436 N -0.30 0.23 0.00 3.15 2.07 -1.97 -2.95 116.25 116.48 3k5n h VAL 436 Ca 0.01 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 3k5n h VAL 436 Cb 0.53 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3k5n h VAL 436 CO 0.01 0.10 -0.71 1.23 0.02 0.00 0.00 177.57 178.22 3k5n h GLY 437 N 2.44 0.00 0.98 2.17 0.00 -1.66 -1.97 103.07 105.02 3k5n h GLY 437 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3k5n h GLY 437 CO 0.01 0.00 -0.35 -2.00 0.00 0.00 0.00 176.54 174.20 3k5n h LEU 438 N 0.00 0.76 0.06 3.11 5.85 -1.34 0.29 115.31 124.04 3k5n h LEU 438 Ca -0.01 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 3k5n h LEU 438 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3k5n h LEU 438 CO 0.09 1.11 -0.03 0.58 -0.34 0.00 0.00 178.44 179.86 3k5n h VAL 439 N 0.42 1.01 -0.18 1.05 2.07 -1.52 1.28 116.25 120.40 3k5n h VAL 439 Ca 0.03 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3k5n h VAL 439 Cb 0.94 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3k5n h VAL 439 CO 0.08 0.06 -0.42 -0.33 0.02 0.00 0.00 177.57 176.99 3k5n h GLU 440 N -0.19 0.41 -0.26 1.57 4.39 -1.41 -3.03 114.58 116.06 3k5n h GLU 440 Ca -0.01 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3k5n h GLU 440 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3k5n h GLU 440 CO 0.01 0.76 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 3k5n n GLY 441 N -0.07 1.15 0.55 -3.84 0.00 0.26 -3.34 105.19 99.90 3k5n n GLY 441 Ca -0.02 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.50 3k5n n GLY 441 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3k5n n MET 442 N 1.09 1.55 -0.15 1.61 0.00 0.44 -3.53 117.12 118.13 3k5n n MET 442 Ca 0.18 -1.11 0.05 0.00 0.00 0.00 0.00 57.70 56.82 3k5n n MET 442 Cb 0.52 -1.48 0.14 0.00 0.00 0.00 0.00 33.22 32.40 3k5n n MET 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k5n n ALA 443 N 0.25 2.20 -2.88 -5.12 0.00 -1.21 -4.55 120.51 109.19 3k5n n ALA 443 Ca 0.14 -1.08 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 3k5n n ALA 443 Cb 0.44 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.52 3k5n n ALA 443 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k5n n GLN 444 N 0.48 0.94 -0.72 0.00 6.02 -1.23 -5.03 117.38 117.83 3k5n n GLN 444 Ca 0.11 -2.35 -0.10 0.00 -0.01 0.00 0.00 57.00 54.65 3k5n n GLN 444 Cb 0.40 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 3k5n n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k5n n PRO 445 N 0.67 1.49 -4.72 -1.09 -0.04 -1.25 -4.47 135.00 125.60 3k5n n PRO 445 Ca 0.12 -0.77 -0.23 0.00 -0.04 0.00 0.00 63.50 62.58 3k5n n PRO 445 Cb 0.66 -1.90 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 3k5n n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3k5n s ASP 446 N 2.34 1.82 0.00 3.54 3.84 -1.26 -5.03 116.67 121.92 3k5n s ASP 446 Ca 0.48 -0.28 -0.00 0.00 -0.00 0.00 0.00 52.55 52.74 3k5n s ASP 446 Cb 0.22 -0.27 -0.01 0.00 -1.38 0.00 0.00 42.92 41.48 3k5n s ASP 446 CO -0.00 0.18 0.94 -0.81 -0.00 0.00 0.00 175.17 175.48 3k5n n PRO 447 N 2.81 0.47 -0.00 2.11 -0.04 -1.26 -2.27 135.00 136.81 3k5n n PRO 447 Ca -0.15 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3k5n n PRO 447 Cb 0.54 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3k5n n PRO 447 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3k5n n GLU 448 N 1.88 1.70 -1.08 0.54 2.13 -1.26 -4.67 120.64 119.90 3k5n n GLU 448 Ca 0.02 -0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.86 3k5n n GLU 448 Cb 0.23 -1.05 0.13 0.00 0.27 0.00 0.00 31.44 31.02 3k5n n GLU 448 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3k5n n HIS 449 N -1.80 0.22 -3.61 4.31 -0.00 -0.96 -4.96 115.22 108.42 3k5n n HIS 449 Ca -0.02 -1.24 0.00 0.00 -0.00 0.00 0.00 57.72 56.47 3k5n n HIS 449 Cb 0.28 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.04 3k5n n HIS 449 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3k5n s SER 450 N -2.87 -0.07 0.03 0.41 0.01 -1.22 -2.71 113.70 107.27 3k5n s SER 450 Ca 0.37 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.59 3k5n s SER 450 Cb 0.38 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 3k5n s SER 450 CO -0.10 -0.27 -0.18 0.42 0.41 0.00 0.00 173.24 173.53 3k5n s THR 451 N -2.41 1.40 0.40 1.44 -4.23 -0.11 -4.40 115.64 107.73 3k5n s THR 451 Ca 0.13 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 3k5n s THR 451 Cb 0.03 -1.22 -0.09 0.00 1.34 0.00 0.00 72.50 72.57 3k5n s THR 451 CO -0.04 0.19 1.25 -0.70 -0.54 0.00 0.00 174.62 174.78 3k5n s GLU 452 N -0.96 4.02 0.00 3.99 2.12 -1.26 -1.70 118.70 124.91 3k5n s GLU 452 Ca 0.05 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.42 3k5n s GLU 452 Cb -0.08 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.56 3k5n s GLU 452 CO 0.01 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 3k5n n GLY 453 N 0.68 3.14 3.30 -1.50 0.00 0.85 -4.90 105.19 106.76 3k5n n GLY 453 Ca 0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 3k5n n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k5n s PHE 454 N 4.04 1.60 -0.21 1.61 0.08 -1.26 -4.66 117.98 119.17 3k5n s PHE 454 Ca 0.00 -0.55 -0.00 0.00 0.12 0.00 0.00 56.93 56.50 3k5n s PHE 454 Cb 0.00 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 3k5n s PHE 454 CO 0.00 0.25 0.03 1.28 -0.10 0.00 0.00 175.22 176.68 3k5n n LEU 455 N 0.19 -1.32 -3.78 -0.37 4.32 -1.26 -3.32 117.00 111.47 3k5n n LEU 455 Ca -0.13 -0.01 -0.23 0.00 -0.02 0.00 0.00 56.01 55.62 3k5n n LEU 455 Cb 0.58 -0.80 0.02 0.00 -1.62 0.00 0.00 43.42 41.60 3k5n n LEU 455 CO 0.30 -0.01 -0.13 0.47 -1.22 0.00 0.00 177.39 176.81 3k5n n ASP 456 N 1.41 -1.21 -4.59 -1.43 8.00 -1.26 -4.93 116.55 112.53 3k5n n ASP 456 Ca -0.02 -0.90 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 3k5n n ASP 456 Cb 0.52 -3.68 -0.11 0.00 -0.02 0.00 0.00 41.12 37.83 3k5n n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k5n s ALA 457 N -3.75 3.00 -0.02 2.24 0.00 -1.21 -5.01 121.76 117.01 3k5n s ALA 457 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3k5n s ALA 457 Cb -0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 3k5n s ALA 457 CO 0.84 0.60 -0.11 -1.58 0.00 0.00 0.00 175.76 175.51 3k5n s TRP 458 N -0.92 1.06 -0.11 0.00 0.52 -1.26 -0.10 118.94 118.13 3k5n s TRP 458 Ca 0.15 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.03 3k5n s TRP 458 Cb -0.11 -0.72 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 3k5n s TRP 458 CO 0.05 -0.07 -0.13 -0.06 0.02 0.00 0.00 176.95 176.76 3k5n s PHE 459 N -0.03 2.80 1.08 -1.98 0.08 -0.69 -3.80 117.98 115.44 3k5n s PHE 459 Ca 0.00 -0.48 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 3k5n s PHE 459 Cb -0.07 -1.79 0.19 0.00 -0.57 0.00 0.00 43.02 40.78 3k5n s PHE 459 CO 0.00 -0.08 0.80 0.45 -0.10 0.00 0.00 175.22 176.28 3k5n n SER 460 N 3.18 -1.37 -0.03 1.36 2.88 0.76 -0.93 113.62 119.46 3k5n n SER 460 Ca -0.18 0.05 0.01 0.00 -1.33 0.00 0.00 58.87 57.42 3k5n n SER 460 Cb 0.53 -1.26 -0.10 0.00 -0.75 0.00 0.00 64.21 62.63 3k5n n SER 460 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k5n n ARG 461 N -3.89 1.11 -0.00 -1.46 1.74 -1.10 -4.66 116.66 108.41 3k5n n ARG 461 Ca 0.05 -0.07 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 3k5n n ARG 461 Cb 0.55 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3k5n n ARG 461 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3k5n n GLU 462 N -2.19 2.15 -3.91 5.56 -0.58 -1.26 -4.89 120.64 115.51 3k5n n GLU 462 Ca -0.11 -0.04 -0.34 0.00 -0.42 0.00 0.00 57.16 56.25 3k5n n GLU 462 Cb 0.61 -1.03 -0.13 0.00 -0.57 0.00 0.00 31.44 30.32 3k5n n GLU 462 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3k5n s LYS 463 N -2.14 2.08 -0.01 3.49 -0.14 -1.26 -5.05 119.74 116.70 3k5n s LYS 463 Ca -0.00 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 52.75 3k5n s LYS 463 Cb 0.05 -3.28 0.10 0.00 -1.68 0.00 0.00 37.83 33.02 3k5n s LYS 463 CO 0.30 -0.82 0.87 -3.38 -0.76 0.00 0.00 175.35 171.56 3k5n s HIS 464 N 1.13 -0.37 0.00 3.18 -3.43 -1.26 -3.87 115.29 110.67 3k5n s HIS 464 Ca 0.02 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 3k5n s HIS 464 Cb -0.21 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 3k5n s HIS 464 CO -0.04 -0.55 0.00 0.00 -2.00 0.00 0.00 174.74 172.15 3k5n h LEU 466 N 0.00 0.39 -0.82 0.00 5.85 -1.97 -1.71 115.31 117.06 3k5n h LEU 466 Ca 0.00 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.68 3k5n h LEU 466 Cb 0.90 -0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 3k5n h LEU 466 CO 0.00 0.46 -0.33 -0.65 -0.34 0.00 0.00 178.44 177.57 3k5n h PRO 467 N 0.30 -0.06 -0.24 5.25 0.11 -1.80 0.27 132.00 135.82 3k5n h PRO 467 Ca 0.09 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 3k5n h PRO 467 Cb 0.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3k5n h PRO 467 CO -0.01 -0.04 -0.37 1.05 -0.21 0.00 0.00 178.00 178.43 3k5n h GLU 468 N -0.06 0.54 -0.67 1.05 9.09 -1.86 -1.12 114.58 121.55 3k5n h GLU 468 Ca 0.32 -0.26 0.04 0.00 0.05 0.00 0.00 59.36 59.51 3k5n h GLU 468 Cb 0.59 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.64 3k5n h GLU 468 CO -0.85 0.83 0.40 0.82 0.05 0.00 0.00 179.01 180.26 3k5n h ILE 469 N 0.45 1.05 0.00 -1.06 2.04 0.38 -0.02 117.51 120.36 3k5n h ILE 469 Ca 0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3k5n h ILE 469 Cb 0.85 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3k5n h ILE 469 CO 0.07 0.14 -0.48 1.62 0.00 0.00 0.00 178.15 179.51 3k5n h VAL 470 N 0.78 0.00 -0.09 1.67 3.04 -0.84 -2.96 116.25 117.85 3k5n h VAL 470 Ca 0.28 -0.83 -0.24 0.00 -1.01 0.00 0.00 66.70 64.90 3k5n h VAL 470 Cb 0.07 1.57 0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3k5n h VAL 470 CO -0.13 0.00 -0.87 0.71 -1.01 0.00 0.00 177.57 176.27 3k5n h THR 471 N 0.00 1.28 -0.37 3.17 1.35 -0.55 -1.01 112.91 116.77 3k5n h THR 471 Ca 0.00 -2.07 0.03 0.00 -0.55 0.00 0.00 66.41 63.82 3k5n h THR 471 Cb 0.91 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 3k5n h THR 471 CO 0.00 0.65 0.25 0.78 -0.25 0.00 0.00 175.52 176.95 3k5n h ASN 472 N 0.47 0.33 -0.18 5.36 -0.26 -1.06 0.12 115.58 120.37 3k5n h ASN 472 Ca -0.08 -0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.50 3k5n h ASN 472 Cb 1.51 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.69 3k5n h ASN 472 CO 0.18 0.23 -0.43 0.40 -1.06 0.00 0.00 177.43 176.75 3k5n h ILE 473 N 0.39 1.29 0.20 2.81 2.04 -1.31 -0.33 117.51 122.60 3k5n h ILE 473 Ca 0.15 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3k5n h ILE 473 Cb 0.13 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3k5n h ILE 473 CO -0.03 0.52 -0.09 -0.25 0.00 0.00 0.00 178.15 178.29 3k5n h TRP 474 N 0.59 -0.24 -0.49 1.37 2.91 0.15 0.21 115.95 120.46 3k5n h TRP 474 Ca 0.04 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.13 3k5n h TRP 474 Cb 0.99 0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 29.65 3k5n h TRP 474 CO 0.05 0.10 0.13 0.45 -1.03 0.00 0.00 178.44 178.14 3k5n h HIS 475 N -0.61 0.22 -0.59 2.65 3.86 -0.80 0.34 115.15 120.23 3k5n h HIS 475 Ca -0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3k5n h HIS 475 Cb 0.45 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3k5n h HIS 475 CO 0.03 0.04 0.33 0.78 0.86 0.00 0.00 177.93 179.98 3k5n h GLY 476 N 0.28 0.87 0.71 2.45 0.00 -0.95 0.34 103.07 106.77 3k5n h GLY 476 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3k5n h GLY 476 CO -0.28 0.37 -0.42 -0.09 0.00 0.00 0.00 176.54 176.11 3k5n h ARG 477 N 0.79 -0.92 0.00 4.80 1.12 0.15 0.26 114.38 120.57 3k5n h ARG 477 Ca 0.21 0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.14 3k5n h ARG 477 Cb 0.03 0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.19 3k5n h ARG 477 CO -0.04 -0.61 -0.01 -0.44 -3.11 0.00 0.00 179.97 175.76 3k5n h ASP 478 N -0.96 0.00 -0.35 -3.80 5.19 -0.34 -0.97 116.42 115.20 3k5n h ASP 478 Ca -0.06 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 3k5n h ASP 478 Cb 0.