#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5g s ARG 3 N 0.00 2.96 -0.10 0.00 3.52 -1.26 0.69 118.95 124.75 1k5g s ARG 3 Ca 0.00 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1k5g s ARG 3 Cb 0.00 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1k5g s ARG 3 CO 0.00 -0.06 -0.13 0.12 -0.81 0.00 0.00 175.30 174.42 1k5g s PHE 4 N 0.92 2.79 -0.16 5.12 5.36 -0.29 -5.01 117.98 126.72 1k5g s PHE 4 Ca -0.05 -0.45 -0.24 0.00 -0.96 0.00 0.00 56.93 55.24 1k5g s PHE 4 Cb -0.15 -1.77 0.06 0.00 -0.34 0.00 0.00 43.02 40.82 1k5g s PHE 4 CO -0.04 -0.05 0.60 0.45 -1.46 0.00 0.00 175.22 174.72 1k5g s SER 5 N -0.05 -0.60 -0.09 6.13 0.15 -1.26 -0.32 113.70 117.66 1k5g s SER 5 Ca -0.03 0.97 0.16 0.00 0.70 0.00 0.00 55.95 57.75 1k5g s SER 5 Cb -0.14 0.95 0.33 0.00 -1.71 0.00 0.00 66.02 65.46 1k5g s SER 5 CO 0.04 -0.35 1.16 2.30 1.20 0.00 0.00 173.24 177.58 1k5g n ILE 6 N 2.05 1.08 -1.61 6.45 -5.35 -0.93 -4.98 119.36 116.07 1k5g n ILE 6 Ca -0.16 -1.83 -0.54 0.00 -0.27 0.00 0.00 62.75 59.95 1k5g n ILE 6 Cb 0.56 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.68 1k5g n ILE 6 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1k5g n GLU 7 N -0.47 1.07 -0.74 6.28 2.13 -1.25 -1.70 120.64 125.96 1k5g n GLU 7 Ca 0.11 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1k5g n GLU 7 Cb 0.83 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1k5g n GLU 7 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k5g n GLY 8 N 2.86 0.21 0.00 8.31 0.00 -0.95 -4.81 105.19 110.80 1k5g n GLY 8 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1k5g n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k5g n LYS 9 N -1.36 0.37 -4.15 1.61 5.02 -0.69 -4.85 118.16 114.11 1k5g n LYS 9 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1k5g n LYS 9 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1k5g n LYS 9 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1k5g n SER 10 N -0.99 -1.83 -4.77 4.39 7.64 -0.52 -4.91 113.62 112.64 1k5g n SER 10 Ca 0.09 -1.25 -0.37 0.00 1.01 0.00 0.00 58.87 58.35 1k5g n SER 10 Cb 0.04 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 61.66 1k5g n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k5g s LEU 11 N -7.33 4.32 -1.26 -3.43 1.43 -1.24 -4.96 118.68 106.21 1k5g s LEU 11 Ca 0.27 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1k5g s LEU 11 Cb -0.15 -2.48 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1k5g s LEU 11 CO 0.95 0.16 1.67 1.17 0.23 0.00 0.00 176.35 180.52 1k5g n LYS 12 N 3.03 3.44 -2.50 1.70 4.81 -1.26 -1.35 118.16 126.03 1k5g n LYS 12 Ca -0.12 -3.63 -0.39 0.00 -0.87 0.00 0.00 58.31 53.30 1k5g n LYS 12 Cb 0.52 -3.04 -0.03 0.00 0.02 0.00 0.00 35.03 32.50 1k5g n LYS 12 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1k5g s LEU 13 N 1.10 3.42 -0.15 3.14 1.43 -0.44 -4.83 118.68 122.36 1k5g s LEU 13 Ca 0.43 -1.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 1k5g s LEU 13 Cb 0.03 -2.57 -0.24 0.00 0.03 0.00 0.00 46.19 43.45 1k5g s LEU 13 CO 0.00 -1.69 0.47 0.44 0.23 0.00 0.00 176.35 175.81 1k5g h ASP 14 N 10.06 0.16 0.00 2.29 3.32 -1.92 0.00 116.42 130.32 1k5g h ASP 14 Ca 0.13 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1k5g h ASP 14 Cb 1.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1k5g h ASP 14 CO 1.39 1.44 -0.61 0.00 -1.72 0.00 0.00 179.24 179.73 1k5g n ALA 15 N -3.06 3.00 -2.18 3.45 0.00 -1.26 -1.86 120.51 118.61 1k5g n ALA 15 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1k5g n ALA 15 Cb 0.73 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.55 1k5g n ALA 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1k5g n ILE 16 N -3.08 -6.26 0.00 0.00 5.41 -1.26 -3.22 119.36 110.96 1k5g n ILE 16 Ca 0.00 0.33 0.00 0.00 1.00 0.00 0.00 62.75 64.08 1k5g n ILE 16 Cb 0.31 -5.53 0.00 0.00 -0.71 0.00 0.00 39.64 33.71 1k5g n ILE 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1k5g n THR 17 N -0.59 0.00 -1.07 1.39 -2.24 -1.26 -4.90 114.28 105.61 1k5g n THR 17 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1k5g n THR 17 Cb 0.28 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.70 1k5g n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1k5g s THR 18 N -0.86 1.98 0.09 4.28 -1.32 -1.26 -4.93 115.64 113.62 1k5g s THR 18 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 1k5g s THR 18 Cb 0.00 -2.43 -0.13 0.00 -1.51 0.00 0.00 72.50 68.43 1k5g s THR 18 CO 0.00 0.00 1.66 -0.08 -2.21 0.00 0.00 174.62 173.99 1k5g h GLU 19 N -2.09 -0.49 0.00 7.08 4.22 -2.00 -3.26 114.58 118.04 1k5g h GLU 19 Ca -0.56 0.03 -0.18 0.00 0.08 0.00 0.00 59.36 58.73 1k5g h GLU 19 Cb 1.33 0.11 0.09 0.00 0.50 0.00 0.00 28.75 30.79 1k5g h GLU 19 CO 0.56 -0.33 0.05 -0.25 -2.18 0.00 0.00 179.01 176.86 1k5g n ASP 20 N -5.35 -1.51 0.00 1.04 9.92 -1.26 -2.65 116.55 116.73 1k5g n ASP 20 Ca -0.09 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1k5g n ASP 20 Cb 0.26 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1k5g n ASP 20 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k5g n GLU 21 N -3.05 0.00 0.08 -1.24 1.02 -1.26 -4.06 120.64 112.14 1k5g n GLU 21 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1k5g n GLU 21 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.66 1k5g n GLU 21 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1k5g h LYS 22 N 0.00 0.22 -0.61 3.49 1.57 -1.59 -3.05 116.57 116.60 1k5g h LYS 22 Ca 0.00 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1k5g h LYS 22 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1k5g h LYS 22 CO 0.00 1.00 0.40 0.66 -0.57 0.00 0.00 179.45 180.94 1k5g h SER 23 N 0.11 0.68 -0.73 0.86 4.64 -1.65 -1.64 113.55 115.83 1k5g h SER 23 Ca -0.06 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1k5g h SER 23 Cb 1.58 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1k5g h SER 23 CO 0.14 0.49 0.41 0.58 -0.87 0.00 0.00 176.83 177.58 1k5g h VAL 24 N 0.80 0.96 -0.91 0.95 2.07 -1.86 -1.16 116.25 117.10 1k5g h VAL 24 Ca 0.23 -0.25 -0.54 0.00 0.82 0.00 0.00 66.70 66.95 1k5g h VAL 24 Cb -0.06 0.15 -0.27 0.00 -1.52 0.00 0.00 31.29 29.59 1k5g h VAL 24 CO -0.05 0.14 0.69 0.49 0.02 0.00 0.00 177.57 178.86 1k5g n PHE 25 N -4.76 2.86 0.23 1.57 3.01 -0.64 -4.51 117.46 115.21 1k5g n PHE 25 Ca 0.10 -2.26 -0.12 0.00 1.01 0.00 0.00 57.45 56.18 1k5g n PHE 25 Cb 0.20 -1.12 -0.06 0.00 -0.01 0.00 0.00 39.48 38.49 1k5g n PHE 25 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1k5g h ALA 26 N 1.48 -0.63 -0.71 4.37 0.00 -0.90 -2.22 119.26 120.65 1k5g h ALA 26 Ca 0.57 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.51 1k5g h ALA 26 Cb 1.81 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1k5g h ALA 26 CO 1.22 -0.62 0.93 0.28 0.00 0.00 0.00 179.25 181.05 1k5g h VAL 27 N -1.08 0.11 0.04 0.00 2.07 -1.80 0.83 116.25 116.41 1k5g h VAL 27 Ca -0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1k5g h VAL 27 Cb 0.55 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1k5g h VAL 27 CO 0.11 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.63 1k5g h LEU 28 N 0.00 0.12 -0.15 2.57 7.12 -1.81 -3.21 115.31 119.95 1k5g h LEU 28 Ca 0.34 -0.96 -0.01 0.00 0.13 0.00 0.00 57.88 57.39 1k5g h LEU 28 Cb 2.19 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 42.28 1k5g h LEU 28 CO -0.00 1.14 0.07 -0.07 -0.13 0.00 0.00 178.44 179.45 1k5g h LEU 29 N -0.83 0.21 0.13 2.25 3.38 0.13 -3.34 115.31 117.23 1k5g h LEU 29 Ca -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1k5g h LEU 29 Cb 1.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1k5g h LEU 29 CO 0.03 0.29 -0.06 1.05 0.09 0.00 0.00 178.44 179.83 1k5g h GLU 30 N 0.11 -0.17 -6.05 1.13 4.11 -1.42 -3.42 114.58 108.86 1k5g h GLU 30 Ca 0.05 0.01 -0.60 0.00 0.07 0.00 0.00 59.36 58.89 1k5g h GLU 30 Cb 0.14 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 1k5g h GLU 30 CO -0.01 0.21 0.54 0.34 0.07 0.00 0.00 179.01 180.16 1k5g s ASP 31 N -5.40 6.54 0.03 3.06 -1.08 -1.21 -4.89 116.67 113.71 1k5g s ASP 31 Ca -0.15 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 1k5g s ASP 31 Cb 0.02 -2.44 0.30 0.00 -1.46 0.00 0.00 42.92 39.34 1k5g s ASP 31 CO 0.60 -0.95 1.26 0.47 0.52 0.00 0.00 175.17 177.08 1k5g n ASP 32 N 6.92 0.61 -2.47 -0.34 8.00 -1.26 -4.29 116.55 123.72 1k5g n ASP 32 Ca 0.06 -0.27 -0.28 0.00 0.71 0.00 0.00 54.79 55.01 1k5g n ASP 32 Cb 0.48 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 1k5g n ASP 32 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1k5g n SER 33 N -1.69 6.66 -4.83 -2.24 2.88 -1.26 -4.34 113.62 108.81 1k5g n SER 33 Ca 0.04 -3.30 -0.38 0.00 -1.33 0.00 0.00 58.87 53.91 1k5g n SER 33 Cb 0.37 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 1k5g n SER 33 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1k5g s VAL 34 N -2.73 4.89 -0.16 2.46 1.01 -1.26 -4.62 120.40 119.99 1k5g s VAL 34 Ca 0.55 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.61 1k5g s VAL 34 Cb 0.38 -3.79 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 1k5g s VAL 34 CO -0.22 0.53 -0.02 0.29 0.00 0.00 0.00 175.10 175.69 1k5g n LYS 35 N 1.67 1.25 -4.40 2.72 5.02 0.22 -2.13 118.16 122.50 1k5g n LYS 35 Ca -0.12 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 1k5g n LYS 35 Cb 0.52 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1k5g n LYS 35 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1k5g s GLU 36 N -2.35 1.29 -0.10 1.97 2.12 -0.99 0.17 118.70 120.81 1k5g s GLU 36 Ca -0.13 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 54.95 1k5g s GLU 36 Cb 0.05 -1.14 -0.00 0.00 0.26 0.00 0.00 34.13 33.30 1k5g s GLU 36 CO 0.53 -0.01 -0.21 0.42 -0.54 0.00 0.00 175.26 175.45 1k5g s ILE 37 N 0.74 2.30 -0.13 -3.70 1.01 -0.59 -1.14 121.20 119.70 1k5g s ILE 37 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1k5g s ILE 37 Cb -0.15 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1k5g s ILE 37 CO 0.02 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.65 1k5g s VAL 38 N 0.31 1.71 -0.23 2.92 1.01 0.56 -0.96 120.40 125.72 1k5g s VAL 38 Ca -0.16 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1k5g s VAL 38 Cb -0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1k5g s VAL 38 CO 0.08 0.48 0.24 0.18 0.00 0.00 0.00 175.10 176.08 1k5g n LEU 39 N 4.26 0.38 -4.18 3.92 4.77 -0.49 -2.19 117.00 123.48 1k5g n LEU 39 Ca -0.19 -0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 54.81 1k5g n LEU 39 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1k5g n LEU 39 CO 0.25 0.09 -0.57 -1.20 -1.33 0.00 0.00 177.39 174.62 1k5g n SER 40 N -0.85 -3.35 -0.43 -1.43 7.64 -1.24 -3.63 113.62 110.33 1k5g n SER 40 Ca 0.01 0.69 -0.03 0.00 1.01 0.00 0.00 58.87 60.55 1k5g n SER 40 Cb 0.06 -0.84 -0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1k5g n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k5g n GLY 41 N 2.40 0.25 3.38 0.23 0.00 -0.12 -2.25 105.19 109.09 1k5g n GLY 41 Ca 0.09 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1k5g n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5g s ASN 42 N -2.85 0.01 -0.33 1.61 0.01 -1.24 -1.43 114.94 110.72 1k5g s ASN 42 Ca 0.00 -0.90 -0.03 0.00 -0.71 0.00 0.00 52.86 51.22 1k5g s ASN 42 Cb -0.00 0.46 0.06 0.00 0.41 0.00 0.00 41.25 42.18 1k5g s ASN 42 CO 0.01 -0.94 0.06 0.42 -1.51 0.00 0.00 177.10 175.14 1k5g s THR 43 N -3.99 3.28 -0.28 1.60 -4.23 -0.45 -3.57 115.64 108.00 1k5g s THR 43 Ca 0.19 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1k5g s THR 43 Cb 0.03 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 1k5g s THR 43 CO 0.02 -0.22 0.38 -0.63 -0.54 0.00 0.00 174.62 173.63 1k5g s ILE 44 N 1.28 5.17 0.81 2.99 1.01 -0.13 -1.32 121.20 131.00 1k5g s ILE 44 Ca -0.02 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1k5g s ILE 44 Cb -0.20 -3.73 0.10 0.00 0.01 0.00 0.00 42.46 38.64 1k5g s ILE 44 CO -0.00 0.11 1.17 -0.83 0.00 0.00 0.00 174.94 175.38 1k5g s GLY 45 N 1.66 1.64 0.14 6.18 0.00 -0.01 -4.82 107.32 112.11 1k5g s GLY 45 Ca 0.15 -0.81 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 1k5g s GLY 45 CO 0.10 -0.29 1.73 -0.91 0.00 