#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 3.01 -0.11 0.00 3.52 -1.26 0.59 118.95 124.70 1k5g s ARG 3 Ca 0.00 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.76 1k5g s ARG 3 Cb 0.00 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1k5g s ARG 3 CO 0.00 -0.13 -0.09 0.12 -0.81 0.00 0.00 175.30 174.39 1k5g s PHE 4 N 1.11 2.90 -0.23 5.12 5.36 -0.25 -5.01 117.98 126.98 1k5g s PHE 4 Ca 0.00 -0.27 -0.24 0.00 -0.96 0.00 0.00 56.93 55.46 1k5g s PHE 4 Cb -0.14 -1.81 0.06 0.00 -0.34 0.00 0.00 43.02 40.80 1k5g s PHE 4 CO -0.09 0.06 0.66 0.45 -1.46 0.00 0.00 175.22 174.85 1k5g s SER 5 N -0.15 -0.69 -0.13 6.13 0.15 -1.26 -0.80 113.70 116.96 1k5g s SER 5 Ca 0.01 1.28 0.15 0.00 0.70 0.00 0.00 55.95 58.10 1k5g s SER 5 Cb -0.13 1.29 0.38 0.00 -1.71 0.00 0.00 66.02 65.85 1k5g s SER 5 CO 0.03 -0.26 1.18 2.30 1.20 0.00 0.00 173.24 177.69 1k5g n ILE 6 N 2.57 1.41 -1.65 6.45 -5.35 -0.95 -4.99 119.36 116.85 1k5g n ILE 6 Ca -0.14 -2.28 -0.54 0.00 -0.27 0.00 0.00 62.75 59.52 1k5g n ILE 6 Cb 0.55 0.15 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 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 -0.64 1.27 -0.75 6.28 2.13 -1.25 -1.85 120.64 125.83 1k5g n GLU 7 Ca 0.14 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1k5g n GLU 7 Cb 0.81 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 3.35 0.33 0.00 8.31 0.00 -0.92 -4.83 105.19 111.44 1k5g n GLY 8 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.68 0.39 -4.14 1.61 5.02 -0.77 -4.84 118.16 113.74 1k5g n LYS 9 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1k5g n LYS 9 Cb 0.07 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -0.90 -0.91 -4.77 4.39 7.64 -0.53 -4.90 113.62 113.64 1k5g n SER 10 Ca 0.07 -1.20 -0.38 0.00 1.01 0.00 0.00 58.87 58.37 1k5g n SER 10 Cb 0.03 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 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 -7.18 4.38 -1.24 -3.43 1.43 -1.24 -4.96 118.68 106.44 1k5g s LEU 11 Ca 0.18 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1k5g s LEU 11 Cb -0.10 -2.68 0.17 0.00 0.03 0.00 0.00 46.19 43.61 1k5g s LEU 11 CO 0.92 0.15 1.63 1.17 0.23 0.00 0.00 176.35 180.44 1k5g n LYS 12 N 2.80 3.50 -2.55 1.70 4.81 -1.26 -1.17 118.16 125.99 1k5g n LYS 12 Ca -0.10 -3.73 -0.41 0.00 -0.87 0.00 0.00 58.31 53.21 1k5g n LYS 12 Cb 0.52 -2.98 -0.03 0.00 0.02 0.00 0.00 35.03 32.56 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 0.71 3.42 -0.18 3.14 1.43 -0.53 -4.83 118.68 121.84 1k5g s LEU 13 Ca 0.41 -1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1k5g s LEU 13 Cb 0.03 -2.57 -0.22 0.00 0.03 0.00 0.00 46.19 43.46 1k5g s LEU 13 CO 0.00 -1.61 0.43 0.44 0.23 0.00 0.00 176.35 175.85 1k5g h ASP 14 N 9.90 0.04 0.00 2.29 3.32 -1.92 0.01 116.42 130.05 1k5g h ASP 14 Ca 0.10 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1k5g h ASP 14 Cb 1.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1k5g h ASP 14 CO 1.39 1.34 -0.64 0.00 -1.72 0.00 0.00 179.24 179.61 1k5g n ALA 15 N -3.11 3.00 -2.12 3.45 0.00 -1.26 -1.73 120.51 118.73 1k5g n ALA 15 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.17 1k5g n ALA 15 Cb 0.64 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.17 -6.03 0.00 0.00 5.41 -1.26 -3.13 119.36 111.17 1k5g n ILE 16 Ca 0.00 0.35 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1k5g n ILE 16 Cb 0.32 -5.45 0.00 0.00 -0.71 0.00 0.00 39.64 33.80 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 -0.52 0.00 -1.21 1.39 -2.24 -1.26 -4.90 114.28 105.53 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 0.24 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.75 1.99 0.10 4.28 -1.32 -1.26 -4.94 115.64 113.74 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 -2.53 -0.11 0.00 -1.51 0.00 0.00 72.50 68.35 1k5g s THR 18 CO 0.00 0.00 1.65 -0.08 -2.21 0.00 0.00 174.62 173.98 1k5g h GLU 19 N -1.91 -0.49 0.00 7.08 4.22 -2.00 -3.27 114.58 118.21 1k5g h GLU 19 Ca -0.54 0.03 -0.16 0.00 0.08 0.00 0.00 59.36 58.77 1k5g h GLU 19 Cb 1.33 0.11 0.08 0.00 0.50 0.00 0.00 28.75 30.78 1k5g h GLU 19 CO 0.58 -0.33 0.05 -0.25 -2.18 0.00 0.00 179.01 176.88 1k5g n ASP 20 N -5.37 -1.42 0.00 1.04 9.92 -1.26 -2.70 116.55 116.76 1k5g n ASP 20 Ca -0.08 -0.78 0.00 0.00 -0.53 0.00 0.00 54.79 53.40 1k5g n ASP 20 Cb 0.28 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 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 -2.84 0.00 0.09 -1.24 1.02 -1.26 -4.05 120.64 112.35 1k5g n GLU 21 Ca 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1k5g n GLU 21 Cb 0.24 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.15 -0.47 3.49 1.57 -1.60 -3.06 116.57 116.65 1k5g h LYS 22 Ca 0.00 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1k5g h LYS 22 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1k5g h LYS 22 CO 0.00 0.98 0.23 0.66 -0.57 0.00 0.00 179.45 180.75 1k5g h SER 23 N 0.07 0.59 -0.63 0.86 4.64 -1.65 -2.08 113.55 115.35 1k5g h SER 23 Ca -0.05 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1k5g h SER 23 Cb 1.60 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.48 1k5g h SER 23 CO 0.14 0.50 0.32 0.58 -0.87 0.00 0.00 176.83 177.50 1k5g h VAL 24 N 0.66 0.92 -0.88 0.95 2.07 -1.86 -1.65 116.25 116.47 1k5g h VAL 24 Ca 0.17 -0.20 -0.54 0.00 0.82 0.00 0.00 66.70 66.94 1k5g h VAL 24 Cb 0.07 0.28 -0.26 0.00 -1.52 0.00 0.00 31.29 29.86 1k5g h VAL 24 CO -0.02 0.11 0.70 0.49 0.02 0.00 0.00 177.57 178.86 1k5g n PHE 25 N -4.85 2.79 0.18 1.57 3.01 -0.80 -4.51 117.46 114.85 1k5g n PHE 25 Ca 0.08 -2.38 -0.11 0.00 1.01 0.00 0.00 57.45 56.05 1k5g n PHE 25 Cb 0.19 -1.16 -0.06 0.00 -0.01 0.00 0.00 39.48 38.44 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 1.60 -0.52 -0.29 4.37 0.00 -1.08 -2.25 119.26 121.08 1k5g h ALA 26 Ca 0.54 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1k5g h ALA 26 Cb 1.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1k5g h ALA 26 CO 1.24 -0.53 0.75 0.28 0.00 0.00 0.00 179.25 180.99 1k5g h VAL 27 N -1.04 0.07 0.02 0.00 2.07 -1.80 0.54 116.25 116.10 1k5g h VAL 27 Ca -0.05 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1k5g h VAL 27 Cb 0.51 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1k5g h VAL 27 CO 0.09 0.00 -0.38 0.25 0.02 0.00 0.00 177.57 177.54 1k5g h LEU 28 N 0.00 0.08 -0.05 2.57 7.12 -1.81 -3.23 115.31 119.99 1k5g h LEU 28 Ca 0.14 -0.90 -0.00 0.00 0.13 0.00 0.00 57.88 57.24 1k5g h LEU 28 Cb 1.63 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1k5g h LEU 28 CO -0.00 1.16 0.02 -0.07 -0.13 0.00 0.00 178.44 179.43 1k5g h LEU 29 N -0.89 0.06 0.11 2.25 3.38 0.62 -3.34 115.31 117.50 1k5g h LEU 29 Ca -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1k5g h LEU 29 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1k5g h LEU 29 CO -0.01 0.14 -0.05 1.05 0.09 0.00 0.00 178.44 179.65 1k5g h GLU 30 N -0.02 -0.14 -6.01 1.13 4.11 -1.43 -3.42 114.58 108.79 1k5g h GLU 30 Ca 0.02 0.01 -0.61 0.00 0.07 0.00 0.00 59.36 58.85 1k5g h GLU 30 Cb 0.09 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 1k5g h GLU 30 CO -0.00 0.22 0.51 0.34 0.07 0.00 0.00 179.01 180.15 1k5g s ASP 31 N -5.41 6.53 0.00 3.06 -1.08 -1.22 -4.89 116.67 113.66 1k5g s ASP 31 Ca -0.15 0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.35 1k5g s ASP 31 Cb 0.02 -2.43 0.32 0.00 -1.46 0.00 0.00 42.92 39.37 1k5g s ASP 31 CO 0.62 -0.93 1.28 0.47 0.52 0.00 0.00 175.17 177.13 1k5g n ASP 32 N 6.87 0.79 -2.69 -0.34 8.00 -1.26 -4.30 116.55 123.62 1k5g n ASP 32 Ca 0.05 -0.61 -0.33 0.00 0.71 0.00 0.00 54.79 54.61 1k5g n ASP 32 Cb 0.48 0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 42.02 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 -1.30 7.00 -4.84 -2.24 2.88 -1.26 -4.32 113.62 109.52 1k5g n SER 33 Ca 0.06 -3.52 -0.37 0.00 -1.33 0.00 0.00 58.87 53.71 1k5g n SER 33 Cb 0.34 -1.15 -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 -3.63 5.07 -0.15 2.46 1.01 -1.26 -4.61 120.40 119.28 1k5g s VAL 34 Ca 0.55 0.73 0.10 0.00 0.00 0.00 0.00 61.98 63.36 1k5g s VAL 34 Cb 0.41 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.95 1k5g s VAL 34 CO -0.31 0.53 -0.01 0.29 0.00 0.00 0.00 175.10 175.59 1k5g n LYS 35 N 1.65 1.37 -4.33 2.72 5.02 0.20 -2.21 118.16 122.57 1k5g n LYS 35 Ca -0.13 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 1k5g n LYS 35 Cb 0.52 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.14 -0.13 1.97 2.12 -1.01 0.18 118.70 120.63 1k5g s GLU 36 Ca -0.12 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.02 1k5g s GLU 36 Cb 0.05 -1.03 0.00 0.00 0.26 0.00 0.00 34.13 33.41 1k5g s GLU 36 CO 0.53 -0.03 -0.22 0.42 -0.54 0.00 0.00 175.26 175.43 1k5g s ILE 37 N 0.78 2.17 -0.15 -3.70 1.01 -0.44 -1.09 121.20 119.78 1k5g s ILE 37 Ca -0.13 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1k5g s ILE 37 Cb -0.15 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1k5g s ILE 37 CO 0.02 0.55 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1k5g s VAL 38 N 0.62 1.93 -0.22 2.92 1.01 0.02 -0.64 120.40 126.04 1k5g s VAL 38 Ca -0.11 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1k5g s VAL 38 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1k5g s VAL 38 CO 0.03 0.52 0.20 0.18 0.00 0.00 0.00 175.10 176.03 1k5g n LEU 39 N 4.33 0.28 -4.27 3.92 4.77 -0.43 -2.24 117.00 123.36 1k5g n LEU 39 Ca -0.20 -0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 54.85 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 0.26 0.07 -0.57 -1.20 -1.33 0.00 0.00 177.39 174.61 1k5g n SER 40 N -0.99 -3.40 -0.23 -1.43 7.64 -1.24 -3.62 113.62 110.35 1k5g n SER 40 Ca 0.01 0.67 -0.02 0.00 1.01 0.00 0.00 58.87 60.54 1k5g n SER 40 Cb 0.07 -0.88 -0.00 0.00 -1.01 0.00 0.00 64.21 62.39 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 2.43 0.31 3.34 0.23 0.00 0.13 -2.16 105.19 109.47 1k5g n GLY 41 Ca 0.08 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.91 0.03 -0.36 1.61 0.01 -1.24 -1.46 114.94 110.62 1k5g s ASN 42 Ca 0.00 -0.84 -0.06 0.00 -0.71 0.00 0.00 52.86 51.25 1k5g s ASN 42 Cb 0.00 0.44 0.06 0.00 0.41 0.00 0.00 41.25 42.16 1k5g s ASN 42 CO 0.00 -0.89 0.14 0.42 -1.51 0.00 0.00 177.10 175.26 1k5g s THR 43 N -3.96 3.68 -0.30 1.60 -4.23 -0.32 -3.50 115.64 108.61 1k5g s THR 43 Ca 0.16 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 1k5g s THR 43 Cb 0.03 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 1k5g s THR 43 CO -0.01 -0.32 0.45 -0.63 -0.54 0.00 0.00 174.62 173.57 1k5g s ILE 44 N 1.34 5.10 0.86 2.99 1.01 0.31 -1.46 121.20 131.35 1k5g s ILE 44 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 60.65 61.06 1k5g s ILE 44 Cb -0.21 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.56 1k5g s ILE 44 CO 0.01 0.01 1.22 -0.83 0.00 0.00 0.00 174.94 175.34 1k5g s GLY 45 N 1.66 1.65 0.12 6.18 0.00 -0.01 -4.81 107.32 112.10 1k5g s GLY 45 Ca 0.17 -0.81 -0.16 0.00 0.00 0.00 0.00 44.72 43.92 1k5g s GLY 45 CO 0.11 -0.23 1.64 -0.91 0.00 0.00 0.00 173.10 173.70 1k5g h THR 46 N -1.26 1.21 -0.20 0.90 1.35 -1.81 0.16 112.91 113.26 1k5g h THR 46 Ca -0.46 -0.70 0.05 0.00 -0.55 0.00 0.00 66.41 64.75 1k5g h THR 46 Cb 1.30 0.98 -0.05 0.00 -1.73 0.00 0.00 68.15 68.65 1k5g h THR 46 CO 0.57 0.24 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.63 