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3k5n h ASP 478 CO 0.02 0.01 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.02 3k5n h GLU 479 N 0.00 0.64 -0.94 3.56 4.57 0.78 -3.07 114.58 120.13 3k5n h GLU 479 Ca -0.00 -0.23 0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3k5n h GLU 479 Cb 0.03 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 3k5n h GLU 479 CO 0.00 0.78 0.58 0.00 -1.18 0.00 0.00 179.01 179.20 3k5n h ALA 480 N 0.83 1.34 -3.19 2.92 0.00 0.84 -3.38 119.26 118.63 3k5n h ALA 480 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3k5n h ALA 480 Cb 0.52 -0.23 0.05 0.00 0.00 0.00 0.00 17.79 18.14 3k5n h ALA 480 CO 0.03 0.27 0.08 0.36 0.00 0.00 0.00 179.25 179.99 3k5n n LYS 481 N -4.61 -0.92 -3.71 0.00 2.85 -1.11 -1.91 118.16 108.74 3k5n n LYS 481 Ca 0.15 -0.55 -0.29 0.00 -1.05 0.00 0.00 58.31 56.58 3k5n n LYS 481 Cb 0.25 -0.42 0.03 0.00 -0.65 0.00 0.00 35.03 34.24 3k5n n LYS 481 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3k5n n ARG 482 N -2.09 -2.02 0.00 -1.58 3.00 -1.26 -4.16 116.66 108.55 3k5n n ARG 482 Ca 0.05 0.48 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3k5n n ARG 482 Cb 0.17 -4.38 0.00 0.00 0.00 0.00 0.00 32.46 28.25 3k5n n ARG 482 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3k5n n GLN 483 N -4.19 0.00 -2.38 -0.14 7.27 -1.21 -4.92 117.38 111.81 3k5n n GLN 483 Ca -0.15 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.75 3k5n n GLN 483 Cb 0.62 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.26 3k5n n GLN 483 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k5n n GLY 484 N 0.00 -0.41 2.61 1.69 0.00 -0.98 -4.84 105.19 103.26 3k5n n GLY 484 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3k5n n GLY 484 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k5n n ASN 485 N -1.87 7.44 -0.32 1.61 2.85 -0.80 -4.78 115.26 119.38 3k5n n ASN 485 Ca -0.20 -3.35 0.19 0.00 -0.11 0.00 0.00 54.58 51.11 3k5n n ASN 485 Cb 0.65 -1.30 0.37 0.00 1.24 0.00 0.00 39.78 40.74 3k5n n ASN 485 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3k5n h LYS 486 N 4.62 0.09 -0.68 1.20 1.57 -1.88 0.12 116.57 121.61 3k5n h LYS 486 Ca 0.58 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.43 3k5n h LYS 486 Cb 0.36 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3k5n h LYS 486 CO 1.38 0.06 0.36 -1.00 -0.57 0.00 0.00 179.45 179.67 3k5n h PRO 487 N 0.09 0.62 -0.12 3.15 0.13 -1.97 -0.58 132.00 133.32 3k5n h PRO 487 Ca 0.65 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.73 3k5n h PRO 487 Cb 1.47 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3k5n h PRO 487 CO -0.78 0.41 0.01 1.25 -0.23 0.00 0.00 178.00 178.66 3k5n h LEU 488 N 0.64 0.20 0.21 1.56 6.46 -1.14 -2.60 115.31 120.64 3k5n h LEU 488 Ca 0.32 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3k5n h LEU 488 Cb 0.26 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 3k5n h LEU 488 CO -0.22 0.43 -0.10 0.28 -0.62 0.00 0.00 178.44 178.21 3k5n h SER 489 N -0.03 -0.24 -0.78 1.25 0.02 -1.01 0.48 113.55 113.23 3k5n h SER 489 Ca 0.04 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.10 3k5n h SER 489 Cb 0.31 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 3k5n h SER 489 CO 0.00 -0.14 0.36 -0.61 -1.14 0.00 0.00 176.83 175.30 3k5n h GLN 490 N -0.33 0.51 -0.75 3.45 4.15 -1.17 0.45 115.11 121.41 3k5n h GLN 490 Ca -0.03 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.39 3k5n h GLN 490 Cb 0.26 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 3k5n h GLN 490 CO 0.05 0.34 0.47 0.00 -1.93 0.00 0.00 178.83 177.76 3k5n h ALA 491 N 1.54 0.98 -0.50 3.38 0.00 -0.84 -2.41 119.26 121.41 3k5n h ALA 491 Ca 0.42 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 3k5n h ALA 491 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3k5n h ALA 491 CO -0.37 0.26 -0.06 -0.07 0.00 0.00 0.00 179.25 179.00 3k5n h LEU 492 N 0.92 0.92 -0.42 0.00 3.38 0.43 -3.16 115.31 117.38 3k5n h LEU 492 Ca 0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k5n h LEU 492 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3k5n h LEU 492 CO -0.11 1.04 0.27 0.11 0.09 0.00 0.00 178.44 179.83 3k5n h LYS 493 N 0.78 0.55 -0.41 1.13 1.57 -0.56 -3.16 116.57 116.47 3k5n h LYS 493 Ca 0.13 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3k5n h LYS 493 Cb 0.61 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 3k5n h LYS 493 CO 0.04 0.38 -0.08 0.82 -0.57 0.00 0.00 179.45 180.04 3k5n h ILE 494 N 0.56 0.61 0.91 1.86 2.04 -1.40 -0.47 117.51 121.61 3k5n h ILE 494 Ca 0.15 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 3k5n h ILE 494 Cb -0.05 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3k5n h ILE 494 CO -0.03 0.00 -0.47 0.16 0.00 0.00 0.00 178.15 177.82 3k5n h ILE 495 N 0.02 0.00 -1.03 -0.67 3.07 -1.57 0.31 117.51 117.64 3k5n h ILE 495 Ca 0.20 0.00 0.27 0.00 1.55 0.00 0.00 64.86 66.88 3k5n h ILE 495 Cb 0.30 0.00 -0.08 0.00 -0.27 0.00 0.00 36.82 36.77 3k5n h ILE 495 CO -0.40 0.00 0.68 0.00 -1.05 0.00 0.00 178.15 177.38 3k5n h MET 496 N -1.26 0.33 0.00 0.16 -0.00 -1.56 3.90 114.93 116.50 3k5n h MET 496 Ca -0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 3k5n h MET 496 Cb 0.97 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 3k5n h MET 496 CO 0.19 0.22 0.00 0.09 -0.00 0.00 0.00 176.91 177.40 3k5n n ASN 497 N -4.55 0.65 -0.47 -0.10 4.13 -0.20 -2.53 115.26 112.19 3k5n n ASN 497 Ca 0.24 0.61 0.13 0.00 1.68 0.00 0.00 54.58 57.24 3k5n n ASN 497 Cb 0.90 -0.77 0.34 0.00 -1.54 0.00 0.00 39.78 38.71 3k5n n ASN 497 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k5n n ALA 498 N -1.75 2.86 -0.05 5.41 0.00 1.28 -4.25 120.51 124.02 3k5n n ALA 498 Ca 0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 3k5n n ALA 498 Cb 0.32 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 3k5n n ALA 498 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3k5n h PHE 499 N 2.32 0.88 -0.42 0.00 0.04 -1.04 -2.91 116.94 115.81 3k5n h PHE 499 Ca 0.00 -0.34 -0.03 0.00 2.80 0.00 0.00 57.97 60.40 3k5n h PHE 499 Cb 0.61 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3k5n h PHE 499 CO 0.00 1.13 0.15 -0.92 -0.60 0.00 0.00 178.31 178.07 3k5n h TYR 500 N 0.37 0.60 -0.35 -0.55 3.20 -1.75 -2.45 116.97 116.04 3k5n h TYR 500 Ca -0.01 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.85 3k5n h TYR 500 Cb 1.13 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3k5n h TYR 500 CO 0.09 0.48 0.20 0.78 -1.64 0.00 0.00 178.16 178.07 3k5n h GLY 501 N 0.76 0.48 0.81 1.82 0.00 -1.75 -2.55 103.07 102.64 3k5n h GLY 501 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3k5n h GLY 501 CO -0.01 0.13 -0.25 -0.39 0.00 0.00 0.00 176.54 176.02 3k5n h VAL 502 N 0.41 0.48 -0.34 4.60 -1.51 -1.30 -2.70 116.25 115.90 3k5n h VAL 502 Ca 0.14 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.71 3k5n h VAL 502 Cb 0.00 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 3k5n h VAL 502 CO -0.06 0.00 0.35 -0.07 -1.23 0.00 0.00 177.57 176.55 3k5n h LEU 503 N -0.58 0.00 -0.65 4.19 3.38 -1.26 -1.53 115.31 118.86 3k5n h LEU 503 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k5n h LEU 503 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3k5n h LEU 503 CO -0.00 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.84 3k5n n GLY 504 N -1.48 -0.41 3.90 0.83 0.00 -0.98 -4.19 105.19 102.86 3k5n n GLY 504 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3k5n n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k5n s THR 505 N -2.47 5.34 -2.07 2.61 -1.32 -0.58 -4.98 115.64 112.18 3k5n s THR 505 Ca 0.24 -0.30 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 3k5n s THR 505 Cb 0.19 -3.55 0.57 0.00 -1.51 0.00 0.00 72.50 68.20 3k5n s THR 505 CO 0.52 0.23 1.76 0.35 -2.21 0.00 0.00 174.62 175.27 3k5n n THR 506 N 0.63 0.04 0.58 5.08 -2.24 -1.26 -2.66 114.28 114.45 3k5n n THR 506 Ca -0.08 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3k5n n THR 506 Cb 0.52 -0.17 0.25 0.00 -2.10 0.00 0.00 70.33 68.82 3k5n n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5n n ALA 507 N -0.59 2.44 -3.71 6.98 0.00 -1.26 -4.59 120.51 119.78 3k5n n ALA 507 Ca 0.16 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 3k5n n ALA 507 Cb 0.13 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 3k5n n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5n n ARG 509 N 4.50 0.00 0.00 0.00 1.85 -1.26 -0.38 116.66 121.37 3k5n n ARG 509 Ca -0.19 0.43 0.12 0.00 -1.00 0.00 0.00 57.85 57.21 3k5n n ARG 509 Cb 0.51 -1.50 0.19 0.00 -1.05 0.00 0.00 32.46 30.61 3k5n n ARG 509 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3k5n n PHE 510 N -1.43 0.00 -1.66 2.89 3.72 -1.26 -4.47 117.46 115.25 3k5n n PHE 510 Ca 0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 3k5n n PHE 510 Cb 0.00 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 3k5n n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k5n n PHE 511 N -0.21 2.11 -3.77 1.38 7.35 0.49 -4.96 117.46 119.84 3k5n n PHE 511 Ca 0.11 0.32 -0.13 0.00 -0.76 0.00 0.00 57.45 57.00 3k5n n PHE 511 Cb 0.42 -2.51 -0.12 0.00 0.35 0.00 0.00 39.48 37.61 3k5n n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3k5n s ASP 512 N 1.50 -0.25 0.35 -2.13 2.15 -1.26 -4.59 116.67 112.43 3k5n s ASP 512 Ca 0.83 0.49 0.03 0.00 0.43 0.00 0.00 52.55 54.33 3k5n s ASP 512 Cb -0.76 0.46 0.64 0.00 -0.30 0.00 0.00 42.92 42.96 3k5n s ASP 512 CO 0.44 -0.11 1.99 -0.65 -0.17 0.00 0.00 175.17 176.67 3k5n h PRO 513 N 6.23 0.78 0.00 4.34 0.11 -1.89 -1.37 132.00 140.20 3k5n h PRO 513 Ca -0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k5n h PRO 513 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k5n h PRO 513 CO 0.36 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3k5n h ARG 514 N 0.79 0.00 0.71 1.05 3.08 -1.95 -2.26 114.38 115.80 3k5n h ARG 514 Ca 0.21 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3k5n h ARG 514 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.02 3k5n h ARG 514 CO -0.04 0.00 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.45 3k5n h LEU 515 N 0.00 -0.81 -0.39 3.04 4.07 -1.59 -2.22 115.31 117.41 3k5n h LEU 515 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 3k5n h LEU 515 Cb 0.31 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3k5n h LEU 515 CO 0.00 -0.50 -0.33 0.00 -1.08 0.00 0.00 178.44 176.53 3k5n h ALA 516 N -0.91 0.57 -0.41 1.53 0.00 -1.60 -3.17 119.26 115.28 3k5n h ALA 516 Ca -0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3k5n h ALA 516 Cb 0.76 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3k5n h ALA 516 CO 0.16 0.63 -0.14 0.77 0.00 0.00 0.00 179.25 180.68 3k5n h SER 517 N 0.74 0.74 0.22 0.00 0.02 -1.49 1.23 113.55 115.00 3k5n h SER 517 Ca 0.07 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3k5n h SER 517 Cb 0.92 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3k5n h SER 517 CO 0.09 0.89 -0.04 0.28 -1.14 0.00 0.00 176.83 176.91 3k5n h SER 518 N 0.67 0.00 0.00 3.07 0.02 -1.40 0.68 113.55 116.59 3k5n h SER 518 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3k5n h SER 518 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3k5n h SER 518 CO 0.04 0.04 -0.38 0.40 -1.14 0.00 0.00 176.83 175.78 3k5n h ILE 519 N 0.00 0.00 -0.61 3.27 2.04 -1.12 -3.27 117.51 117.83 3k5n h ILE 519 Ca -0.00 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 65.19 3k5n h ILE 519 Cb 0.15 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.13 3k5n h ILE 519 CO 0.00 0.00 -0.04 0.74 0.00 0.00 0.00 178.15 178.85 3k5n h THR 520 N -0.80 0.46 0.00 -0.27 2.02 0.16 -1.47 112.91 113.01 3k5n h THR 520 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3k5n h THR 520 Cb 0.38 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3k5n h THR 520 CO 0.00 0.01 -0.07 0.24 0.37 0.00 0.00 175.52 176.08 3k5n h MET 521 N 0.08 0.00 0.00 6.66 2.86 0.20 -1.48 114.93 123.26 3k5n h MET 521 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3k5n h MET 521 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3k5n h MET 521 CO -0.55 0.07 -0.97 -2.13 