0.00 0.00 173.10 173.73 1k5g h THR 46 N -1.05 1.17 -0.10 0.90 1.35 -1.81 0.21 112.91 113.58 1k5g h THR 46 Ca -0.45 -0.48 0.04 0.00 -0.55 0.00 0.00 66.41 64.97 1k5g h THR 46 Cb 1.31 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 1k5g h THR 46 CO 0.60 0.18 -0.19 -0.33 -0.25 0.00 0.00 175.52 175.53 1k5g h GLU 47 N 0.53 -0.25 -0.25 4.72 4.39 -1.90 0.49 114.58 122.32 1k5g h GLU 47 Ca 0.14 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1k5g h GLU 47 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1k5g h GLU 47 CO -0.02 -0.17 -0.06 0.00 -1.16 0.00 0.00 179.01 177.60 1k5g h ALA 48 N 0.73 1.44 -0.88 3.43 0.00 -1.24 -1.04 119.26 121.69 1k5g h ALA 48 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k5g h ALA 48 Cb 0.39 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1k5g h ALA 48 CO -0.25 0.39 0.57 0.00 0.00 0.00 0.00 179.25 179.96 1k5g h ALA 49 N 1.57 1.12 0.36 0.00 0.00 0.19 0.42 119.26 122.92 1k5g h ALA 49 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k5g h ALA 49 Cb 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k5g h ALA 49 CO 0.02 0.54 -0.18 -0.09 0.00 0.00 0.00 179.25 179.55 1k5g h ARG 50 N 1.20 -0.47 -0.18 0.00 2.43 0.11 -0.34 114.38 117.14 1k5g h ARG 50 Ca 0.32 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1k5g h ARG 50 Cb -0.11 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1k5g h ARG 50 CO -0.07 -0.31 0.12 2.35 -1.51 0.00 0.00 179.97 180.55 1k5g h TRP 51 N -0.50 0.20 0.00 2.20 7.01 -0.95 -1.07 115.95 122.84 1k5g h TRP 51 Ca -0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1k5g h TRP 51 Cb 0.38 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1k5g h TRP 51 CO -0.05 0.12 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.49 1k5g h LEU 52 N 0.21 0.00 -0.03 0.65 3.38 -0.51 -3.07 115.31 115.94 1k5g h LEU 52 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1k5g h LEU 52 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1k5g h LEU 52 CO -0.01 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.75 1k5g h SER 53 N 0.00 0.10 -0.70 -0.43 0.02 0.26 -2.62 113.55 110.18 1k5g h SER 53 Ca 0.00 -0.52 0.06 0.00 -0.84 0.00 0.00 61.79 60.48 1k5g h SER 53 Cb 0.97 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 1k5g h SER 53 CO 0.00 0.60 0.40 -0.33 -1.14 0.00 0.00 176.83 176.36 1k5g h GLU 54 N -0.40 0.72 -0.07 3.45 5.08 -1.55 -1.76 114.58 120.05 1k5g h GLU 54 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1k5g h GLU 54 Cb 0.58 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k5g h GLU 54 CO 0.01 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 1k5g n ASN 55 N -4.75 0.42 -0.05 1.42 3.02 -1.16 -3.66 115.26 110.51 1k5g n ASN 55 Ca 0.09 -1.86 -0.06 0.00 -0.03 0.00 0.00 54.58 52.71 1k5g n ASN 55 Cb 0.17 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1k5g n ASN 55 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k5g n ILE 56 N -0.33 0.62 -0.19 2.41 5.41 -0.70 -4.52 119.36 122.06 1k5g n ILE 56 Ca 0.06 -0.30 0.07 0.00 1.00 0.00 0.00 62.75 63.57 1k5g n ILE 56 Cb 0.08 -0.84 0.35 0.00 -0.71 0.00 0.00 39.64 38.53 1k5g n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k5g h ALA 57 N 0.20 1.71 -0.15 -1.39 0.00 -1.52 -0.97 119.26 117.14 1k5g h ALA 57 Ca -0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1k5g h ALA 57 Cb 1.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1k5g h ALA 57 CO -0.01 0.16 -0.02 0.66 0.00 0.00 0.00 179.25 180.03 1k5g h SER 58 N 0.75 0.20 -0.72 0.00 4.64 -1.80 -3.35 113.55 113.27 1k5g h SER 58 Ca 0.32 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 61.10 1k5g h SER 58 Cb 0.29 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1k5g h SER 58 CO -0.11 0.27 1.64 -0.54 -0.87 0.00 0.00 176.83 177.22 1k5g s LYS 59 N -4.95 3.31 0.26 4.77 -0.14 -0.37 -4.74 119.74 117.88 1k5g s LYS 59 Ca -0.06 -1.52 0.25 0.00 -1.36 0.00 0.00 55.97 53.28 1k5g s LYS 59 Cb 0.16 -5.39 0.94 0.00 -1.68 0.00 0.00 37.83 31.87 1k5g s LYS 59 CO 0.71 -2.98 1.74 1.63 -0.76 0.00 0.00 175.35 175.70 1k5g n LYS 60 N 8.42 0.23 -0.27 1.68 4.76 -1.26 -2.74 118.16 128.98 1k5g n LYS 60 Ca 0.46 0.37 0.09 0.00 -2.87 0.00 0.00 58.31 56.36 1k5g n LYS 60 Cb 0.47 -1.87 0.25 0.00 -1.84 0.00 0.00 35.03 32.03 1k5g n LYS 60 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1k5g n ASP 61 N -2.29 2.94 -4.70 4.39 8.00 -1.26 -4.27 116.55 119.35 1k5g n ASP 61 Ca 0.03 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 1k5g n ASP 61 Cb 0.29 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1k5g n ASP 61 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1k5g n LEU 62 N 1.11 3.61 0.00 0.64 7.94 -0.91 -4.30 117.00 125.10 1k5g n LEU 62 Ca 0.18 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 1k5g n LEU 62 Cb 0.47 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1k5g n LEU 62 CO 0.13 -0.23 -0.45 -0.62 -1.11 0.00 0.00 177.39 175.11 1k5g n GLU 63 N 2.11 3.05 -4.39 1.96 1.02 0.46 -1.96 120.64 122.89 1k5g n GLU 63 Ca 0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 1k5g n GLU 63 Cb 0.34 -0.95 -0.15 0.00 -0.02 0.00 0.00 31.44 30.65 1k5g n GLU 63 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k5g s ILE 64 N -1.89 0.78 -0.30 -3.67 1.01 0.57 -2.30 121.20 115.39 1k5g s ILE 64 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1k5g s ILE 64 Cb 0.00 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 41.86 1k5g s ILE 64 CO 0.00 0.24 0.02 0.00 0.00 0.00 0.00 174.94 175.21 1k5g s ALA 65 N 0.19 2.26 -0.82 9.38 0.00 -0.47 -1.54 121.76 130.76 1k5g s ALA 65 Ca -0.03 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.82 1k5g s ALA 65 Cb -0.08 -1.70 0.15 0.00 0.00 0.00 0.00 23.12 21.48 1k5g s ALA 65 CO 0.00 -1.51 0.94 -2.00 0.00 0.00 0.00 175.76 173.20 1k5g s GLU 66 N 1.24 3.47 -0.12 0.00 -6.30 -0.14 -0.41 118.70 116.44 1k5g s GLU 66 Ca 0.05 -1.81 0.15 0.00 -2.50 0.00 0.00 54.97 50.86 1k5g s GLU 66 Cb -0.19 -4.62 0.52 0.00 0.00 0.00 0.00 34.13 29.84 1k5g s GLU 66 CO -0.12 -1.61 1.44 1.19 0.02 0.00 0.00 175.26 176.19 1k5g n PHE 67 N 5.90 0.99 -1.92 5.30 0.99 0.73 -1.40 117.46 128.06 1k5g n PHE 67 Ca 0.13 -0.71 -0.38 0.00 -0.00 0.00 0.00 57.45 56.49 1k5g n PHE 67 Cb 0.47 -0.23 0.02 0.00 -1.00 0.00 0.00 39.48 38.74 1k5g n PHE 67 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1k5g s SER 68 N -1.40 5.57 -0.31 4.37 0.01 -0.91 -4.05 113.70 116.99 1k5g s SER 68 Ca 0.39 2.65 -0.19 0.00 1.31 0.00 0.00 55.95 60.11 1k5g s SER 68 Cb 0.28 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.91 1k5g s SER 68 CO 0.14 -1.35 0.38 -0.67 0.41 0.00 0.00 173.24 172.15 1k5g n ASP 69 N -0.80 -6.63 0.00 2.44 2.03 0.36 -3.73 116.55 110.22 1k5g n ASP 69 Ca 0.09 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1k5g n ASP 69 Cb 0.46 -2.89 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 1k5g n ASP 69 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1k5g n ILE 70 N 0.31 0.00 -0.30 5.18 -5.35 -1.25 -0.94 119.36 117.00 1k5g n ILE 70 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1k5g n ILE 70 Cb 0.50 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 1k5g n ILE 70 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1k5g n PHE 71 N 0.00 0.00 -1.28 4.28 0.99 -1.23 -0.96 117.46 119.25 1k5g n PHE 71 Ca 0.00 -0.05 -0.50 0.00 -0.00 0.00 0.00 57.45 56.90 1k5g n PHE 71 Cb 0.36 -0.01 -0.13 0.00 -1.00 0.00 0.00 39.48 38.71 1k5g n PHE 71 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1k5g n THR 72 N -0.05 0.00 0.00 4.37 -2.24 -1.26 -0.17 114.28 114.93 1k5g n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k5g n THR 72 Cb 0.11 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1k5g n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5g n GLY 73 N 6.76 1.80 3.75 3.38 0.00 -1.26 -4.76 105.19 114.86 1k5g n GLY 73 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 1k5g n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k5g s ARG 74 N -0.15 4.50 0.64 1.61 1.81 0.76 -5.07 118.95 123.05 1k5g s ARG 74 Ca 0.00 1.07 -0.04 0.00 -1.72 0.00 0.00 55.73 55.04 1k5g s ARG 74 Cb 0.00 -3.35 0.05 0.00 -0.45 0.00 0.00 34.95 31.19 1k5g s ARG 74 CO 0.00 0.31 0.92 0.14 -0.68 0.00 0.00 175.30 175.99 1k5g s VAL 75 N -0.15 2.57 0.56 3.52 -7.23 -1.26 -4.82 120.40 113.59 1k5g s VAL 75 Ca 0.38 -0.37 0.28 0.00 -1.81 0.00 0.00 61.98 60.47 1k5g s VAL 75 Cb -0.21 -3.06 0.40 0.00 0.56 0.00 0.00 36.38 34.08 1k5g s VAL 75 CO 0.23 -0.06 1.95 0.07 -0.31 0.00 0.00 175.10 176.99 1k5g h LYS 76 N -0.33 0.00 -0.15 4.82 2.10 -1.97 0.89 116.57 121.93 1k5g h LYS 76 Ca -0.44 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.26 1k5g h LYS 76 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 1k5g h LYS 76 CO 0.58 0.00 0.12 0.22 -2.00 0.00 0.00 179.45 178.37 1k5g h ASP 77 N 0.00 0.00 0.00 7.07 -0.00 -1.98 -3.37 116.42 118.14 1k5g h ASP 77 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 1k5g h ASP 77 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.47 1k5g h ASP 77 CO -0.00 0.00 -0.53 -1.84 -0.00 0.00 0.00 179.24 176.87 1k5g n GLU 78 N -4.28 2.83 0.24 0.28 0.28 0.27 -4.88 120.64 115.39 1k5g n GLU 78 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.86 1k5g n GLU 78 Cb 0.25 -0.76 -0.08 0.00 1.43 0.00 0.00 31.44 32.27 1k5g n GLU 78 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1k5g h ILE 79 N 0.00 0.54 -0.84 3.84 2.04 -1.62 -2.71 117.51 118.76 1k5g h ILE 79 Ca 0.00 -0.27 0.21 0.00 1.00 0.00 0.00 64.86 65.80 1k5g h ILE 79 Cb 0.00 0.67 -0.14 0.00 -0.74 0.00 0.00 36.82 36.61 1k5g h ILE 79 CO 0.00 0.05 0.19 -0.65 0.00 0.00 0.00 178.15 177.74 1k5g h PRO 80 N -0.76 0.20 0.74 2.37 0.11 -1.84 0.60 132.00 133.42 1k5g h PRO 80 Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1k5g h PRO 80 Cb 0.54 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.61 1k5g h PRO 80 CO 0.10 0.13 -0.36 1.49 -0.21 0.00 0.00 178.00 179.16 1k5g h GLU 81 N 0.21 -0.96 -0.55 1.05 4.22 -1.89 -0.87 114.58 115.78 1k5g h GLU 81 Ca 0.51 0.07 0.11 0.00 0.08 0.00 0.00 59.36 60.13 1k5g h GLU 81 Cb 0.99 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1k5g h GLU 81 CO -0.64 -0.64 -0.07 0.00 -2.18 0.00 0.00 179.01 175.48 1k5g h ALA 82 N -1.50 0.45 -0.64 2.92 0.00 -0.96 -0.14 119.26 119.40 1k5g h ALA 82 Ca -0.10 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1k5g h ALA 82 Cb 0.76 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1k5g h ALA 82 CO 0.17 -0.42 0.35 1.25 0.00 0.00 0.00 179.25 180.60 1k5g h LEU 83 N 0.05 0.51 0.18 0.00 5.85 0.23 -2.07 115.31 120.06 1k5g h LEU 83 Ca 0.28 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1k5g h LEU 83 Cb 0.43 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1k5g h LEU 83 CO -0.52 0.33 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.48 1k5g h ARG 84 N 0.64 -0.58 -0.23 1.25 1.12 0.42 -0.04 114.38 116.96 1k5g h ARG 84 Ca 0.28 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.25 1k5g h ARG 84 Cb 0.18 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.20 1k5g h ARG 84 CO -0.18 -0.39 -0.23 -0.07 -3.11 0.00 0.00 179.97 175.99 1k5g h LEU 85 N -0.60 -0.75 0.58 3.80 3.38 -0.80 0.23 115.31 121.15 1k5g h LEU 85 Ca 0.02 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1k5g h LEU 85 Cb 0.61 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1k5g h LEU 85 CO -0.16 -0.27 -0.35 -0.07 0.09 0.00 0.00 178.44 177.67 1k5g h LEU 86 N -0.25 -0.89 -2.08 1.67 3.38 -1.12 -1.46 115.31 114.56 1k5g h LEU 86 Ca 0.13 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1k5g h LEU 86 Cb 0.45 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1k5g h LEU 86 CO -0.37 -0.55 0.34 -0.07 0.09 0.00 0.00 178.44 177.87 1k5g h LEU 87 N -0.88 0.00 -0.31 1.67 3.38 -0.71 0.14 115.31 118.60 1k5g h LEU 87 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1k5g h LEU 87 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1k5g h LEU 87 CO 0.07 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.98 1k5g h GLN 88 N 0.00 0.55 0.45 1.13 4.15 0.47 -2.63 115.11 119.23 1k5g h GLN 88 Ca 0.16 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1k5g