1k5g h GLU 47 N 0.44 -0.11 -0.16 4.72 4.39 -1.90 0.44 114.58 122.40 1k5g h GLU 47 Ca 0.12 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1k5g h GLU 47 Cb 0.26 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1k5g h GLU 47 CO -0.00 -0.08 -0.21 0.00 -1.16 0.00 0.00 179.01 177.56 1k5g h ALA 48 N 1.03 1.34 -0.89 3.43 0.00 -1.27 -1.68 119.26 121.22 1k5g h ALA 48 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k5g h ALA 48 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1k5g h ALA 48 CO -0.27 0.45 0.50 0.00 0.00 0.00 0.00 179.25 179.93 1k5g h ALA 49 N 1.53 1.14 0.32 0.00 0.00 0.15 0.03 119.26 122.42 1k5g h ALA 49 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1k5g h ALA 49 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k5g h ALA 49 CO 0.04 0.64 -0.15 -0.09 0.00 0.00 0.00 179.25 179.68 1k5g h ARG 50 N 1.24 -0.41 -0.05 0.00 2.43 0.65 -0.43 114.38 117.81 1k5g h ARG 50 Ca 0.31 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1k5g h ARG 50 Cb 0.01 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1k5g h ARG 50 CO -0.05 -0.25 0.01 2.35 -1.51 0.00 0.00 179.97 180.51 1k5g h TRP 51 N -0.45 0.06 0.00 2.20 7.01 -1.06 -1.37 115.95 122.34 1k5g h TRP 51 Ca -0.04 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 1k5g h TRP 51 Cb 0.34 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1k5g h TRP 51 CO -0.05 0.06 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.23 1k5g h LEU 52 N 0.07 0.00 0.07 0.65 3.38 -0.69 -3.11 115.31 115.67 1k5g h LEU 52 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k5g h LEU 52 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1k5g h LEU 52 CO -0.00 0.06 -0.03 0.28 0.09 0.00 0.00 178.44 178.84 1k5g h SER 53 N 0.00 -0.08 -0.72 -0.43 0.02 0.05 -2.45 113.55 109.94 1k5g h SER 53 Ca -0.01 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1k5g h SER 53 Cb 1.05 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 1k5g h SER 53 CO 0.01 0.35 0.37 -0.33 -1.14 0.00 0.00 176.83 176.10 1k5g h GLU 54 N -0.53 0.62 -0.06 3.45 5.08 -1.57 -1.04 114.58 120.54 1k5g h GLU 54 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1k5g h GLU 54 Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1k5g h GLU 54 CO 0.02 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 1k5g n ASN 55 N -4.84 0.43 -0.06 1.42 3.02 -1.17 -3.64 115.26 110.41 1k5g n ASN 55 Ca 0.11 -1.74 -0.07 0.00 -0.03 0.00 0.00 54.58 52.85 1k5g n ASN 55 Cb 0.26 -0.04 -0.07 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.39 0.75 -0.21 2.41 5.41 -0.44 -4.51 119.36 122.39 1k5g n ILE 56 Ca 0.09 -0.37 0.08 0.00 1.00 0.00 0.00 62.75 63.54 1k5g n ILE 56 Cb 0.10 -0.85 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 0.26 1.73 -0.05 -1.39 0.00 -1.51 -1.14 119.26 117.16 1k5g h ALA 57 Ca -0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1k5g h ALA 57 Cb 1.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1k5g h ALA 57 CO -0.02 0.12 -0.12 0.66 0.00 0.00 0.00 179.25 179.89 1k5g h SER 58 N 0.75 0.07 -0.69 0.00 4.64 -1.79 -3.35 113.55 113.18 1k5g h SER 58 Ca 0.35 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 61.11 1k5g h SER 58 Cb 0.38 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 1k5g h SER 58 CO -0.13 0.20 1.82 0.29 -0.87 0.00 0.00 176.83 178.14 1k5g n LYS 59 N -4.35 2.59 0.06 4.77 4.76 -0.43 -4.75 118.16 120.81 1k5g n LYS 59 Ca -0.02 -2.95 0.11 0.00 -2.87 0.00 0.00 58.31 52.57 1k5g n LYS 59 Cb 0.22 -3.57 0.43 0.00 -1.84 0.00 0.00 35.03 30.27 1k5g n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1k5g n LYS 60 N 8.28 0.10 -0.31 1.97 4.76 -1.26 -2.61 118.16 129.10 1k5g n LYS 60 Ca 0.48 0.26 0.10 0.00 -2.87 0.00 0.00 58.31 56.28 1k5g n LYS 60 Cb 0.46 -1.67 0.27 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.86 3.27 -4.70 4.39 8.00 -1.26 -4.30 116.55 120.09 1k5g n ASP 61 Ca 0.04 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.11 1k5g n ASP 61 Cb 0.25 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.29 3.61 0.00 0.64 7.94 -0.94 -4.30 117.00 125.25 1k5g n LEU 62 Ca 0.20 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.27 1k5g n LEU 62 Cb 0.52 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1k5g n LEU 62 CO 0.14 -0.30 -0.43 -0.62 -1.11 0.00 0.00 177.39 175.07 1k5g n GLU 63 N 1.56 2.52 -4.39 1.96 1.02 0.46 -2.16 120.64 121.61 1k5g n GLU 63 Ca 0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.02 1k5g n GLU 63 Cb 0.34 -0.93 -0.16 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.86 0.80 -0.31 -3.67 1.01 0.62 -2.41 121.20 115.38 1k5g s ILE 64 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1k5g s ILE 64 Cb 0.00 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 41.84 1k5g s ILE 64 CO 0.00 0.25 0.01 0.00 0.00 0.00 0.00 174.94 175.21 1k5g s ALA 65 N 0.30 2.52 -0.85 9.38 0.00 -0.38 -1.33 121.76 131.40 1k5g s ALA 65 Ca -0.05 -2.10 -0.18 0.00 0.00 0.00 0.00 51.96 49.63 1k5g s ALA 65 Cb -0.10 -1.77 0.15 0.00 0.00 0.00 0.00 23.12 21.40 1k5g s ALA 65 CO 0.01 -1.52 0.97 -2.00 0.00 0.00 0.00 175.76 173.22 1k5g s GLU 66 N 1.11 3.51 -0.13 0.00 -6.30 0.18 -0.33 118.70 116.74 1k5g s GLU 66 Ca 0.05 -1.85 0.15 0.00 -2.50 0.00 0.00 54.97 50.82 1k5g s GLU 66 Cb -0.19 -4.68 0.54 0.00 0.00 0.00 0.00 34.13 29.80 1k5g s GLU 66 CO -0.09 -1.62 1.45 1.19 0.02 0.00 0.00 175.26 176.21 1k5g n PHE 67 N 5.89 1.03 -2.00 5.30 0.99 0.68 -1.31 117.46 128.05 1k5g n PHE 67 Ca 0.16 -0.73 -0.38 0.00 -0.00 0.00 0.00 57.45 56.50 1k5g n PHE 67 Cb 0.48 -0.25 0.01 0.00 -1.00 0.00 0.00 39.48 38.72 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 -1.43 5.78 -0.31 4.37 0.01 -0.89 -4.09 113.70 117.14 1k5g s SER 68 Ca 0.40 2.59 -0.20 0.00 1.31 0.00 0.00 55.95 60.05 1k5g s SER 68 Cb 0.29 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1k5g s SER 68 CO 0.14 -1.21 0.40 -0.67 0.41 0.00 0.00 173.24 172.31 1k5g n ASP 69 N -0.62 -6.60 0.00 2.44 2.03 0.47 -3.70 116.55 110.56 1k5g n ASP 69 Ca 0.08 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1k5g n ASP 69 Cb 0.46 -2.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.99 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 0.29 0.00 -0.18 5.18 -5.35 -1.25 -0.70 119.36 117.35 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 1.65 0.00 0.00 -1.74 0.00 0.00 39.64 40.05 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 -1.30 4.28 0.99 -1.23 -0.53 117.46 119.67 1k5g n PHE 71 Ca 0.00 -0.04 -0.48 0.00 -0.00 0.00 0.00 57.45 56.93 1k5g n PHE 71 Cb 0.28 -0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.63 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 -0.04 0.00 0.00 4.37 -2.24 -1.26 0.13 114.28 115.25 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 0.07 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 6.65 2.17 3.74 3.38 0.00 -1.26 -4.77 105.19 115.11 1k5g n GLY 73 Ca 0.57 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 -0.12 4.71 0.62 1.61 1.81 0.12 -5.06 118.95 122.64 1k5g s ARG 74 Ca 0.00 1.38 -0.02 0.00 -1.72 0.00 0.00 55.73 55.37 1k5g s ARG 74 Cb 0.00 -3.33 0.05 0.00 -0.45 0.00 0.00 34.95 31.22 1k5g s ARG 74 CO 0.00 0.37 0.88 0.14 -0.68 0.00 0.00 175.30 176.01 1k5g s VAL 75 N -0.56 2.49 0.51 3.52 -7.23 -1.26 -4.83 120.40 113.05 1k5g s VAL 75 Ca 0.42 -0.50 0.24 0.00 -1.81 0.00 0.00 61.98 60.33 1k5g s VAL 75 Cb -0.24 -2.99 0.40 0.00 0.56 0.00 0.00 36.38 34.11 1k5g s VAL 75 CO 0.29 0.00 1.97 0.07 -0.31 0.00 0.00 175.10 177.12 1k5g h LYS 76 N -0.22 0.08 -0.29 4.82 2.10 -1.97 0.73 116.57 121.82 1k5g h LYS 76 Ca -0.43 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.30 1k5g h LYS 76 Cb 1.30 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1k5g h LYS 76 CO 0.55 0.06 0.25 0.22 -2.00 0.00 0.00 179.45 178.53 1k5g h ASP 77 N 0.09 0.00 0.00 7.07 -0.00 -1.98 -3.36 116.42 118.23 1k5g h ASP 77 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.32 1k5g h ASP 77 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.37 1k5g h ASP 77 CO -0.03 0.00 -0.36 -1.84 -0.00 0.00 0.00 179.24 177.01 1k5g n GLU 78 N -4.08 3.24 0.26 0.28 0.28 0.20 -4.87 120.64 115.95 1k5g n GLU 78 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.89 1k5g n GLU 78 Cb 0.41 -0.62 -0.08 0.00 1.43 0.00 0.00 31.44 32.58 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 0.46 -0.87 3.84 2.04 -1.57 -2.85 117.51 118.55 1k5g h ILE 79 Ca 0.00 -0.34 0.23 0.00 1.00 0.00 0.00 64.86 65.75 1k5g h ILE 79 Cb 0.00 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 1k5g h ILE 79 CO 0.00 0.05 0.29 -0.65 0.00 0.00 0.00 178.15 177.84 1k5g h PRO 80 N -0.88 0.26 0.70 2.37 0.11 -1.84 0.58 132.00 133.30 1k5g h PRO 80 Ca -0.07 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1k5g h PRO 80 Cb 0.59 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.64 1k5g h PRO 80 CO 0.11 0.17 -0.34 1.49 -0.21 0.00 0.00 178.00 179.23 1k5g h GLU 81 N 0.27 -0.91 -0.62 1.05 4.22 -1.89 -0.91 114.58 115.79 1k5g h GLU 81 Ca 0.55 0.06 0.13 0.00 0.08 0.00 0.00 59.36 60.18 1k5g h GLU 81 Cb 1.08 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 1k5g h GLU 81 CO -0.60 -0.60 0.05 0.00 -2.18 0.00 0.00 179.01 175.67 1k5g h ALA 82 N -1.55 0.67 -0.54 2.92 0.00 -1.01 0.59 119.26 120.34 1k5g h ALA 82 Ca -0.10 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k5g h ALA 82 Cb 0.72 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1k5g h ALA 82 CO 0.16 -0.37 0.33 1.25 0.00 0.00 0.00 179.25 180.62 1k5g h LEU 83 N 0.17 0.54 0.09 0.00 5.85 0.14 -2.32 115.31 119.78 1k5g h LEU 83 Ca 0.33 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1k5g h LEU 83 Cb 0.53 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1k5g h LEU 83 CO -0.49 0.38 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.53 1k5g h ARG 84 N 0.66 -0.56 -0.25 1.25 1.12 0.53 -0.21 114.38 116.92 1k5g h ARG 84 Ca 0.22 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.19 1k5g h ARG 84 Cb 0.01 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.02 1k5g h ARG 84 CO -0.09 -0.37 -0.27 -0.07 -3.11 0.00 0.00 179.97 176.05 1k5g h LEU 85 N -0.58 -0.88 0.59 3.80 3.38 -0.94 0.23 115.31 120.91 1k5g h LEU 85 Ca 0.04 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1k5g h LEU 85 Cb 0.62 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1k5g h LEU 85 CO -0.24 -0.30 -0.40 -0.07 0.09 0.00 0.00 178.44 177.52 1k5g h LEU 86 N -0.28 -1.03 -2.08 1.67 3.38 -1.08 -0.90 115.31 114.99 1k5g h LEU 86 Ca 0.14 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1k5g h LEU 86 Cb 0.50 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1k5g h LEU 86 CO -0.41 -0.61 0.33 -0.07 0.09 0.00 0.00 178.44 177.78 1k5g h LEU 87 N -0.95 0.00 -0.44 1.67 3.38 -0.79 0.24 115.31 118.42 1k5g h LEU 87 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1k5g h LEU 87 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1k5g h LEU 87 CO 0.05 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 177.96 1k5g h GLN 88 N 0.00 0.78 0.37 1.13 4.15 0.79 -2.60 115.11 119.73 1k5g h GLN 88 Ca 0.16 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1k5g h GLN 88 Cb 0.83 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1k5g h GLN 88 CO -0.00 0.85 -0.18 0.00 -1.93 0.00 0.00 178.83 177.56 1k5g h ALA 89 N 0.90 -0.50 -0.98 3.38 0.00 0.26 -3.23 119.26 119.09 1k5g h ALA 89 Ca 0.12 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.17 1k5g h ALA 89 Cb 0.50 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 18.30 1k5g h ALA 89 CO 0.02 -0.54 0.23 -0.07 0.00 0.00 0.00 179.25 178.89 1k5g h LEU 90 N -0.99 -0.15 -1.79 0.00 3.38 -1.18 1.02 115.31 115.61 1k5g h LEU 90 Ca -0.05 0.26 0.25 0.00 0.09 0.00 0.00 57.88 58.43 1k5g h LEU 90 Cb 0.52 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1k5g h LEU 90 CO 0.08 -0.35 0.78 -0.07 0.09 0.00 0.00 178.44 178.97 1k5g h LEU 91 N 0.04 0.00 -3.49 1.67 3.38 -1.48 -0.18 115.31 115.25 1k5g h LEU 91 Ca 0.67 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 58.25 1k5g h LEU 91 Cb 1.54 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 42.07 1k5g h LEU 91 CO -0.83 0.00 0.51 0.29 0.09 0.00 0.00 178.44 178.49 1k5g n LYS 92 N -3.78 1.96 -3.91 1.13 5.02 0.35 -4.77 118.16 114.16 1k5g n LYS 92 Ca 0.18 -2.20 -0.30 0.00 -2.02 0.00 0.00 58.31 53.97 1k5g n LYS 92 Cb 1.07 -1.86 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 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 7.57 0.24 -0.36 0.00 0.11 -1.86 -2.57 132.00 135.14 1k5g h PRO 94 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1k5g h PRO 94 Cb 1.