1.06 0.00 0.00 176.91 174.38 3k5n n ARG 522 N -3.33 0.55 -0.30 1.72 0.63 -0.64 -3.09 116.66 112.20 3k5n n ARG 522 Ca -0.01 0.11 0.01 0.00 -0.92 0.00 0.00 57.85 57.04 3k5n n ARG 522 Cb 0.24 -1.79 0.15 0.00 0.45 0.00 0.00 32.46 31.50 3k5n n ARG 522 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3k5n h GLY 523 N 4.10 1.26 1.00 5.14 0.00 -0.39 0.93 103.07 115.11 3k5n h GLY 523 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3k5n h GLY 523 CO 0.00 0.21 0.37 0.45 0.00 0.00 0.00 176.54 177.57 3k5n h HIS 524 N 0.88 0.71 -0.44 5.60 3.86 -1.49 -1.39 115.15 122.88 3k5n h HIS 524 Ca 0.38 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.55 3k5n h HIS 524 Cb 0.24 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3k5n h HIS 524 CO -0.05 0.44 0.08 0.37 0.86 0.00 0.00 177.93 179.64 3k5n h GLN 525 N 0.76 0.71 -0.21 2.45 4.15 -1.09 0.14 115.11 122.01 3k5n h GLN 525 Ca 0.21 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3k5n h GLN 525 Cb -0.09 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 3k5n h GLN 525 CO -0.05 0.73 0.09 0.82 -1.93 0.00 0.00 178.83 178.50 3k5n h ILE 526 N 0.58 1.15 -0.66 2.39 5.03 -0.64 0.23 117.51 125.59 3k5n h ILE 526 Ca 0.13 -0.44 -0.01 0.00 -0.12 0.00 0.00 64.86 64.43 3k5n h ILE 526 Cb 0.36 1.05 -0.03 0.00 -3.03 0.00 0.00 36.82 35.17 3k5n h ILE 526 CO 0.01 0.15 0.38 0.24 -0.68 0.00 0.00 178.15 178.25 3k5n h MET 527 N 0.20 0.91 -0.38 2.37 2.86 -1.12 0.55 114.93 120.31 3k5n h MET 527 Ca 0.07 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 3k5n h MET 527 Cb 0.14 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3k5n h MET 527 CO -0.01 0.66 -0.31 -0.09 1.06 0.00 0.00 176.91 178.22 3k5n h ARG 528 N 0.90 0.85 -0.15 1.72 2.43 -0.53 -2.95 114.38 116.65 3k5n h ARG 528 Ca 0.23 -0.40 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 3k5n h ARG 528 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3k5n h ARG 528 CO -0.04 1.04 -0.25 0.37 -1.51 0.00 0.00 179.97 179.57 3k5n h GLN 529 N 0.71 0.44 -0.60 0.20 5.75 -0.17 -3.20 115.11 118.24 3k5n h GLN 529 Ca 0.08 -0.27 0.12 0.00 -0.15 0.00 0.00 58.65 58.43 3k5n h GLN 529 Cb 0.87 0.03 -0.11 0.00 1.07 0.00 0.00 27.48 29.33 3k5n h GLN 529 CO 0.08 0.87 -0.14 1.15 -2.65 0.00 0.00 178.83 178.13 3k5n h THR 530 N 0.07 0.40 0.00 2.39 2.02 0.18 0.47 112.91 118.44 3k5n h THR 530 Ca 0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3k5n h THR 530 Cb 0.83 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3k5n h THR 530 CO 0.06 0.00 -0.01 0.07 0.37 0.00 0.00 175.52 176.01 3k5n h LYS 531 N 0.01 0.00 -0.27 6.66 2.10 -1.60 -1.40 116.57 122.08 3k5n h LYS 531 Ca 0.29 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.87 3k5n h LYS 531 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3k5n h LYS 531 CO -0.61 0.01 -0.14 0.00 -2.00 0.00 0.00 179.45 176.71 3k5n h ALA 532 N 1.99 0.38 -0.70 0.07 0.00 -0.16 0.11 119.26 120.94 3k5n h ALA 532 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3k5n h ALA 532 Cb 0.56 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3k5n h ALA 532 CO 0.00 0.25 0.46 -0.07 0.00 0.00 0.00 179.25 179.90 3k5n h LEU 533 N 0.30 0.79 0.16 0.00 4.07 -0.08 -2.02 115.31 118.53 3k5n h LEU 533 Ca 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3k5n h LEU 533 Cb 0.65 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3k5n h LEU 533 CO 0.04 0.57 -0.08 0.40 -1.08 0.00 0.00 178.44 178.29 3k5n h ILE 534 N 0.94 0.97 0.00 1.22 2.04 -1.17 -3.13 117.51 118.38 3k5n h ILE 534 Ca 0.26 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3k5n h ILE 534 Cb -0.09 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3k5n h ILE 534 CO -0.06 0.18 -0.03 -0.33 0.00 0.00 0.00 178.15 177.91 3k5n h GLU 535 N -0.62 0.00 -0.00 2.37 5.08 -0.74 1.13 114.58 121.80 3k5n h GLU 535 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3k5n h GLU 535 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3k5n h GLU 535 CO 0.04 0.03 -0.02 0.00 -1.00 0.00 0.00 179.01 178.05 3k5n n ALA 536 N -2.30 2.57 -0.43 3.43 0.00 -0.77 -2.15 120.51 120.86 3k5n n ALA 536 Ca -0.03 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.34 3k5n n ALA 536 Cb 0.12 -1.46 0.31 0.00 0.00 0.00 0.00 19.45 18.42 3k5n n ALA 536 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3k5n n GLN 537 N -1.18 3.02 0.00 0.00 -0.06 0.39 -4.94 117.38 114.60 3k5n n GLN 537 Ca 0.15 -2.67 0.00 0.00 -2.00 0.00 0.00 57.00 52.49 3k5n n GLN 537 Cb 0.23 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 3k5n n GLN 537 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k5n n GLY 538 N 1.36 1.08 4.01 1.69 0.00 -0.91 -5.06 105.19 107.36 3k5n n GLY 538 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3k5n n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5n s TYR 539 N -2.27 1.82 -0.11 1.61 2.02 -1.23 -4.98 117.35 114.21 3k5n s TYR 539 Ca 0.00 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3k5n s TYR 539 Cb 0.00 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 3k5n s TYR 539 CO 0.00 -1.23 -0.20 -0.51 -1.57 0.00 0.00 175.55 172.04 3k5n s ASP 540 N -4.62 3.45 -0.44 2.29 1.11 -0.61 -4.21 116.67 113.62 3k5n s ASP 540 Ca 0.62 -0.47 -0.14 0.00 0.18 0.00 0.00 52.55 52.74 3k5n s ASP 540 Cb -0.07 -1.46 0.06 0.00 1.07 0.00 0.00 42.92 42.52 3k5n s ASP 540 CO 0.40 0.17 0.34 -0.69 1.18 0.00 0.00 175.17 176.57 3k5n s VAL 541 N 0.31 5.06 -1.54 -1.27 1.01 -1.26 0.22 120.40 122.93 3k5n s VAL 541 Ca -0.15 -1.00 0.25 0.00 0.00 0.00 0.00 61.98 61.08 3k5n s VAL 541 Cb -0.17 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.35 3k5n s VAL 541 CO 0.07 -0.48 1.38 2.30 0.00 0.00 0.00 175.10 178.38 3k5n n ILE 542 N 5.14 0.00 -3.64 2.22 -5.35 -0.90 -4.90 119.36 111.94 3k5n n ILE 542 Ca -0.12 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 3k5n n ILE 542 Cb 0.44 0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 38.83 3k5n n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3k5n s TYR 543 N -2.67 -0.72 -0.01 4.28 5.04 -1.25 -1.09 117.35 120.92 3k5n s TYR 543 Ca 0.18 1.73 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 3k5n s TYR 543 Cb 0.18 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.76 3k5n s TYR 543 CO 0.61 -0.37 -0.02 0.20 -1.34 0.00 0.00 175.55 174.63 3k5n s GLY 544 N 0.23 0.15 0.00 8.97 0.00 -1.26 -2.09 107.32 113.33 3k5n s GLY 544 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3k5n s GLY 544 CO 0.02 0.11 0.00 1.34 0.00 0.00 0.00 173.10 174.56 3k5n n ASP 545 N 3.34 1.93 0.04 1.64 2.03 -0.33 -4.37 116.55 120.83 3k5n n ASP 545 Ca -0.17 -0.46 -0.04 0.00 0.52 0.00 0.00 54.79 54.64 3k5n n ASP 545 Cb 0.57 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.13 3k5n n ASP 545 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3k5n h THR 546 N 0.44 1.30 0.00 5.18 2.02 -1.99 -3.37 112.91 116.49 3k5n h THR 546 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3k5n h THR 546 Cb 0.00 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3k5n h THR 546 CO 0.00 0.47 -0.20 -0.90 0.37 0.00 0.00 175.52 175.26 3k5n n ASP 547 N -4.04 0.00 -4.26 4.18 5.75 -1.26 -4.90 116.55 112.02 3k5n n ASP 547 Ca -0.01 -1.40 -0.14 0.00 -0.01 0.00 0.00 54.79 53.22 3k5n n ASP 547 Cb 0.49 -0.08 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 3k5n n ASP 547 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k5n s SER 548 N -0.40 1.76 0.08 -1.12 1.04 -1.26 -1.57 113.70 112.23 3k5n s SER 548 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 3k5n s SER 548 Cb 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 3k5n s SER 548 CO 0.00 -0.37 0.03 -0.89 0.98 0.00 0.00 173.24 172.99 3k5n s THR 549 N -3.36 0.18 -0.04 2.02 2.01 -0.12 -1.19 115.64 115.14 3k5n s THR 549 Ca 0.19 -1.74 0.01 0.00 0.31 0.00 0.00 61.69 60.46 3k5n s THR 549 Cb 0.03 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.94 3k5n s THR 549 CO 0.02 -0.82 -0.05 -0.36 -0.69 0.00 0.00 174.62 172.72 3k5n s PHE 550 N -3.94 0.75 -0.07 4.92 2.99 -0.89 -1.80 117.98 119.94 3k5n s PHE 550 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 56.93 56.88 3k5n s PHE 550 Cb 0.07 -0.65 -0.00 0.00 0.00 0.00 0.00 43.02 42.44 3k5n s PHE 550 CO -0.07 -0.18 -0.23 0.08 -0.00 0.00 0.00 175.22 174.82 3k5n s VAL 551 N 0.82 1.94 -0.27 -0.44 1.01 -0.00 -2.11 120.40 121.36 3k5n s VAL 551 Ca -0.11 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3k5n s VAL 551 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3k5n s VAL 551 CO 0.00 0.54 0.52 0.86 0.00 0.00 0.00 175.10 177.02 3k5n s TRP 552 N 0.10 3.26 -1.86 5.22 -0.00 0.60 -0.86 118.94 125.40 3k5n s TRP 552 Ca -0.10 0.61 0.30 0.00 -0.00 0.00 0.00 56.10 56.90 3k5n s TRP 552 Cb -0.15 -2.74 1.50 0.00 -0.00 0.00 0.00 33.47 32.08 3k5n s TRP 552 CO 0.06 -0.30 2.01 1.28 -0.00 0.00 0.00 176.95 179.99 3k5n n LEU 553 N 5.56 0.37 -0.31 5.86 4.32 -0.89 -1.58 117.00 130.33 3k5n n LEU 553 Ca -0.04 -0.02 -0.04 0.00 -0.02 0.00 0.00 56.01 55.89 3k5n n LEU 553 Cb 0.50 -0.11 -0.02 0.00 -1.62 0.00 0.00 43.42 42.17 3k5n n LEU 553 CO 0.41 0.06 -0.04 0.29 -1.22 0.00 0.00 177.39 176.89 3k5n n LYS 554 N -0.86 -0.64 0.00 3.23 5.02 -1.26 -4.93 118.16 118.71 3k5n n LYS 554 Ca 0.19 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3k5n n LYS 554 Cb 0.22 -4.20 0.00 0.00 -0.02 0.00 0.00 35.03 31.03 3k5n n LYS 554 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k5n n GLY 555 N -1.77 0.96 3.77 0.72 0.00 -1.25 -5.08 105.19 102.53 3k5n n GLY 555 Ca -0.04 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3k5n n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5n s ALA 556 N -2.00 3.51 -0.00 4.61 0.00 -1.26 -4.18 121.76 122.43 3k5n s ALA 556 Ca 0.00 1.26 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3k5n s ALA 556 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3k5n s ALA 556 CO 0.00 -0.65 -0.12 -1.01 0.00 0.00 0.00 175.76 173.98 3k5n s HIS 557 N -0.96 1.10 1.12 0.00 3.76 -1.26 -5.01 115.29 114.04 3k5n s HIS 557 Ca 0.50 -0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 55.05 3k5n s HIS 557 Cb -0.40 -0.70 0.21 0.00 1.11 0.00 0.00 32.58 32.80 3k5n s HIS 557 CO 0.51 -0.01 0.75 -1.13 -0.85 0.00 0.00 174.74 174.01 3k5n n SER 558 N 2.67 -1.65 0.06 1.40 3.41 -1.26 -4.76 113.62 113.50 3k5n n SER 558 Ca -0.14 -0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 3k5n n SER 558 Cb 0.56 -1.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 3k5n n SER 558 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k5n h GLU 559 N -2.37 0.43 -0.46 4.33 4.39 -1.99 -2.28 114.58 116.62 3k5n h GLU 559 Ca -0.56 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 58.58 3k5n h GLU 559 Cb 1.33 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 3k5n h GLU 559 CO 0.44 1.10 -0.18 0.93 -1.16 0.00 0.00 179.01 180.15 3k5n h GLU 560 N 0.25 0.91 -0.33 2.33 4.39 -2.00 -2.43 114.58 117.69 3k5n h GLU 560 Ca -0.07 -0.36 -0.14 0.00 0.34 0.00 0.00 59.36 59.13 3k5n h GLU 560 Cb 1.