h GLN 88 Cb 0.83 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1k5g h GLN 88 CO -0.00 0.70 -0.22 0.00 -1.93 0.00 0.00 178.83 177.38 1k5g h ALA 89 N 0.83 -0.61 -0.99 3.38 0.00 -0.05 -3.16 119.26 118.66 1k5g h ALA 89 Ca 0.09 -0.18 0.37 0.00 0.00 0.00 0.00 54.91 55.18 1k5g h ALA 89 Cb 0.46 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1k5g h ALA 89 CO 0.02 -0.64 0.42 -0.07 0.00 0.00 0.00 179.25 178.98 1k5g h LEU 90 N -1.01 0.17 -1.85 0.00 3.38 -1.23 1.20 115.31 115.96 1k5g h LEU 90 Ca -0.06 0.25 0.20 0.00 0.09 0.00 0.00 57.88 58.36 1k5g h LEU 90 Cb 0.57 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1k5g h LEU 90 CO 0.10 -0.37 0.65 -0.07 0.09 0.00 0.00 178.44 178.84 1k5g h LEU 91 N 0.06 0.00 -3.39 1.67 3.38 -1.43 -0.59 115.31 115.00 1k5g h LEU 91 Ca 0.77 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.38 1k5g h LEU 91 Cb 1.90 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 42.44 1k5g h LEU 91 CO -0.77 0.00 0.46 0.29 0.09 0.00 0.00 178.44 178.51 1k5g n LYS 92 N -3.79 1.87 -3.94 1.13 5.02 0.41 -4.78 118.16 114.09 1k5g n LYS 92 Ca 0.14 -2.09 -0.30 0.00 -2.02 0.00 0.00 58.31 54.04 1k5g n LYS 92 Cb 0.90 -1.82 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 1k5g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k5g h PRO 94 N 7.33 0.21 -0.27 0.00 0.11 -1.86 -2.55 132.00 134.97 1k5g h PRO 94 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1k5g h PRO 94 Cb 0.98 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1k5g h PRO 94 CO 0.55 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 180.11 1k5g n LYS 95 N -4.46 2.18 -1.99 1.05 5.02 -1.26 -4.77 118.16 113.93 1k5g n LYS 95 Ca 0.26 -2.02 -0.39 0.00 -2.02 0.00 0.00 58.31 54.15 1k5g n LYS 95 Cb 1.06 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 1k5g n LYS 95 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k5g s LEU 96 N -1.41 3.34 -0.07 -0.35 2.96 -0.83 -4.40 118.68 117.92 1k5g s LEU 96 Ca 0.31 0.55 0.21 0.00 -0.22 0.00 0.00 54.13 54.98 1k5g s LEU 96 Cb 0.19 -2.68 -0.31 0.00 0.50 0.00 0.00 46.19 43.88 1k5g s LEU 96 CO 0.26 -2.32 0.38 0.00 -1.32 0.00 0.00 176.35 173.36 1k5g n HIS 97 N 12.64 0.01 -4.01 5.38 1.44 -1.00 -3.44 115.22 126.24 1k5g n HIS 97 Ca 0.22 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.64 1k5g n HIS 97 Cb 0.51 -0.63 -0.17 0.00 0.12 0.00 0.00 29.99 29.83 1k5g n HIS 97 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1k5g s THR 98 N -3.25 1.49 -0.05 0.61 2.01 -0.97 0.15 115.64 115.63 1k5g s THR 98 Ca -0.08 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1k5g s THR 98 Cb 0.12 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1k5g s THR 98 CO 0.89 0.45 -0.09 0.54 -0.69 0.00 0.00 174.62 175.72 1k5g s VAL 99 N 1.51 0.86 -0.16 3.82 0.11 -0.85 -1.37 120.40 124.31 1k5g s VAL 99 Ca 0.05 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1k5g s VAL 99 Cb -0.13 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1k5g s VAL 99 CO -0.10 0.29 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.63 1k5g s ARG 100 N 0.64 2.88 -0.08 1.54 0.52 0.46 -2.03 118.95 122.87 1k5g s ARG 100 Ca -0.11 -0.79 0.12 0.00 -0.52 0.00 0.00 55.73 54.43 1k5g s ARG 100 Cb -0.14 -2.45 0.18 0.00 0.52 0.00 0.00 34.95 33.06 1k5g s ARG 100 CO 0.02 -0.16 1.09 1.28 0.02 0.00 0.00 175.30 177.54 1k5g n LEU 101 N 4.49 2.11 -4.66 2.53 4.77 0.14 -0.19 117.00 126.18 1k5g n LEU 101 Ca -0.20 -2.62 -0.30 0.00 -0.03 0.00 0.00 56.01 52.86 1k5g n LEU 101 Cb 0.50 -0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.48 1k5g n LEU 101 CO 0.26 0.61 0.65 -0.44 -1.33 0.00 0.00 177.39 177.14 1k5g s SER 102 N -2.18 2.93 -1.26 -1.43 0.01 -1.07 -4.12 113.70 106.59 1k5g s SER 102 Ca 0.20 1.88 -0.08 0.00 1.31 0.00 0.00 55.95 59.27 1k5g s SER 102 Cb 0.18 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1k5g s SER 102 CO 0.02 -3.04 1.02 0.47 0.41 0.00 0.00 173.24 172.11 1k5g n ASP 103 N -4.18 -5.98 -3.92 2.44 8.00 -0.13 -0.48 116.55 112.30 1k5g n ASP 103 Ca 0.09 -0.46 -0.17 0.00 0.71 0.00 0.00 54.79 54.96 1k5g n ASP 103 Cb 0.53 -4.62 -0.15 0.00 -0.02 0.00 0.00 41.12 36.86 1k5g n ASP 103 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1k5g s ASN 104 N -3.22 0.63 -0.41 -2.24 0.01 -1.18 -3.55 114.94 104.98 1k5g s ASN 104 Ca 0.50 -0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 52.29 1k5g s ASN 104 Cb -0.22 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.24 1k5g s ASN 104 CO 0.62 0.01 1.80 0.00 -1.51 0.00 0.00 177.10 178.02 1k5g s ALA 105 N 0.33 2.68 0.00 0.60 0.00 -1.26 -4.26 121.76 119.85 1k5g s ALA 105 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1k5g s ALA 105 Cb -0.07 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1k5g s ALA 105 CO -0.00 -2.97 0.00 1.19 0.00 0.00 0.00 175.76 173.98 1k5g n PHE 106 N 10.92 0.00 -1.83 0.00 3.72 -0.61 -4.96 117.46 124.70 1k5g n PHE 106 Ca 0.22 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.67 1k5g n PHE 106 Cb 0.48 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1k5g n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k5g n GLY 107 N 3.59 -0.72 0.31 1.37 0.00 -0.91 -3.03 105.19 105.80 1k5g n GLY 107 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 1k5g n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5g h PRO 108 N 0.00 -0.05 0.00 1.61 0.11 -1.79 -1.71 132.00 130.17 1k5g h PRO 108 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1k5g h PRO 108 Cb 0.31 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1k5g h PRO 108 CO 0.00 -0.03 0.02 -2.37 -0.21 0.00 0.00 178.00 175.41 1k5g n THR 109 N -5.48 0.09 -2.13 -1.15 5.66 -1.24 -1.10 114.28 108.94 1k5g n THR 109 Ca 0.08 0.04 -0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1k5g n THR 109 Cb 0.38 -1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 68.10 1k5g n THR 109 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k5g n ALA 110 N -0.82 2.46 0.24 1.79 0.00 -0.65 -4.71 120.51 118.82 1k5g n ALA 110 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 53.44 52.55 1k5g n ALA 110 Cb 0.02 -0.40 0.44 0.00 0.00 0.00 0.00 19.45 19.50 1k5g n ALA 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1k5g h GLN 111 N 0.25 0.00 0.26 0.00 3.07 -1.07 -3.36 115.11 114.25 1k5g h GLN 111 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 1k5g h GLN 111 Cb 1.43 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.96 1k5g h GLN 111 CO -0.03 0.04 -0.46 0.93 0.09 0.00 0.00 178.83 179.39 1k5g h GLU 112 N 0.00 -0.74 -0.73 0.06 4.39 -1.91 0.29 114.58 115.94 1k5g h GLU 112 Ca -0.00 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.82 1k5g h GLU 112 Cb 0.76 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1k5g h GLU 112 CO 0.01 -0.49 0.41 -1.35 -1.16 0.00 0.00 179.01 176.42 1k5g h PRO 113 N -0.77 0.71 0.31 2.33 0.11 -1.90 -0.29 132.00 132.50 1k5g h PRO 113 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1k5g h PRO 113 Cb 0.72 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1k5g h PRO 113 CO -0.17 0.47 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.83 1k5g h LEU 114 N 0.73 -0.46 -1.02 2.35 4.07 -1.65 -0.71 115.31 118.62 1k5g h LEU 114 Ca 0.34 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.40 1k5g h LEU 114 Cb 0.25 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 1k5g h LEU 114 CO -0.21 -0.30 0.64 0.40 -1.08 0.00 0.00 178.44 177.90 1k5g h ILE 115 N -0.47 1.04 0.00 1.22 2.04 -0.02 0.55 117.51 121.87 1k5g h ILE 115 Ca -0.03 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1k5g h ILE 115 Cb 0.39 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1k5g h ILE 115 CO 0.04 0.21 0.00 -0.67 0.00 0.00 0.00 178.15 177.72 1k5g n ASP 116 N -4.53 0.00 -0.23 1.72 4.64 -0.16 -3.38 116.55 114.61 1k5g n ASP 116 Ca 0.16 0.32 -0.06 0.00 -1.38 0.00 0.00 54.79 53.84 1k5g n ASP 116 Cb 0.23 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.25 1k5g n ASP 116 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 1k5g n PHE 117 N -0.42 -0.24 -0.22 -0.67 7.35 -0.30 -0.79 117.46 122.17 1k5g n PHE 117 Ca 0.00 0.68 0.20 0.00 -0.76 0.00 0.00 57.45 57.57 1k5g n PHE 117 Cb 0.00 -0.51 0.54 0.00 0.35 0.00 0.00 39.48 39.86 1k5g n PHE 117 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1k5g h LEU 118 N 0.00 0.34 -0.31 -2.13 3.38 -1.04 0.70 115.31 116.26 1k5g h LEU 118 Ca 0.09 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1k5g h LEU 118 Cb 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1k5g h LEU 118 CO -0.51 0.14 -0.80 0.77 0.09 0.00 0.00 178.44 178.12 1k5g h SER 119 N 0.34 0.00 0.01 -0.43 4.64 -0.97 -3.39 113.55 113.75 1k5g h SER 119 Ca 0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.48 1k5g h SER 119 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1k5g h SER 119 CO -0.14 0.80 -1.57 0.29 -0.87 0.00 0.00 176.83 175.34 1k5g n LYS 120 N -3.51 0.58 -1.39 4.77 5.02 0.10 -2.90 118.16 120.84 1k5g n LYS 120 Ca -0.00 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.68 1k5g n LYS 120 Cb 0.79 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1k5g n LYS 120 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1k5g n HIS 121 N -4.33 0.60 0.27 2.13 -0.00 -0.41 -4.76 115.22 108.73 1k5g n HIS 121 Ca -0.37 -0.10 0.12 0.00 0.46 0.00 0.00 57.72 57.83 1k5g n HIS 121 Cb 0.75 -1.88 0.77 0.00 -0.12 0.00 0.00 29.99 29.50 1k5g n HIS 121 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1k5g h THR 122 N 6.86 0.73 0.00 3.57 1.35 -1.90 -2.49 112.91 121.04 1k5g h THR 122 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1k5g h THR 122 Cb 1.00 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1k5g h THR 122 CO 1.02 0.04 0.00 -0.65 -0.25 0.00 0.00 175.52 175.68 1k5g h PRO 123 N 0.00 0.00 -6.34 4.72 0.11 -1.86 -3.43 132.00 125.20 1k5g h PRO 123 Ca -0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 1k5g h PRO 123 Cb 0.09 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.24 1k5g h PRO 123 CO 0.01 0.00 0.76 -0.11 -0.21 0.00 0.00 178.00 178.45 1k5g n LEU 124 N -2.91 2.62 0.00 2.35 7.94 -0.94 -4.12 117.00 121.94 1k5g n LEU 124 Ca -0.01 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1k5g n LEU 124 Cb 0.19 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1k5g n LEU 124 CO 0.22 -0.50 -0.42 -0.62 -1.11 0.00 0.00 177.39 174.96 1k5g n GLU 125 N 4.00 1.74 -3.90 1.96 1.02 0.38 -4.38 120.64 121.45 1k5g n GLU 125 Ca 0.20 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.05 1k5g n GLU 125 Cb 0.24 -0.92 -0.16 0.00 -0.02 0.00 0.00 31.44 30.57 1k5g n GLU 125 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1k5g s HIS 126 N -1.85 1.95 -0.24 -0.32 3.76 0.69 0.45 115.29 119.74 1k5g s HIS 126 Ca 0.00 -1.36 -0.06 0.00 -0.15 0.00 0.00 55.06 53.49 1k5g s HIS 126 Cb 0.00 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 1k5g s HIS 126 CO 0.00 -0.69 0.02 -1.17 -0.85 0.00 0.00 174.74 172.05 1k5g s LEU 127 N 1.55 3.21 -0.71 0.89 2.96 0.10 -2.00 118.68 124.69 1k5g s LEU 127 Ca -0.02 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1k5g s LEU 127 Cb -0.17 -1.85 0.18 0.00 0.50 0.00 0.00 46.19 44.85 1k5g s LEU 127 CO -0.07 -0.03 0.54 -0.31 -1.32 0.00 0.00 176.35 175.17 1k5g s TYR 128 N 1.54 3.54 -0.83 5.38 1.51 -0.86 -1.06 117.35 126.57 1k5g s TYR 128 Ca 0.06 -2.75 0.01 0.00 -1.01 0.00 0.00 57.07 53.38 1k5g s TYR 128 Cb -0.15 -3.24 0.21 0.00 -0.11 0.00 0.00 41.96 38.66 1k5g s TYR 128 CO 0.01 -0.82 0.70 -0.11 -1.11 0.00 0.00 175.55 174.21 1k5g n LEU 129 N 3.21 3.82 -4.28 -1.29 7.94 -0.18 -0.69 117.00 125.54 1k5g n LEU 129 Ca 0.12 -5.18 -0.32 0.00 -1.11 0.00 0.00 56.01 49.52 1k5g n LEU 129 Cb 0.38 -0.96 -0.16 0.00 0.53 0.00 0.00 43.42 43.21 1k5g n LEU 129 CO 0.34 1.66 -0.54 -2.28 -1.11 0.00 0.00 177.39 175.45 1k5g s HIS 130 N -1.50 2.53 -0.67 1.96 2.46 -1.19 -3.64 115.29 115.24 1k5g s HIS 130 Ca 0.27 -0.75 -0.06 0.00 0.47 0.00 0.00 55.06 54.99 1k5g s HIS 130 Cb -0.05 -1.65 0.01 0.00 -0.13 0.00 0.00 32.58 30.76 1k5g s HIS 130 CO -0.13 -0.24 0.66 -1.71 -2.47 0.00 0.00 174.74 170.85 1k5g n ASN 131 N 3.10 -7.21 0.00 9.88 4.05 0.22 -0.96 