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1k5g h PRO 94 CO 0.52 0.16 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1k5g n LYS 95 N -4.46 2.34 -2.09 1.05 5.02 -1.26 -4.76 118.16 114.00 1k5g n LYS 95 Ca 0.24 -2.15 -0.39 0.00 -2.02 0.00 0.00 58.31 53.99 1k5g n LYS 95 Cb 0.97 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.31 3.31 -0.05 -0.35 2.96 -0.92 -4.36 118.68 117.96 1k5g s LEU 96 Ca 0.34 0.37 0.21 0.00 -0.22 0.00 0.00 54.13 54.82 1k5g s LEU 96 Cb 0.20 -2.65 -0.29 0.00 0.50 0.00 0.00 46.19 43.95 1k5g s LEU 96 CO 0.27 -2.25 0.43 0.00 -1.32 0.00 0.00 176.35 173.48 1k5g n HIS 97 N 12.15 0.10 -3.99 5.38 1.44 -1.01 -3.36 115.22 125.93 1k5g n HIS 97 Ca 0.19 0.03 -0.29 0.00 -2.01 0.00 0.00 57.72 55.64 1k5g n HIS 97 Cb 0.51 -0.68 -0.17 0.00 0.12 0.00 0.00 29.99 29.78 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 -3.23 1.35 -0.05 0.61 2.01 -1.02 0.15 115.64 115.46 1k5g s THR 98 Ca -0.08 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1k5g s THR 98 Cb 0.12 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.34 1k5g s THR 98 CO 0.88 0.42 -0.10 0.54 -0.69 0.00 0.00 174.62 175.67 1k5g s VAL 99 N 1.56 0.97 -0.17 3.82 0.11 -0.85 -1.25 120.40 124.59 1k5g s VAL 99 Ca 0.05 -0.40 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1k5g s VAL 99 Cb -0.13 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1k5g s VAL 99 CO -0.09 0.31 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.66 1k5g s ARG 100 N 0.60 2.91 -0.11 1.54 0.52 0.55 -2.13 118.95 122.84 1k5g s ARG 100 Ca -0.12 -0.80 0.16 0.00 -0.52 0.00 0.00 55.73 54.45 1k5g s ARG 100 Cb -0.14 -2.49 0.25 0.00 0.52 0.00 0.00 34.95 33.09 1k5g s ARG 100 CO 0.02 -0.17 1.13 1.28 0.02 0.00 0.00 175.30 177.58 1k5g n LEU 101 N 4.52 2.22 -4.68 2.53 4.77 -0.03 -0.23 117.00 126.10 1k5g n LEU 101 Ca -0.20 -2.88 -0.31 0.00 -0.03 0.00 0.00 56.01 52.59 1k5g n LEU 101 Cb 0.50 -0.37 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1k5g n LEU 101 CO 0.26 0.67 0.67 -0.44 -1.33 0.00 0.00 177.39 177.21 1k5g s SER 102 N -2.60 3.18 -1.23 -1.43 0.01 -1.10 -4.13 113.70 106.40 1k5g s SER 102 Ca 0.27 1.96 -0.08 0.00 1.31 0.00 0.00 55.95 59.41 1k5g s SER 102 Cb 0.24 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1k5g s SER 102 CO 0.03 -2.90 1.07 0.47 0.41 0.00 0.00 173.24 172.32 1k5g n ASP 103 N -4.09 -5.93 -3.93 2.44 8.00 -0.25 -0.40 116.55 112.39 1k5g n ASP 103 Ca 0.10 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.94 1k5g n ASP 103 Cb 0.53 -4.61 -0.15 0.00 -0.02 0.00 0.00 41.12 36.87 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 -3.30 0.67 -0.47 -2.24 0.01 -1.18 -3.53 114.94 104.90 1k5g s ASN 104 Ca 0.53 -0.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.31 1k5g s ASN 104 Cb -0.23 -0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.24 1k5g s ASN 104 CO 0.66 0.02 1.80 0.00 -1.51 0.00 0.00 177.10 178.07 1k5g s ALA 105 N 0.22 2.55 0.00 0.60 0.00 -1.26 -4.27 121.76 119.60 1k5g s ALA 105 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1k5g s ALA 105 Cb -0.06 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1k5g s ALA 105 CO -0.00 -3.21 0.00 1.19 0.00 0.00 0.00 175.76 173.73 1k5g n PHE 106 N 11.36 0.00 -2.17 0.00 3.72 -0.39 -4.95 117.46 125.02 1k5g n PHE 106 Ca 0.21 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.66 1k5g n PHE 106 Cb 0.49 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 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 3.21 -0.76 0.24 1.37 0.00 -0.88 -2.97 105.19 105.40 1k5g n GLY 107 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.03 0.00 1.61 0.11 -1.79 -1.79 132.00 130.18 1k5g h PRO 108 Ca 0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1k5g h PRO 108 Cb 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1k5g h PRO 108 CO 0.00 0.02 0.03 -2.37 -0.21 0.00 0.00 178.00 175.47 1k5g n THR 109 N -5.39 0.16 -2.13 -1.15 5.66 -1.24 -1.30 114.28 108.89 1k5g n THR 109 Ca 0.08 0.07 -0.01 0.00 -3.05 0.00 0.00 64.05 61.14 1k5g n THR 109 Cb 0.35 -1.07 -0.01 0.00 -1.55 0.00 0.00 70.33 68.05 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 -0.86 2.49 0.28 1.79 0.00 -0.68 -4.71 120.51 118.82 1k5g n ALA 110 Ca 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 53.44 52.56 1k5g n ALA 110 Cb 0.03 -0.40 0.47 0.00 0.00 0.00 0.00 19.45 19.55 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 0.32 0.00 3.07 -1.14 -3.37 115.11 114.25 1k5g h GLN 111 Ca -0.19 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.55 1k5g h GLN 111 Cb 1.43 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.97 1k5g h GLN 111 CO -0.04 0.00 -0.43 0.93 0.09 0.00 0.00 178.83 179.38 1k5g h GLU 112 N 0.00 -0.75 -0.80 0.06 4.39 -1.91 0.26 114.58 115.83 1k5g h GLU 112 Ca 0.00 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1k5g h GLU 112 Cb 0.69 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.45 1k5g h GLU 112 CO 0.00 -0.50 0.46 -1.35 -1.16 0.00 0.00 179.01 176.46 1k5g h PRO 113 N -0.78 0.77 0.51 2.33 0.11 -1.90 -0.42 132.00 132.62 1k5g h PRO 113 Ca -0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1k5g h PRO 113 Cb 0.70 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1k5g h PRO 113 CO -0.11 0.51 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.87 1k5g h LEU 114 N 0.79 -0.58 -1.20 2.35 4.07 -1.67 -0.29 115.31 118.78 1k5g h LEU 114 Ca 0.38 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.46 1k5g h LEU 114 Cb 0.32 0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.14 1k5g h LEU 114 CO -0.23 -0.41 0.58 0.40 -1.08 0.00 0.00 178.44 177.70 1k5g h ILE 115 N -0.69 0.95 0.00 1.22 2.04 -0.10 0.38 117.51 121.31 1k5g h ILE 115 Ca -0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1k5g h ILE 115 Cb 0.53 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1k5g h ILE 115 CO 0.11 0.16 0.00 -0.67 0.00 0.00 0.00 178.15 177.75 1k5g n ASP 116 N -4.54 0.00 -0.21 1.72 4.64 -0.20 -3.39 116.55 114.58 1k5g n ASP 116 Ca 0.15 0.35 -0.05 0.00 -1.38 0.00 0.00 54.79 53.86 1k5g n ASP 116 Cb 0.32 -0.02 -0.05 0.00 -1.04 0.00 0.00 41.12 40.34 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 -0.55 -0.22 -0.22 -0.67 7.35 -0.15 -1.07 117.46 121.94 1k5g n PHE 117 Ca 0.00 0.62 0.23 0.00 -0.76 0.00 0.00 57.45 57.54 1k5g n PHE 117 Cb 0.00 -0.50 0.60 0.00 0.35 0.00 0.00 39.48 39.94 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 0.23 -0.25 -2.13 3.38 -1.08 0.34 115.31 115.79 1k5g h LEU 118 Ca 0.08 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1k5g h LEU 118 Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1k5g h LEU 118 CO -0.47 0.08 -0.82 0.77 0.09 0.00 0.00 178.44 178.10 1k5g h SER 119 N 0.22 0.00 0.01 -0.43 4.64 -1.11 -3.40 113.55 113.49 1k5g h SER 119 Ca 0.46 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.47 1k5g h SER 119 Cb 1.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.47 1k5g h SER 119 CO -0.11 0.82 -1.70 0.29 -0.87 0.00 0.00 176.83 175.26 1k5g n LYS 120 N -3.47 0.59 -1.44 4.77 5.02 -0.02 -2.99 118.16 120.61 1k5g n LYS 120 Ca -0.00 0.46 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 1k5g n LYS 120 Cb 0.81 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 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 -4.27 0.67 0.26 2.13 -0.00 -0.41 -4.77 115.22 108.83 1k5g n HIS 121 Ca -0.39 -0.07 0.12 0.00 0.46 0.00 0.00 57.72 57.84 1k5g n HIS 121 Cb 0.78 -1.93 0.69 0.00 -0.12 0.00 0.00 29.99 29.41 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 7.03 0.63 0.00 3.57 1.35 -1.90 -2.78 112.91 120.81 1k5g h THR 122 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1k5g h THR 122 Cb 1.01 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1k5g h THR 122 CO 1.07 0.13 0.00 -0.65 -0.25 0.00 0.00 175.52 175.82 1k5g h PRO 123 N 0.00 0.00 -6.33 4.72 0.11 -1.86 -3.43 132.00 125.21 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 0.35 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.50 1k5g h PRO 123 CO 0.02 0.00 0.81 -0.11 -0.21 0.00 0.00 178.00 178.51 1k5g n LEU 124 N -2.76 2.73 0.00 2.35 7.94 -1.05 -4.07 117.00 122.13 1k5g n LEU 124 Ca -0.00 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1k5g n LEU 124 Cb 0.20 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1k5g n LEU 124 CO 0.21 -0.43 -0.41 -0.62 -1.11 0.00 0.00 177.39 175.04 1k5g n GLU 125 N 4.37 1.75 -3.89 1.96 1.02 0.40 -4.39 120.64 121.86 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 -0.