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 3k5n h GLU 560 CO 0.16 1.01 -0.35 1.49 -1.16 0.00 0.00 179.01 180.16 3k5n h GLU 561 N 0.80 0.75 -0.82 2.33 4.57 -1.91 -2.74 114.58 117.56 3k5n h GLU 561 Ca 0.11 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 3k5n h GLU 561 Cb 0.72 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 3k5n h GLU 561 CO 0.06 0.99 0.55 0.00 -1.18 0.00 0.00 179.01 179.42 3k5n h ALA 562 N 0.98 1.05 -0.18 2.92 0.00 -1.23 -1.78 119.26 121.02 3k5n h ALA 562 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3k5n h ALA 562 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3k5n h ALA 562 CO 0.08 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.78 3k5n h ALA 563 N 1.30 0.24 -0.20 0.00 0.00 -1.28 0.53 119.26 119.85 3k5n h ALA 563 Ca 0.30 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3k5n h ALA 563 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3k5n h ALA 563 CO -0.07 -0.06 0.04 0.87 0.00 0.00 0.00 179.25 180.03 3k5n h LYS 564 N 0.07 0.11 -0.13 0.00 1.57 -1.25 0.37 116.57 117.32 3k5n h LYS 564 Ca 0.05 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3k5n h LYS 564 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3k5n h LYS 564 CO 0.01 0.07 -0.14 0.82 -0.57 0.00 0.00 179.45 179.65 3k5n h ILE 565 N 0.12 0.63 -0.68 1.86 2.04 -1.22 0.13 117.51 120.39 3k5n h ILE 565 Ca 0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.07 3k5n h ILE 565 Cb 0.09 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 36.71 3k5n h ILE 565 CO -0.12 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.50 3k5n h GLY 566 N -0.17 0.99 1.86 5.37 0.00 0.51 0.31 103.07 111.94 3k5n h GLY 566 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3k5n h GLY 566 CO -0.23 -0.07 -0.52 3.21 0.00 0.00 0.00 176.54 178.93 3k5n h ARG 567 N 0.40 0.15 -0.31 4.80 3.08 0.67 -2.75 114.38 120.42 3k5n h ARG 567 Ca 0.36 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3k5n h ARG 567 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3k5n h ARG 567 CO -0.37 0.64 -0.07 0.00 -1.07 0.00 0.00 179.97 179.09 3k5n h ALA 568 N 1.35 0.42 -0.13 0.04 0.00 0.24 -3.05 119.26 118.12 3k5n h ALA 568 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3k5n h ALA 568 Cb 0.96 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3k5n h ALA 568 CO 0.08 0.24 -0.28 -0.07 0.00 0.00 0.00 179.25 179.22 3k5n h LEU 569 N 0.36 -0.86 -0.79 0.00 4.07 -0.76 0.13 115.31 117.46 3k5n h LEU 569 Ca 0.08 0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.22 3k5n h LEU 569 Cb 0.55 0.37 -0.05 0.00 1.08 0.00 0.00 40.66 42.61 3k5n h LEU 569 CO 0.03 -0.32 0.49 -0.37 -1.08 0.00 0.00 178.44 177.18 3k5n h VAL 570 N -0.35 1.06 -0.01 1.22 -1.51 -1.39 0.26 116.25 115.53 3k5n h VAL 570 Ca 0.10 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3k5n h VAL 570 Cb 0.50 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 3k5n h VAL 570 CO -0.33 0.17 -0.34 0.00 -1.23 0.00 0.00 177.57 175.83 3k5n n GLN 571 N -4.65 0.95 0.28 5.19 -0.00 -1.12 -0.43 117.38 117.61 3k5n n GLN 571 Ca 0.10 -0.66 -0.16 0.00 -0.00 0.00 0.00 57.00 56.28 3k5n n GLN 571 Cb 0.14 -1.49 -0.08 0.00 -0.00 0.00 0.00 30.24 28.81 3k5n n GLN 571 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3k5n h HIS 572 N 1.61 -0.70 -0.23 2.61 2.76 0.96 0.13 115.15 122.29 3k5n h HIS 572 Ca 0.00 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3k5n h HIS 572 Cb 0.59 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.76 3k5n h HIS 572 CO 0.00 -0.42 0.00 0.28 -1.30 0.00 0.00 177.93 176.49 3k5n h VAL 573 N -0.69 0.84 -0.28 5.26 2.07 -0.49 -2.77 116.25 120.18 3k5n h VAL 573 Ca -0.06 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3k5n h VAL 573 Cb 0.56 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3k5n h VAL 573 CO 0.07 0.01 0.03 0.78 0.02 0.00 0.00 177.57 178.48 3k5n h ASN 574 N 0.07 0.37 -0.55 0.57 2.35 -0.50 -2.57 115.58 115.32 3k5n h ASN 574 Ca 0.11 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3k5n h ASN 574 Cb 0.13 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3k5n h ASN 574 CO -0.18 0.42 -0.06 0.00 -1.65 0.00 0.00 177.43 175.96 3k5n h ALA 575 N 1.63 0.74 -0.19 -0.83 0.00 -0.47 -2.59 119.26 117.56 3k5n h ALA 575 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k5n h ALA 575 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k5n h ALA 575 CO 0.00 0.62 0.12 2.35 0.00 0.00 0.00 179.25 182.35 3k5n h TRP 576 N 0.89 0.25 0.08 0.00 7.01 -1.25 0.44 115.95 123.36 3k5n h TRP 576 Ca 0.15 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.17 3k5n h TRP 576 Cb 0.62 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.56 3k5n h TRP 576 CO 0.04 0.18 -0.30 -1.49 -2.79 0.00 0.00 178.44 174.09 3k5n h TRP 577 N 0.24 -0.80 -0.48 2.65 -0.00 -1.35 1.27 115.95 117.48 3k5n h TRP 577 Ca 0.07 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.05 3k5n h TRP 577 Cb -0.00 0.34 -0.06 0.00 -0.00 0.00 0.00 29.16 29.45 3k5n h TRP 577 CO -0.06 -0.40 0.16 0.00 -0.00 0.00 0.00 178.44 178.14 3k5n h ALA 578 N 0.22 0.57 -0.36 1.49 0.00 -1.02 0.33 119.26 120.49 3k5n h ALA 578 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3k5n h ALA 578 Cb 0.54 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3k5n h ALA 578 CO -0.20 -0.24 0.06 1.49 0.00 0.00 0.00 179.25 180.36 3k5n h GLU 579 N 0.32 0.60 -0.20 0.00 4.81 0.52 -1.65 114.58 118.98 3k5n h GLU 579 Ca 0.23 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3k5n h GLU 579 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3k5n h GLU 579 CO -0.25 0.67 -0.41 1.15 -0.73 0.00 0.00 179.01 179.44 3k5n h THR 580 N 0.44 1.31 -0.53 0.32 2.02 0.24 -3.02 112.91 113.69 3k5n h THR 580 Ca 0.11 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3k5n h THR 580 Cb 0.36 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3k5n h THR 580 CO 0.01 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.38 3k5n n LEU 581 N -4.02 3.95 0.13 2.58 -0.00 0.04 -3.40 117.00 116.28 3k5n n LEU 581 Ca -0.02 -2.29 0.01 0.00 -0.00 0.00 0.00 56.01 53.71 3k5n n LEU 581 Cb 0.51 -0.45 0.02 0.00 -0.00 0.00 0.00 43.42 43.50 3k5n n LEU 581 CO 0.44 0.81 0.43 -0.61 -0.00 0.00 0.00 177.39 178.46 3k5n h GLN 582 N 3.24 0.00 -0.45 1.47 4.15 -1.16 -1.92 115.11 120.44 3k5n h GLN 582 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 3k5n h GLN 582 Cb 1.15 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 3k5n h GLN 582 CO 0.11 0.57 0.23 0.87 -1.93 0.00 0.00 178.83 178.69 3k5n h LYS 583 N 0.00 0.44 -7.45 1.69 6.56 -1.59 -3.37 116.57 112.86 3k5n h LYS 583 Ca -0.01 -0.03 -0.47 0.00 -1.06 0.00 0.00 60.65 59.08 3k5n h LYS 583 Cb 1.42 -0.10 0.08 0.00 -0.57 0.00 0.00 32.23 33.06 3k5n h LYS 583 CO 0.07 0.29 0.34 -0.65 -2.06 0.00 0.00 179.45 177.45 3k5n s GLN 584 N -6.14 2.39 -1.19 3.15 -0.21 -1.17 -4.89 119.66 111.61 3k5n s GLN 584 Ca -0.13 0.12 -0.04 0.00 0.02 0.00 0.00 55.36 55.33 3k5n s GLN 584 Cb 0.13 -2.06 0.18 0.00 1.00 0.00 0.00 33.01 32.26 3k5n s GLN 584 CO 0.73 -1.25 2.25 0.54 -2.12 0.00 0.00 175.29 175.44 3k5n n ARG 585 N -3.05 4.69 -4.91 2.91 1.74 -1.26 -4.81 116.66 111.97 3k5n n ARG 585 Ca 0.07 -3.74 -0.33 0.00 -0.77 0.00 0.00 57.85 53.09 3k5n n ARG 585 Cb 0.59 -2.56 -0.13 0.00 -1.02 0.00 0.00 32.46 29.34 3k5n n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k5n s LEU 586 N -2.78 2.68 -0.33 0.55 1.43 -0.73 -5.05 118.68 114.45 3k5n s LEU 586 Ca 0.50 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 3k5n s LEU 586 Cb 0.20 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3k5n s LEU 586 CO -0.12 0.33 0.16 -0.89 0.23 0.00 0.00 176.35 176.06 3k5n s THR 587 N -0.63 4.49 0.24 5.49 2.01 -1.26 -3.57 115.64 122.41 3k5n s THR 587 Ca 0.09 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 3k5n s THR 587 Cb -0.11 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 3k5n s THR 587 CO 0.01 -0.06 1.20 -0.55 -0.69 0.00 0.00 174.62 174.53 3k5n s SER 588 N 1.57 7.06 0.00 3.53 0.15 -1.26 -4.56 113.70 120.19 3k5n s SER 588 Ca 0.03 2.34 0.02 0.00 0.70 0.00 0.00 55.95 59.04 3k5n s SER 588 Cb -0.18 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.56 3k5n s SER 588 CO 0.06 -0.36 1.00 0.00 1.20 0.00 0.00 173.24 175.15 3k5n n ALA 589 N 1.90 2.07 -2.14 5.45 0.00 -1.26 -4.93 120.51 121.60 3k5n n ALA 589 Ca 0.02 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 3k5n n ALA 589 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3k5n n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5n s LEU 590 N -0.93 4.32 -0.32 0.00 1.02 -1.26 -4.83 118.68 116.67 3k5n s LEU 590 Ca 0.04 2.18 -0.01 0.00 0.02 0.00 0.00 54.13 56.37 3k5n s LEU 590 Cb 0.02 -3.56 0.10 0.00 0.02 0.00 0.00 46.19 42.78 3k5n s LEU 590 CO 0.03 -0.79 0.11 -0.70 0.02 0.00 0.00 176.35 175.02 3k5n s GLU 591 N 2.79 0.75 0.44 1.70 2.12 -1.26 -4.87 118.70 120.38 3k5n s GLU 591 Ca 0.67 -1.16 -0.22 0.00 0.36 0.00 0.00 54.97 54.62 3k5n s GLU 591 Cb -0.33 -1.99 -0.09 0.00 0.26 0.00 0.00 34.13 31.98 3k5n s GLU 591 CO 0.27 -1.01 1.03 -1.17 -0.54 0.00 0.00 175.26 173.85 3k5n s LEU 592 N 1.49 3.98 0.11 2.70 2.96 -1.26 -1.41 118.68 127.24 3k5n s LEU 592 Ca 0.11 1.95 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 3k5n s LEU 592 Cb -0.18 -4.40 -0.04 0.00 0.50 0.00 0.00 46.19 42.08 3k5n s LEU 592 CO -0.22 -0.62 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.42 3k5n s GLU 593 N -2.91 1.02 -0.24 1.98 2.02 0.33 -4.88 118.70 116.03 3k5n s GLU 593 Ca 0.63 -1.18 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 3k5n s GLU 593 Cb -0.18 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3k5n s GLU 593 CO 0.22 0.21 0.05 -0.47 0.02 0.00 0.00 175.26 175.29 3k5n s TYR 594 N -1.78 3.07 -0.09 1.61 5.04 -1.26 -0.82 117.35 123.12 3k5n s TYR 594 Ca 0.07 -0.48 -0.09 0.00 -2.44 0.00 0.00 57.07 54.13 3k5n s TYR 594 Cb -0.07 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 3k5n s TYR 594 CO 0.03 -0.35 -0.20 0.39 -1.34 0.00 0.00 175.55 174.09 3k5n n GLU 595 N 4.77 0.30 -4.09 4.97 -0.58 -0.47 -5.01 120.64 120.53 3k5n n GLU 595 Ca -0.17 0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.61 3k5n n GLU 595 Cb 0.51 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 30.26 3k5n n GLU 595 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3k5n s THR 596 N -2.43 0.36 -0.06 2.62 2.01 -1.16 -4.98 115.64 112.00 3k5n s THR 596 Ca -0.18 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.18 3k5n s THR 596 Cb 0.04 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.28 3k5n s THR 596 CO 0.25 -0.83 -0.04 -2.28 -0.69 0.00 0.00 174.62 171.02 3k5n s HIS 597 N -3.24 0.85 -0.19 4.92 2.46 -1.26 -0.61 115.29 118.22 3k5n s HIS 597 Ca 0.03 -0.28 -0.05 0.00 0.47 0.00 0.00 55.06 55.24 3k5n s HIS 597 Cb 0.03 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.66 3k5n s HIS 597 CO -0.06 -0.27 -0.02 -0.06 -2.47 0.00 0.00 174.74 171.86 3k5n s PHE 598 N 1.30 3.02 0.22 3.88 0.08 0.19 -4.61 117.98 122.07 3k5n s PHE 598 Ca -0.05 -0.47 -0.09 0.00 0.12 0.00 0.00 56.93 56.45 3k5n s PHE 598 Cb -0.14 -2.05 0.19 0.00 -0.57 0.00 0.00 43.02 40.45 3k5n s PHE 598 CO -0.02 -0.22 1.88 0.00 -0.10 0.00 0.00 175.22 176.76 3k5n s ARG 600 N -6.03 1.06 0.01 0.00 0.52 -1.25 0.15 118.95 113.42 3k5n s ARG 600 Ca -0.13 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 3k5n s ARG 600 Cb 0.16 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.53 3k5n s ARG 600 CO 0.80 -0.12 -0.15 0.12 0.02 0.00 0.00 175.30 175.97 3k5n s PHE 601 N 1.16 1.30 -0.08 -0.53 5.36 -0.23 0.04 117.98 125.00 3k5n s PHE 601 Ca -0.07 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 3k5n s PHE 601 Cb -0.14 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.76 3k5n s PHE 601 CO -0.01 0.01 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.52 3k5n s LEU 602 N -0.70 1.20 -0.12 6.12 2.96 0.26 0.86 118.68 129.26 3k5n s LEU 602 Ca 0.04 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3k5n s LEU 602 Cb -0.07 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.98 3k5n s LEU 602 CO 0.00 -0.09 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.40 3k5n s MET 603 N 1.33 3.04 0.39 1.98 -2.45 -0.46 -0.77 119.30 122.38 3k5n s MET 603 Ca -0.03 -0.86 0.08 0.00 -1.25 0.00 0.00 55.69 53.62 3k5n s MET 603 Cb -0.14 -2.38 -0.01 0.00 1.25 0.00 0.00 34.83 33.55 3k5n s MET 603 CO -0.03 0.08 0.43 -1.25 1.05 0.00 0.00 175.02 175.29 3k5n s PRO 604 N 0.59 2.72 -0.66 4.11 0.04 -1.26 -0.47 135.00 140.07 3k5n s PRO 604 Ca -0.13 -1.35 -0.20 0.00 0.04 0.00 0.00 61.00 59.37 3k5n s PRO 604 Cb -0.17 -2.55 -0.16 0.00 0.04 0.00 0.00 34.50 31.66 3k5n s PRO 604 CO 0.03 -0.13 1.87 -2.37 0.04 0.00 0.00 177.00 176.44 3k5n n THR 605 N -1.61 1.60 0.00 1.26 5.66 -1.26 -4.76 114.28 115.17 3k5n n THR 605 Ca 0.03 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 3k5n n THR 605 Cb 0.60 -2.21 0.00 0.00 -1.55 0.00 0.00 70.33 67.17 3k5n n THR 605 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3k5n n LYS 615 N 6.61 0.00 -4.06 1.09 -0.00 -1.26 -5.12 118.16 115.41 3k5n n LYS 615 Ca 