115.26 124.34 1k5g n ASN 131 Ca -0.18 -0.09 0.00 0.00 0.45 0.00 0.00 54.58 54.77 1k5g n ASN 131 Cb 0.52 -4.50 0.00 0.00 1.23 0.00 0.00 39.78 37.03 1k5g n ASN 131 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1k5g n ASN 132 N -1.48 0.09 -3.44 1.20 4.13 -1.25 -1.95 115.26 112.57 1k5g n ASN 132 Ca -0.03 -0.37 -0.20 0.00 1.68 0.00 0.00 54.58 55.65 1k5g n ASN 132 Cb 0.54 0.31 0.08 0.00 -1.54 0.00 0.00 39.78 39.17 1k5g n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k5g n GLY 133 N 0.31 -0.43 0.17 7.41 0.00 -1.24 -1.57 105.19 109.84 1k5g n GLY 133 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1k5g n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k5g h LEU 134 N -2.28 -0.39 0.00 0.99 3.38 -1.86 -2.80 115.31 112.35 1k5g h LEU 134 Ca -0.56 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1k5g h LEU 134 Cb 1.35 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1k5g h LEU 134 CO 0.52 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1k5g n GLY 135 N -1.27 -0.26 0.35 0.83 0.00 0.75 -3.60 105.19 101.99 1k5g n GLY 135 Ca -0.03 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.53 1k5g n GLY 135 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5g h PRO 136 N 0.00 0.74 0.04 1.61 0.11 -1.62 0.71 132.00 133.59 1k5g h PRO 136 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1k5g h PRO 136 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1k5g h PRO 136 CO 0.00 0.49 -0.02 1.96 -0.21 0.00 0.00 178.00 180.22 1k5g h GLN 137 N 0.77 -0.06 -0.97 1.05 7.50 -1.89 -2.62 115.11 118.90 1k5g h GLN 137 Ca 0.56 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.77 1k5g h GLN 137 Cb 0.84 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.33 1k5g h GLN 137 CO -0.37 -0.04 0.63 0.00 -1.50 0.00 0.00 178.83 177.55 1k5g h ALA 138 N -1.96 1.41 -0.66 3.87 0.00 -1.66 -1.72 119.26 118.53 1k5g h ALA 138 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1k5g h ALA 138 Cb 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 17.79 17.41 1k5g h ALA 138 CO 0.01 0.47 0.09 0.78 0.00 0.00 0.00 179.25 180.59 1k5g h GLY 139 N 1.17 0.82 0.79 0.00 0.00 0.37 0.18 103.07 106.40 1k5g h GLY 139 Ca 0.40 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1k5g h GLY 139 CO -0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 176.54 176.14 1k5g h ALA 140 N 1.57 -0.04 -0.32 3.60 0.00 -0.91 0.14 119.26 123.30 1k5g h ALA 140 Ca 0.36 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1k5g h ALA 140 Cb 0.59 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1k5g h ALA 140 CO -0.51 -0.55 0.10 0.87 0.00 0.00 0.00 179.25 179.17 1k5g h LYS 141 N -0.10 0.23 -0.96 0.00 1.57 -0.88 0.24 116.57 116.68 1k5g h LYS 141 Ca 0.04 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1k5g h LYS 141 Cb 0.15 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 1k5g h LYS 141 CO -0.09 0.15 0.61 0.82 -0.57 0.00 0.00 179.45 180.37 1k5g h ILE 142 N 0.24 0.92 -0.45 1.86 1.08 -0.23 0.47 117.51 121.40 1k5g h ILE 142 Ca 0.14 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 64.24 1k5g h ILE 142 Cb 0.12 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.78 1k5g h ILE 142 CO -0.15 0.17 0.06 0.00 -0.69 0.00 0.00 178.15 177.54 1k5g h ALA 143 N 1.55 0.60 -0.12 1.87 0.00 0.18 -0.75 119.26 122.59 1k5g h ALA 143 Ca 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1k5g h ALA 143 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k5g h ALA 143 CO -0.23 0.33 0.02 0.00 0.00 0.00 0.00 179.25 179.37 1k5g h ARG 144 N 0.61 0.20 -0.97 0.00 3.08 0.73 -2.02 114.38 116.01 1k5g h ARG 144 Ca 0.14 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.36 1k5g h ARG 144 Cb 0.40 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 1k5g h ARG 144 CO 0.01 0.39 0.63 0.00 -1.07 0.00 0.00 179.97 179.93 1k5g h ALA 145 N 0.80 2.18 0.00 0.04 0.00 0.06 0.61 119.26 122.94 1k5g h ALA 145 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1k5g h ALA 145 Cb 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1k5g h ALA 145 CO 0.00 -0.51 -0.65 -0.07 0.00 0.00 0.00 179.25 178.02 1k5g h LEU 146 N 0.44 0.00 -0.78 0.00 4.07 -0.57 -2.32 115.31 116.14 1k5g h LEU 146 Ca 0.53 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.43 1k5g h LEU 146 Cb 1.28 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.99 1k5g h LEU 146 CO -0.23 0.65 0.22 1.56 -1.08 0.00 0.00 178.44 179.55 1k5g h GLN 147 N 0.00 1.13 1.01 1.13 4.20 0.85 -1.27 115.11 122.17 1k5g h GLN 147 Ca -0.01 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 1k5g h GLN 147 Cb 1.26 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.89 1k5g h GLN 147 CO 0.08 0.97 -0.49 0.93 -0.67 0.00 0.00 178.83 179.65 1k5g h GLU 148 N 1.08 -1.31 -1.20 1.46 4.39 -0.91 -2.23 114.58 115.86 1k5g h GLU 148 Ca 0.23 0.09 0.39 0.00 0.34 0.00 0.00 59.36 60.42 1k5g h GLU 148 Cb 0.32 0.30 -0.13 0.00 -0.10 0.00 0.00 28.75 29.13 1k5g h GLU 148 CO -0.01 -0.88 0.75 1.25 -1.16 0.00 0.00 179.01 178.97 1k5g h LEU 149 N -1.36 0.32 -0.05 1.33 5.85 -1.15 0.91 115.31 121.16 1k5g h LEU 149 Ca -0.14 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1k5g h LEU 149 Cb 1.04 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1k5g h LEU 149 CO 0.23 -0.17 -0.26 0.00 -0.34 0.00 0.00 178.44 177.90 1k5g h ALA 150 N 1.69 -0.31 0.74 1.25 0.00 -0.60 0.04 119.26 122.06 1k5g h ALA 150 Ca 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.67 1k5g h ALA 150 Cb 2.26 0.47 0.01 0.00 0.00 0.00 0.00 17.79 20.52 1k5g h ALA 150 CO -0.47 -0.74 -0.35 0.28 0.00 0.00 0.00 179.25 177.96 1k5g h VAL 151 N -0.37 0.26 -0.03 0.00 2.07 0.90 -1.98 116.25 117.11 1k5g h VAL 151 Ca 0.08 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1k5g h VAL 151 Cb 0.48 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1k5g h VAL 151 CO -0.26 0.00 0.26 0.78 0.02 0.00 0.00 177.57 178.37 1k5g h ASN 152 N -1.02 0.00 0.17 0.57 2.35 -1.07 -0.16 115.58 116.42 1k5g h ASN 152 Ca -0.10 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.42 1k5g h ASN 152 Cb 0.77 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.16 1k5g h ASN 152 CO 0.17 0.00 -1.00 0.11 -1.65 0.00 0.00 177.43 175.06 1k5g h LYS 153 N 0.00 0.36 0.00 0.81 1.57 -0.40 -3.22 116.57 115.69 1k5g h LYS 153 Ca 0.01 -0.62 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 1k5g h LYS 153 Cb 0.53 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1k5g h LYS 153 CO -0.00 1.30 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.69 1k5g h LYS 154 N -0.24 0.00 0.00 3.15 3.64 -0.35 -2.31 116.57 120.47 1k5g h LYS 154 Ca -0.18 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1k5g h LYS 154 Cb 1.78 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.59 1k5g h LYS 154 CO 0.18 0.27 -0.51 0.00 -2.27 0.00 0.00 179.45 177.12 1k5g h ALA 155 N 1.73 1.15 -0.33 5.00 0.00 -1.39 -3.16 119.26 122.25 1k5g h ALA 155 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1k5g h ALA 155 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1k5g h ALA 155 CO 0.03 0.64 0.01 1.63 0.00 0.00 0.00 179.25 181.57 1k5g n LYS 156 N -3.92 3.01 -4.31 0.00 5.02 -0.97 -4.97 118.16 112.01 1k5g n LYS 156 Ca -0.01 -2.93 -0.38 0.00 -2.02 0.00 0.00 58.31 52.97 1k5g n LYS 156 Cb 0.53 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1k5g n LYS 156 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k5g n ASN 157 N -0.48 -2.60 -4.90 4.39 4.13 -0.94 -4.93 115.26 109.95 1k5g n ASN 157 Ca 0.25 -1.07 -0.28 0.00 1.68 0.00 0.00 54.58 55.16 1k5g n ASN 157 Cb 0.97 -2.18 -0.00 0.00 -1.54 0.00 0.00 39.78 37.03 1k5g n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k5g s ALA 158 N -3.22 3.35 0.71 5.41 0.00 -0.91 -5.04 121.76 122.06 1k5g s ALA 158 Ca 0.77 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1k5g s ALA 158 Cb -0.43 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1k5g s ALA 158 CO 0.94 -0.38 0.72 -2.30 0.00 0.00 0.00 175.76 174.74 1k5g n PRO 159 N -2.27 0.40 -2.28 0.00 -0.02 -1.26 -4.84 135.00 124.73 1k5g n PRO 159 Ca 0.01 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1k5g n PRO 159 Cb 0.55 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1k5g n PRO 159 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1k5g s PRO 160 N -2.97 3.66 0.29 0.52 0.02 -1.26 -4.95 135.00 130.31 1k5g s PRO 160 Ca 0.69 1.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.55 1k5g s PRO 160 Cb -0.35 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.98 1k5g s PRO 160 CO 0.54 -0.52 1.21 -1.17 -0.33 0.00 0.00 177.00 176.73 1k5g s LEU 161 N -4.14 4.48 -0.06 -5.54 2.96 -1.26 -4.72 118.68 110.41 1k5g s LEU 161 Ca 0.62 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 57.03 1k5g s LEU 161 Cb -0.13 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 1k5g s LEU 161 CO 0.31 -0.35 0.01 0.54 -1.32 0.00 0.00 176.35 175.54 1k5g n ARG 162 N 1.24 2.58 -3.84 1.98 5.12 0.17 -3.83 116.66 120.08 1k5g n ARG 162 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.75 1k5g n ARG 162 Cb 0.43 -1.15 -0.17 0.00 -1.16 0.00 0.00 32.46 30.42 1k5g n ARG 162 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1k5g s SER 163 N -3.87 0.58 -0.23 0.55 0.01 -0.51 0.04 113.70 110.26 1k5g s SER 163 Ca -0.04 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1k5g s SER 163 Cb 0.02 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1k5g s SER 163 CO 0.22 -0.14 -0.10 -0.63 0.41 0.00 0.00 173.24 173.01 1k5g s ILE 164 N 1.29 1.81 -0.64 1.44 1.01 0.08 0.01 121.20 126.21 1k5g s ILE 164 Ca -0.06 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 1k5g s ILE 164 Cb -0.13 -1.95 0.17 0.00 0.01 0.00 0.00 42.46 40.56 1k5g s ILE 164 CO -0.02 0.04 0.48 -0.63 0.00 0.00 0.00 174.94 174.81 1k5g s ILE 165 N 1.29 4.10 -0.47 2.92 -1.09 -0.22 -0.86 121.20 126.87 1k5g s ILE 165 Ca -0.05 -2.72 0.03 0.00 -2.23 0.00 0.00 60.65 55.67 1k5g s ILE 165 Cb -0.18 -3.65 0.14 0.00 -1.58 0.00 0.00 42.46 37.19 1k5g s ILE 165 CO -0.07 -0.89 0.26 0.00 -1.23 0.00 0.00 174.94 173.02 1k5g s GLY 167 N 0.14 1.51 -1.08 0.00 0.00 -1.24 -4.16 107.32 102.49 1k5g s GLY 167 Ca 0.19 -1.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 1k5g s GLY 167 CO -0.02 -1.62 0.94 0.54 0.00 0.00 0.00 173.10 172.95 1k5g n ARG 168 N -0.39 -6.35 0.00 2.90 1.74 0.23 0.73 116.66 115.52 1k5g n ARG 168 Ca -0.04 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1k5g n ARG 168 Cb 0.64 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 1k5g n ARG 168 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1k5g n ASN 169 N -2.20 1.17 -3.92 0.55 3.02 -1.25 -3.73 115.26 108.91 1k5g n ASN 169 Ca -0.01 -1.44 -0.26 0.00 -0.03 0.00 0.00 54.58 52.84 1k5g n ASN 169 Cb 0.56 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1k5g n ASN 169 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k5g n ARG 170 N -0.22 -3.94 0.30 3.52 1.74 -1.26 -0.18 116.66 116.63 1k5g n ARG 170 Ca 0.00 0.48 0.19 0.00 -0.77 0.00 0.00 57.85 57.74 1k5g n ARG 170 Cb 0.21 -4.86 1.02 0.00 -1.02 0.00 0.00 32.46 27.81 1k5g n ARG 170 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1k5g h LEU 171 N -1.84 0.00 0.00 0.55 3.38 -1.83 -2.69 115.31 112.89 1k5g h LEU 171 Ca -0.62 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.36 1k5g h LEU 171 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1k5g h LEU 171 CO 0.63 0.00 -0.01 -0.62 0.09 0.00 0.00 178.44 178.53 1k5g n GLU 172 N -3.40 -0.05 0.16 1.13 1.02 0.41 -2.89 120.64 117.02 1k5g n GLU 172 Ca -0.02 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1k5g n GLU 172 Cb 0.17 -0.06 0.07 0.00 -0.02 0.00 0.00 31.44 31.60 1k5g n GLU 172 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1k5g h ASN 173 N -0.02 0.00 -0.87 1.62 -0.26 -1.84 -3.31 115.58 110.89 1k5g h ASN 173 Ca 0.00 0.00 0.22 0.00 -0.56 0.00 0.00 56.30 55.96 1k5g h ASN 173 Cb 0.02 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.13 1k5g h ASN 173 CO 0.00 0.38 0.07 1.23 -1.06 0.00 0.00 177.43 178.05 1k5g h GLY 174 N 3.57 1.11 -1.58 2.83 0.00 -1.91 -0.04 103.07 107.06 1k5g h GLY 174 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1k5g