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.82 2.02 -0.26 -0.32 3.76 0.10 0.45 115.29 119.22 1k5g s HIS 126 Ca 0.00 -1.47 -0.07 0.00 -0.15 0.00 0.00 55.06 53.37 1k5g s HIS 126 Cb 0.00 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 1k5g s HIS 126 CO 0.00 -0.72 0.07 -1.17 -0.85 0.00 0.00 174.74 172.07 1k5g s LEU 127 N 1.52 3.51 -0.69 0.89 2.96 0.86 -2.01 118.68 125.72 1k5g s LEU 127 Ca -0.04 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1k5g s LEU 127 Cb -0.18 -1.90 0.18 0.00 0.50 0.00 0.00 46.19 44.78 1k5g s LEU 127 CO -0.07 -0.07 0.52 -0.31 -1.32 0.00 0.00 176.35 175.10 1k5g s TYR 128 N 1.58 3.50 -0.76 5.38 1.51 -0.91 -0.92 117.35 126.74 1k5g s TYR 128 Ca 0.06 -2.67 0.02 0.00 -1.01 0.00 0.00 57.07 53.46 1k5g s TYR 128 Cb -0.16 -3.28 0.19 0.00 -0.11 0.00 0.00 41.96 38.60 1k5g s TYR 128 CO 0.03 -0.85 0.58 -1.17 -1.11 0.00 0.00 175.55 173.04 1k5g s LEU 129 N -0.21 5.11 -0.08 -1.29 2.96 0.01 -0.85 118.68 124.34 1k5g s LEU 129 Ca 0.18 -3.65 0.05 0.00 -0.22 0.00 0.00 54.13 50.49 1k5g s LEU 129 Cb -0.17 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1k5g s LEU 129 CO -0.05 -0.16 -0.24 -2.28 -1.32 0.00 0.00 176.35 172.30 1k5g s HIS 130 N -1.20 2.43 -0.67 5.38 2.46 -1.19 -3.49 115.29 119.01 1k5g s HIS 130 Ca 0.25 -0.86 -0.05 0.00 0.47 0.00 0.00 55.06 54.86 1k5g s HIS 130 Cb -0.09 -1.61 0.01 0.00 -0.13 0.00 0.00 32.58 30.76 1k5g s HIS 130 CO -0.12 -0.31 0.66 -1.71 -2.47 0.00 0.00 174.74 170.79 1k5g n ASN 131 N 3.25 -7.39 0.00 9.88 4.05 0.35 -1.09 115.26 124.31 1k5g n ASN 131 Ca -0.18 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 54.80 1k5g n ASN 131 Cb 0.52 -4.74 0.00 0.00 1.23 0.00 0.00 39.78 36.79 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 0.14 -3.36 1.20 4.13 -1.25 -1.96 115.26 112.68 1k5g n ASN 132 Ca -0.02 -0.46 -0.21 0.00 1.68 0.00 0.00 54.58 55.57 1k5g n ASN 132 Cb 0.52 0.29 0.08 0.00 -1.54 0.00 0.00 39.78 39.13 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 0.29 -0.42 0.23 7.41 0.00 -1.25 -1.26 105.19 110.18 1k5g n GLY 133 Ca 0.00 0.17 -0.10 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 -2.40 -0.56 0.00 0.99 3.38 -1.86 -2.84 115.31 112.01 1k5g h LEU 134 Ca -0.53 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1k5g h LEU 134 Cb 1.34 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1k5g h LEU 134 CO 0.51 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1k5g n GLY 135 N -1.32 -0.01 0.34 0.83 0.00 0.11 -3.68 105.19 101.47 1k5g n GLY 135 Ca -0.04 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 0.90 0.00 1.61 0.11 -1.67 0.56 132.00 133.51 1k5g h PRO 136 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1k5g h PRO 136 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1k5g h PRO 136 CO 0.00 0.59 0.00 1.04 -0.21 0.00 0.00 178.00 179.42 1k5g n GLN 137 N -4.66 0.00 -0.18 1.05 3.00 -1.26 -2.14 117.38 113.18 1k5g n GLN 137 Ca 0.16 0.50 0.05 0.00 -0.01 0.00 0.00 57.00 57.70 1k5g n GLN 137 Cb 0.30 -1.45 0.33 0.00 0.00 0.00 0.00 30.24 29.42 1k5g n GLN 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k5g h ALA 138 N -2.00 1.65 -0.64 -1.58 0.00 -1.69 -1.58 119.26 113.42 1k5g h ALA 138 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1k5g h ALA 138 Cb 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.49 1k5g h ALA 138 CO 0.00 0.25 0.20 0.78 0.00 0.00 0.00 179.25 180.48 1k5g h GLY 139 N 0.80 0.89 0.79 0.00 0.00 0.12 0.12 103.07 105.78 1k5g h GLY 139 Ca 0.30 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1k5g h GLY 139 CO -0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 176.54 176.30 1k5g h ALA 140 N 1.47 -0.05 -0.33 3.60 0.00 -0.76 0.16 119.26 123.35 1k5g h ALA 140 Ca 0.34 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1k5g h ALA 140 Cb 0.47 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1k5g h ALA 140 CO -0.37 -0.56 0.09 0.87 0.00 0.00 0.00 179.25 179.29 1k5g h LYS 141 N -0.11 0.22 -0.90 0.00 1.57 -1.01 0.26 116.57 116.59 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 0.16 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1k5g h LYS 141 CO -0.09 0.14 0.58 0.82 -0.57 0.00 0.00 179.45 180.33 1k5g h ILE 142 N 0.22 0.92 -0.38 1.86 1.08 -0.33 0.44 117.51 121.31 1k5g h ILE 142 Ca 0.15 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.27 1k5g h ILE 142 Cb 0.15 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1k5g h ILE 142 CO -0.18 0.15 -0.03 0.00 -0.69 0.00 0.00 178.15 177.41 1k5g h ALA 143 N 1.57 0.52 0.05 1.87 0.00 0.18 -1.02 119.26 122.43 1k5g h ALA 143 Ca 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k5g h ALA 143 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1k5g h ALA 143 CO -0.20 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 1k5g h ARG 144 N 0.51 -0.06 -1.06 0.00 3.08 0.52 -1.96 114.38 115.41 1k5g h ARG 144 Ca 0.11 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.44 1k5g h ARG 144 Cb 0.51 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 1k5g h ARG 144 CO 0.02 0.17 0.71 0.00 -1.07 0.00 0.00 179.97 179.80 1k5g h ALA 145 N 0.65 2.48 0.00 0.04 0.00 -0.06 1.13 119.26 123.50 1k5g h ALA 145 Ca -0.01 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1k5g h ALA 145 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1k5g h ALA 145 CO 0.01 -0.85 -0.85 -0.07 0.00 0.00 0.00 179.25 177.48 1k5g h LEU 146 N 0.27 0.00 -0.85 0.00 4.07 -0.67 -2.32 115.31 115.82 1k5g h LEU 146 Ca 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.51 1k5g h LEU 146 Cb 1.68 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.38 1k5g h LEU 146 CO -0.21 0.85 0.43 1.56 -1.08 0.00 0.00 178.44 180.00 1k5g h GLN 147 N 0.00 1.21 0.93 1.13 4.20 0.20 -1.23 115.11 121.54 1k5g h GLN 147 Ca -0.01 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1k5g h GLN 147 Cb 1.52 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 29.08 1k5g h GLN 147 CO 0.11 0.91 -0.48 0.93 -0.67 0.00 0.00 178.83 179.63 1k5g h GLU 148 N 1.20 -1.25 -1.30 1.46 4.39 -0.97 -1.84 114.58 116.28 1k5g h GLU 148 Ca 0.30 0.08 0.43 0.00 0.34 0.00 0.00 59.36 60.51 1k5g h GLU 148 Cb 0.08 0.28 -0.13 0.00 -0.10 0.00 0.00 28.75 28.88 1k5g h GLU 148 CO -0.04 -0.83 0.83 1.25 -1.16 0.00 0.00 179.01 179.06 1k5g h LEU 149 N -1.29 0.25 -0.02 1.33 5.85 -0.95 1.09 115.31 121.58 1k5g h LEU 149 Ca -0.13 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1k5g h LEU 149 Cb 1.01 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1k5g h LEU 149 CO 0.18 -0.20 -0.23 0.00 -0.34 0.00 0.00 178.44 177.85 1k5g h ALA 150 N 1.63 -0.29 0.72 1.25 0.00 -0.36 0.24 119.26 122.44 1k5g h ALA 150 Ca 0.82 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.70 1k5g h ALA 150 Cb 2.54 0.41 0.01 0.00 0.00 0.00 0.00 17.79 20.75 1k5g h ALA 150 CO -0.45 -0.73 -0.35 0.28 0.00 0.00 0.00 179.25 178.01 1k5g h VAL 151 N -0.35 0.26 -0.11 0.00 2.07 0.13 -2.17 116.25 116.08 1k5g h VAL 151 Ca 0.07 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1k5g h VAL 151 Cb 0.44 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1k5g h VAL 151 CO -0.22 0.01 0.32 0.78 0.02 0.00 0.00 177.57 178.48 1k5g h ASN 152 N -1.03 0.00 0.14 0.57 2.35 -1.12 -0.31 115.58 116.18 1k5g h ASN 152 Ca -0.10 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 1k5g h ASN 152 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.15 1k5g h ASN 152 CO 0.16 0.00 -0.94 0.11 -1.65 0.00 0.00 177.43 175.12 1k5g h LYS 153 N 0.00 0.38 0.00 0.81 1.57 -0.45 -3.18 116.57 115.71 1k5g h LYS 153 Ca 0.05 -0.60 -0.05 0.00 -1.87 0.00 0.00 60.65 58.18 1k5g h LYS 153 Cb 0.70 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1k5g h LYS 153 CO -0.00 1.27 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.69 1k5g h LYS 154 N -0.19 0.00 -0.06 3.15 3.64 -0.48 -2.12 116.57 120.50 1k5g h LYS 154 Ca -0.16 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.09 1k5g h LYS 154 Cb 1.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 1k5g h LYS 154 CO 0.18 0.24 -0.55 0.00 -2.27 0.00 0.00 179.45 177.05 1k5g h ALA 155 N 1.76 0.97 -0.38 5.00 0.00 -1.39 -3.18 119.26 122.05 1k5g h ALA 155 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1k5g h ALA 155 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1k5g h ALA 155 CO 0.03 0.69 0.03 1.63 0.00 0.00 0.00 179.25 181.63 1k5g n LYS 156 N -3.91 3.24 -4.20 0.00 5.02 -0.94 -4.97 118.16 112.41 1k5g n LYS 156 Ca -0.02 -2.97 -0.36 0.00 -2.02 0.00 0.00 58.31 52.94 1k5g n LYS 156 Cb 0.57 -1.96 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.35 -2.65 -4.91 4.39 4.13 -0.85 -4.93 115.26 110.09 1k5g n ASN 157 Ca 0.26 -0.98 -0.27 0.00 1.68 0.00 0.00 54.58 55.27 1k5g n ASN 157 Cb 1.03 -2.23 -0.00 0.00 -1.54 0.00 0.00 39.78 37.04 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 -3.17 3.39 0.65 5.41 0.00 -0.88 -5.04 121.76 122.12 1k5g s ALA 158 Ca 0.72 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 1k5g s ALA 158 Cb -0.41 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1k5g s ALA 158 CO 0.89 -0.36 0.77 -2.30 0.00 0.00 0.00 175.76 174.76 1k5g n PRO 159 N -2.27 0.58 -2.25 0.00 -0.02 -1.26 -4.83 135.00 124.95 1k5g n PRO 159 Ca 0.01 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1k5g n PRO 159 Cb 0.55 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.76 3.53 0.30 0.52 0.02 -1.26 -4.94 135.00 130.40 1k5g s PRO 160 Ca 0.72 1.26 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 1k5g s PRO 160 Cb -0.39 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 1k5g s PRO 160 CO 0.51 -0.65 1.23 -1.17 -0.33 0.00 0.00 177.00 176.59 1k5g s LEU 161 N -4.10 4.48 -0.05 -5.54 2.96 -1.26 -4.72 118.68 110.44 1k5g s LEU 161 Ca 0.65 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 57.11 1k5g s LEU 161 Cb -0.16 -3.64 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 1k5g s LEU 161 CO 0.30 -0.38 0.01 0.54 -1.32 0.00 0.00 176.35 175.51 1k5g n ARG 162 N 1.06 2.97 -3.77 1.98 5.12 0.17 -3.82 116.66 120.37 1k5g n ARG 162 Ca -0.00 -0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1k5g n ARG 162 Cb 0.43 -1.14 -0.16 0.00 -1.16 0.00 0.00 32.46 30.43 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 -3.71 0.30 -0.23 0.55 0.01 -0.46 0.11 113.70 110.26 1k5g s SER 163 Ca -0.03 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1k5g s SER 163 Cb 0.02 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.20 1k5g s SER 163 CO 0.22 -0.15 -0.08 -0.63 0.41 0.00 0.00 173.24 173.01 1k5g s ILE 164 N 1.26 1.75 -0.65 1.44 1.01 0.11 -0.10 121.20 126.01 1k5g s ILE 164 Ca -0.07 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 1k5g s ILE 164 Cb -0.13 -1.92 0.17 0.00 0.01 0.00 0.00 42.46 40.59 1k5g s ILE 164 CO -0.03 -0.01 0.49 -0.63 0.00 0.00 0.00 174.94 174.76 1k5g s ILE 165 N 1.31 4.14 -0.48 2.92 -1.09 -0.10 -1.03 121.20 126.88 1k5g s ILE 165 Ca -0.06 -2.72 0.03 0.00 -2.23 0.00 0.00 60.65 55.67 1k5g s ILE 165 Cb -0.19 -3.67 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 1k5g s ILE 165 CO -0.06 -0.89 0.26 0.00 -1.23 0.00 0.00 174.94 173.01 1k5g s GLY 167 N 0.06 1.36 -1.09 0.00 0.00 -1.23 -4.17 107.32 102.26 1k5g s GLY 167 Ca 0.18 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.17 1k5g s GLY 167 CO -0.01 -1.53 0.95 0.54 0.00 0.00 0.00 173.10 173.04 1k5g n ARG 168 N -0.30 -6.39 0.00 2.90 1.74 0.15 0.13 116.66 114.89 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 -2.16 1.05 -3.87 0.55 3.02 -1.25 -3.76 115.26 108.83 1k5g n ASN 169 Ca -0.00 -1.25 -0.27 0.00 -0.03 0.00 0.00 54.58 53.03 1k5g n ASN 169 Cb 0.55 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.12 -4.90 0.34 3.52 1.74 -1.26 0.10 116.66 116.07 1k5g n ARG 170 Ca 0.00 0.57 0.18 0.00 -0.77 0.00 0.00 57.85 57.82 1k5g n ARG 170 Cb 0.13 -5.24 0.95 0.00 -1.02 0.00 0.00 32.46 27.27 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 -1.95 0.00 0.00 0.55 3.38 -1.82 -2.87 115.31 112.60 1k5g h LEU 171 Ca -0.60 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.39 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 0.64 0.00 -0.02 -0.62 0.09 0.00 0.00 178.44 178.53 1k5g n GLU 172 N -2.96 -0.10 0.18 1.13 1.02 0.30 -2.81 120.64 117.40 1k5g n GLU 172 Ca -0.02 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1k5g n GLU 172 Cb 0.28 -0.12 0.18 0.00 -0.02 0.00 0.00 31.44 31.76 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 -0.05 0.00 -0.86 1.62 -0.26 -1.84 -3.29 115.58 110.91 1k5g h ASN 173 Ca 0.00 0.00 0.21 0.00 -0.56 0.00 0.00 56.30 55.95 1k5g h ASN 173 Cb 0.05 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.15 1k5g h ASN 173 CO 0.00 0.29 0.02 1.23 -1.06 0.00 0.00 177.43 177.91 1k5g h GLY 174 N 3.25 1.02 -1.65 2.83 0.00 -1.92 -0.08 103.07 106.53 1k5g h GLY 174 