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.64 3k5n n LYS 615 Cb 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.25 3k5n n LYS 615 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3k5n s ARG 616 N 0.00 0.39 0.16 -1.58 1.70 -1.26 -4.63 118.95 113.73 3k5n s ARG 616 Ca 0.00 -0.42 -0.09 0.00 -0.47 0.00 0.00 55.73 54.74 3k5n s ARG 616 Cb 0.00 -0.25 0.04 0.00 -0.57 0.00 0.00 34.95 34.17 3k5n s ARG 616 CO 0.00 0.05 0.47 2.48 -1.08 0.00 0.00 175.30 177.23 3k5n n TYR 617 N 2.25 -1.42 -3.71 5.89 0.18 -0.47 -4.44 117.16 115.45 3k5n n TYR 617 Ca -0.18 -0.86 -0.14 0.00 1.88 0.00 0.00 57.90 58.61 3k5n n TYR 617 Cb 0.57 0.42 -0.09 0.00 -0.38 0.00 0.00 39.34 39.86 3k5n n TYR 617 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3k5n s ALA 618 N -1.56 -1.11 0.22 -3.48 0.00 0.05 -1.65 121.76 114.23 3k5n s ALA 618 Ca 0.10 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3k5n s ALA 618 Cb -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3k5n s ALA 618 CO 0.05 -0.24 0.35 0.20 0.00 0.00 0.00 175.76 176.11 3k5n s GLY 619 N -0.27 0.79 -0.22 0.00 0.00 -1.03 0.92 107.32 107.51 3k5n s GLY 619 Ca -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3k5n s GLY 619 CO 0.02 -0.88 -0.15 -2.27 0.00 0.00 0.00 173.10 169.82 3k5n s LEU 620 N -3.05 2.72 -0.22 0.66 2.96 0.11 -2.06 118.68 119.80 3k5n s LEU 620 Ca 0.26 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 3k5n s LEU 620 Cb 0.02 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3k5n s LEU 620 CO 0.08 -0.10 0.19 -0.63 -1.32 0.00 0.00 176.35 174.58 3k5n s ILE 621 N 1.22 5.35 -0.41 6.68 1.01 0.32 -1.24 121.20 134.13 3k5n s ILE 621 Ca -0.02 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 3k5n s ILE 621 Cb -0.16 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.81 3k5n s ILE 621 CO -0.09 0.36 0.28 -1.58 0.00 0.00 0.00 174.94 173.90 3k5n s GLN 622 N 0.89 2.89 -0.28 2.79 2.00 -1.26 0.17 119.66 126.86 3k5n s GLN 622 Ca 0.10 -1.11 -0.06 0.00 -2.00 0.00 0.00 55.36 52.29 3k5n s GLN 622 Cb -0.13 -3.90 0.01 0.00 0.80 0.00 0.00 33.01 29.79 3k5n s GLN 622 CO 0.03 -0.78 0.05 -1.21 -0.50 0.00 0.00 175.29 172.88 3k5n s GLU 623 N 1.62 3.05 6.61 1.67 2.02 0.24 -4.92 118.70 128.99 3k5n s GLU 623 Ca 0.04 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.15 3k5n s GLU 623 Cb -0.20 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.75 3k5n s GLU 623 CO 0.08 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3k5n n GLY 624 N 4.82 3.63 0.18 -1.39 0.00 -1.26 0.17 105.19 111.33 3k5n n GLY 624 Ca -0.15 0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3k5n n GLY 624 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k5n n ASP 625 N 8.55 0.68 -4.59 1.61 2.03 -1.26 -4.91 116.55 118.65 3k5n n ASP 625 Ca 0.00 -0.77 -0.23 0.00 0.52 0.00 0.00 54.79 54.31 3k5n n ASP 625 Cb 0.00 -0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 40.30 3k5n n ASP 625 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3k5n s LYS 626 N -2.40 2.11 0.03 -0.67 3.01 0.44 -5.13 119.74 117.13 3k5n s LYS 626 Ca 0.30 -1.52 0.05 0.00 -1.01 0.00 0.00 55.97 53.79 3k5n s LYS 626 Cb 0.20 -2.04 -0.02 0.00 -1.01 0.00 0.00 37.83 34.96 3k5n s LYS 626 CO 0.46 0.35 -0.15 -0.65 0.51 0.00 0.00 175.35 175.87 3k5n s GLN 627 N -3.62 1.07 -0.00 1.68 -0.21 -1.26 0.81 119.66 118.12 3k5n s GLN 627 Ca 0.31 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 3k5n s GLN 627 Cb -0.06 -1.09 -0.00 0.00 1.00 0.00 0.00 33.01 32.86 3k5n s GLN 627 CO 0.18 0.28 0.06 0.50 -2.12 0.00 0.00 175.29 174.20 3k5n s ARG 628 N -0.97 0.28 0.21 2.91 3.52 0.45 -4.88 118.95 120.47 3k5n s ARG 628 Ca 0.04 -0.27 0.09 0.00 -0.13 0.00 0.00 55.73 55.46 3k5n s ARG 628 Cb -0.08 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 3k5n s ARG 628 CO 0.01 -0.06 -0.08 -1.64 -0.81 0.00 0.00 175.30 172.73 3k5n s MET 629 N -0.86 2.09 -0.01 5.12 -1.94 -1.26 0.12 119.30 122.55 3k5n s MET 629 Ca -0.10 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 52.58 3k5n s MET 629 Cb -0.06 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 3k5n s MET 629 CO 0.00 0.41 -0.14 0.08 -0.01 0.00 0.00 175.02 175.36 3k5n s VAL 630 N -1.94 1.12 -0.04 -6.03 1.01 -0.87 -4.95 120.40 108.71 3k5n s VAL 630 Ca 0.27 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3k5n s VAL 630 Cb -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3k5n s VAL 630 CO 0.16 0.32 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 3k5n s PHE 631 N -0.26 1.88 -0.06 5.22 0.08 -1.26 -2.45 117.98 121.13 3k5n s PHE 631 Ca 0.04 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3k5n s PHE 631 Cb -0.06 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 3k5n s PHE 631 CO -0.00 -0.13 0.01 0.21 -0.10 0.00 0.00 175.22 175.20 3k5n s LYS 632 N -0.16 0.44 -1.42 0.44 2.36 -0.66 -4.78 119.74 115.96 3k5n s LYS 632 Ca -0.00 0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.56 3k5n s LYS 632 Cb -0.11 -0.81 0.00 0.00 -1.05 0.00 0.00 37.83 35.86 3k5n s LYS 632 CO 0.02 -0.27 0.00 0.41 1.55 0.00 0.00 175.35 177.05 3k5n n GLY 633 N 4.98 0.27 3.51 5.54 0.00 -1.26 -1.37 105.19 116.86 3k5n n GLY 633 Ca -0.10 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3k5n n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5n s LEU 634 N -4.19 2.67 0.56 0.99 1.02 -1.26 -4.82 118.68 113.66 3k5n s LEU 634 Ca 0.00 -1.06 0.29 0.00 0.02 0.00 0.00 54.13 53.38 3k5n s LEU 634 Cb 0.00 -1.11 1.47 0.00 0.02 0.00 0.00 46.19 46.57 3k5n s LEU 634 CO 0.00 -0.04 1.92 -0.33 0.02 0.00 0.00 176.35 177.92 3k5n h GLU 635 N 2.16 0.00 0.00 1.70 5.08 -1.94 1.52 114.58 123.11 3k5n h GLU 635 Ca -0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 3k5n h GLU 635 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3k5n h GLU 635 CO 0.63 0.00 -0.13 1.15 -1.00 0.00 0.00 179.01 179.66 3k5n h THR 636 N 0.00 0.62 0.05 1.13 2.02 -1.92 -2.98 112.91 111.84 3k5n h THR 636 Ca 0.27 -0.55 -0.21 0.00 0.77 0.00 0.00 66.41 66.70 3k5n h THR 636 Cb 1.27 1.35 0.02 0.00 -1.74 0.00 0.00 68.15 69.04 3k5n h THR 636 CO -0.00 0.12 -0.86 0.58 0.37 0.00 0.00 175.52 175.73 3k5n h VAL 637 N 0.00 1.38 -2.59 3.16 2.07 0.18 -3.47 116.25 116.99 3k5n h VAL 637 Ca -0.00 -2.28 -0.58 0.00 0.82 0.00 0.00 66.70 64.66 3k5n h VAL 637 Cb 0.34 2.70 0.08 0.00 -1.52 0.00 0.00 31.29 32.88 3k5n h VAL 637 CO 0.02 0.67 0.66 0.54 0.02 0.00 0.00 177.57 179.48 3k5n n ARG 638 N -4.04 2.07 0.04 1.57 5.12 -1.13 -4.88 116.66 115.40 3k5n n ARG 638 Ca -0.12 0.74 0.13 0.00 -1.93 0.00 0.00 57.85 56.67 3k5n n ARG 638 Cb 0.81 -2.42 0.42 0.00 -1.16 0.00 0.00 32.46 30.11 3k5n n ARG 638 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3k5n n THR 639 N 2.26 0.24 -1.27 0.55 -1.04 -1.26 -3.57 114.28 110.19 3k5n n THR 639 Ca 0.13 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3k5n n THR 639 Cb 0.31 -0.35 0.22 0.00 -1.82 0.00 0.00 70.33 68.69 3k5n n THR 639 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k5n n ASP 640 N -1.83 3.38 -4.51 8.00 5.68 -1.26 -4.61 116.55 121.40 3k5n n ASP 640 Ca 0.06 -3.55 -0.24 0.00 -0.50 0.00 0.00 54.79 50.56 3k5n n ASP 640 Cb 0.38 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 3k5n n ASP 640 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 3k5n s TRP 641 N -3.17 2.26 0.40 2.11 0.52 -1.23 -4.86 118.94 114.96 3k5n s TRP 641 Ca 0.49 -0.56 -0.23 0.00 0.02 0.00 0.00 56.10 55.83 3k5n s TRP 641 Cb 0.42 -1.29 -0.10 0.00 -1.15 0.00 0.00 33.47 31.35 3k5n s TRP 641 CO 0.06 0.49 0.96 0.99 0.02 0.00 0.00 176.95 179.47 3k5n s THR 642 N -2.74 4.27 -0.30 2.01 2.01 -1.26 -4.82 115.64 114.82 3k5n s THR 642 Ca 0.31 1.57 0.25 0.00 0.31 0.00 0.00 61.69 64.14 3k5n s THR 642 Cb 0.03 -3.73 0.27 0.00 0.01 0.00 0.00 72.50 69.08 3k5n s THR 642 CO 0.15 -0.16 1.76 -0.65 -0.69 0.00 0.00 174.62 175.04 3k5n h PRO 643 N 2.32 0.00 0.13 4.92 0.11 -1.81 -0.26 132.00 137.40 3k5n h PRO 643 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3k5n h PRO 643 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k5n h PRO 643 CO 0.62 0.00 -0.06 1.25 -0.21 0.00 0.00 178.00 179.60 3k5n h LEU 644 N 0.00 -0.15 -1.23 2.35 6.46 -1.85 -2.55 115.31 118.34 3k5n h LEU 644 Ca 0.00 -0.39 -0.08 0.00 -0.12 0.00 0.00 57.88 57.30 3k5n h LEU 644 Cb 0.29 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3k5n h LEU 644 CO 0.00 0.46 -0.32 0.00 -0.62 0.00 0.00 178.44 177.96 3k5n h ALA 645 N -0.36 1.36 -0.07 1.25 0.00 -1.76 0.15 119.26 119.82 3k5n h ALA 645 Ca -0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 3k5n h ALA 645 Cb 0.52 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3k5n h ALA 645 CO 0.03 0.46 -0.89 1.96 0.00 0.00 0.00 179.25 180.81 3k5n h GLN 646 N 0.10 0.65 -0.33 0.00 4.20 -1.14 -0.75 115.11 117.84 3k5n h GLN 646 Ca 0.01 -0.61 -0.11 0.00 0.06 0.00 0.00 58.65 58.01 3k5n h GLN 646 Cb 0.61 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3k5n h GLN 646 CO 0.04 1.22 -0.22 1.96 -0.67 0.00 0.00 178.83 181.16 3k5n h GLN 647 N 0.41 0.73 -0.45 1.46 4.20 -1.11 -2.80 115.11 117.55 3k5n h GLN 647 Ca -0.08 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.34 3k5n h GLN 647 Cb 1.52 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 3k5n h GLN 647 CO 0.17 0.96 0.18 0.35 -0.67 0.00 0.00 178.83 179.82 3k5n h PHE 648 N 0.50 0.32 -0.22 2.96 3.57 -0.65 -1.00 116.94 122.41 3k5n h PHE 648 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3k5n h PHE 648 Cb 0.77 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3k5n h PHE 648 CO 0.06 0.13 0.05 0.37 -2.23 0.00 0.00 178.31 176.69 3k5n h GLN 649 N 0.36 0.36 0.51 1.11 4.15 -1.11 0.12 115.11 120.62 3k5n h GLN 649 Ca 0.21 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3k5n h GLN 649 Cb 0.18 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3k5n h GLN 649 CO -0.20 0.49 -0.31 1.96 -1.93 0.00 0.00 178.83 178.85 3k5n h GLN 650 N 0.18 -0.75 -0.44 1.69 7.50 -1.29 0.48 115.11 122.48 3k5n h GLN 650 Ca 0.07 0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.30 3k5n h GLN 650 Cb 0.30 0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 3k5n h GLN 650 CO 0.00 -0.50 0.22 0.93 -1.50 0.00 0.00 178.83 177.99 3k5n h GLU 651 N -0.77 0.43 -0.47 1.46 5.08 -1.18 -1.40 114.58 117.71 3k5n h GLU 651 Ca -0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3k5n h GLU 651 Cb 0.63 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3k5n h GLU 651 CO 0.07 0.28 0.16 1.25 -1.00 0.00 0.00 179.01 179.77 3k5n h LEU 652 N 0.44 0.68 -0.30 1.33 5.85 -0.53 -2.60 115.31 120.17 3k5n h LEU 652 Ca 0.19 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3k5n h LEU 652 Cb 0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3k5n h LEU 652 CO -0.13 0.70 0.05 1.88 -0.34 0.00 0.00 178.44 180.60 3k5n h TYR 653 N 0.63 0.53 -0.03 1.25 -1.99 0.37 -2.80 116.97 114.93 3k5n h TYR 653 Ca 0.15 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.68 3k5n h TYR 653 Cb 0.25 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 3k5n h TYR 653 CO 0.01 0.58 -0.57 1.37 -0.00 0.00 0.00 178.16 179.55 3k5n h LEU 654 N 0.33 0.09 0.00 3.88 8.10 -1.26 0.69 115.31 127.14 3k5n h LEU 654 Ca 0.09 -0.05 0.01 0.00 0.11 0.00 0.00 57.88 58.04 3k5n h LEU 654 Cb 0.34 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 3k5n h LEU 654 CO 0.01 0.64 -0.04 0.03 -4.11 0.00 0.00 178.44 174.97 3k5n h ARG 655 N 0.06 -0.08 -0.55 0.17 3.08 -1.38 0.26 114.38 115.95 3k5n h ARG 655 Ca -0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k5n h ARG 655 Cb 1.03 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 3k5n h ARG 655 CO 0.08 -0.05 0.34 0.82 -1.07 0.00 0.00 179.97 180.08 3k5n h ILE 656 N -0.08 1.16 -0.92 2.04 2.04 -1.22 0.24 117.51 120.77 3k5n h ILE 656 Ca 0.02 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.65 3k5n h ILE 656 Cb 0.10 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 3k5n h ILE 656 CO -0.04 0.16 0.59 -0.26 0.00 0.00 0.00 178.15 178.60 3k5n h PHE 657 N 0.74 0.98 -0.16 1.37 0.04 0.11 0.20 116.94 120.22 3k5n h PHE 657 Ca 0.20 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3k5n