h GLY 174 CO 0.05 -0.39 0.00 -1.14 0.00 0.00 0.00 176.54 175.06 1k5g n SER 175 N -5.37 2.61 -0.12 0.19 3.41 -1.14 -4.41 113.62 108.78 1k5g n SER 175 Ca 0.19 -1.85 -0.06 0.00 -0.26 0.00 0.00 58.87 56.89 1k5g n SER 175 Cb 0.63 -0.13 0.12 0.00 -0.26 0.00 0.00 64.21 64.57 1k5g n SER 175 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1k5g h MET 176 N 3.60 0.83 -0.34 4.33 2.07 -1.10 -0.36 114.93 123.96 1k5g h MET 176 Ca 0.00 -0.25 0.07 0.00 -2.07 0.00 0.00 59.70 57.45 1k5g h MET 176 Cb 0.78 -0.08 -0.08 0.00 -1.87 0.00 0.00 31.60 30.36 1k5g h MET 176 CO 0.00 0.87 -0.16 0.87 1.07 0.00 0.00 176.91 179.55 1k5g h LYS 177 N 0.76 -0.11 0.16 1.72 1.57 -1.77 0.27 116.57 119.18 1k5g h LYS 177 Ca 0.14 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1k5g h LYS 177 Cb 0.53 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1k5g h LYS 177 CO 0.03 -0.07 -0.08 1.49 -0.57 0.00 0.00 179.45 180.25 1k5g h GLU 178 N -0.11 -0.21 -0.93 3.15 4.57 -1.78 -3.17 114.58 116.10 1k5g h GLU 178 Ca 0.17 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.54 1k5g h GLU 178 Cb 0.37 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.91 1k5g h GLU 178 CO -0.41 0.17 0.52 -1.49 -1.18 0.00 0.00 179.01 176.62 1k5g h TRP 179 N -0.65 0.91 -0.49 0.92 4.06 -0.84 0.96 115.95 120.83 1k5g h TRP 179 Ca -0.02 0.03 0.13 0.00 2.06 0.00 0.00 58.89 61.09 1k5g h TRP 179 Cb 0.48 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1k5g h TRP 179 CO 0.05 0.21 0.35 0.00 -3.56 0.00 0.00 178.44 175.49 1k5g h ALA 180 N 1.61 2.35 0.04 1.49 0.00 -0.94 0.41 119.26 124.21 1k5g h ALA 180 Ca 0.52 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.15 1k5g h ALA 180 Cb 0.78 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1k5g h ALA 180 CO -0.38 -0.48 -1.09 0.87 0.00 0.00 0.00 179.25 178.17 1k5g h LYS 181 N 0.09 0.58 -0.70 0.00 1.57 0.93 -2.65 116.57 116.39 1k5g h LYS 181 Ca 0.23 -0.69 0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1k5g h LYS 181 Cb 0.81 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1k5g h LYS 181 CO -0.02 1.28 0.46 1.15 -0.57 0.00 0.00 179.45 181.75 1k5g h THR 182 N 0.30 0.91 -0.07 -0.16 2.02 0.10 -1.15 112.91 114.86 1k5g h THR 182 Ca -0.14 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1k5g h THR 182 Cb 1.75 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1k5g h THR 182 CO 0.21 0.10 -0.36 -0.26 0.37 0.00 0.00 175.52 175.58 1k5g h PHE 183 N 0.55 0.50 -0.99 3.16 0.05 -1.05 -2.36 116.94 116.79 1k5g h PHE 183 Ca 0.32 -0.22 0.29 0.00 3.82 0.00 0.00 57.97 62.18 1k5g h PHE 183 Cb 0.53 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.36 1k5g h PHE 183 CO -0.00 0.97 0.71 1.96 -0.18 0.00 0.00 178.31 181.77 1k5g h GLN 184 N -0.12 0.02 0.23 1.51 4.20 -0.90 -1.30 115.11 118.75 1k5g h GLN 184 Ca -0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1k5g h GLN 184 Cb 1.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1k5g h GLN 184 CO 0.07 0.01 -0.11 0.77 -0.67 0.00 0.00 178.83 178.90 1k5g h SER 185 N 0.02 -0.26 -1.28 1.46 0.02 -1.02 -3.37 113.55 109.11 1k5g h SER 185 Ca 0.47 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 60.68 1k5g h SER 185 Cb 1.88 0.07 -0.14 0.00 0.14 0.00 0.00 62.40 64.34 1k5g h SER 185 CO -0.01 -0.07 2.10 1.41 -1.14 0.00 0.00 176.83 179.12 1k5g n HIS 186 N -3.49 3.15 0.98 3.45 8.25 -0.50 -4.80 115.22 122.26 1k5g n HIS 186 Ca -0.04 -2.85 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 1k5g n HIS 186 Cb 0.12 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.20 1k5g n HIS 186 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k5g n ARG 187 N 4.26 0.68 -0.08 -0.41 1.74 -1.17 -3.00 116.66 118.68 1k5g n ARG 187 Ca 0.41 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.57 1k5g n ARG 187 Cb 0.37 -1.19 0.12 0.00 -1.02 0.00 0.00 32.46 30.74 1k5g n ARG 187 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k5g n LEU 188 N -0.13 2.36 -4.74 0.55 4.77 -1.26 -4.23 117.00 114.33 1k5g n LEU 188 Ca 0.00 -2.89 -0.33 0.00 -0.03 0.00 0.00 56.01 52.75 1k5g n LEU 188 Cb 0.10 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1k5g n LEU 188 CO 0.00 0.67 0.76 -0.76 -1.33 0.00 0.00 177.39 176.74 1k5g s LEU 189 N -2.55 3.29 -0.04 2.23 1.43 -1.16 -4.72 118.68 117.16 1k5g s LEU 189 Ca 0.27 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1k5g s LEU 189 Cb 0.23 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1k5g s LEU 189 CO 0.03 -2.12 -0.04 1.41 0.23 0.00 0.00 176.35 175.86 1k5g n HIS 190 N -2.79 0.00 -3.88 0.29 8.25 0.11 -2.71 115.22 114.48 1k5g n HIS 190 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1k5g n HIS 190 Cb 0.51 -0.16 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 1k5g n HIS 190 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1k5g s THR 191 N -2.09 1.21 -0.15 1.59 2.01 -0.73 0.04 115.64 117.52 1k5g s THR 191 Ca -0.06 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1k5g s THR 191 Cb 0.01 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1k5g s THR 191 CO 0.10 -0.08 -0.16 0.54 -0.69 0.00 0.00 174.62 174.33 1k5g s VAL 192 N 1.55 1.74 -0.33 3.82 0.11 -0.37 -0.74 120.40 126.19 1k5g s VAL 192 Ca -0.03 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1k5g s VAL 192 Cb -0.18 -1.60 0.10 0.00 -1.53 0.00 0.00 36.38 33.18 1k5g s VAL 192 CO -0.07 0.49 0.10 -0.54 -3.33 0.00 0.00 175.10 171.75 1k5g s LYS 193 N 1.34 0.88 -0.80 1.54 1.02 -0.04 -2.37 119.74 121.31 1k5g s LYS 193 Ca 0.03 -1.29 0.02 0.00 0.02 0.00 0.00 55.97 54.76 1k5g s LYS 193 Cb -0.13 -2.21 0.27 0.00 -0.52 0.00 0.00 37.83 35.24 1k5g s LYS 193 CO -0.10 -1.00 1.03 -1.33 -0.92 0.00 0.00 175.35 173.04 1k5g n MET 194 N 4.64 3.29 -2.99 1.68 2.81 -0.65 -1.15 117.12 124.75 1k5g n MET 194 Ca -0.00 -4.64 -0.38 0.00 -1.81 0.00 0.00 57.70 50.87 1k5g n MET 194 Cb 0.41 -2.35 -0.06 0.00 -0.71 0.00 0.00 33.22 30.51 1k5g n MET 194 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1k5g s VAL 195 N -2.67 4.40 -1.14 2.03 1.01 -1.25 -4.45 120.40 118.32 1k5g s VAL 195 Ca 0.37 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.85 1k5g s VAL 195 Cb 0.12 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1k5g s VAL 195 CO 0.03 0.36 0.84 1.67 0.00 0.00 0.00 175.10 178.00 1k5g n GLN 196 N 1.14 -2.88 -0.57 2.72 0.00 0.52 0.74 117.38 119.05 1k5g n GLN 196 Ca -0.03 0.69 0.04 0.00 -0.00 0.00 0.00 57.00 57.70 1k5g n GLN 196 Cb 0.50 -5.19 0.20 0.00 0.00 0.00 0.00 30.24 25.74 1k5g n GLN 196 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1k5g n ASN 197 N -3.02 2.19 0.00 1.69 3.02 -1.26 -2.68 115.26 115.21 1k5g n ASN 197 Ca -0.14 -3.68 0.00 0.00 -0.03 0.00 0.00 54.58 50.73 1k5g n ASN 197 Cb 0.63 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1k5g n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5g n GLY 198 N -1.13 0.00 3.68 7.41 0.00 -1.26 -0.45 105.19 113.44 1k5g n GLY 198 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1k5g n GLY 198 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k5g n ILE 199 N -0.96 0.46 -2.73 -0.61 5.41 -1.26 -4.62 119.36 115.04 1k5g n ILE 199 Ca 0.00 -0.08 -0.21 0.00 1.00 0.00 0.00 62.75 63.45 1k5g n ILE 199 Cb 0.23 -2.17 0.07 0.00 -0.71 0.00 0.00 39.64 37.06 1k5g n ILE 199 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1k5g s ARG 200 N 3.14 2.20 0.01 0.38 0.52 -1.26 -2.18 118.95 121.76 1k5g s ARG 200 Ca 0.84 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1k5g s ARG 200 Cb -0.47 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 1k5g s ARG 200 CO 0.39 -0.97 0.75 -2.30 0.02 0.00 0.00 175.30 173.18 1k5g n PRO 201 N -2.46 -0.02 -0.34 3.54 -0.02 -0.71 0.15 135.00 135.14 1k5g n PRO 201 Ca 0.12 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.54 1k5g n PRO 201 Cb 0.60 -1.12 0.41 0.00 -0.02 0.00 0.00 33.50 33.37 1k5g n PRO 201 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k5g h GLU 202 N 0.00 0.50 0.67 -0.52 3.07 -1.90 0.17 114.58 116.57 1k5g h GLU 202 Ca 0.01 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1k5g h GLU 202 Cb 0.02 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1k5g h GLU 202 CO -0.04 0.33 -0.36 0.78 -1.40 0.00 0.00 179.01 178.31 1k5g h GLY 203 N 0.51 -1.02 1.01 -3.84 0.00 -0.66 -2.58 103.07 96.50 1k5g h GLY 203 Ca 0.67 0.40 0.01 0.00 0.00 0.00 0.00 47.33 48.40 1k5g h GLY 203 CO -0.51 -0.37 0.58 -2.22 0.00 0.00 0.00 176.54 174.02 1k5g h ILE 204 N -0.96 1.23 -0.67 2.60 5.03 0.52 0.43 117.51 125.70 1k5g h ILE 204 Ca -0.09 -0.43 0.13 0.00 -0.12 0.00 0.00 64.86 64.36 1k5g h ILE 204 Cb 0.75 -0.06 -0.10 0.00 -3.03 0.00 0.00 36.82 34.39 1k5g h ILE 204 CO 0.12 0.22 0.15 -0.08 -0.68 0.00 0.00 178.15 177.89 1k5g h GLU 205 N 1.20 0.27 0.18 2.37 4.81 -0.63 0.22 114.58 122.99 1k5g h GLU 205 Ca 0.32 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1k5g h GLU 205 Cb -0.12 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1k5g h GLU 205 CO -0.07 0.18 -0.09 1.25 -0.73 0.00 0.00 179.01 179.55 1k5g h HIS 206 N 0.27 -0.22 -1.10 0.92 2.76 -1.03 -1.11 115.15 115.64 1k5g h HIS 206 Ca 0.36 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.93 1k5g h HIS 206 Cb 0.57 0.07 -0.13 0.00 1.55 0.00 0.00 27.41 29.47 1k5g h HIS 206 CO -0.25 -0.14 0.68 -0.11 -1.30 0.00 0.00 177.93 176.81 1k5g n LEU 207 N -3.14 0.22 0.00 0.26 7.94 0.10 -0.63 117.00 121.74 1k5g n LEU 207 Ca -0.03 1.27 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1k5g n LEU 207 Cb 0.10 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1k5g n LEU 207 CO 0.07 -1.39 0.02 0.18 -1.11 0.00 0.00 177.39 175.16 1k5g n LEU 208 N -4.58 1.78 0.11 -1.96 7.99 0.77 -1.70 117.00 119.41 1k5g n LEU 208 Ca 0.34 0.22 0.20 0.00 -0.01 0.00 0.00 56.01 56.76 1k5g n LEU 208 Cb 1.29 -0.18 0.73 0.00 -0.11 0.00 0.00 43.42 45.15 1k5g n LEU 208 CO 0.12 -0.18 1.18 -0.07 -1.51 0.00 0.00 177.39 176.92 1k5g h LEU 209 N 0.00 0.00 -0.51 2.23 3.38 -0.78 -1.98 115.31 117.65 1k5g h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k5g h LEU 209 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k5g h LEU 209 CO 0.00 0.00 -0.07 1.21 0.09 0.00 0.00 178.44 179.67 1k5g n GLU 210 N -3.56 3.06 0.00 1.13 4.07 0.20 -4.79 120.64 120.75 1k5g n GLU 210 Ca 0.07 -0.31 0.00 0.00 -0.06 0.00 0.00 57.16 56.86 1k5g n GLU 210 Cb 0.64 -0.82 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 1k5g n GLU 210 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k5g n GLY 211 N 0.66 1.04 0.24 8.31 0.00 -0.81 -4.65 105.19 109.98 1k5g n GLY 211 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.24 1k5g n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5g n LEU 212 N 0.00 0.17 0.20 0.99 7.99 -0.69 -0.63 117.00 125.03 1k5g n LEU 212 Ca 0.00 1.25 0.13 0.00 -0.01 0.00 0.00 56.01 57.38 1k5g n LEU 212 Cb 0.00 -0.57 0.47 0.00 -0.11 0.00 0.00 43.42 43.21 1k5g n LEU 212 CO 0.00 -1.37 1.12 0.00 -1.51 0.00 0.00 177.39 175.63 1k5g h ALA 213 N 1.50 1.96 -0.00 -1.18 0.00 -1.63 0.72 119.26 120.63 1k5g h ALA 213 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1k5g h ALA 213 Cb 1.