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1k5g h GLY 174 CO 0.04 -0.37 0.00 -1.14 0.00 0.00 0.00 176.54 175.07 1k5g n SER 175 N -5.39 2.68 -0.19 0.19 3.41 -1.12 -4.42 113.62 108.77 1k5g n SER 175 Ca 0.18 -1.87 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1k5g n SER 175 Cb 0.59 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.04 -0.47 4.33 2.07 -1.10 -0.19 114.93 124.21 1k5g h MET 176 Ca 0.00 -0.35 0.10 0.00 -2.07 0.00 0.00 59.70 57.37 1k5g h MET 176 Cb 0.79 -0.08 -0.09 0.00 -1.87 0.00 0.00 31.60 30.34 1k5g h MET 176 CO 0.00 1.05 -0.17 0.87 1.07 0.00 0.00 176.91 179.72 1k5g h LYS 177 N 0.93 -0.07 0.11 1.72 1.57 -1.77 -0.10 116.57 118.96 1k5g h LYS 177 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1k5g h LYS 177 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1k5g h LYS 177 CO 0.04 -0.04 -0.05 1.49 -0.57 0.00 0.00 179.45 180.31 1k5g h GLU 178 N -0.07 -0.14 -0.79 3.15 4.57 -1.79 -3.18 114.58 116.33 1k5g h GLU 178 Ca 0.22 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.55 1k5g h GLU 178 Cb 0.41 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.94 1k5g h GLU 178 CO -0.52 0.27 0.36 -1.49 -1.18 0.00 0.00 179.01 176.45 1k5g h TRP 179 N -0.59 0.63 -0.73 0.92 4.06 -0.72 0.54 115.95 120.06 1k5g h TRP 179 Ca -0.01 0.03 0.18 0.00 2.06 0.00 0.00 58.89 61.15 1k5g h TRP 179 Cb 0.47 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.43 1k5g h TRP 179 CO 0.07 0.13 0.51 0.00 -3.56 0.00 0.00 178.44 175.58 1k5g h ALA 180 N 1.54 2.41 -0.04 1.49 0.00 -1.04 0.45 119.26 124.08 1k5g h ALA 180 Ca 0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.10 1k5g h ALA 180 Cb 0.62 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1k5g h ALA 180 CO -0.37 -0.62 -0.88 0.87 0.00 0.00 0.00 179.25 178.24 1k5g h LYS 181 N 0.19 0.67 -0.77 0.00 1.57 0.06 -2.60 116.57 115.68 1k5g h LYS 181 Ca 0.36 -0.66 0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1k5g h LYS 181 Cb 1.13 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.56 1k5g h LYS 181 CO -0.07 1.26 0.51 1.15 -0.57 0.00 0.00 179.45 181.73 1k5g h THR 182 N 0.33 0.84 -0.07 -0.16 2.02 0.86 -0.33 112.91 116.41 1k5g h THR 182 Ca -0.10 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 1k5g h THR 182 Cb 1.54 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1k5g h THR 182 CO 0.18 0.09 -0.31 -0.26 0.37 0.00 0.00 175.52 175.59 1k5g h PHE 183 N 0.52 0.44 -1.05 3.16 0.05 -1.03 -2.11 116.94 116.91 1k5g h PHE 183 Ca 0.37 -0.19 0.30 0.00 3.82 0.00 0.00 57.97 62.27 1k5g h PHE 183 Cb 0.72 -0.07 -0.05 0.00 2.00 0.00 0.00 35.95 38.55 1k5g h PHE 183 CO -0.00 0.93 0.75 1.96 -0.18 0.00 0.00 178.31 181.77 1k5g h GLN 184 N -0.17 0.03 0.28 1.51 4.20 -0.71 -0.86 115.11 119.38 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 0.96 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1k5g h GLN 184 CO 0.06 0.02 -0.13 0.77 -0.67 0.00 0.00 178.83 178.88 1k5g h SER 185 N 0.03 -0.32 -1.42 1.46 0.02 -0.93 -3.37 113.55 109.01 1k5g h SER 185 Ca 0.51 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 60.72 1k5g h SER 185 Cb 1.98 0.08 -0.15 0.00 0.14 0.00 0.00 62.40 64.45 1k5g h SER 185 CO -0.03 -0.09 1.98 1.41 -1.14 0.00 0.00 176.83 178.97 1k5g n HIS 186 N -3.80 3.37 1.15 3.45 8.25 -0.34 -4.81 115.22 122.49 1k5g n HIS 186 Ca -0.05 -2.90 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 1k5g n HIS 186 Cb 0.15 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.22 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 4.40 0.74 -0.11 -0.41 1.74 -1.18 -3.01 116.66 118.83 1k5g n ARG 187 Ca 0.40 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.57 1k5g n ARG 187 Cb 0.38 -1.16 0.14 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.22 2.53 -4.75 0.55 4.77 -1.26 -4.19 117.00 114.42 1k5g n LEU 188 Ca 0.00 -2.92 -0.33 0.00 -0.03 0.00 0.00 56.01 52.73 1k5g n LEU 188 Cb 0.08 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1k5g n LEU 188 CO 0.00 0.68 0.76 -0.76 -1.33 0.00 0.00 177.39 176.74 1k5g s LEU 189 N -2.59 3.31 -0.04 2.23 1.43 -1.16 -4.70 118.68 117.15 1k5g s LEU 189 Ca 0.29 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1k5g s LEU 189 Cb 0.25 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 1k5g s LEU 189 CO 0.04 -1.99 -0.03 1.41 0.23 0.00 0.00 176.35 176.01 1k5g n HIS 190 N -2.70 0.00 -3.89 0.29 8.25 0.12 -2.74 115.22 114.54 1k5g n HIS 190 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1k5g n HIS 190 Cb 0.51 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.07 1.24 -0.16 1.59 2.01 -0.78 -0.07 115.64 117.41 1k5g s THR 191 Ca -0.05 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1k5g s THR 191 Cb 0.01 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1k5g s THR 191 CO 0.08 -0.06 -0.16 0.54 -0.69 0.00 0.00 174.62 174.34 1k5g s VAL 192 N 1.54 1.70 -0.30 3.82 0.11 -0.37 -0.72 120.40 126.18 1k5g s VAL 192 Ca -0.03 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1k5g s VAL 192 Cb -0.18 -1.58 0.09 0.00 -1.53 0.00 0.00 36.38 33.19 1k5g s VAL 192 CO -0.07 0.48 0.08 -0.54 -3.33 0.00 0.00 175.10 171.72 1k5g s LYS 193 N 1.42 0.91 -0.77 1.54 1.02 -0.20 -2.41 119.74 121.25 1k5g s LYS 193 Ca 0.05 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1k5g s LYS 193 Cb -0.13 -2.26 0.27 0.00 -0.52 0.00 0.00 37.83 35.19 1k5g s LYS 193 CO -0.11 -0.93 0.97 -1.33 -0.92 0.00 0.00 175.35 173.03 1k5g n MET 194 N 4.74 3.13 -3.04 1.68 2.81 -0.67 -1.01 117.12 124.75 1k5g n MET 194 Ca -0.02 -4.64 -0.37 0.00 -1.81 0.00 0.00 57.70 50.86 1k5g n MET 194 Cb 0.42 -2.34 -0.06 0.00 -0.71 0.00 0.00 33.22 30.54 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 -2.59 4.49 -1.20 2.03 1.01 -1.25 -4.45 120.40 118.44 1k5g s VAL 195 Ca 0.37 1.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.72 1k5g s VAL 195 Cb 0.12 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1k5g s VAL 195 CO 0.03 0.27 0.80 1.67 0.00 0.00 0.00 175.10 177.86 1k5g n GLN 196 N 0.90 -3.57 -0.79 2.72 0.00 0.65 0.33 117.38 117.62 1k5g n GLN 196 Ca -0.03 0.66 -0.01 0.00 -0.00 0.00 0.00 57.00 57.62 1k5g n GLN 196 Cb 0.50 -5.14 0.19 0.00 0.00 0.00 0.00 30.24 25.80 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 -3.01 2.30 0.00 1.69 3.02 -1.26 -2.82 115.26 115.17 1k5g n ASN 197 Ca -0.20 -3.85 0.00 0.00 -0.03 0.00 0.00 54.58 50.50 1k5g n ASN 197 Cb 0.64 -0.57 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 -1.09 0.00 3.68 7.41 0.00 -1.26 -0.54 105.19 113.38 1k5g n GLY 198 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.65 0.44 -2.74 -0.61 5.41 -1.26 -4.63 119.36 115.32 1k5g n ILE 199 Ca 0.00 -0.08 -0.21 0.00 1.00 0.00 0.00 62.75 63.46 1k5g n ILE 199 Cb 0.16 -2.04 0.06 0.00 -0.71 0.00 0.00 39.64 37.11 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 3.08 2.24 0.02 0.38 0.52 -1.26 -2.30 118.95 121.64 1k5g s ARG 200 Ca 0.85 -1.11 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1k5g s ARG 200 Cb -0.54 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 1k5g s ARG 200 CO 0.41 -0.93 0.77 -2.30 0.02 0.00 0.00 175.30 173.27 1k5g n PRO 201 N -2.43 -0.05 -0.33 3.54 -0.02 -0.62 0.39 135.00 135.48 1k5g n PRO 201 Ca 0.12 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.53 1k5g n PRO 201 Cb 0.60 -1.15 0.36 0.00 -0.02 0.00 0.00 33.50 33.29 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 0.48 0.66 -0.52 3.07 -1.89 0.20 114.58 116.57 1k5g h GLU 202 Ca 0.02 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1k5g h GLU 202 Cb 0.05 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1k5g h GLU 202 CO -0.11 0.32 -0.44 0.78 -1.40 0.00 0.00 179.01 178.16 1k5g h GLY 203 N 0.49 -1.17 0.83 -3.84 0.00 -0.42 -2.50 103.07 96.47 1k5g h GLY 203 Ca 0.61 0.50 0.04 0.00 0.00 0.00 0.00 47.33 48.47 1k5g h GLY 203 CO -0.50 -0.40 0.42 -2.22 0.00 0.00 0.00 176.54 173.84 1k5g h ILE 204 N -1.05 1.07 -0.62 2.60 5.03 0.58 0.21 117.51 125.33 1k5g h ILE 204 Ca -0.08 -0.28 0.13 0.00 -0.12 0.00 0.00 64.86 64.51 1k5g h ILE 204 Cb 0.86 0.18 -0.11 0.00 -3.03 0.00 0.00 36.82 34.72 1k5g h ILE 204 CO 0.06 0.15 -0.04 -0.08 -0.68 0.00 0.00 178.15 177.56 1k5g h GLU 205 N 0.82 0.08 0.25 2.37 4.81 -0.54 0.26 114.58 122.64 1k5g h GLU 205 Ca 0.28 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1k5g h GLU 205 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1k5g h GLU 205 CO -0.12 0.05 -0.12 1.25 -0.73 0.00 0.00 179.01 179.34 1k5g h HIS 206 N 0.08 -0.32 -1.06 0.92 2.76 -0.98 -1.27 115.15 115.30 1k5g h HIS 206 Ca 0.32 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.88 1k5g h HIS 206 Cb 0.51 0.10 -0.14 0.00 1.55 0.00 0.00 27.41 29.44 1k5g h HIS 206 CO -0.40 -0.20 0.64 -0.11 -1.30 0.00 0.00 177.93 176.56 1k5g n LEU 207 N -3.38 0.24 0.00 0.26 7.94 0.02 -0.78 117.00 121.29 1k5g n LEU 207 Ca -0.04 1.34 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 1k5g n LEU 207 Cb 0.13 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1k5g n LEU 207 CO 0.10 -1.48 0.04 0.18 -1.11 0.00 0.00 177.39 175.13 1k5g n LEU 208 N -4.72 1.80 0.07 -1.96 7.99 0.90 -1.73 117.00 119.36 1k5g n LEU 208 Ca 0.35 0.22 0.21 0.00 -0.01 0.00 0.00 56.01 56.77 1k5g n LEU 208 Cb 1.27 -0.16 0.73 0.00 -0.11 0.00 0.00 43.42 45.15 1k5g n LEU 208 CO 0.09 -0.16 1.19 -0.07 -1.51 0.00 0.00 177.39 176.92 1k5g h LEU 209 N 0.00 0.00 -0.28 2.23 3.38 -0.90 -2.01 115.31 117.74 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 -0.17 1.21 0.09 0.00 0.00 178.44 179.57 1k5g n GLU 210 N -3.70 4.13 0.00 1.13 4.07 0.04 -4.78 120.64 121.53 1k5g n GLU 210 Ca 0.08 -0.19 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1k5g n GLU 210 Cb 0.66 -0.81 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 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 0.92 0.89 0.24 8.31 0.00 -0.88 -4.64 105.19 110.03 1k5g n GLY 211 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 0.19 0.30 0.99 7.99 -0.70 -0.86 117.00 124.90 1k5g n LEU 212 Ca 0.00 1.25 0.08 0.00 -0.01 0.00 0.00 56.01 57.32 1k5g n LEU 212 Cb 0.00 -0.58 0.40 0.00 -0.11 0.00 0.00 43.42 43.14 1k5g n LEU 212 CO 0.00 -1.37 1.01 0.00 -1.51 0.00 0.00 177.39 175.52 1k5g h ALA 213 N 1.50 1.57 0.00 -1.18 0.00 -1.62 0.85 119.26 120.38 1k5g h ALA 213 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1k5g h ALA 213 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1k5g h ALA 213 CO -0.60 -0.57 -0.56 0.66 0.00 0.00 0.00 179.25 178.18 1k5g n TYR 214 N -2.56 0.01 -1.50 0.00 4.02 -0.04 -4.48 117.16 112.61 1k5g n TYR 214 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1k5g n TYR 214 Cb 0.63 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 1k5g n TYR 214 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k5g n GLN 216 N 2.21 0.00 0.14 0.00 6.02 -1.26 0.54 117.38 125.04 1k5g n GLN 216 Ca 0.60 0.97 0.13 0.00 -0.01 0.00 0.00 57.00 58.70 1k5g n GLN 216 Cb 0.44 -2.31 0.40 0.00 1.02 0.00 0.00 30.24 29.79 1k5g n GLN 216 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1k5g h GLU 217 N 0.00 0.00 -5.51 -1.09 4.39 -1.80 -3.39 114.58 107.18 1k5g h GLU 217 Ca 0.72 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.67 1k5g h GLU 217 Cb 3.21 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 31.89 1k5g h GLU 217 CO -0.01 0.00 0.22 -0.11 -1.16 0.00 0.00 179.01 