h PHE 657 Cb -0.03 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.81 3k5n h PHE 657 CO -0.03 0.41 0.00 0.54 -0.60 0.00 0.00 178.31 178.64 3k5n n ARG 658 N -4.56 1.66 -1.66 1.51 1.74 0.85 -4.80 116.66 111.40 3k5n n ARG 658 Ca 0.17 -0.69 -0.18 0.00 -0.77 0.00 0.00 57.85 56.38 3k5n n ARG 658 Cb 0.36 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 3k5n n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k5n n ASN 659 N 0.08 -4.80 -4.89 0.55 3.02 0.70 -4.92 115.26 105.00 3k5n n ASN 659 Ca 0.06 0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 54.73 3k5n n ASN 659 Cb 0.31 -4.26 0.08 0.00 -0.61 0.00 0.00 39.78 35.29 3k5n n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k5n s GLU 660 N -3.76 2.10 0.03 3.52 2.02 0.63 -5.00 118.70 118.24 3k5n s GLU 660 Ca 0.00 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.55 3k5n s GLU 660 Cb 0.00 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 32.02 3k5n s GLU 660 CO 0.00 -1.32 0.52 -1.25 0.02 0.00 0.00 175.26 173.23 3k5n s PRO 661 N -5.29 4.15 0.00 0.39 0.04 -1.26 -4.35 135.00 128.68 3k5n s PRO 661 Ca 0.61 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3k5n s PRO 661 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3k5n s PRO 661 CO 0.45 0.58 0.05 2.48 0.04 0.00 0.00 177.00 180.60 3k5n n TYR 662 N 2.04 0.00 -0.34 0.56 0.18 -1.26 -4.81 117.16 113.53 3k5n n TYR 662 Ca -0.11 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.70 3k5n n TYR 662 Cb 0.51 0.00 0.20 0.00 -0.38 0.00 0.00 39.34 39.67 3k5n n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k5n h GLN 663 N 0.00 1.09 0.00 -3.48 4.20 -2.01 -2.52 115.11 112.40 3k5n h GLN 663 Ca 0.00 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 3k5n h GLN 663 Cb 0.00 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3k5n h GLN 663 CO 0.00 0.72 -0.87 0.93 -0.67 0.00 0.00 178.83 178.95 3k5n h GLU 664 N 1.13 0.03 -0.79 1.46 5.08 -2.01 -3.16 114.58 116.33 3k5n h GLU 664 Ca 0.40 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3k5n h GLU 664 Cb 0.14 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3k5n h GLU 664 CO -0.15 0.88 0.47 -0.92 -1.00 0.00 0.00 179.01 178.29 3k5n h TYR 665 N 0.02 0.87 -0.72 4.33 3.20 -1.77 -1.85 116.97 121.04 3k5n h TYR 665 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3k5n h TYR 665 Cb 1.52 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 3k5n h TYR 665 CO 0.01 0.43 0.25 0.28 -1.64 0.00 0.00 178.16 177.48 3k5n h VAL 666 N 0.86 1.25 0.12 1.81 2.07 -1.47 -1.51 116.25 119.38 3k5n h VAL 666 Ca 0.35 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3k5n h VAL 666 Cb 0.18 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3k5n h VAL 666 CO -0.18 0.34 -0.06 0.03 0.02 0.00 0.00 177.57 177.72 3k5n h ARG 667 N 1.07 -0.16 -0.87 1.57 2.47 -1.41 -1.68 114.38 115.36 3k5n h ARG 667 Ca 0.24 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.06 3k5n h ARG 667 Cb 0.27 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.55 3k5n h ARG 667 CO -0.01 0.19 0.52 0.93 0.56 0.00 0.00 179.97 182.16 3k5n h GLU 668 N -0.53 0.87 -0.08 0.04 5.08 -1.33 2.90 114.58 121.52 3k5n h GLU 668 Ca -0.02 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3k5n h GLU 668 Cb 0.42 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3k5n h GLU 668 CO 0.03 0.57 -0.09 1.15 -1.00 0.00 0.00 179.01 179.67 3k5n h THR 669 N 0.89 0.74 -0.40 1.13 2.02 -1.16 1.36 112.91 117.49 3k5n h THR 669 Ca 0.41 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.53 3k5n h THR 669 Cb 0.33 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3k5n h THR 669 CO -0.23 0.00 -0.00 0.40 0.37 0.00 0.00 175.52 176.06 3k5n h ILE 670 N -0.12 1.26 -0.54 3.11 2.04 0.12 -0.48 117.51 122.90 3k5n h ILE 670 Ca 0.06 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.95 3k5n h ILE 670 Cb 0.21 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3k5n h ILE 670 CO -0.15 0.34 0.30 0.44 0.00 0.00 0.00 178.15 179.08 3k5n h ASP 671 N 0.53 0.47 -0.35 1.72 3.32 0.61 -0.69 116.42 122.02 3k5n h ASP 671 Ca 0.11 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3k5n h ASP 671 Cb 0.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3k5n h ASP 671 CO 0.02 0.33 -0.32 0.11 -1.72 0.00 0.00 179.24 177.66 3k5n h LYS 672 N 0.60 0.84 -0.14 3.56 1.57 0.19 -0.17 116.57 123.02 3k5n h LYS 672 Ca 0.22 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3k5n h LYS 672 Cb 0.07 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3k5n h LYS 672 CO -0.12 1.07 -0.36 1.25 -0.57 0.00 0.00 179.45 180.72 3k5n h LEU 673 N 0.63 -1.11 -1.78 2.94 5.85 -0.52 0.44 115.31 121.75 3k5n h LEU 673 Ca 0.06 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3k5n h LEU 673 Cb 0.90 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3k5n h LEU 673 CO 0.08 -0.38 -0.16 0.24 -0.34 0.00 0.00 178.44 177.88 3k5n h MET 674 N -0.43 0.00 0.00 1.25 2.86 -1.08 -1.68 114.93 115.85 3k5n h MET 674 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3k5n h MET 674 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3k5n h MET 674 CO -0.37 0.16 0.00 0.00 1.06 0.00 0.00 176.91 177.76 3k5n n ALA 675 N -2.37 1.79 -0.50 6.32 0.00 0.07 -4.84 120.51 120.98 3k5n n ALA 675 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k5n n ALA 675 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3k5n n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5n n GLY 676 N 0.27 0.75 0.18 0.00 0.00 -0.63 -4.94 105.19 100.81 3k5n n GLY 676 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3k5n n GLY 676 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k5n h GLU 677 N 3.44 0.00 -2.21 1.61 5.08 -1.57 -3.39 114.58 117.55 3k5n h GLU 677 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3k5n h GLU 677 Cb 0.00 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.83 3k5n h GLU 677 CO 0.00 0.35 -0.59 1.28 -1.00 0.00 0.00 179.01 179.05 3k5n n LEU 678 N -3.29 3.91 -0.01 1.33 4.77 -1.25 -4.81 117.00 117.66 3k5n n LEU 678 Ca 0.01 -5.48 0.09 0.00 -0.03 0.00 0.00 56.01 50.60 3k5n n LEU 678 Cb 0.59 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 3k5n n LEU 678 CO 0.37 2.10 -0.60 0.47 -1.33 0.00 0.00 177.39 178.41 3k5n n ASP 679 N 0.68 0.79 0.30 -1.43 8.00 -1.26 -4.15 116.55 119.47 3k5n n ASP 679 Ca 0.30 -0.16 0.19 0.00 0.71 0.00 0.00 54.79 55.82 3k5n n ASP 679 Cb 0.41 1.69 0.97 0.00 -0.02 0.00 0.00 41.12 44.17 3k5n n ASP 679 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k5n h ALA 680 N 1.84 1.35 -0.43 2.24 0.00 -1.94 0.40 119.26 122.72 3k5n h ALA 680 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k5n h ALA 680 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k5n h ALA 680 CO 0.00 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.59 3k5n n ARG 681 N -3.23 2.45 -0.16 0.00 1.74 -1.26 -4.47 116.66 111.73 3k5n n ARG 681 Ca -0.01 -2.21 0.10 0.00 -0.77 0.00 0.00 57.85 54.95 3k5n n ARG 681 Cb 0.25 -1.51 0.27 0.00 -1.02 0.00 0.00 32.46 30.46 3k5n n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k5n n LEU 682 N 1.39 2.34 -4.65 0.55 4.32 0.13 -2.47 117.00 118.61 3k5n n LEU 682 Ca 0.20 -1.07 -0.40 0.00 -0.02 0.00 0.00 56.01 54.72 3k5n n LEU 682 Cb 0.57 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 42.09 3k5n n LEU 682 CO 0.16 0.53 0.33 -0.69 -1.22 0.00 0.00 177.39 176.50 3k5n s VAL 683 N -1.57 5.04 0.86 4.08 1.01 -1.26 -4.64 120.40 123.92 3k5n s VAL 683 Ca 0.33 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.26 3k5n s VAL 683 Cb 0.18 -3.90 0.13 0.00 0.00 0.00 0.00 36.38 32.78 3k5n s VAL 683 CO 0.25 0.11 1.22 -0.31 0.00 0.00 0.00 175.10 176.37 3k5n s TYR 684 N 2.00 2.41 -0.02 5.22 2.02 -0.56 -4.63 117.35 123.79 3k5n s TYR 684 Ca 0.26 0.55 -0.08 0.00 -0.37 0.00 0.00 57.07 57.43 3k5n s TYR 684 Cb -0.16 -3.72 0.01 0.00 -0.40 0.00 0.00 41.96 37.69 3k5n s TYR 684 CO 0.10 -2.10 0.17 0.50 -1.57 0.00 0.00 175.55 172.65 3k5n s ARG 685 N -5.68 0.44 0.12 -0.62 6.06 -1.26 -3.42 118.95 114.59 3k5n s ARG 685 Ca 0.67 -0.22 -0.22 0.00 -2.50 0.00 0.00 55.73 53.45 3k5n s ARG 685 Cb -0.08 0.19 0.06 0.00 0.06 0.00 0.00 34.95 35.18 3k5n s ARG 685 CO 0.50 -0.10 0.57 0.21 -2.50 0.00 0.00 175.30 173.98 3k5n s LYS 686 N -1.02 1.20 0.06 5.12 2.47 -0.20 -4.58 119.74 122.79 3k5n s LYS 686 Ca -0.11 -0.42 0.02 0.00 -1.56 0.00 0.00 55.97 53.90 3k5n s LYS 686 Cb -0.06 0.55 -0.04 0.00 -1.46 0.00 0.00 37.83 36.82 3k5n s LYS 686 CO 0.02 -0.50 0.08 -0.98 0.16 0.00 0.00 175.35 174.12 3k5n s ARG 687 N -3.40 2.92 -0.34 4.03 1.70 -1.26 0.27 118.95 122.86 3k5n s ARG 687 Ca -0.00 -0.65 -0.12 0.00 -0.47 0.00 0.00 55.73 54.49 3k5n s ARG 687 Cb -0.00 -2.75 -0.01 0.00 -0.57 0.00 0.00 34.95 31.61 3k5n s ARG 687 CO -0.10 0.58 0.22 -0.51 -1.08 0.00 0.00 175.30 174.42 3k5n s LEU 688 N -2.25 4.48 -0.58 -1.89 1.43 21.66 -4.78 118.68 136.75 3k5n s LEU 688 Ca 0.28 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3k5n s LEU 688 Cb -0.12 -2.10 0.24 0.00 0.03 0.00 0.00 46.19 44.23 3k5n s LEU 688 CO 0.20 -0.25 0.64 0.54 0.23 0.00 0.00 176.35 177.72 3k5n n ARG 689 N 5.07 1.90 0.00 1.70 1.74 -1.26 0.47 116.66 126.28 3k5n n ARG 689 Ca -0.13 -4.23 0.00 0.00 -0.77 0.00 0.00 57.85 52.72 3k5n n ARG 689 Cb 0.49 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3k5n n ARG 689 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3k5n n ARG 690 N 1.21 -0.98 -3.61 5.56 3.00 -1.26 -4.90 116.66 115.68 3k5n n ARG 690 Ca 0.27 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.75 3k5n n ARG 690 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.80 3k5n n ARG 690 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3k5n s PRO 691 N -1.81 4.06 0.44 -0.14 0.02 -1.26 0.59 135.00 136.91 3k5n s PRO 691 Ca 0.00 -0.21 0.28 0.00 0.02 0.00 0.00 61.00 61.09 3k5n s PRO 691 Cb 0.00 -3.56 1.34 0.00 0.02 0.00 0.00 34.50 32.30 3k5n s PRO 691 CO 0.00 0.00 1.68 -0.07 -0.33 0.00 0.00 177.00 178.28 3k5n h LEU 692 N 7.69 0.28 -0.99 -5.54 4.07 -1.63 1.72 115.31 120.92 3k5n h LEU 692 Ca -0.37 0.10 0.06 0.00 0.08 0.00 0.00 57.88 57.75 3k5n h LEU 692 Cb 1.17 0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.92 3k5n h LEU 692 CO 0.65 -0.08 0.64 0.77 -1.08 0.00 0.00 178.44 179.34 3k5n h SER 693 N 0.17 1.03 0.06 -0.43 4.64 -1.93 -0.08 113.55 117.01 3k5n h SER 693 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 3k5n h SER 693 Cb 2.25 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3k5n h SER 693 CO -0.33 0.68 0.00 -0.62 -0.87 0.00 0.00 176.83 175.68 3k5n n GLU 694 N -4.50 0.43 -3.54 4.77 1.02 0.58 -4.34 120.64 115.07 3k5n n GLU 694 Ca 0.14 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 3k5n n GLU 694 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 3k5n n GLU 694 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k5n s TYR 695 N -2.11 3.23 -0.00 -0.32 2.02 -0.05 -4.86 117.35 115.25 3k5n s TYR 695 Ca 0.21 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3k5n s TYR 695 Cb 0.11 -2.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.18 3k5n s TYR 695 CO 0.19 -0.49 0.00 1.04 -1.57 0.00 0.00 175.55 174.72 3k5n n GLN 696 N 5.08 3.32 -4.98 -0.62 1.13 -1.26 -4.97 117.38 115.09 3k5n n GLN 696 Ca -0.12 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.61 3k5n n GLN 696 Cb 0.48 -1.01 -0.15 0.00 0.11 0.00 0.00 30.24 29.67 3k5n n GLN 696 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3k5n s ARG 697 N -2.01 2.97 -1.22 -1.09 3.52 -1.26 -4.74 118.95 115.11 3k5n s ARG 697 Ca -0.00 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.69 3k5n s ARG 697 Cb 0.00 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 3k5n s ARG 697 CO 0.02 0.33 0.69 0.09 -0.81 0.00 0.00 175.30 175.62 3k5n n ASN 698 N 3.14 -3.67 -4.77 -2.12 3.02 -1.26 -4.92 115.26 104.69 3k5n n ASN 698 Ca -0.18 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.97 3k5n n ASN 698 Cb 0.52 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3k5n n ASN 698 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3k5n s VAL 699 N -3.61 2.87 0.24 2.41 -7.23 -1.26 -5.07 120.40 108.76 3k5n s VAL 699 Ca 0.31 0.87 0.02 0.00 -1.81 0.00 0.00 61.98 61.37 3k5n s VAL 699 Cb -0.11 -3.55 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 3k5n s VAL 699 CO 0.86 0.20 0.40 -2.16 -0.31 0.00 0.00 175.10 174.09 3k5n s PRO 700 N -1.64 3.47 0.17 4.82 0.04 -1.26 -4.86 135.00 135.74 3k5n s PRO 700 Ca 0.49 -0.54 -0.26 0.00 0.04 0.00 0.00 61.00 60.72 3k5n s PRO 700 Cb -0.38 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.33 3k5n s PRO 700 CO 0.50 0.37 1.48 -2.30 0.04 0.00 0.00 177.00 177.09 3k5n n PRO 701 N -1.19 -0.37 0.15 0.56 -0.02 -1.26 0.35 135.00 133.22 3k5n n PRO 701 Ca -0.07 1.