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1k5g h ALA 213 CO -0.61 -0.85 -0.33 0.66 0.00 0.00 0.00 179.25 178.12 1k5g n TYR 214 N -2.95 0.00 -1.82 0.00 4.02 0.19 -4.44 117.16 112.17 1k5g n TYR 214 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.55 1k5g n TYR 214 Cb 0.82 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.92 1k5g n TYR 214 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k5g h GLN 216 N 4.54 0.00 0.00 0.00 4.20 -1.75 0.31 115.11 122.42 1k5g h GLN 216 Ca 0.71 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.42 1k5g h GLN 216 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1k5g h GLN 216 CO 1.47 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 180.56 1k5g h GLU 217 N 0.00 0.00 -5.01 1.46 4.39 -1.80 -3.39 114.58 110.23 1k5g h GLU 217 Ca 0.72 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.73 1k5g h GLU 217 Cb 3.23 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 31.91 1k5g h GLU 217 CO -0.01 0.00 0.25 -0.11 -1.16 0.00 0.00 179.01 177.98 1k5g n LEU 218 N -2.84 0.38 -0.07 1.33 7.94 0.11 -4.74 117.00 119.11 1k5g n LEU 218 Ca 0.03 0.98 -0.12 0.00 -1.11 0.00 0.00 56.01 55.79 1k5g n LEU 218 Cb 0.42 -0.76 -0.06 0.00 0.53 0.00 0.00 43.42 43.56 1k5g n LEU 218 CO 0.30 -1.26 -0.98 0.29 -1.11 0.00 0.00 177.39 174.64 1k5g n LYS 219 N 2.05 0.33 -4.05 1.96 5.02 0.16 -3.51 118.16 120.12 1k5g n LYS 219 Ca 0.20 0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 56.34 1k5g n LYS 219 Cb 0.02 -1.17 -0.17 0.00 -0.02 0.00 0.00 35.03 33.70 1k5g n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k5g s VAL 220 N -2.27 0.92 -0.08 -0.18 1.01 0.11 -0.58 120.40 119.32 1k5g s VAL 220 Ca -0.19 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1k5g s VAL 220 Cb 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1k5g s VAL 220 CO 0.29 0.34 -0.08 -0.22 0.00 0.00 0.00 175.10 175.43 1k5g s LEU 221 N 1.46 1.28 -0.13 3.92 2.96 -0.73 -1.23 118.68 126.21 1k5g s LEU 221 Ca -0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1k5g s LEU 221 Cb -0.13 -0.74 0.03 0.00 0.50 0.00 0.00 46.19 45.84 1k5g s LEU 221 CO -0.05 -0.07 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.20 1k5g s ASP 222 N 1.31 2.45 -0.15 3.68 -1.08 -1.00 -1.60 116.67 120.28 1k5g s ASP 222 Ca -0.03 -0.43 0.15 0.00 -0.52 0.00 0.00 52.55 51.72 1k5g s ASP 222 Cb -0.14 -0.94 0.35 0.00 -1.46 0.00 0.00 42.92 40.73 1k5g s ASP 222 CO -0.03 -0.12 1.18 0.18 0.52 0.00 0.00 175.17 176.90 1k5g n LEU 223 N 4.89 2.33 -4.50 -1.34 4.77 -0.57 -1.64 117.00 120.92 1k5g n LEU 223 Ca -0.13 -3.32 -0.45 0.00 -0.03 0.00 0.00 56.01 52.08 1k5g n LEU 223 Cb 0.49 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1k5g n LEU 223 CO 0.18 1.01 0.28 1.67 -1.33 0.00 0.00 177.39 179.20 1k5g n GLN 224 N -1.10 0.78 -3.51 3.23 7.27 -1.17 -3.51 117.38 119.38 1k5g n GLN 224 Ca 0.16 0.28 -0.20 0.00 0.07 0.00 0.00 57.00 57.31 1k5g n GLN 224 Cb 0.70 -1.53 0.08 0.00 2.41 0.00 0.00 30.24 31.91 1k5g n GLN 224 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1k5g n ASP 225 N 1.45 -3.80 -4.10 1.69 2.03 -0.24 -0.36 116.55 113.23 1k5g n ASP 225 Ca 0.12 -0.60 -0.21 0.00 0.52 0.00 0.00 54.79 54.62 1k5g n ASP 225 Cb 0.32 -5.05 -0.15 0.00 -0.72 0.00 0.00 41.12 35.53 1k5g n ASP 225 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1k5g s ASN 226 N -3.93 1.55 -0.24 1.67 0.01 -1.23 -3.99 114.94 108.78 1k5g s ASN 226 Ca 0.25 -0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 51.85 1k5g s ASN 226 Cb -0.11 -0.17 -0.01 0.00 0.41 0.00 0.00 41.25 41.37 1k5g s ASN 226 CO 0.73 0.15 1.40 -0.89 -1.51 0.00 0.00 177.10 176.99 1k5g s THR 227 N -0.35 4.01 -0.06 1.60 2.01 -0.93 -4.20 115.64 117.72 1k5g s THR 227 Ca 0.05 1.17 -0.05 0.00 0.31 0.00 0.00 61.69 63.16 1k5g s THR 227 Cb -0.05 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1k5g s THR 227 CO -0.00 -0.33 -0.10 0.49 -0.69 0.00 0.00 174.62 173.98 1k5g n PHE 228 N 7.63 0.19 -4.13 4.92 3.01 0.13 -1.74 117.46 127.48 1k5g n PHE 228 Ca 0.16 0.08 0.02 0.00 1.01 0.00 0.00 57.45 58.72 1k5g n PHE 228 Cb 0.46 -0.33 -0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1k5g n PHE 228 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1k5g n THR 229 N -3.24 0.00 -0.36 4.37 -2.24 -0.41 -1.71 114.28 110.70 1k5g n THR 229 Ca -0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1k5g n THR 229 Cb 0.15 -0.04 0.17 0.00 -2.10 0.00 0.00 70.33 68.51 1k5g n THR 229 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1k5g h HIS 230 N -0.11 1.16 0.30 4.78 -0.00 -1.83 -0.69 115.15 118.75 1k5g h HIS 230 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1k5g h HIS 230 Cb 0.11 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 1k5g h HIS 230 CO 0.00 0.59 -0.14 1.25 -0.00 0.00 0.00 177.93 179.62 1k5g h LEU 231 N 1.12 -0.34 -0.39 0.26 5.85 -1.91 -1.49 115.31 118.41 1k5g h LEU 231 Ca 0.43 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.15 1k5g h LEU 231 Cb 0.19 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1k5g h LEU 231 CO -0.18 -0.21 0.24 1.23 -0.34 0.00 0.00 178.44 179.17 1k5g h GLY 232 N -0.44 0.54 0.54 3.75 0.00 -1.04 -2.73 103.07 103.69 1k5g h GLY 232 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1k5g h GLY 232 CO 0.07 0.16 -0.22 1.76 0.00 0.00 0.00 176.54 178.31 1k5g h SER 233 N 0.48 -0.64 -0.97 0.19 0.02 -1.02 -0.30 113.55 111.32 1k5g h SER 233 Ca 0.15 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.37 1k5g h SER 233 Cb -0.01 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 62.68 1k5g h SER 233 CO -0.06 -0.30 0.57 0.28 -1.14 0.00 0.00 176.83 176.18 1k5g h SER 234 N -0.37 0.71 0.81 3.07 0.02 -1.18 0.60 113.55 117.22 1k5g h SER 234 Ca 0.05 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1k5g h SER 234 Cb 0.43 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1k5g h SER 234 CO -0.17 0.25 -0.41 0.00 -1.14 0.00 0.00 176.83 175.36 1k5g h ALA 235 N 1.63 -1.29 -0.91 3.77 0.00 -1.03 -1.81 119.26 119.62 1k5g h ALA 235 Ca 0.56 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.47 1k5g h ALA 235 Cb 0.86 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1k5g h ALA 235 CO -0.39 -1.22 0.34 1.25 0.00 0.00 0.00 179.25 179.24 1k5g h LEU 236 N -1.12 0.19 0.45 0.00 5.85 0.74 -0.16 115.31 121.25 1k5g h LEU 236 Ca -0.11 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1k5g h LEU 236 Cb 0.87 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1k5g h LEU 236 CO 0.17 -0.11 -0.26 0.00 -0.34 0.00 0.00 178.44 177.90 1k5g h ALA 237 N 1.78 -0.66 -0.40 1.25 0.00 0.34 -0.98 119.26 120.58 1k5g h ALA 237 Ca 0.59 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1k5g h ALA 237 Cb 1.21 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1k5g h ALA 237 CO -0.61 -0.88 0.08 0.82 0.00 0.00 0.00 179.25 178.66 1k5g h ILE 238 N -0.67 0.80 0.00 0.00 2.04 -0.25 -2.69 117.51 116.74 1k5g h ILE 238 Ca -0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1k5g h ILE 238 Cb 0.53 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1k5g h ILE 238 CO 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 178.15 178.12 1k5g h ALA 239 N 1.30 1.25 -1.00 1.87 0.00 -0.89 -3.27 119.26 118.52 1k5g h ALA 239 Ca 0.19 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1k5g h ALA 239 Cb 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1k5g h ALA 239 CO -0.25 0.17 0.61 -0.07 0.00 0.00 0.00 179.25 179.71 1k5g h LEU 240 N 0.00 0.71 -0.50 0.00 3.38 -0.83 0.19 115.31 118.27 1k5g h LEU 240 Ca -0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k5g h LEU 240 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1k5g h LEU 240 CO 0.02 0.19 0.00 2.29 0.09 0.00 0.00 178.44 181.03 1k5g n LYS 241 N -4.80 0.06 0.18 1.13 2.85 -1.23 -2.05 118.16 114.29 1k5g n LYS 241 Ca 0.25 0.50 0.12 0.00 -1.05 0.00 0.00 58.31 58.13 1k5g n LYS 241 Cb 0.66 -1.67 0.14 0.00 -0.65 0.00 0.00 35.03 33.51 1k5g n LYS 241 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1k5g h SER 242 N 0.00 0.00 -3.69 -5.58 0.02 -0.86 -3.41 113.55 100.03 1k5g h SER 242 Ca 0.00 -0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.27 1k5g h SER 242 Cb 0.06 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.22 1k5g h SER 242 CO 0.00 0.00 -0.38 0.26 -1.14 0.00 0.00 176.83 175.57 1k5g s TRP 243 N -3.24 3.56 0.12 3.45 0.51 -0.87 -4.28 118.94 118.18 1k5g s TRP 243 Ca 0.05 -3.05 -0.17 0.00 -2.12 0.00 0.00 56.10 50.81 1k5g s TRP 243 Cb 0.07 -3.02 -0.04 0.00 -0.81 0.00 0.00 33.47 29.67 1k5g s TRP 243 CO 0.70 -0.71 1.66 -1.35 -0.51 0.00 0.00 176.95 176.73 1k5g h PRO 244 N 6.20 0.48 -1.18 4.98 0.11 -1.81 -2.61 132.00 138.17 1k5g h PRO 244 Ca 0.07 -0.09 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 1k5g h PRO 244 Cb 0.85 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.78 1k5g h PRO 244 CO 0.75 0.49 0.25 0.09 -0.21 0.00 0.00 178.00 179.36 1k5g n ASN 245 N -4.72 4.05 -4.76 -2.05 3.02 -1.26 -4.49 115.26 105.06 1k5g n ASN 245 Ca -0.02 -2.64 -0.40 0.00 -0.03 0.00 0.00 54.58 51.49 1k5g n ASN 245 Cb 0.14 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 1k5g n ASN 245 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k5g s LEU 246 N -1.17 4.52 0.00 3.41 2.96 -0.99 -4.07 118.68 123.34 1k5g s LEU 246 Ca 0.20 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1k5g s LEU 246 Cb 0.17 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1k5g s LEU 246 CO 0.03 -0.23 0.00 0.54 -1.32 0.00 0.00 176.35 175.37 1k5g n ARG 247 N 1.31 1.93 -3.94 1.98 1.74 0.25 -3.37 116.66 116.56 1k5g n ARG 247 Ca -0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1k5g n ARG 247 Cb 0.44 -0.69 -0.17 0.00 -1.02 0.00 0.00 32.46 31.02 1k5g n ARG 247 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1k5g s GLU 248 N -1.26 0.79 -0.29 5.56 2.12 -1.08 -0.29 118.70 124.25 1k5g s GLU 248 Ca 0.00 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1k5g s GLU 248 Cb 0.00 -0.98 0.08 0.00 0.26 0.00 0.00 34.13 33.49 1k5g s GLU 248 CO 0.00 -0.21 0.02 -1.17 -0.54 0.00 0.00 175.26 173.35 1k5g s LEU 249 N 1.53 3.20 -0.45 2.70 2.96 -0.59 -1.77 118.68 126.27 1k5g s LEU 249 Ca -0.01 -1.61 -0.14 0.00 -0.22 0.00 0.00 54.13 52.14 1k5g s LEU 249 Cb -0.13 -1.25 0.06 0.00 0.50 0.00 0.00 46.19 45.37 1k5g s LEU 249 CO -0.03 -0.33 0.34 -0.83 -1.32 0.00 0.00 176.35 174.18 1k5g s GLY 250 N 1.29 2.02 -0.15 7.98 0.00 -0.63 -0.82 107.32 117.01 1k5g s GLY 250 Ca 0.03 -2.03 0.18 0.00 0.00 0.00 0.00 44.72 42.90 1k5g s GLY 250 CO -0.12 1.00 1.23 1.04 0.00 0.00 0.00 173.10 176.25 1k5g n LEU 251 N 5.13 2.78 -4.73 0.66 4.77 0.58 -1.52 117.00 124.68 1k5g n LEU 251 Ca -0.12 -3.12 -0.42 0.00 -0.03 0.00 0.00 56.01 52.33 1k5g n LEU 251 Cb 0.44 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1k5g n LEU 251 CO 0.44 0.74 1.29 0.59 -1.33 0.00 0.00 177.39 179.12 1k5g n ASN 252 N -1.19 3.90 -0.93 -1.43 5.03 -1.12 -2.66 115.26 116.86 1k5g n ASN 252 Ca 0.18 1.12 -0.09 0.00 0.87 0.00 0.00 54.58 56.66 1k5g n ASN 252 Cb 0.71 -1.58 -0.01 0.00 -1.02 0.00 0.00 39.78 37.88 1k5g n ASN 252 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1k5g n ASP 253 N 2.82 -3.19 -0.98 6.41 10.43 -1.19 -1.08 116.55 129.77 1k5g n ASP 253 Ca 0.11 0.03 0.10 0.00 2.57 0.00 0.00 54.79 57.60 1k5g n ASP 253 Cb 0.36 -2.31 0.20 0.00 1.84 0.00 0.00 41.12 41.20 1k5g n ASP 253 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1k5g n LEU 255 N 1.18 -2.12 -0.32 0.00 4.77 -1.22 0.20 117.00 119.49 1k5g n LEU 255 Ca 0.17 -0.98 0.24 0.00 -0.03 0.00 0.00 56.01 55.41 1k5g n LEU 255 Cb 0.53 -2.23 0.54 0.00 -2.33 0.00 0.00 43.42 39.93 1k5g n LEU 255 CO 0.13 0.39 1.23 -0.07 -1.33 0.00 0.00 177.39 177.74 1k5g h LEU 256 N -1.76 0.39 0.00 2.23 3.38 -1.84 -1.08 115.31 116.64 1k5g h LEU 256 Ca -0.61 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1k5g h LEU 256 Cb 1.