177.95 1k5g n LEU 218 N -2.47 0.32 -0.07 1.33 7.94 0.19 -4.73 117.00 119.50 1k5g n LEU 218 Ca 0.04 1.07 -0.13 0.00 -1.11 0.00 0.00 56.01 55.89 1k5g n LEU 218 Cb 0.40 -0.83 -0.06 0.00 0.53 0.00 0.00 43.42 43.46 1k5g n LEU 218 CO 0.29 -1.47 -0.98 0.29 -1.11 0.00 0.00 177.39 174.40 1k5g n LYS 219 N 2.04 0.33 -4.06 1.96 5.02 0.22 -3.51 118.16 120.16 1k5g n LYS 219 Ca 0.21 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 1k5g n LYS 219 Cb 0.04 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.07 -0.08 -0.18 1.01 0.90 -0.32 120.40 120.52 1k5g s VAL 220 Ca -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1k5g s VAL 220 Cb 0.06 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1k5g s VAL 220 CO 0.29 0.37 -0.06 -0.22 0.00 0.00 0.00 175.10 175.48 1k5g s LEU 221 N 1.46 1.14 -0.14 3.92 2.96 -0.84 -1.24 118.68 125.94 1k5g s LEU 221 Ca 0.01 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1k5g s LEU 221 Cb -0.13 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.91 1k5g s LEU 221 CO -0.06 -0.10 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.17 1k5g s ASP 222 N 1.47 2.59 -0.18 3.68 -1.08 -1.01 -1.52 116.67 120.60 1k5g s ASP 222 Ca -0.01 -0.50 0.13 0.00 -0.52 0.00 0.00 52.55 51.66 1k5g s ASP 222 Cb -0.13 -0.98 0.39 0.00 -1.46 0.00 0.00 42.92 40.74 1k5g s ASP 222 CO -0.04 -0.12 1.20 0.18 0.52 0.00 0.00 175.17 176.90 1k5g n LEU 223 N 4.86 2.54 -4.53 -1.34 4.77 -0.64 -1.67 117.00 120.99 1k5g n LEU 223 Ca -0.14 -3.63 -0.44 0.00 -0.03 0.00 0.00 56.01 51.78 1k5g n LEU 223 Cb 0.49 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1k5g n LEU 223 CO 0.18 1.21 0.37 1.67 -1.33 0.00 0.00 177.39 179.49 1k5g n GLN 224 N -1.12 0.97 -3.55 3.23 7.27 -1.18 -3.56 117.38 119.44 1k5g n GLN 224 Ca 0.18 0.34 -0.20 0.00 0.07 0.00 0.00 57.00 57.39 1k5g n GLN 224 Cb 0.70 -1.66 0.07 0.00 2.41 0.00 0.00 30.24 31.76 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 1.28 -2.39 -4.06 1.69 2.03 -0.24 -0.25 116.55 114.61 1k5g n ASP 225 Ca 0.11 -0.68 -0.20 0.00 0.52 0.00 0.00 54.79 54.55 1k5g n ASP 225 Cb 0.33 -4.75 -0.15 0.00 -0.72 0.00 0.00 41.12 35.83 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 -4.20 1.31 -0.25 1.67 0.01 -1.23 -3.91 114.94 108.34 1k5g s ASN 226 Ca 0.10 -0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 1k5g s ASN 226 Cb -0.04 -0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.47 1k5g s ASN 226 CO 0.76 0.12 1.41 -0.89 -1.51 0.00 0.00 177.10 177.00 1k5g s THR 227 N -0.32 3.99 -0.07 1.60 2.01 -0.97 -4.19 115.64 117.69 1k5g s THR 227 Ca 0.04 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.11 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 -0.36 -0.11 0.49 -0.69 0.00 0.00 174.62 173.94 1k5g n PHE 228 N 7.76 0.20 -3.64 4.92 3.01 0.11 -1.59 117.46 128.23 1k5g n PHE 228 Ca 0.16 0.09 0.04 0.00 1.01 0.00 0.00 57.45 58.74 1k5g n PHE 228 Cb 0.46 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.31 0.00 -0.35 4.37 -2.24 -0.60 -1.63 114.28 110.53 1k5g n THR 229 Ca -0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1k5g n THR 229 Cb 0.17 -0.09 0.23 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.24 1.13 0.04 4.78 -0.00 -1.83 -0.56 115.15 118.47 1k5g h HIS 230 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1k5g h HIS 230 Cb 0.24 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 1k5g h HIS 230 CO 0.00 0.52 -0.02 1.25 -0.00 0.00 0.00 177.93 179.68 1k5g h LEU 231 N 1.05 -0.05 -0.28 0.26 5.85 -1.91 -1.48 115.31 118.75 1k5g h LEU 231 Ca 0.45 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1k5g h LEU 231 Cb 0.33 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1k5g h LEU 231 CO -0.20 0.07 0.18 1.23 -0.34 0.00 0.00 178.44 179.37 1k5g h GLY 232 N -0.16 0.40 0.47 3.75 0.00 -0.75 -2.78 103.07 104.01 1k5g h GLY 232 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1k5g h GLY 232 CO 0.01 0.16 -0.28 1.76 0.00 0.00 0.00 176.54 178.18 1k5g h SER 233 N 0.37 -0.82 -0.99 0.19 0.02 -1.02 -0.40 113.55 110.91 1k5g h SER 233 Ca 0.10 0.10 0.21 0.00 -0.84 0.00 0.00 61.79 61.36 1k5g h SER 233 Cb -0.01 0.31 -0.11 0.00 0.14 0.00 0.00 62.40 62.73 1k5g h SER 233 CO -0.02 -0.37 0.59 0.28 -1.14 0.00 0.00 176.83 176.17 1k5g h SER 234 N -0.48 0.72 0.93 3.07 0.02 -1.18 0.76 113.55 117.39 1k5g h SER 234 Ca 0.04 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1k5g h SER 234 Cb 0.52 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1k5g h SER 234 CO -0.18 0.21 -0.45 0.00 -1.14 0.00 0.00 176.83 175.27 1k5g h ALA 235 N 1.67 -1.26 -0.87 3.77 0.00 -1.06 -1.85 119.26 119.67 1k5g h ALA 235 Ca 0.59 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1k5g h ALA 235 Cb 0.99 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1k5g h ALA 235 CO -0.42 -1.17 0.31 1.25 0.00 0.00 0.00 179.25 179.23 1k5g h LEU 236 N -1.33 0.18 0.35 0.00 5.85 0.71 0.04 115.31 121.11 1k5g h LEU 236 Ca -0.13 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1k5g h LEU 236 Cb 0.96 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1k5g h LEU 236 CO 0.21 -0.06 -0.29 0.00 -0.34 0.00 0.00 178.44 177.96 1k5g h ALA 237 N 1.72 -0.65 -0.42 1.25 0.00 0.68 -1.22 119.26 120.63 1k5g h ALA 237 Ca 0.54 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1k5g h ALA 237 Cb 1.04 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1k5g h ALA 237 CO -0.57 -0.89 0.12 0.82 0.00 0.00 0.00 179.25 178.73 1k5g h ILE 238 N -0.65 0.84 0.00 0.00 2.04 -0.28 -2.83 117.51 116.63 1k5g h ILE 238 Ca -0.03 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1k5g h ILE 238 Cb 0.57 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1k5g h ILE 238 CO -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 178.15 178.00 1k5g h ALA 239 N 1.29 1.39 -1.01 1.87 0.00 -0.80 -3.28 119.26 118.72 1k5g h ALA 239 Ca 0.20 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.19 1k5g h ALA 239 Cb 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1k5g h ALA 239 CO -0.22 0.22 0.60 -0.07 0.00 0.00 0.00 179.25 179.78 1k5g h LEU 240 N 0.00 0.68 -0.50 0.00 3.38 -0.96 0.24 115.31 118.15 1k5g h LEU 240 Ca -0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1k5g h LEU 240 Cb 0.39 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1k5g h LEU 240 CO 0.02 0.12 0.00 2.29 0.09 0.00 0.00 178.44 180.96 1k5g n LYS 241 N -4.86 0.06 0.14 1.13 2.85 -1.24 -2.01 118.16 114.23 1k5g n LYS 241 Ca 0.26 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 58.16 1k5g n LYS 241 Cb 0.74 -1.67 0.16 0.00 -0.65 0.00 0.00 35.03 33.61 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 -3.91 -5.58 0.02 -0.76 -3.41 113.55 99.91 1k5g h SER 242 Ca 0.00 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.23 1k5g h SER 242 Cb 0.05 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.21 1k5g h SER 242 CO 0.00 0.02 -0.41 0.26 -1.14 0.00 0.00 176.83 175.57 1k5g s TRP 243 N -3.23 3.47 0.09 3.45 0.51 -0.85 -4.25 118.94 118.13 1k5g s TRP 243 Ca 0.05 -2.98 -0.18 0.00 -2.12 0.00 0.00 56.10 50.86 1k5g s TRP 243 Cb 0.09 -3.04 -0.07 0.00 -0.81 0.00 0.00 33.47 29.64 1k5g s TRP 243 CO 0.70 -0.75 1.57 -1.35 -0.51 0.00 0.00 176.95 176.61 1k5g h PRO 244 N 6.45 0.43 -1.12 4.98 0.11 -1.81 -2.69 132.00 138.35 1k5g h PRO 244 Ca 0.03 -0.11 -0.19 0.00 0.11 0.00 0.00 66.00 65.83 1k5g h PRO 244 Cb 0.88 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.83 1k5g h PRO 244 CO 0.73 0.55 0.25 0.09 -0.21 0.00 0.00 178.00 179.41 1k5g n ASN 245 N -4.68 3.79 -4.76 -2.05 3.02 -1.26 -4.50 115.26 104.82 1k5g n ASN 245 Ca -0.03 -2.62 -0.41 0.00 -0.03 0.00 0.00 54.58 51.49 1k5g n ASN 245 Cb 0.20 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 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 -1.19 4.49 0.00 3.41 2.96 -1.02 -4.10 118.68 123.23 1k5g s LEU 246 Ca 0.20 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 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 -0.34 0.00 0.54 -1.32 0.00 0.00 176.35 175.27 1k5g n ARG 247 N 1.41 2.01 -4.10 1.98 1.74 0.56 -3.42 116.66 116.85 1k5g n ARG 247 Ca 0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1k5g n ARG 247 Cb 0.44 -0.73 -0.17 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.39 1.07 -0.29 5.56 2.12 -1.08 -0.28 118.70 124.41 1k5g s GLU 248 Ca 0.00 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.20 1k5g s GLU 248 Cb 0.00 -1.12 0.08 0.00 0.26 0.00 0.00 34.13 33.36 1k5g s GLU 248 CO 0.00 -0.15 0.03 -1.17 -0.54 0.00 0.00 175.26 173.43 1k5g s LEU 249 N 1.26 2.99 -0.46 2.70 2.96 -0.66 -1.99 118.68 125.48 1k5g s LEU 249 Ca -0.05 -1.58 -0.14 0.00 -0.22 0.00 0.00 54.13 52.13 1k5g s LEU 249 Cb -0.14 -1.17 0.07 0.00 0.50 0.00 0.00 46.19 45.45 1k5g s LEU 249 CO -0.02 -0.34 0.36 -0.83 -1.32 0.00 0.00 176.35 174.20 1k5g s GLY 250 N 1.36 2.03 -0.15 7.98 0.00 -0.58 -0.99 107.32 116.97 1k5g s GLY 250 Ca 0.04 -2.07 0.18 0.00 0.00 0.00 0.00 44.72 42.87 1k5g s GLY 250 CO -0.13 1.02 1.26 1.04 0.00 0.00 0.00 173.10 176.29 1k5g n LEU 251 N 5.15 2.97 -4.73 0.66 4.77 0.48 -1.61 117.00 124.69 1k5g n LEU 251 Ca -0.12 -3.07 -0.42 0.00 -0.03 0.00 0.00 56.01 52.37 1k5g n LEU 251 Cb 0.44 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1k5g n LEU 251 CO 0.45 0.70 1.27 0.59 -1.33 0.00 0.00 177.39 179.07 1k5g n ASN 252 N -1.07 3.79 -0.80 -1.43 5.03 -1.15 -2.57 115.26 117.06 1k5g n ASN 252 Ca 0.18 1.12 -0.08 0.00 0.87 0.00 0.00 54.58 56.67 1k5g n ASN 252 Cb 0.74 -1.57 -0.01 0.00 -1.02 0.00 0.00 39.78 37.92 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 2.78 -3.25 -1.08 6.41 10.43 -1.14 -1.08 116.55 129.61 1k5g n ASP 253 Ca 0.11 0.06 0.10 0.00 2.57 0.00 0.00 54.79 57.64 1k5g n ASP 253 Cb 0.35 -2.17 0.22 0.00 1.84 0.00 0.00 41.12 41.37 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 1.33 -2.07 -0.37 0.00 4.77 -1.21 0.09 117.00 119.53 1k5g n LEU 255 Ca 0.19 -0.95 0.30 0.00 -0.03 0.00 0.00 56.01 55.52 1k5g n LEU 255 Cb 0.56 -2.24 0.61 0.00 -2.33 0.00 0.00 43.42 40.02 1k5g n LEU 255 CO 0.14 0.37 1.26 -0.07 -1.33 0.00 0.00 177.39 177.76 1k5g h LEU 256 N -1.73 0.28 0.00 2.23 3.38 -1.84 -1.58 115.31 116.05 1k5g h LEU 256 Ca -0.60 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1k5g h LEU 256 Cb 1.38 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1k5g h LEU 256 CO 0.71 -0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.69 1k5g n SER 257 N -4.52 -0.21 -0.29 -0.43 3.41 -0.53 -3.45 113.62 107.60 1k5g n SER 257 Ca 0.29 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1k5g n SER 257 Cb 1.15 0.58 0.26 0.00 -0.26 0.00 0.00 64.21 65.95 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 1.24 -0.15 7.33 0.00 -1.69 0.26 119.26 126.24 1k5g h ALA 258 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1k5g h ALA 258 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1k5g h ALA 258 CO 0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 179.25 178.38 1k5g h ARG 259 N 0.31 0.42 0.52 0.00 3.08 -1.90 -2.42 114.38 114.40 1k5g h ARG 259 Ca 0.51 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1k5g h ARG 259 Cb 0.95 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.03 1k5g h ARG 259 CO -0.55 0.83 -0.25 0.78 -1.07 0.00 0.00 179.97 179.70 1k5g h GLY 260 N 1.19 -0.73 0.13 0.04 0.00 -0.60 -2.80 103.07 100.30 1k5g