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.95 3k5n n PRO 701 Cb 0.56 -2.14 0.58 0.00 -0.02 0.00 0.00 33.50 32.47 3k5n n PRO 701 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3k5n h HIS 702 N 0.00 0.17 -0.09 6.00 2.07 -1.95 0.78 115.15 122.13 3k5n h HIS 702 Ca 0.20 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 3k5n h HIS 702 Cb 0.44 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.36 3k5n h HIS 702 CO -0.95 0.10 -0.00 0.28 -3.07 0.00 0.00 177.93 174.29 3k5n h VAL 703 N 0.18 1.26 -0.34 6.12 2.07 -0.37 3.56 116.25 128.72 3k5n h VAL 703 Ca 0.08 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3k5n h VAL 703 Cb 0.10 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3k5n h VAL 703 CO -0.01 0.23 0.08 0.03 0.02 0.00 0.00 177.57 177.92 3k5n h ARG 704 N -0.12 0.20 -0.01 1.57 2.47 1.19 -1.01 114.38 118.66 3k5n h ARG 704 Ca 0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3k5n h ARG 704 Cb 0.36 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3k5n h ARG 704 CO 0.01 0.13 -0.20 0.00 0.56 0.00 0.00 179.97 180.46 3k5n n ALA 705 N -2.38 2.95 -0.03 0.04 0.00 0.21 -1.69 120.51 119.61 3k5n n ALA 705 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.96 3k5n n ALA 705 Cb 0.15 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 3k5n n ALA 705 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5n h ALA 706 N 3.59 0.19 -0.41 0.00 0.00 0.80 -0.02 119.26 123.41 3k5n h ALA 706 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3k5n h ALA 706 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3k5n h ALA 706 CO 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 179.25 179.27 3k5n h ARG 707 N 0.06 0.91 -0.15 0.00 3.08 -1.17 -1.41 114.38 115.70 3k5n h ARG 707 Ca -0.03 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 3k5n h ARG 707 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3k5n h ARG 707 CO 0.09 1.09 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.69 3k5n h LEU 708 N 0.76 0.29 -0.01 3.04 3.38 -1.33 0.92 115.31 122.38 3k5n h LEU 708 Ca 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3k5n h LEU 708 Cb 0.88 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3k5n h LEU 708 CO 0.08 0.61 -0.34 0.00 0.09 0.00 0.00 178.44 178.88 3k5n h ALA 709 N 1.41 0.05 0.00 1.53 0.00 -0.91 -3.30 119.26 118.05 3k5n h ALA 709 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3k5n h ALA 709 Cb 0.70 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3k5n h ALA 709 CO 0.05 0.15 -0.11 -0.44 0.00 0.00 0.00 179.25 178.91 3k5n h ASP 710 N -0.38 0.00 -0.69 0.00 3.32 -1.18 -2.94 116.42 114.55 3k5n h ASP 710 Ca -0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3k5n h ASP 710 Cb 1.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3k5n h ASP 710 CO 0.07 0.11 0.22 -0.08 -1.72 0.00 0.00 179.24 177.83 3k5n h GLU 711 N 0.00 1.09 -0.00 3.56 4.57 -0.89 -1.66 114.58 121.25 3k5n h GLU 711 Ca -0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3k5n h GLU 711 Cb 0.75 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3k5n h GLU 711 CO 0.01 0.93 -0.20 0.39 -1.18 0.00 0.00 179.01 178.96 3k5n n GLU 712 N -4.26 0.63 0.00 1.92 1.02 -1.20 -2.42 120.64 116.34 3k5n n GLU 712 Ca 0.06 -0.29 0.07 0.00 -0.02 0.00 0.00 57.16 56.98 3k5n n GLU 712 Cb 0.23 -1.49 0.42 0.00 -0.02 0.00 0.00 31.44 30.57 3k5n n GLU 712 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k5n n ASN 713 N -0.93 0.00 0.00 1.62 5.03 -0.63 -2.15 115.26 118.20 3k5n n ASN 713 Ca 0.12 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.31 3k5n n ASN 713 Cb 0.31 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 3k5n n ASN 713 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3k5n n GLN 714 N -1.11 3.38 0.33 3.52 7.27 -1.08 0.29 117.38 129.97 3k5n n GLN 714 Ca 0.10 0.00 0.21 0.00 0.07 0.00 0.00 57.00 57.38 3k5n n GLN 714 Cb 0.08 -0.99 1.14 0.00 2.41 0.00 0.00 30.24 32.88 3k5n n GLN 714 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3k5n h LYS 715 N 0.00 0.00 -2.18 3.69 1.57 -1.08 -1.80 116.57 116.78 3k5n h LYS 715 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3k5n h LYS 715 Cb 0.98 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.89 3k5n h LYS 715 CO 0.00 0.00 -0.93 0.54 -0.57 0.00 0.00 179.45 178.49 3k5n n ARG 716 N -3.15 1.14 0.00 3.15 3.00 -1.16 -5.03 116.66 114.61 3k5n n ARG 716 Ca -0.03 -3.65 0.00 0.00 -0.01 0.00 0.00 57.85 54.17 3k5n n ARG 716 Cb 0.12 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.97 3k5n n ARG 716 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k5n n GLY 717 N 1.53 0.00 3.05 -0.13 0.00 -0.68 -4.88 105.19 104.09 3k5n n GLY 717 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3k5n n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5n s ARG 718 N 0.00 0.48 0.27 1.61 0.52 0.82 -4.90 118.95 117.75 3k5n s ARG 718 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 3k5n s ARG 718 Cb 0.00 0.18 -0.11 0.00 0.52 0.00 0.00 34.95 35.54 3k5n s ARG 718 CO 0.00 -0.10 1.53 -1.25 0.02 0.00 0.00 175.30 175.51 3k5n s PRO 719 N -2.48 4.18 -0.42 3.54 0.04 -1.26 -4.30 135.00 134.31 3k5n s PRO 719 Ca -0.06 2.46 -0.28 0.00 0.04 0.00 0.00 61.00 63.15 3k5n s PRO 719 Cb -0.02 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3k5n s PRO 719 CO -0.04 -0.55 1.52 -0.51 0.04 0.00 0.00 177.00 177.46 3k5n s LEU 720 N -0.34 3.53 0.00 -3.56 1.43 -1.26 -4.90 118.68 113.58 3k5n s LEU 720 Ca 0.62 0.85 0.23 0.00 -1.03 0.00 0.00 54.13 54.80 3k5n s LEU 720 Cb -0.45 -3.44 0.51 0.00 0.03 0.00 0.00 46.19 42.84 3k5n s LEU 720 CO 0.45 -1.57 1.44 1.67 0.23 0.00 0.00 176.35 178.57 3k5n n GLN 721 N 8.28 2.24 -0.00 1.70 -0.06 -1.26 -4.38 117.38 123.90 3k5n n GLN 721 Ca 0.18 -1.87 0.00 0.00 -2.00 0.00 0.00 57.00 53.31 3k5n n GLN 721 Cb 0.48 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 3k5n n GLN 721 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3k5n n TYR 722 N 1.11 0.00 0.17 3.69 4.01 -1.26 -4.84 117.16 120.04 3k5n n TYR 722 Ca 0.18 -0.45 0.02 0.00 -0.16 0.00 0.00 57.90 57.49 3k5n n TYR 722 Cb 0.52 -0.05 0.30 0.00 -0.31 0.00 0.00 39.34 39.80 3k5n n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k5n h GLN 723 N 0.01 0.00 -2.09 -0.72 1.08 -1.93 -3.40 115.11 108.06 3k5n h GLN 723 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3k5n h GLN 723 Cb 0.45 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.48 3k5n h GLN 723 CO 0.00 0.46 -0.92 0.27 -0.95 0.00 0.00 178.83 177.68 3k5n n ASN 724 N -3.84 1.81 -0.84 1.46 2.04 -1.26 -2.02 115.26 112.60 3k5n n ASN 724 Ca -0.01 -3.07 0.00 0.00 -0.44 0.00 0.00 54.58 51.05 3k5n n ASN 724 Cb 0.50 -0.64 0.00 0.00 -2.53 0.00 0.00 39.78 37.11 3k5n n ASN 724 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3k5n n ARG 725 N 0.87 -0.88 0.00 -3.83 5.12 2.49 -4.69 116.66 115.75 3k5n n ARG 725 Ca 0.25 1.05 0.00 0.00 -1.93 0.00 0.00 57.85 57.22 3k5n n ARG 725 Cb 0.50 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 3k5n n ARG 725 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3k5n n GLY 726 N 0.30 1.07 2.93 -0.13 0.00 1.69 -4.80 105.19 106.25 3k5n n GLY 726 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 3k5n n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5n s THR 727 N -1.24 0.54 0.02 2.61 2.01 -1.26 1.72 115.64 120.04 3k5n s THR 727 Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.83 3k5n s THR 727 Cb 0.00 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 3k5n s THR 727 CO 0.00 0.20 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.56 3k5n s ILE 728 N 0.51 0.45 -0.14 1.82 2.07 0.14 -4.83 121.20 121.22 3k5n s ILE 728 Ca -0.07 -0.58 -0.00 0.00 -1.41 0.00 0.00 60.65 58.59 3k5n s ILE 728 Cb -0.10 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 3k5n s ILE 728 CO 0.00 -0.10 -0.13 -1.59 -1.91 0.00 0.00 174.94 171.22 3k5n s LYS 729 N -0.73 3.36 0.43 3.50 -2.85 -1.26 -1.04 119.74 121.15 3k5n s LYS 729 Ca -0.03 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.32 3k5n s LYS 729 Cb -0.05 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.01 3k5n s LYS 729 CO 0.00 0.15 0.20 1.52 0.10 0.00 0.00 175.35 177.32 3k5n s TYR 730 N 0.51 2.52 0.16 1.78 -0.85 -1.22 -2.69 117.35 117.56 3k5n s TYR 730 Ca -0.09 -0.61 0.07 0.00 -0.52 0.00 0.00 57.07 55.92 3k5n s TYR 730 Cb -0.16 -1.96 -0.04 0.00 0.38 0.00 0.00 41.96 40.18 3k5n s TYR 730 CO 0.04 0.13 -0.16 0.08 -1.52 0.00 0.00 175.55 174.12 3k5n s VAL 731 N -2.62 1.64 -0.13 -3.49 1.01 0.44 -1.50 120.40 115.75 3k5n s VAL 731 Ca 0.40 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 3k5n s VAL 731 Cb 0.03 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3k5n s VAL 731 CO 0.22 -0.41 -0.01 0.86 0.00 0.00 0.00 175.10 175.76 3k5n s TRP 732 N -2.28 3.10 0.02 5.22 -0.11 -1.26 0.91 118.94 124.54 3k5n s TRP 732 Ca 0.15 -0.07 0.00 0.00 1.22 0.00 0.00 56.10 57.40 3k5n s TRP 732 Cb -0.04 -1.91 -0.00 0.00 -1.50 0.00 0.00 33.47 30.02 3k5n s TRP 732 CO 0.05 0.17 0.00 0.25 -4.62 0.00 0.00 176.95 172.81 3k5n n THR 733 N 3.03 0.00 -0.15 5.86 -2.24 -0.77 -2.40 114.28 117.61 3k5n n THR 733 Ca -0.18 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3k5n n THR 733 Cb 0.53 0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.83 3k5n n THR 733 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5n h THR 734 N 1.02 1.27 -0.64 4.28 1.03 -1.47 -3.05 112.91 115.34 3k5n h THR 734 Ca -0.02 -1.27 -0.16 0.00 -0.01 0.00 0.00 66.41 64.96 3k5n h THR 734 Cb 0.06 1.02 -0.10 0.00 -1.07 0.00 0.00 68.15 68.06 3k5n h THR 734 CO 0.03 0.44 0.18 0.59 -0.01 0.00 0.00 175.52 176.75 3k5n n ASN 735 N -4.14 4.75 0.00 0.00 4.13 -1.26 -5.04 115.26 113.70 3k5n n ASN 735 Ca 0.01 -3.19 0.00 0.00 1.68 0.00 0.00 54.58 53.08 3k5n n ASN 735 Cb 0.40 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 3k5n n ASN 735 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k5n n GLY 736 N -0.14 1.90 3.68 7.41 0.00 -1.15 -5.03 105.19 111.86 3k5n n GLY 736 Ca 0.37 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 3k5n n GLY 736 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k5n n PRO 737 N -0.60 2.04 -3.82 1.61 -0.02 -1.26 -1.84 135.00 131.10 3k5n n PRO 737 Ca 0.00 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3k5n n PRO 737 Cb 0.00 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 3k5n n PRO 737 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3k5n s GLU 738 N -1.10 0.46 0.76 -0.52 2.02 0.26 -4.59 118.70 115.99 3k5n s GLU 738 Ca 0.62 -0.