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1k5g h LEU 256 CO 0.68 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.73 1k5g n SER 257 N -4.59 -0.17 -0.28 -0.43 3.41 -0.58 -3.46 113.62 107.51 1k5g n SER 257 Ca 0.26 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.96 1k5g n SER 257 Cb 0.93 0.53 0.25 0.00 -0.26 0.00 0.00 64.21 65.66 1k5g n SER 257 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k5g h ALA 258 N 0.00 1.22 -0.26 7.33 0.00 -1.70 0.11 119.26 125.97 1k5g h ALA 258 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1k5g h ALA 258 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1k5g h ALA 258 CO 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 179.25 178.48 1k5g h ARG 259 N 0.36 0.66 0.64 0.00 3.08 -1.90 -2.45 114.38 114.77 1k5g h ARG 259 Ca 0.50 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1k5g h ARG 259 Cb 0.89 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.97 1k5g h ARG 259 CO -0.52 0.97 -0.31 0.78 -1.07 0.00 0.00 179.97 179.82 1k5g h GLY 260 N 0.98 -0.90 0.18 0.04 0.00 -0.89 -2.64 103.07 99.84 1k5g h GLY 260 Ca 0.04 0.33 0.14 0.00 0.00 0.00 0.00 47.33 47.84 1k5g h GLY 260 CO 0.09 -0.33 0.35 0.00 0.00 0.00 0.00 176.54 176.65 1k5g h ALA 261 N -0.97 1.13 -0.82 3.60 0.00 -1.23 0.15 119.26 121.12 1k5g h ALA 261 Ca -0.09 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1k5g h ALA 261 Cb 0.70 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.39 1k5g h ALA 261 CO 0.15 -0.17 -0.21 0.00 0.00 0.00 0.00 179.25 179.01 1k5g h ALA 262 N 1.55 0.52 -0.02 0.00 0.00 -1.29 0.44 119.26 120.45 1k5g h ALA 262 Ca 0.43 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.62 1k5g h ALA 262 Cb 0.63 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1k5g h ALA 262 CO -0.39 -0.41 -0.13 0.00 0.00 0.00 0.00 179.25 178.32 1k5g h ALA 263 N 1.79 0.05 -0.64 0.00 0.00 -0.47 -2.15 119.26 117.83 1k5g h ALA 263 Ca 0.39 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1k5g h ALA 263 Cb 0.60 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1k5g h ALA 263 CO -0.84 -0.02 0.17 0.28 0.00 0.00 0.00 179.25 178.84 1k5g h VAL 264 N -0.47 0.64 0.49 0.00 2.07 0.23 1.07 116.25 120.28 1k5g h VAL 264 Ca -0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1k5g h VAL 264 Cb 0.80 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1k5g h VAL 264 CO 0.03 0.06 -0.27 0.58 0.02 0.00 0.00 177.57 177.98 1k5g h VAL 265 N 0.31 0.44 -0.86 2.57 2.07 -0.21 -1.13 116.25 119.44 1k5g h VAL 265 Ca 0.34 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.06 1k5g h VAL 265 Cb 0.51 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 1k5g h VAL 265 CO -0.40 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 176.73 1k5g h ASP 266 N -0.72 0.23 -0.18 0.57 1.82 -0.32 0.33 116.42 118.16 1k5g h ASP 266 Ca -0.06 0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.78 1k5g h ASP 266 Cb 0.57 0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.67 1k5g h ASP 266 CO 0.08 -0.01 -0.43 0.00 -1.61 0.00 0.00 179.24 177.27 1k5g h ALA 267 N 1.69 -0.58 -0.55 -0.78 0.00 0.23 -0.09 119.26 119.16 1k5g h ALA 267 Ca 0.52 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1k5g h ALA 267 Cb 0.96 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1k5g h ALA 267 CO -0.53 -0.92 0.22 0.74 0.00 0.00 0.00 179.25 178.76 1k5g h PHE 268 N -0.47 0.39 -1.09 0.00 -1.00 0.10 -1.87 116.94 113.01 1k5g h PHE 268 Ca 0.08 0.03 0.41 0.00 2.81 0.00 0.00 57.97 61.30 1k5g h PHE 268 Cb 0.62 -0.09 -0.16 0.00 3.61 0.00 0.00 35.95 39.93 1k5g h PHE 268 CO -0.51 0.13 0.63 1.03 -1.61 0.00 0.00 178.31 177.98 1k5g h SER 269 N 0.42 0.33 1.45 2.17 0.87 0.42 0.77 113.55 119.98 1k5g h SER 269 Ca 0.27 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 1k5g h SER 269 Cb 0.28 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1k5g h SER 269 CO -0.25 -0.33 -0.55 0.11 -0.53 0.00 0.00 176.83 175.27 1k5g h LYS 270 N 0.07 0.00 -7.24 2.24 1.57 -0.97 -3.47 116.57 108.77 1k5g h LYS 270 Ca 0.83 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 59.11 1k5g h LYS 270 Cb 2.27 0.00 0.20 0.00 0.08 0.00 0.00 32.23 34.78 1k5g h LYS 270 CO -0.65 0.02 0.17 -0.51 -0.57 0.00 0.00 179.45 177.90 1k5g s LEU 271 N -5.77 2.29 0.20 2.94 1.43 0.27 -5.04 118.68 115.00 1k5g s LEU 271 Ca 0.03 1.99 0.07 0.00 -1.03 0.00 0.00 54.13 55.19 1k5g s LEU 271 Cb 0.07 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1k5g s LEU 271 CO 0.74 -3.38 -0.13 -0.70 0.23 0.00 0.00 176.35 173.11 1k5g s GLU 272 N -4.61 1.32 -1.40 1.70 2.12 -1.26 -4.82 118.70 111.75 1k5g s GLU 272 Ca 0.67 -1.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.27 1k5g s GLU 272 Cb -0.23 -1.06 0.02 0.00 0.26 0.00 0.00 34.13 33.11 1k5g s GLU 272 CO 0.60 0.16 0.31 0.09 -0.54 0.00 0.00 175.26 175.88 1k5g n ASN 273 N -0.38 -1.26 -4.62 -1.70 3.02 -1.26 -4.79 115.26 104.27 1k5g n ASN 273 Ca -0.08 -1.27 -0.43 0.00 -0.03 0.00 0.00 54.58 52.78 1k5g n ASN 273 Cb 0.61 -1.76 -0.02 0.00 -0.61 0.00 0.00 39.78 37.99 1k5g n ASN 273 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k5g s ILE 274 N -4.00 3.82 -1.12 2.41 1.01 -1.25 -4.85 121.20 117.22 1k5g s ILE 274 Ca 0.21 0.90 0.17 0.00 0.00 0.00 0.00 60.65 61.93 1k5g s ILE 274 Cb -0.11 -3.91 0.70 0.00 0.01 0.00 0.00 42.46 39.15 1k5g s ILE 274 CO 0.98 -0.44 1.60 0.61 0.00 0.00 0.00 174.94 177.69 1k5g n GLY 275 N 4.74 2.61 3.59 6.18 0.00 -1.26 -4.41 105.19 116.63 1k5g n GLY 275 Ca 0.18 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 1k5g n GLY 275 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k5g n LEU 276 N 1.06 1.91 0.00 0.99 7.94 -1.22 -4.65 117.00 123.03 1k5g n LEU 276 Ca 0.25 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1k5g n LEU 276 Cb 0.88 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1k5g n LEU 276 CO 0.24 -1.48 -0.12 0.00 -1.11 0.00 0.00 177.39 174.92 1k5g n GLN 277 N 0.59 4.23 -3.20 1.96 6.02 0.60 -2.96 117.38 124.61 1k5g n GLN 277 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1k5g n GLN 277 Cb 0.34 -0.54 -0.02 0.00 1.02 0.00 0.00 30.24 31.04 1k5g n GLN 277 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1k5g s THR 278 N -1.03 -0.77 -0.26 5.09 -1.32 -0.50 -1.02 115.64 115.83 1k5g s THR 278 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1k5g s THR 278 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1k5g s THR 278 CO 0.00 0.00 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.17 1k5g s LEU 279 N 2.86 3.38 -0.46 9.08 2.96 -0.60 -1.53 118.68 134.38 1k5g s LEU 279 Ca 0.11 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 53.05 1k5g s LEU 279 Cb -0.13 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1k5g s LEU 279 CO -0.18 -0.15 0.37 -0.13 -1.32 0.00 0.00 176.35 174.94 1k5g s ARG 280 N 1.37 2.94 -0.17 1.98 0.52 -0.00 -2.68 118.95 122.90 1k5g s ARG 280 Ca 0.01 -1.32 0.16 0.00 -0.52 0.00 0.00 55.73 54.06 1k5g s ARG 280 Cb -0.17 -4.07 0.39 0.00 0.52 0.00 0.00 34.95 31.62 1k5g s ARG 280 CO -0.02 -0.98 1.26 1.28 0.02 0.00 0.00 175.30 176.86 1k5g n LEU 281 N 5.17 2.96 -4.23 2.53 4.77 0.66 -0.30 117.00 128.55 1k5g n LEU 281 Ca -0.12 -3.31 -0.30 0.00 -0.03 0.00 0.00 56.01 52.26 1k5g n LEU 281 Cb 0.44 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 1k5g n LEU 281 CO 0.45 0.89 -0.36 0.00 -1.33 0.00 0.00 177.39 177.05 1k5g n GLN 282 N -1.14 -2.00 -3.47 3.23 6.02 -0.56 -4.07 117.38 115.39 1k5g n GLN 282 Ca 0.20 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1k5g n GLN 282 Cb 0.75 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1k5g n GLN 282 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1k5g n TYR 283 N -4.56 0.00 -1.08 1.08 4.02 -0.95 -3.16 117.16 112.52 1k5g n TYR 283 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.98 1k5g n TYR 283 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.99 1k5g n TYR 283 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1k5g n ASN 284 N 0.86 1.82 -0.83 7.72 3.02 -1.26 -3.43 115.26 123.16 1k5g n ASN 284 Ca 0.00 -2.68 -0.11 0.00 -0.03 0.00 0.00 54.58 51.76 1k5g n ASN 284 Cb 0.00 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1k5g n ASN 284 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k5g n GLU 285 N -1.02 -1.71 -1.66 3.52 1.02 -1.26 -1.53 120.64 118.00 1k5g n GLU 285 Ca 0.11 0.87 -0.47 0.00 -0.02 0.00 0.00 57.16 57.64 1k5g n GLU 285 Cb 0.59 -5.28 -0.04 0.00 -0.02 0.00 0.00 31.44 26.68 1k5g n GLU 285 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1k5g n ILE 286 N -2.17 0.08 -3.53 -3.67 5.41 -1.26 -3.53 119.36 110.69 1k5g n ILE 286 Ca -0.11 -0.01 -0.26 0.00 1.00 0.00 0.00 62.75 63.36 1k5g n ILE 286 Cb 0.59 -1.49 -0.03 0.00 -0.71 0.00 0.00 39.64 38.00 1k5g n ILE 286 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1k5g s GLU 287 N 1.30 3.54 0.24 0.38 2.02 -1.26 -1.52 118.70 123.41 1k5g s GLU 287 Ca 0.82 -0.27 -0.14 0.00 0.02 0.00 0.00 54.97 55.40 1k5g s GLU 287 Cb -0.72 -2.74 0.31 0.00 0.10 0.00 0.00 34.13 31.08 1k5g s GLU 287 CO 0.41 0.29 1.54 -0.11 0.02 0.00 0.00 175.26 177.41 1k5g n LEU 288 N -1.06 -0.54 -0.28 1.80 -0.00 -1.24 -0.51 117.00 115.16 1k5g n LEU 288 Ca -0.04 1.72 0.23 0.00 -0.00 0.00 0.00 56.01 57.91 1k5g n LEU 288 Cb 0.55 -0.44 0.55 0.00 -0.00 0.00 0.00 43.42 44.08 1k5g n LEU 288 CO 0.48 -1.58 1.23 0.44 -0.00 0.00 0.00 177.39 177.97 1k5g h ASP 289 N 0.00 0.36 0.00 1.96 5.19 -1.94 0.34 116.42 122.33 1k5g h ASP 289 Ca 0.39 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.75 1k5g h ASP 289 Cb 0.64 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.15 1k5g h ASP 289 CO -0.99 0.11 -0.41 0.00 -3.12 0.00 0.00 179.24 174.82 1k5g h ALA 290 N 1.59 0.04 -0.11 3.45 0.00 -1.18 -2.98 119.26 120.08 1k5g h ALA 290 Ca 0.53 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1k5g h ALA 290 Cb 1.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1k5g h ALA 290 CO -0.20 0.20 0.08 0.28 0.00 0.00 0.00 179.25 179.61 1k5g h VAL 291 N -0.35 0.99 0.65 0.00 2.07 -0.56 0.39 116.25 119.44 1k5g h VAL 291 Ca -0.05 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1k5g h VAL 291 Cb 1.15 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1k5g h VAL 291 CO 0.08 0.02 -0.31 0.03 0.02 0.00 0.00 177.57 177.41 1k5g h ARG 292 N 0.09 -0.84 -0.40 1.57 2.47 -0.40 -1.83 114.38 115.04 1k5g h ARG 292 Ca 0.05 0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1k5g h ARG 292 Cb 0.09 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1k5g h ARG 292 CO -0.01 -0.54 0.11 1.15 0.56 0.00 0.00 179.97 181.25 1k5g h THR 293 N -0.92 1.22 -0.97 2.04 2.02 -1.18 -2.54 112.91 112.58 1k5g h THR 293 Ca -0.09 -0.75 0.21 0.00 0.77 0.00 0.00 66.41 66.56 1k5g h THR 293 Cb 0.68 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 67.96 1k5g h THR 293 CO 0.15 0.26 0.62 0.25 0.37 0.00 0.00 175.52 177.17 1k5g h LEU 294 N 0.50 0.54 0.35 2.58 5.85 -0.22 -1.06 115.31 123.86 1k5g h LEU 294 Ca 0.13 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1k5g h LEU 294 Cb 0.29 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1k5g h LEU 294 CO -0.00 0.18 -0.17 0.50 -0.34 0.00 0.00 178.44 178.61 1k5g h LYS 295 N 0.52 -0.46 -0.99 1.25 3.64 -0.89 0.05 116.57 119.70 1k5g h LYS 295 Ca 0.54 0.03 0.26 0.00 -1.27 0.00 0.00 60.65 60.21 1k5g h LYS 295 Cb 1.16 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.96 1k5g h LYS 295 CO -0.27 -0.31 0.57 1.79 -2.27 0.00 0.00 179.45 178.96 1k5g h THR 296 N -0.48 0.47 -0.04 1.00 1.35 -1.37 0.16 112.91 114.01 1k5g h THR 296 Ca -0.05 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1k5g h THR 296 Cb 0.37 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.71 1k5g h THR 296 CO 0.08 0.09 0.01 0.58 -0.25 0.00 0.00 175.52 176.03 1k5g h VAL 297 N 0.50 1.14 -0.89 6.82 2.07 -1.07 0.28 116.25 125.10 1k5g h VAL 297 Ca 0.66 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.89 1k5g h VAL 297 Cb 1.32 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.35 1k5g h VAL 297 CO -0.51 0.11 0.52 0.40 0.02 0.00 0.00 177.57 178.10 1k5g h ILE 298 N -0.10 0.87 0.52 4.57 2.04 0.13 0.29 117.51 125.82 1k5g h ILE 298 Ca 0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1k5g h ILE 298 Cb 0.17 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1k5g h ILE 298 CO -0.00 0.15 -0.25 -0.78 0.00 0.00 0.00 178.15 177.27 1k5g h ASP 299 N 0.81 -0.59 0.04 1.72 3.58 -0.39 -2.23 116.42 119.35 1k5g h ASP 299 Ca 0.45 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 1k5g h ASP 299 Cb 0.48 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1k5g h ASP 299 CO -0.28 -0.30 -0.02 -0.33 -2.88 0.00 0.00 179.24 175.43 1k5g h GLU 300 N -0.95 -0.05 -0.02 0.28 5.08 -0.33 -3.39 114.58 115.21 1k5g h GLU 300 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k5g h GLU 300 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1k5g h GLU 300 CO 0.12 0.26 -0.09 1.63 -1.00 0.00 0.00 179.01 179.93 1k5g n LYS 301 N -4.97 1.40 -2.84 2.33 5.02 0.10 -4.71 118.16 114.49 1k5g n LYS 301 Ca -0.08 -1.28 -0.28 0.00 -2.02 0.00 0.00 58.31 54.66 1k5g n LYS 301 Cb 0.18 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1k5g n LYS 301 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1k5g n MET 302 N 0.61 3.35 0.32 1.97 2.81 -0.84 -3.94 117.12 121.41 1k5g n MET 302 Ca 0.09 -4.79 0.13 0.00 -1.81 0.00 0.00 57.70 51.32 1k5g n MET 302 Cb 0.38 -2.25 0.68 0.00 -0.71 0.00 0.00 33.22 31.33 1k5g n MET 302 