h GLY 260 Ca 0.01 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.74 1k5g h GLY 260 CO 0.09 -0.27 0.17 0.00 0.00 0.00 0.00 176.54 176.53 1k5g h ALA 261 N -0.91 0.82 -0.91 3.60 0.00 -1.16 0.19 119.26 120.87 1k5g h ALA 261 Ca -0.07 0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1k5g h ALA 261 Cb 0.60 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 1k5g h ALA 261 CO 0.12 -0.29 -0.23 0.00 0.00 0.00 0.00 179.25 178.85 1k5g h ALA 262 N 1.51 0.59 -0.03 0.00 0.00 -1.37 0.48 119.26 120.44 1k5g h ALA 262 Ca 0.35 0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.58 1k5g h ALA 262 Cb 0.54 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k5g h ALA 262 CO -0.42 -0.40 -0.13 0.00 0.00 0.00 0.00 179.25 178.30 1k5g h ALA 263 N 1.90 0.05 -0.53 0.00 0.00 -0.48 -2.11 119.26 118.09 1k5g h ALA 263 Ca 0.44 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1k5g h ALA 263 Cb 0.67 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1k5g h ALA 263 CO -0.94 -0.02 0.07 0.28 0.00 0.00 0.00 179.25 178.63 1k5g h VAL 264 N -0.46 0.65 0.35 0.00 2.07 0.63 1.46 116.25 120.94 1k5g h VAL 264 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1k5g h VAL 264 Cb 0.79 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1k5g h VAL 264 CO 0.03 0.04 -0.27 0.58 0.02 0.00 0.00 177.57 177.96 1k5g h VAL 265 N 0.19 0.43 -0.83 2.57 2.07 -0.17 -0.35 116.25 120.17 1k5g h VAL 265 Ca 0.27 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.99 1k5g h VAL 265 Cb 0.40 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.48 1k5g h VAL 265 CO -0.39 0.00 0.28 -0.78 0.02 0.00 0.00 177.57 176.70 1k5g h ASP 266 N -0.62 0.16 -0.27 0.57 1.82 -0.16 0.49 116.42 118.41 1k5g h ASP 266 Ca -0.03 0.15 0.06 0.00 -0.39 0.00 0.00 57.03 56.83 1k5g h ASP 266 Cb 0.54 0.17 -0.08 0.00 0.68 0.00 0.00 39.33 40.65 1k5g h ASP 266 CO -0.01 -0.02 -0.37 0.00 -1.61 0.00 0.00 179.24 177.23 1k5g h ALA 267 N 1.67 -0.38 -0.68 -0.78 0.00 0.35 0.01 119.26 119.45 1k5g h ALA 267 Ca 0.49 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.51 1k5g h ALA 267 Cb 0.90 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 1k5g h ALA 267 CO -0.53 -0.82 0.38 0.74 0.00 0.00 0.00 179.25 179.02 1k5g h PHE 268 N -0.36 0.69 -1.13 0.00 -1.00 0.29 -2.24 116.94 113.19 1k5g h PHE 268 Ca 0.12 0.03 0.38 0.00 2.81 0.00 0.00 57.97 61.31 1k5g h PHE 268 Cb 0.57 -0.21 -0.14 0.00 3.61 0.00 0.00 35.95 39.77 1k5g h PHE 268 CO -0.51 0.33 0.68 1.03 -1.61 0.00 0.00 178.31 178.23 1k5g h SER 269 N 0.69 0.36 1.32 2.17 0.87 0.69 0.46 113.55 120.11 1k5g h SER 269 Ca 0.31 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1k5g h SER 269 Cb 0.20 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1k5g h SER 269 CO -0.19 -0.21 -0.69 0.11 -0.53 0.00 0.00 176.83 175.32 1k5g h LYS 270 N 0.16 0.00 -7.25 2.24 1.57 -1.11 -3.47 116.57 108.72 1k5g h LYS 270 Ca 0.79 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 59.06 1k5g h LYS 270 Cb 2.14 0.00 0.20 0.00 0.08 0.00 0.00 32.23 34.65 1k5g h LYS 270 CO -0.55 0.06 0.19 -0.51 -0.57 0.00 0.00 179.45 178.07 1k5g s LEU 271 N -5.74 2.58 0.23 2.94 1.43 0.16 -5.03 118.68 115.24 1k5g s LEU 271 Ca 0.02 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1k5g s LEU 271 Cb 0.08 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 1k5g s LEU 271 CO 0.75 -3.29 -0.13 -0.70 0.23 0.00 0.00 176.35 173.21 1k5g s GLU 272 N -4.62 1.41 -1.39 1.70 2.12 -1.26 -4.82 118.70 111.84 1k5g s GLU 272 Ca 0.67 -1.65 -0.14 0.00 0.36 0.00 0.00 54.97 54.21 1k5g s GLU 272 Cb -0.23 -1.20 0.02 0.00 0.26 0.00 0.00 34.13 32.97 1k5g s GLU 272 CO 0.59 0.18 0.33 0.09 -0.54 0.00 0.00 175.26 175.90 1k5g n ASN 273 N -0.44 -1.34 -4.61 -1.70 3.02 -1.26 -4.80 115.26 104.13 1k5g n ASN 273 Ca -0.07 -1.25 -0.43 0.00 -0.03 0.00 0.00 54.58 52.80 1k5g n ASN 273 Cb 0.61 -1.83 -0.02 0.00 -0.61 0.00 0.00 39.78 37.92 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 -3.99 3.74 -0.40 2.41 1.01 -1.25 -4.84 121.20 117.87 1k5g s ILE 274 Ca 0.21 0.78 0.15 0.00 0.00 0.00 0.00 60.65 61.79 1k5g s ILE 274 Cb -0.11 -3.88 0.81 0.00 0.01 0.00 0.00 42.46 39.29 1k5g s ILE 274 CO 0.97 -0.48 1.73 0.61 0.00 0.00 0.00 174.94 177.77 1k5g n GLY 275 N 4.98 2.94 3.64 6.18 0.00 -1.26 -4.43 105.19 117.24 1k5g n GLY 275 Ca 0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 0.71 2.94 0.00 0.99 7.94 -1.22 -4.64 117.00 123.73 1k5g n LEU 276 Ca 0.27 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.30 1k5g n LEU 276 Cb 1.15 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1k5g n LEU 276 CO 0.31 -1.06 -0.16 0.00 -1.11 0.00 0.00 177.39 175.37 1k5g n GLN 277 N 0.35 3.82 -3.20 1.96 6.02 0.62 -3.01 117.38 123.93 1k5g n GLN 277 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.10 1k5g n GLN 277 Cb 0.37 -0.60 -0.01 0.00 1.02 0.00 0.00 30.24 31.01 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 -1.12 -0.86 -0.26 5.09 -1.32 -0.49 -0.77 115.64 115.91 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 2.87 3.41 -0.43 9.08 2.96 -0.57 -1.66 118.68 134.34 1k5g s LEU 279 Ca 0.14 -0.84 -0.15 0.00 -0.22 0.00 0.00 54.13 53.06 1k5g s LEU 279 Cb -0.14 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.87 1k5g s LEU 279 CO -0.19 -0.15 0.32 -0.13 -1.32 0.00 0.00 176.35 174.88 1k5g s ARG 280 N 1.37 2.95 -0.17 1.98 0.52 -0.16 -2.64 118.95 122.80 1k5g s ARG 280 Ca 0.01 -1.15 0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1k5g s ARG 280 Cb -0.17 -4.00 0.36 0.00 0.52 0.00 0.00 34.95 31.66 1k5g s ARG 280 CO -0.02 -0.85 1.19 1.28 0.02 0.00 0.00 175.30 176.92 1k5g n LEU 281 N 5.15 2.51 -4.36 2.53 4.77 0.48 -0.39 117.00 127.69 1k5g n LEU 281 Ca -0.12 -3.53 -0.30 0.00 -0.03 0.00 0.00 56.01 52.04 1k5g n LEU 281 Cb 0.46 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 41.29 1k5g n LEU 281 CO 0.43 1.11 -0.04 0.00 -1.33 0.00 0.00 177.39 177.56 1k5g n GLN 282 N -1.20 -2.11 -3.62 3.23 6.02 -0.53 -4.15 117.38 115.02 1k5g n GLN 282 Ca 0.17 -0.59 -0.03 0.00 -0.01 0.00 0.00 57.00 56.54 1k5g n GLN 282 Cb 0.68 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 -4.73 -0.09 -1.11 1.08 4.02 -1.03 -2.89 117.16 112.40 1k5g n TYR 283 Ca 0.01 0.01 0.06 0.00 -0.01 0.00 0.00 57.90 57.98 1k5g n TYR 283 Cb 0.58 -0.17 0.09 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.69 1.74 -1.15 7.72 3.02 -1.26 -3.35 115.26 122.68 1k5g n ASN 284 Ca -0.01 -2.64 -0.14 0.00 -0.03 0.00 0.00 54.58 51.75 1k5g n ASN 284 Cb 0.04 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 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 -0.97 -1.58 -1.68 3.52 1.02 -1.26 -1.45 120.64 118.24 1k5g n GLU 285 Ca 0.10 0.98 -0.46 0.00 -0.02 0.00 0.00 57.16 57.76 1k5g n GLU 285 Cb 0.59 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 26.63 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 -2.19 0.13 -3.50 -3.67 5.41 -1.26 -3.41 119.36 110.88 1k5g n ILE 286 Ca -0.14 -0.02 -0.25 0.00 1.00 0.00 0.00 62.75 63.33 1k5g n ILE 286 Cb 0.60 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 37.82 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 1.64 3.51 0.25 0.38 2.02 -1.26 -1.51 118.70 123.72 1k5g s GLU 287 Ca 0.81 -0.32 -0.14 0.00 0.02 0.00 0.00 54.97 55.34 1k5g s GLU 287 Cb -0.64 -2.72 0.32 0.00 0.10 0.00 0.00 34.13 31.18 1k5g s GLU 287 CO 0.40 0.24 1.56 1.25 0.02 0.00 0.00 175.26 178.73 1k5g h LEU 288 N 1.22 -1.16 -1.62 1.80 7.12 -1.93 -0.05 115.31 120.69 1k5g h LEU 288 Ca -0.49 0.29 0.23 0.00 0.13 0.00 0.00 57.88 58.04 1k5g h LEU 288 Cb 1.21 0.67 -0.06 0.00 -0.53 0.00 0.00 40.66 41.94 1k5g h LEU 288 CO 0.64 -0.30 0.63 0.44 -0.13 0.00 0.00 178.44 179.71 1k5g h ASP 289 N -0.01 0.31 0.03 1.25 5.19 -1.94 0.44 116.42 121.68 1k5g h ASP 289 Ca 0.39 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 1k5g h ASP 289 Cb 0.64 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.14 1k5g h ASP 289 CO -0.96 0.11 -0.45 0.00 -3.12 0.00 0.00 179.24 174.82 1k5g h ALA 290 N 1.59 0.01 -0.20 3.45 0.00 -1.39 -3.03 119.26 119.69 1k5g h ALA 290 Ca 0.48 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k5g h ALA 290 Cb 1.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1k5g h ALA 290 CO -0.15 0.22 0.11 0.28 0.00 0.00 0.00 179.25 179.71 1k5g h VAL 291 N -0.41 1.06 0.56 0.00 2.07 -0.65 0.47 116.25 119.34 1k5g h VAL 291 Ca -0.07 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1k5g h VAL 291 Cb 1.24 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1k5g h VAL 291 CO 0.09 0.06 -0.30 0.03 0.02 0.00 0.00 177.57 177.47 1k5g h ARG 292 N 0.27 -0.77 -0.38 1.57 2.47 -0.21 -1.92 114.38 115.40 1k5g h ARG 292 Ca 0.07 0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1k5g h ARG 292 Cb -0.00 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1k5g h ARG 292 CO -0.01 -0.51 0.07 1.15 0.56 0.00 0.00 179.97 181.22 1k5g h THR 293 N -0.80 1.24 -1.00 2.04 2.02 -1.22 -2.39 112.91 112.80 1k5g h THR 293 Ca -0.07 -0.84 0.22 0.00 0.77 0.00 0.00 66.41 66.48 1k5g h THR 293 Cb 0.63 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.99 1k5g h THR 293 CO 0.10 0.29 0.62 0.25 0.37 0.00 0.00 175.52 177.14 1k5g h LEU 294 N 0.48 0.66 0.14 2.58 5.85 -0.03 -0.65 115.31 124.34 1k5g h LEU 294 Ca 0.12 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1k5g h LEU 294 Cb 0.35 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1k5g h LEU 294 CO 0.01 0.20 -0.09 0.50 -0.34 0.00 0.00 178.44 178.71 1k5g h LYS 295 N 0.62 -0.21 -1.04 1.25 3.64 -0.81 0.59 116.57 120.61 1k5g h LYS 295 Ca 0.58 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 60.26 1k5g h LYS 295 Cb 1.10 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1k5g h LYS 295 CO -0.36 -0.14 0.62 1.79 -2.27 0.00 0.00 179.45 179.09 1k5g h THR 296 N -0.22 0.43 -0.15 1.00 1.35 -1.36 0.21 112.91 114.17 1k5g h THR 296 Ca -0.02 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 1k5g h THR 296 Cb 0.18 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 1k5g h THR 296 CO 0.02 0.08 0.05 0.58 -0.25 0.00 0.00 175.52 175.99 1k5g h VAL 297 N 0.43 1.18 -0.92 6.82 2.07 -0.79 0.33 116.25 125.37 1k5g h VAL 297 Ca 0.67 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1k5g h VAL 297 Cb 1.52 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1k5g h VAL 297 CO -0.47 0.17 0.57 0.40 0.02 0.00 0.00 177.57 178.26 1k5g h ILE 298 N 0.07 0.99 0.58 4.57 2.04 0.17 0.21 117.51 126.13 1k5g h ILE 298 Ca 0.05 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1k5g h ILE 298 Cb 0.22 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1k5g h ILE 298 CO -0.00 0.18 -0.28 -0.78 0.00 0.00 0.00 178.15 177.27 1k5g h ASP 299 N 0.98 -0.66 0.15 1.72 3.58 -0.32 -2.44 116.42 119.43 1k5g h ASP 299 Ca 0.42 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 1k5g h ASP 299 Cb 0.29 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1k5g h ASP 299 CO -0.21 -0.33 -0.07 -0.33 -2.88 0.00 0.00 179.24 175.41 1k5g h GLU 300 N -1.05 -0.20 -0.03 0.28 5.08 -0.27 -3.39 114.58 114.99 1k5g h GLU 300 Ca -0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k5g h GLU 300 Cb 0.59 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1k5g h GLU 300 CO 0.13 0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.89 1k5g n LYS 301 N -5.03 1.48 -2.81 2.33 5.02 