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.34 3k5n s GLU 738 Cb -0.62 0.20 0.06 0.00 0.10 0.00 0.00 34.13 33.87 3k5n s GLU 738 CO 0.56 -0.10 1.19 -2.14 0.02 0.00 0.00 175.26 174.78 3k5n s PRO 739 N -0.90 1.96 0.09 0.39 0.02 -1.26 0.17 135.00 135.47 3k5n s PRO 739 Ca -0.10 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 62.44 3k5n s PRO 739 Cb -0.05 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 3k5n s PRO 739 CO 0.02 -1.95 1.40 1.25 -0.33 0.00 0.00 177.00 177.39 3k5n h LEU 740 N -0.62 0.70 0.12 -5.54 6.46 -1.82 -0.96 115.31 113.65 3k5n h LEU 740 Ca -0.47 -0.48 -0.27 0.00 -0.12 0.00 0.00 57.88 56.54 3k5n h LEU 740 Cb 1.29 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3k5n h LEU 740 CO 0.48 1.04 -1.23 0.44 -0.62 0.00 0.00 178.44 178.55 3k5n h ASP 741 N 0.38 0.39 -0.59 1.25 3.32 -1.93 -3.36 116.42 115.88 3k5n h ASP 741 Ca 0.04 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3k5n h ASP 741 Cb 0.85 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3k5n h ASP 741 CO 0.07 1.33 0.00 -1.22 -1.72 0.00 0.00 179.24 177.70 3k5n n TYR 742 N -3.52 1.11 -2.62 4.55 4.01 -1.24 -5.00 117.16 114.45 3k5n n TYR 742 Ca -0.08 -0.58 -0.41 0.00 -0.16 0.00 0.00 57.90 56.67 3k5n n TYR 742 Cb 1.02 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.86 3k5n n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3k5n s GLN 743 N -1.52 4.69 0.00 -0.72 0.74 -0.37 -4.75 119.66 117.73 3k5n s GLN 743 Ca 0.45 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.46 3k5n s GLN 743 Cb 0.27 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3k5n s GLN 743 CO 0.24 0.24 0.00 2.89 -0.55 0.00 0.00 175.29 178.11 3k5n n ARG 744 N 2.11 2.66 -1.14 1.67 1.85 -1.26 -5.00 116.66 117.55 3k5n n ARG 744 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.52 3k5n n ARG 744 Cb 0.47 -0.84 0.12 0.00 -1.05 0.00 0.00 32.46 31.15 3k5n n ARG 744 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3k5n n SER 745 N -1.48 0.70 -4.75 2.89 7.64 -1.26 -4.90 113.62 112.45 3k5n n SER 745 Ca 0.00 0.59 -0.38 0.00 1.01 0.00 0.00 58.87 60.08 3k5n n SER 745 Cb 0.31 -1.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.07 3k5n n SER 745 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3k5n s PRO 746 N -3.91 3.29 0.38 1.43 0.04 -1.26 -4.73 135.00 130.24 3k5n s PRO 746 Ca 0.72 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 63.65 3k5n s PRO 746 Cb -0.30 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 3k5n s PRO 746 CO 0.52 -1.05 1.40 -0.51 0.04 0.00 0.00 177.00 177.40 3k5n s LEU 747 N -3.37 4.31 -0.39 -3.56 1.43 -1.26 -1.33 118.68 114.51 3k5n s LEU 747 Ca 0.69 2.87 -0.06 0.00 -1.03 0.00 0.00 54.13 56.60 3k5n s LEU 747 Cb -0.39 -3.73 0.08 0.00 0.03 0.00 0.00 46.19 42.18 3k5n s LEU 747 CO 0.46 -0.80 0.18 -0.62 0.23 0.00 0.00 176.35 175.80 3k5n s ASP 748 N -0.38 5.35 0.37 2.29 -1.08 -1.01 -4.65 116.67 117.57 3k5n s ASP 748 Ca 0.53 -1.58 0.27 0.00 -0.52 0.00 0.00 52.55 51.25 3k5n s ASP 748 Cb -0.43 -1.88 0.85 0.00 -1.46 0.00 0.00 42.92 40.01 3k5n s ASP 748 CO 0.57 -0.47 1.77 1.88 0.52 0.00 0.00 175.17 179.44 3k5n h TYR 749 N 8.21 0.00 0.00 -5.34 0.05 -1.93 -2.65 116.97 115.31 3k5n h TYR 749 Ca -0.20 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.49 3k5n h TYR 749 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 3k5n h TYR 749 CO 0.59 0.00 -0.43 0.93 -1.05 0.00 0.00 178.16 178.20 3k5n h GLU 750 N 0.00 0.00 0.77 4.88 4.39 -1.95 0.14 114.58 122.81 3k5n h GLU 750 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3k5n h GLU 750 Cb 0.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3k5n h GLU 750 CO 0.00 0.43 -0.38 1.25 -1.16 0.00 0.00 179.01 179.16 3k5n h HIS 751 N 0.00 -0.98 -0.25 4.33 -0.00 -1.88 -1.89 115.15 114.49 3k5n h HIS 751 Ca -0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3k5n h HIS 751 Cb 0.91 0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 3k5n h HIS 751 CO 0.00 -0.60 0.12 1.88 -0.00 0.00 0.00 177.93 179.33 3k5n h TYR 752 N -1.04 0.22 -0.15 5.26 0.05 -1.52 1.36 116.97 121.16 3k5n h TYR 752 Ca -0.10 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.72 3k5n h TYR 752 Cb 0.80 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 3k5n h TYR 752 CO -0.03 0.12 -0.06 1.25 -1.05 0.00 0.00 178.16 178.39 3k5n h LEU 753 N 0.26 -0.22 0.14 3.88 5.85 -0.68 0.56 115.31 125.11 3k5n h LEU 753 Ca 0.10 0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 3k5n h LEU 753 Cb 0.03 0.12 0.03 0.00 0.37 0.00 0.00 40.66 41.22 3k5n h LEU 753 CO -0.07 -0.09 -1.18 0.74 -0.34 0.00 0.00 178.44 177.50 3k5n h THR 754 N -0.05 1.33 -0.09 1.05 2.02 -1.11 1.40 112.91 117.46 3k5n h THR 754 Ca 0.08 -2.49 -0.06 0.00 0.77 0.00 0.00 66.41 64.71 3k5n h THR 754 Cb 0.17 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3k5n h THR 754 CO -0.18 0.74 -0.19 -0.09 0.37 0.00 0.00 175.52 176.17 3k5n h ARG 755 N 0.11 0.30 0.00 6.66 9.65 0.19 -3.37 114.38 127.92 3k5n h ARG 755 Ca -0.19 -0.19 -0.16 0.00 -1.10 0.00 0.00 59.98 58.34 3k5n h ARG 755 Cb 1.88 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 30.46 3k5n h ARG 755 CO 0.22 0.79 -1.35 1.04 2.80 0.00 0.00 179.97 183.47 3k5n n GLN 756 N -4.54 0.32 -0.04 0.20 1.13 0.19 -4.61 117.38 110.02 3k5n n GLN 756 Ca -0.07 0.14 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 3k5n n GLN 756 Cb 0.41 -1.05 -0.08 0.00 0.11 0.00 0.00 30.24 29.63 3k5n n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k5n h LEU 757 N -0.57 0.53 -0.20 1.08 4.07 -1.21 -3.16 115.31 115.85 3k5n h LEU 757 Ca -0.24 -0.58 0.05 0.00 0.08 0.00 0.00 57.88 57.19 3k5n h LEU 757 Cb 1.03 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.55 3k5n h LEU 757 CO -0.14 1.01 -0.45 -0.61 -1.08 0.00 0.00 178.44 177.17 3k5n h GLN 758 N 0.06 -0.45 -0.47 1.13 5.75 0.17 -2.13 115.11 119.17 3k5n h GLN 758 Ca -0.00 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3k5n h GLN 758 Cb 0.95 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 3k5n h GLN 758 CO 0.07 -0.30 0.22 -1.00 -2.65 0.00 0.00 178.83 175.18 3k5n h PRO 759 N -0.47 0.68 -0.33 -2.39 0.13 -1.72 0.48 132.00 128.38 3k5n h PRO 759 Ca 0.08 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3k5n h PRO 759 Cb 0.63 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 3k5n h PRO 759 CO -0.45 0.58 0.16 -0.39 -0.23 0.00 0.00 178.00 177.67 3k5n h VAL 760 N 0.62 1.12 -0.08 1.56 -1.51 -1.49 0.33 116.25 116.80 3k5n h VAL 760 Ca 0.16 -0.33 -0.17 0.00 -1.23 0.00 0.00 66.70 65.13 3k5n h VAL 760 Cb 0.12 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 3k5n h VAL 760 CO -0.02 0.13 -0.68 0.00 -1.23 0.00 0.00 177.57 175.77 3k5n h ALA 761 N 1.72 0.69 -0.23 5.19 0.00 -1.13 -2.93 119.26 122.57 3k5n h ALA 761 Ca 0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3k5n h ALA 761 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k5n h ALA 761 CO -0.02 0.76 0.02 1.49 0.00 0.00 0.00 179.25 181.50 3k5n h GLU 762 N 0.24 0.34 -0.14 0.00 4.57 0.19 -2.23 114.58 117.53 3k5n h GLU 762 Ca -0.02 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3k5n h GLU 762 Cb 1.23 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3k5n h GLU 762 CO 0.11 0.35 -0.17 0.78 -1.18 0.00 0.00 179.01 178.90 3k5n h GLY 763 N 0.60 0.25 0.00 1.92 0.00 -0.87 -3.37 103.07 101.60 3k5n h GLY 763 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3k5n h GLY 763 CO 0.00 0.15 -1.19 4.51 0.00 0.00 0.00 176.54 180.01 3k5n n ILE 764 N -4.24 0.04 -0.00 2.60 3.06 -1.13 -4.68 119.36 115.00 3k5n n ILE 764 Ca -0.01 -0.10 -0.04 0.00 -2.50 0.00 0.00 62.75 60.11 3k5n n ILE 764 Cb 0.30 0.19 0.20 0.00 0.54 0.00 0.00 39.64 40.86 3k5n n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3k5n h LEU 765 N 0.00 0.52 -1.45 9.51 4.07 -1.56 -3.05 115.31 123.35 3k5n h LEU 765 Ca -0.02 -0.17 0.25 0.00 0.08 0.00 0.00 57.88 58.03 3k5n h LEU 765 Cb 0.36 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 41.87 3k5n h LEU 765 CO 0.00 0.74 0.66 -0.65 -1.08 0.00 0.00 178.44 178.11 3k5n h PRO 766 N 0.47 0.36 0.02 1.13 0.11 -1.82 -0.59 132.00 131.68 3k5n h PRO 766 Ca 0.07 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.95 3k5n h PRO 766 Cb 0.63 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.68 3k5n h PRO 766 CO 0.05 0.24 -0.84 0.74 -0.21 0.00 0.00 178.00 177.98 3k5n h PHE 767 N 0.37 0.81 0.00 0.65 0.04 -1.87 -3.25 116.94 113.70 3k5n h PHE 767 Ca 0.55 -0.45 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 3k5n h PHE 767 Cb 1.45 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.51 3k5n h PHE 767 CO -0.00 1.29 -0.20 0.97 -0.60 0.00 0.00 178.31 179.76 3k5n h ILE 768 N 0.11 0.51 0.00 -0.55 2.10 -1.31 -3.46 117.51 114.92 3k5n h ILE 768 Ca -0.11 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.80 3k5n h ILE 768 Cb 1.53 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 3k5n h ILE 768 CO 0.16 0.20 0.00 1.21 -1.08 0.00 0.00 178.15 178.64 3k5n n GLU 769 N -3.39 0.00 -0.69 2.19 4.07 -0.34 -5.13 120.64 117.35 3k5n n GLU 769 Ca -0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3k5n n GLU 769 Cb 0.40 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.74 3k5n n GLU 769 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3k5n n ASP 770 N 0.00 -3.99 -0.03 4.31 9.92 -1.26 -4.87 116.55 120.63 3k5n n ASP 770 Ca 0.00 0.59 0.01 0.00 -0.53 0.00 0.00 54.79 54.86 3k5n n ASP 770 Cb 0.00 -2.31 -0.00 0.00 -0.64 0.00 0.00 41.12 38.16 3k5n n ASP 770 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3k5n n ASN 771 N -3.26 0.53 -0.26 -2.24 6.94 -1.26 -4.62 115.26 111.09 3k5n n ASN 771 Ca -0.03 -0.77 -0.00 0.00 -0.02 0.00 0.00 54.58 53.76 3k5n n ASN 771 Cb 0.33 0.59 0.21 0.00 -2.36 0.00 0.00 39.78 38.55 3k5n n ASN 771 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 3k5n h PHE 772 N 0.16 1.03 0.00 -2.53 0.05 -2.03 -3.38 116.94 110.25 3k5n h PHE 772 Ca 0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3k5n h PHE 772 Cb 0.06 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.66 3k5n h PHE 772 CO 0.00 0.65 0.00 0.00 -0.18 0.00 0.00 178.31 178.78 3k5n n ALA 773 N -2.41 0.00 -3.84 2.45 0.00 -1.26 -4.60 120.51 110.85 3k5n n ALA 773 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 3k5n n ALA 773 Cb 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 3k5n n ALA 773 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k5n s THR 774 N -1.55 0.80 -0.21 0.00 2.01 -1.26 -5.08 115.64 110.34 3k5n s THR 774 Ca 0.00 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 3k5n s THR 774 Cb 0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3k5n s THR 774 CO 0.00 0.21 0.08 -0.22 -0.69 0.00 0.00 174.62 174.00 3k5n s LEU 775 N 1.79 3.76 -0.37 4.42 2.96 -1.26 -4.95 118.68 125.02 3k5n s LEU 775 Ca 0.03 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3k5n s LEU 775 Cb -0.14 -1.98 0.67 0.00 0.50 0.00 0.00 46.19 45.25 3k5n s LEU 775 CO -0.07 0.10 1.80 0.23 -1.32 0.00 0.00 176.35 177.09 3k5n n MET 776 N 4.06 2.77 -1.61 1.98 2.81 -1.26 -4.97 117.12 120.90 3k5n n MET 776 Ca -0.16 -3.06 -0.38 0.00 -1.81 0.00 0.00 57.70 52.29 3k5n n MET 776 Cb 0.52 -2.14 0.05 0.00 -0.71 0.00 0.00 33.22 30.94 3k5n n MET 776 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k5n n THR 777 N -0.76 3.43 -3.74 2.03 -2.24 -1.26 -4.98 114.28 106.75 3k5n n THR 777 Ca 0.48 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3k5n n THR 777 Cb 1.46 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.44 3k5n n THR 777 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k5n s GLY 778 N -1.16 -0.26 0.00 3.38 0.00 -1.11 -4.85 107.32 103.32 3k5n s GLY 778 Ca 0.73 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.54 3k5n s GLY 778 CO 0.49 1.04 0.00 -0.18 0.00 0.00 0.00 173.10 174.45 3k5n n GLN 779 N 3.27 0.00 -0.28 2.90 -0.06 -1.26 -3.23 117.38 118.72 3k5n n GLN 779 Ca -0.16 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 54.91 3k5n n GLN 779 Cb 0.57 0.00 0.21 0.00 -4.06 0.00 0.00 30.24 26.96 3k5n n GLN 779 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3k5n n LEU 780 N 0.00 3.38 0.00 1.69 7.99 -1.26 -4.91 117.00 123.88 3k5n n LEU 780 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 56.01 53.85 3k5n n LEU 780 Cb 0.00 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 3k5n n LEU 780 CO 0.00 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 3k5n n GLY 781 N 0.66 0.76 3.77 -0.72 0.00 -1.20 -4.98 105.19 103.48 3k5n n GLY 781 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3k5n n GLY 781 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5n s LEU 782 N 0.00 4.28 0.00 0.99 1.02 -1.26 -4.48 118.68 119.23 3k5n s LEU 782 Ca 0.00 2.40 0.00 0.00 0.02 0.00 0.00 54.13 56.55 3k5n s LEU 782 Cb 0.00 -3.91 0.00 0.00 0.02 0.00 0.00 46.19 42.30 3k5n s LEU 782 CO 0.00 -0.59 0.24 0.33 0.02 0.00 0.00 176.35 176.35