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1k5g h PRO 303 N 2.95 0.00 -0.13 0.03 0.13 -1.77 -2.36 132.00 130.86 1k5g h PRO 303 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1k5g h PRO 303 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1k5g h PRO 303 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 1k5g n ASP 304 N -2.86 2.85 -4.68 1.44 8.00 -1.26 -4.98 116.55 115.06 1k5g n ASP 304 Ca -0.01 -1.87 -0.47 0.00 0.71 0.00 0.00 54.79 53.15 1k5g n ASP 304 Cb 0.50 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1k5g n ASP 304 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1k5g n LEU 305 N 1.17 3.42 -0.02 0.64 7.94 -0.89 -4.51 117.00 124.75 1k5g n LEU 305 Ca 0.13 1.00 0.01 0.00 -1.11 0.00 0.00 56.01 56.04 1k5g n LEU 305 Cb 0.52 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 43.01 1k5g n LEU 305 CO 0.13 -0.09 -0.65 0.18 -1.11 0.00 0.00 177.39 175.85 1k5g n LEU 306 N 5.81 0.00 -3.92 -1.96 4.77 -0.19 -4.37 117.00 117.15 1k5g n LEU 306 Ca 0.21 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 1k5g n LEU 306 Cb 0.30 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1k5g n LEU 306 CO 0.70 0.08 -0.39 -0.36 -1.33 0.00 0.00 177.39 176.08 1k5g s PHE 307 N -2.37 0.43 0.10 -1.77 0.40 -1.14 -2.75 117.98 110.88 1k5g s PHE 307 Ca -0.03 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1k5g s PHE 307 Cb 0.04 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 1k5g s PHE 307 CO 0.30 -0.05 -0.09 -1.17 0.70 0.00 0.00 175.22 174.91 1k5g s LEU 308 N 0.22 2.44 -0.27 -0.37 2.96 -0.77 -1.55 118.68 121.34 1k5g s LEU 308 Ca -0.02 -0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 53.01 1k5g s LEU 308 Cb -0.06 -0.26 0.15 0.00 0.50 0.00 0.00 46.19 46.52 1k5g s LEU 308 CO -0.00 -0.31 0.43 -1.61 -1.32 0.00 0.00 176.35 173.54 1k5g s GLU 309 N -3.07 0.41 0.00 1.98 2.02 -1.09 -2.97 118.70 115.98 1k5g s GLU 309 Ca 0.08 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.57 1k5g s GLU 309 Cb -0.01 -0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.00 1k5g s GLU 309 CO -0.01 -0.77 0.38 1.28 0.02 0.00 0.00 175.26 176.16 1k5g n LEU 310 N 5.37 0.76 -4.60 1.80 4.77 -1.26 -0.25 117.00 123.60 1k5g n LEU 310 Ca -0.02 -0.85 -0.51 0.00 -0.03 0.00 0.00 56.01 54.60 1k5g n LEU 310 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1k5g n LEU 310 CO 0.03 0.18 0.92 -3.20 -1.33 0.00 0.00 177.39 173.99 1k5g n ASN 311 N -0.27 1.78 0.00 -1.43 5.15 -1.26 -2.67 115.26 116.56 1k5g n ASN 311 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1k5g n ASN 311 Cb 0.02 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 1k5g n ASN 311 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k5g n GLY 312 N 2.57 0.32 0.00 8.20 0.00 -1.26 -2.23 105.19 112.80 1k5g n GLY 312 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1k5g n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k5g n ASN 313 N 0.00 0.00 -3.78 1.61 3.02 -1.09 -3.38 115.26 111.64 1k5g n ASN 313 Ca 0.00 -0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 1k5g n ASN 313 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1k5g n ASN 313 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k5g n ARG 314 N -0.56 4.84 -3.64 3.52 1.74 -0.57 -0.25 116.66 121.75 1k5g n ARG 314 Ca 0.00 -4.62 -0.08 0.00 -0.77 0.00 0.00 57.85 52.37 1k5g n ARG 314 Cb 0.00 -2.47 -0.07 0.00 -1.02 0.00 0.00 32.46 28.90 1k5g n ARG 314 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1k5g s PHE 315 N -3.54 -0.90 0.31 -1.55 -0.12 -1.26 -3.63 117.98 107.30 1k5g s PHE 315 Ca 0.36 1.90 -0.29 0.00 -0.05 0.00 0.00 56.93 58.85 1k5g s PHE 315 Cb 0.13 0.49 -0.13 0.00 -0.63 0.00 0.00 43.02 42.88 1k5g s PHE 315 CO -0.01 -0.44 1.25 0.45 -0.05 0.00 0.00 175.22 176.41 1k5g n SER 316 N 3.70 2.43 0.22 1.98 2.88 -1.26 -4.86 113.62 118.72 1k5g n SER 316 Ca -0.18 1.19 0.15 0.00 -1.33 0.00 0.00 58.87 58.71 1k5g n SER 316 Cb 0.58 -1.43 0.79 0.00 -0.75 0.00 0.00 64.21 63.40 1k5g n SER 316 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1k5g h GLU 317 N 2.68 0.00 0.00 -1.46 4.22 -1.99 -2.83 114.58 115.20 1k5g h GLU 317 Ca -0.44 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.98 1k5g h GLU 317 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1k5g h GLU 317 CO 0.64 0.00 -0.13 0.93 -2.18 0.00 0.00 179.01 178.27 1k5g h GLU 318 N 0.00 0.00 0.00 1.92 4.39 -1.97 -3.47 114.58 115.45 1k5g h GLU 318 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k5g h GLU 318 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1k5g h GLU 318 CO 0.00 0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 178.07 1k5g n ASP 319 N -4.67 0.00 -0.30 1.42 10.43 -1.07 -4.72 116.55 117.64 1k5g n ASP 319 Ca -0.07 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.21 1k5g n ASP 319 Cb 0.26 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.15 1k5g n ASP 319 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1k5g n ASP 320 N 0.00 -0.74 -0.26 -2.24 8.00 -1.26 -1.90 116.55 118.14 1k5g n ASP 320 Ca 0.00 1.30 0.17 0.00 0.71 0.00 0.00 54.79 56.97 1k5g n ASP 320 Cb 0.00 -0.19 0.32 0.00 -0.02 0.00 0.00 41.12 41.23 1k5g n ASP 320 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1k5g n VAL 321 N -4.80 -0.32 0.02 2.53 0.24 -1.26 -1.41 118.33 113.32 1k5g n VAL 321 Ca 0.01 1.63 -0.04 0.00 -2.04 0.00 0.00 64.34 63.90 1k5g n VAL 321 Cb 0.18 -2.49 -0.03 0.00 -1.47 0.00 0.00 33.84 30.03 1k5g n VAL 321 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1k5g h VAL 322 N 0.00 0.00 -0.97 3.34 2.07 -1.66 0.20 116.25 119.22 1k5g h VAL 322 Ca 0.54 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.25 1k5g h VAL 322 Cb 1.27 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 1k5g h VAL 322 CO -0.67 0.00 0.57 0.44 0.02 0.00 0.00 177.57 177.93 1k5g h ASP 323 N -0.18 0.72 -0.73 0.57 3.32 -1.42 0.20 116.42 118.90 1k5g h ASP 323 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1k5g h ASP 323 Cb 0.20 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1k5g h ASP 323 CO -0.10 0.25 0.48 -0.33 -1.72 0.00 0.00 179.24 177.82 1k5g h GLU 324 N 0.72 0.89 0.11 3.56 5.08 -0.93 0.59 114.58 124.60 1k5g h GLU 324 Ca 0.56 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1k5g h GLU 324 Cb 0.88 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1k5g h GLU 324 CO -0.39 0.59 -0.05 0.82 -1.00 0.00 0.00 179.01 178.98 1k5g h ILE 325 N 0.92 1.08 -0.89 3.13 2.04 0.23 -1.89 117.51 122.13 1k5g h ILE 325 Ca 0.28 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 65.08 1k5g h ILE 325 Cb -0.01 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1k5g h ILE 325 CO -0.07 0.27 0.57 0.03 0.00 0.00 0.00 178.15 178.95 1k5g h ARG 326 N -0.75 0.68 -0.41 2.37 2.47 -0.67 0.45 114.38 118.52 1k5g h ARG 326 Ca -0.01 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1k5g h ARG 326 Cb 0.55 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1k5g h ARG 326 CO 0.02 0.45 0.13 1.49 0.56 0.00 0.00 179.97 182.62 1k5g h GLU 327 N 0.70 0.64 -0.69 0.04 4.22 0.24 -2.45 114.58 117.28 1k5g h GLU 327 Ca 0.45 -0.14 0.10 0.00 0.08 0.00 0.00 59.36 59.85 1k5g h GLU 327 Cb 0.71 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1k5g h GLU 327 CO -0.21 0.64 0.32 0.28 -2.18 0.00 0.00 179.01 177.86 1k5g h VAL 328 N 0.53 0.81 -0.11 0.32 2.07 -0.06 -0.65 116.25 119.16 1k5g h VAL 328 Ca 0.13 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1k5g h VAL 328 Cb 0.26 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1k5g h VAL 328 CO -0.00 0.10 -0.44 -0.26 0.02 0.00 0.00 177.57 176.99 1k5g h PHE 329 N 0.54 0.32 0.40 1.57 0.05 -1.39 -2.73 116.94 115.71 1k5g h PHE 329 Ca 0.35 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 62.03 1k5g h PHE 329 Cb 0.39 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.28 1k5g h PHE 329 CO -0.13 0.66 -0.19 0.77 -0.18 0.00 0.00 178.31 179.24 1k5g h SER 330 N 0.22 -0.46 -0.73 2.17 0.02 -0.67 0.32 113.55 114.42 1k5g h SER 330 Ca 0.02 -0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1k5g h SER 330 Cb 0.86 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 1k5g h SER 330 CO 0.07 -0.22 0.48 0.74 -1.14 0.00 0.00 176.83 176.76 1k5g h THR 331 N -0.68 0.90 0.04 -2.27 2.02 -1.25 -1.67 112.91 110.01 1k5g h THR 331 Ca -0.06 -0.20 -0.24 0.00 0.77 0.00 0.00 66.41 66.69 1k5g h THR 331 Cb 0.49 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1k5g h THR 331 CO 0.09 0.10 -1.03 0.03 0.37 0.00 0.00 175.52 175.08 1k5g h ARG 332 N 0.57 0.36 0.00 6.66 3.08 -1.25 -3.47 114.38 120.33 1k5g h ARG 332 Ca 0.34 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1k5g h ARG 332 Cb 0.56 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1k5g h ARG 332 CO -0.12 1.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 1k5g n GLY 333 N 1.12 1.04 2.68 0.04 0.00 0.11 -5.00 105.19 105.19 1k5g n GLY 333 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1k5g n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k5g s ARG 334 N -0.53 -0.04 0.00 1.61 3.52 -1.05 -5.00 118.95 117.46 1k5g s ARG 334 Ca 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1k5g s ARG 334 Cb 0.00 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 1k5g s ARG 334 CO 0.00 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1k5g n GLY 335 N 5.30 -0.39 0.00 8.12 0.00 -1.26 -4.68 105.19 112.28 1k5g n GLY 335 Ca -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1k5g n GLY 335 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k5g n GLU 336 N -0.87 0.00 -3.24 1.61 2.13 -1.11 -4.91 120.64 114.24 1k5g n GLU 336 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1k5g n GLU 336 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1k5g n GLU 336 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1k5g s LEU 337 N 0.00 4.07 0.86 4.31 2.96 -1.26 -1.85 118.68 127.76 1k5g s LEU 337 Ca 0.00 1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 54.80 1k5g s LEU 337 Cb 0.00 -3.80 0.15 0.00 0.50 0.00 0.00 46.19 43.05 1k5g s LEU 337 CO 0.00 -0.18 1.19 1.51 -1.32 0.00 0.00 176.35 177.55 1k5g s ASP 338 N -2.63 3.74 -0.25 3.68 -4.77 -1.16 -4.94 116.67 110.35 1k5g s ASP 338 Ca 0.49 0.19 -0.26 0.00 -3.30 0.00 0.00 52.55 49.67 1k5g s ASP 338 Cb -0.11 -0.42 -0.00 0.00 -1.09 0.00 0.00 42.92 41.30 1k5g s ASP 338 CO 0.24 -2.31 0.88 -1.61 0.70 0.00 0.00 175.17 173.06 1k5g s GLU 339 N -5.61 4.18 -0.72 2.11 0.41 -1.26 -4.90 118.70 112.91 1k5g s GLU 339 Ca 0.69 1.01 -0.05 0.00 -0.41 0.00 0.00 54.97 56.21 1k5g s GLU 339 Cb -0.06 -3.65 -0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1k5g s GLU 339 CO 0.50 -0.57 2.86 1.28 -0.49 0.00 0.00 175.26 178.83 1k5g n LEU 340 N 6.13 6.90 -1.33 1.80 4.77 -1.26 -4.72 117.00 129.29 1k5g n LEU 340 Ca 0.07 -4.15 -0.06 0.00 -0.03 0.00 0.00 56.01 51.84 1k5g n LEU 340 Cb 0.47 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.27 1k5g n LEU 340 CO 0.49 1.85 0.72 -0.90 -1.33 0.00 0.00 177.39 178.23 1k5g n ASP 341 N 1.71 3.36 -0.75 -1.43 5.68 -1.26 -4.18 116.55 119.68 1k5g n ASP 341 Ca 0.55 -2.42 -0.04 0.00 -0.50 0.00 0.00 54.79 52.38 1k5g n ASP 341 Cb 0.51 -0.62 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 1k5g n ASP 341 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1k5g n ASP 342 N 0.14 -0.51 -4.45 -1.12 2.03 -1.26 -5.05 116.55 106.32 1k5g n ASP 342 Ca 0.15 -1.47 -0.44 0.00 0.52 0.00 0.00 54.79 53.55 1k5g n ASP 342 Cb 0.78 0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 41.32 1k5g n ASP 342 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1k5g n MET 343 N 0.00 0.50 -1.57 -0.67 2.81 -1.26 -4.37 117.12 112.57 1k5g n MET 343 Ca -0.14 0.18 -0.31 0.00 -1.81 0.00 0.00 57.70 55.61 1k5g n MET 343 Cb 0.59 -1.37 0.05 0.00 -0.71 0.00 0.00 33.22 31.78 1k5g n MET 343 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1k5g s GLU 344 N -1.33 2.88 0.00 0.03 2.12 0.65 -4.94 118.70 118.11 1k5g s GLU 344 Ca 0.62 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.95 1k5g s GLU 344 Cb -0.72 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1k5g s GLU 344 CO 0.58 -1.15 0.00 0.39 -0.54 0.00 0.00 175.26 174.55