0.72 -4.72 118.16 115.14 1k5g n LYS 301 Ca -0.09 -1.57 -0.27 0.00 -2.02 0.00 0.00 58.31 54.37 1k5g n LYS 301 Cb 0.22 -1.34 -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 1.00 3.30 0.29 1.97 2.81 -0.92 -3.90 117.12 121.66 1k5g n MET 302 Ca 0.10 -4.77 0.10 0.00 -1.81 0.00 0.00 57.70 51.33 1k5g n MET 302 Cb 0.44 -2.24 0.56 0.00 -0.71 0.00 0.00 33.22 31.27 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 2.87 0.00 -0.07 0.03 0.13 -1.77 -2.14 132.00 131.05 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 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1k5g h PRO 303 CO 0.83 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1k5g n ASP 304 N -2.59 2.60 -4.68 1.44 8.00 -1.26 -4.98 116.55 115.08 1k5g n ASP 304 Ca -0.01 -1.78 -0.50 0.00 0.71 0.00 0.00 54.79 53.21 1k5g n ASP 304 Cb 0.47 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.04 3.14 -0.02 0.64 7.94 -0.81 -4.53 117.00 124.40 1k5g n LEU 305 Ca 0.11 1.01 0.01 0.00 -1.11 0.00 0.00 56.01 56.03 1k5g n LEU 305 Cb 0.46 -1.33 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 1k5g n LEU 305 CO 0.12 -0.19 -0.67 0.18 -1.11 0.00 0.00 177.39 175.71 1k5g n LEU 306 N 5.78 0.00 -3.92 -1.96 4.77 0.05 -4.35 117.00 117.37 1k5g n LEU 306 Ca 0.22 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1k5g n LEU 306 Cb 0.26 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1k5g n LEU 306 CO 0.73 0.09 -0.40 -0.36 -1.33 0.00 0.00 177.39 176.12 1k5g s PHE 307 N -2.41 0.47 0.11 -1.77 0.40 -1.13 -2.75 117.98 110.90 1k5g s PHE 307 Ca -0.04 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1k5g s PHE 307 Cb 0.04 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 1k5g s PHE 307 CO 0.34 -0.06 -0.11 -1.17 0.70 0.00 0.00 175.22 174.92 1k5g s LEU 308 N 0.27 2.43 -0.26 -0.37 2.96 -0.65 -1.51 118.68 121.55 1k5g s LEU 308 Ca -0.03 -0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 53.02 1k5g s LEU 308 Cb -0.06 -0.38 0.15 0.00 0.50 0.00 0.00 46.19 46.40 1k5g s LEU 308 CO -0.00 -0.25 0.40 -1.61 -1.32 0.00 0.00 176.35 173.57 1k5g s GLU 309 N -2.95 0.39 0.00 1.98 2.02 -1.08 -2.81 118.70 116.25 1k5g s GLU 309 Ca 0.09 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1k5g s GLU 309 Cb -0.02 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.85 1k5g s GLU 309 CO 0.01 -0.79 0.54 1.28 0.02 0.00 0.00 175.26 176.33 1k5g n LEU 310 N 5.36 1.08 -4.64 1.80 4.77 -1.26 -0.39 117.00 123.73 1k5g n LEU 310 Ca -0.02 -1.08 -0.48 0.00 -0.03 0.00 0.00 56.01 54.40 1k5g n LEU 310 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1k5g n LEU 310 CO 0.03 0.27 1.05 -3.20 -1.33 0.00 0.00 177.39 174.21 1k5g n ASN 311 N -0.06 2.51 0.00 -1.43 5.15 -1.26 -2.68 115.26 117.48 1k5g n ASN 311 Ca 0.00 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 1k5g n ASN 311 Cb 0.04 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 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 2.89 0.83 0.00 8.20 0.00 -1.26 -2.47 105.19 113.38 1k5g n GLY 312 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.04 -3.74 1.61 3.02 -1.09 -3.20 115.26 111.82 1k5g n ASN 313 Ca 0.00 -0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 53.83 1k5g n ASN 313 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.36 4.64 -3.64 3.52 1.74 -0.57 -0.01 116.66 121.98 1k5g n ARG 314 Ca 0.00 -4.64 -0.08 0.00 -0.77 0.00 0.00 57.85 52.36 1k5g n ARG 314 Cb 0.00 -2.46 -0.07 0.00 -1.02 0.00 0.00 32.46 28.92 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 -3.45 -0.81 0.33 -1.55 -0.12 -1.26 -3.64 117.98 107.48 1k5g s PHE 315 Ca 0.36 1.73 -0.28 0.00 -0.05 0.00 0.00 56.93 58.69 1k5g s PHE 315 Cb 0.13 0.45 -0.13 0.00 -0.63 0.00 0.00 43.02 42.84 1k5g s PHE 315 CO -0.01 -0.40 1.27 0.45 -0.05 0.00 0.00 175.22 176.48 1k5g n SER 316 N 3.47 2.59 0.23 1.98 2.88 -1.26 -4.86 113.62 118.64 1k5g n SER 316 Ca -0.17 1.20 0.16 0.00 -1.33 0.00 0.00 58.87 58.72 1k5g n SER 316 Cb 0.57 -1.46 0.81 0.00 -0.75 0.00 0.00 64.21 63.38 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 2.64 0.00 0.00 -1.46 4.22 -1.99 -2.88 114.58 115.11 1k5g h GLU 317 Ca -0.45 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.97 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 -1.96 -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 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1k5g h GLU 318 CO 0.00 0.39 0.00 -0.25 -1.16 0.00 0.00 179.01 177.99 1k5g n ASP 319 N -4.69 0.00 -0.31 1.42 10.43 -1.09 -4.71 116.55 117.61 1k5g n ASP 319 Ca -0.06 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.22 1k5g n ASP 319 Cb 0.22 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.11 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 -0.77 -0.27 -2.24 8.00 -1.26 -1.77 116.55 118.24 1k5g n ASP 320 Ca 0.00 1.30 0.17 0.00 0.71 0.00 0.00 54.79 56.96 1k5g n ASP 320 Cb 0.00 -0.17 0.32 0.00 -0.02 0.00 0.00 41.12 41.25 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 -4.91 -0.34 0.01 2.53 0.24 -1.26 -1.46 118.33 113.14 1k5g n VAL 321 Ca 0.02 1.73 -0.05 0.00 -2.04 0.00 0.00 64.34 64.00 1k5g n VAL 321 Cb 0.19 -2.62 -0.03 0.00 -1.47 0.00 0.00 33.84 29.91 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 -0.94 3.34 2.07 -1.63 0.14 116.25 119.24 1k5g h VAL 322 Ca 0.56 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.26 1k5g h VAL 322 Cb 1.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1k5g h VAL 322 CO -0.71 0.00 0.52 0.44 0.02 0.00 0.00 177.57 177.84 1k5g h ASP 323 N -0.20 0.63 -0.68 0.57 3.32 -1.43 0.20 116.42 118.83 1k5g h ASP 323 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1k5g h ASP 323 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1k5g h ASP 323 CO -0.11 0.21 0.45 -0.33 -1.72 0.00 0.00 179.24 177.74 1k5g h GLU 324 N 0.66 0.75 0.10 3.56 5.08 -0.89 0.63 114.58 124.47 1k5g h GLU 324 Ca 0.54 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1k5g h GLU 324 Cb 0.85 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1k5g h GLU 324 CO -0.40 0.50 -0.05 0.82 -1.00 0.00 0.00 179.01 178.88 1k5g h ILE 325 N 0.77 1.10 -0.90 3.13 2.04 0.21 -1.95 117.51 121.91 1k5g h ILE 325 Ca 0.28 -1.27 0.12 0.00 1.00 0.00 0.00 64.86 64.99 1k5g h ILE 325 Cb 0.13 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 1k5g h ILE 325 CO -0.08 0.28 0.58 0.03 0.00 0.00 0.00 178.15 178.96 1k5g h ARG 326 N -0.78 0.77 -0.30 2.37 2.47 -0.76 -0.85 114.38 117.30 1k5g h ARG 326 Ca -0.01 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1k5g h ARG 326 Cb 0.57 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1k5g h ARG 326 CO 0.02 0.51 0.14 1.49 0.56 0.00 0.00 179.97 182.69 1k5g h GLU 327 N 0.79 0.44 -0.62 0.04 4.22 0.31 -2.49 114.58 117.27 1k5g h GLU 327 Ca 0.44 -0.07 0.11 0.00 0.08 0.00 0.00 59.36 59.92 1k5g h GLU 327 Cb 0.58 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 1k5g h GLU 327 CO -0.20 0.43 0.19 0.28 -2.18 0.00 0.00 179.01 177.53 1k5g h VAL 328 N 0.35 0.70 -0.14 0.32 2.07 -0.34 -0.39 116.25 118.82 1k5g h VAL 328 Ca 0.10 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1k5g h VAL 328 Cb 0.14 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1k5g h VAL 328 CO -0.01 0.06 -0.37 -0.26 0.02 0.00 0.00 177.57 177.01 1k5g h PHE 329 N 0.35 0.36 0.34 1.57 0.05 -1.41 -2.71 116.94 115.48 1k5g h PHE 329 Ca 0.32 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 62.01 1k5g h PHE 329 Cb 0.45 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.32 1k5g h PHE 329 CO -0.20 0.64 -0.16 0.77 -0.18 0.00 0.00 178.31 179.18 1k5g h SER 330 N 0.26 -0.38 -0.70 2.17 0.02 -0.65 0.36 113.55 114.62 1k5g h SER 330 Ca 0.03 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1k5g h SER 330 Cb 0.78 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 1k5g h SER 330 CO 0.06 -0.16 0.46 0.74 -1.14 0.00 0.00 176.83 176.79 1k5g h THR 331 N -0.59 0.91 0.02 -2.27 2.02 -1.20 -1.73 112.91 110.08 1k5g h THR 331 Ca -0.05 -0.19 -0.24 0.00 0.77 0.00 0.00 66.41 66.70 1k5g h THR 331 Cb 0.43 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1k5g h THR 331 CO 0.08 0.10 -1.01 0.03 0.37 0.00 0.00 175.52 175.09 1k5g h ARG 332 N 0.56 0.46 0.00 6.66 3.08 -1.18 -3.47 114.38 120.49 1k5g h ARG 332 Ca 0.32 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1k5g h ARG 332 Cb 0.52 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1k5g h ARG 332 CO -0.11 1.18 0.00 0.41 -1.07 0.00 0.00 179.97 180.38 1k5g n GLY 333 N 1.06 1.04 2.69 0.04 0.00 0.12 -5.00 105.19 105.14 1k5g n GLY 333 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.58 0.14 0.00 1.61 3.52 -1.07 -4.99 118.95 117.58 1k5g s ARG 334 Ca 0.00 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1k5g s ARG 334 Cb 0.00 -0.92 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 1k5g s ARG 334 CO 0.00 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 1k5g n GLY 335 N 5.25 -0.13 0.00 8.12 0.00 -1.26 -4.69 105.19 112.47 1k5g n GLY 335 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.82 0.00 -3.26 1.61 2.13 -1.11 -4.92 120.64 114.27 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 -1.64 118.68 127.98 1k5g s LEU 337 Ca 0.00 0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 1k5g s LEU 337 Cb 0.00 -3.77 0.16 0.00 0.50 0.00 0.00 46.19 43.08 1k5g s LEU 337 CO 0.00 -0.17 1.20 1.51 -1.32 0.00 0.00 176.35 177.56 1k5g s ASP 338 N -2.64 3.70 -0.29 3.68 -4.77 -1.12 -4.93 116.67 110.29 1k5g s ASP 338 Ca 0.48 0.16 -0.25 0.00 -3.30 0.00 0.00 52.55 49.64 1k5g s ASP 338 Cb -0.11 -0.38 0.00 0.00 -1.09 0.00 0.00 42.92 41.35 1k5g s ASP 338 CO 0.24 -2.34 0.87 -1.61 0.70 0.00 0.00 175.17 173.03 1k5g s GLU 339 N -5.61 4.05 -0.93 2.11 0.41 -1.26 -4.90 118.70 112.56 1k5g s GLU 339 Ca 0.70 0.81 -0.06 0.00 -0.41 0.00 0.00 54.97 56.00 1k5g s GLU 339 Cb -0.05 -3.71 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 1k5g s GLU 339 CO 0.50 -0.69 2.90 1.28 -0.49 0.00 0.00 175.26 178.76 1k5g n LEU 340 N 6.30 7.30 -1.48 1.80 4.77 -1.26 -4.73 117.00 129.71 1k5g n LEU 340 Ca 0.06 -4.20 -0.09 0.00 -0.03 0.00 0.00 56.01 51.75 1k5g n LEU 340 Cb 0.48 -1.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1k5g n LEU 340 CO 0.51 1.92 0.83 -0.90 -1.33 0.00 0.00 177.39 178.42 1k5g n ASP 341 N 2.21 3.65 -0.76 -1.43 5.68 -1.26 -4.19 116.55 120.45 1k5g n ASP 341 Ca 0.60 -2.60 -0.04 0.00 -0.50 0.00 0.00 54.79 52.24 1k5g n ASP 341 Cb 0.45 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 39.72 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 0.02 -0.55 -4.46 -1.12 2.03 -1.26 -5.05 116.55 106.16 1k5g n ASP 342 Ca 0.21 -1.46 -0.43 0.00 0.52 0.00 0.00 54.79 53.63 1k5g n ASP 342 Cb 0.86 0.17 -0.00 0.00 -0.72 0.00 0.00 41.12 41.43 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 0.61 -1.58 -0.67 2.81 -1.26 -4.31 117.12 112.72 1k5g n MET 343 Ca -0.15 0.22 -0.31 0.00 -1.81 0.00 0.00 57.70 55.65 1k5g n MET 343 Cb 0.58 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.66 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 -1.47 2.95 0.00 0.03 2.12 0.98 -4.95 118.70 118.36 1k5g s GLU 344 Ca 0.62 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1k5g s GLU 344 Cb -0.67 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1k5g s GLU 344 CO 0.58 -1.09 0.00 0.39 -0.54 0.00 0.00 175.26 174.60