#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6k h THR 27 N 0.00 0.89 0.10 3.84 1.03 -2.05 0.37 112.91 117.09 1h6k h THR 27 Ca 0.00 -0.26 0.02 0.00 -0.01 0.00 0.00 66.41 66.16 1h6k h THR 27 Cb 0.00 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.13 1h6k h THR 27 CO 0.00 0.14 -0.20 -0.33 -0.01 0.00 0.00 175.52 175.12 1h6k h GLU 28 N 0.75 -0.36 -0.66 0.00 5.08 -2.02 0.37 114.58 117.73 1h6k h GLU 28 Ca 0.39 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1h6k h GLU 28 Cb 0.38 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1h6k h GLU 28 CO -0.26 -0.24 0.44 -0.44 -1.00 0.00 0.00 179.01 177.51 1h6k h ASP 29 N -0.38 0.70 -0.07 1.42 3.45 -1.72 -1.38 116.42 118.44 1h6k h ASP 29 Ca 0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1h6k h ASP 29 Cb 0.40 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1h6k h ASP 29 CO -0.12 0.49 0.01 -0.74 -1.57 0.00 0.00 179.24 177.30 1h6k h HIS 30 N 0.81 0.13 -0.52 4.55 2.76 0.63 -1.86 115.15 121.65 1h6k h HIS 30 Ca 0.26 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 1h6k h HIS 30 Cb 0.04 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1h6k h HIS 30 CO -0.00 0.35 0.23 -0.07 -1.30 0.00 0.00 177.93 177.15 1h6k h LEU 31 N -0.13 0.30 -0.97 0.26 4.07 0.18 -0.34 115.31 118.67 1h6k h LEU 31 Ca 0.02 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.09 1h6k h LEU 31 Cb 0.30 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 1h6k h LEU 31 CO 0.00 0.20 0.62 -0.08 -1.08 0.00 0.00 178.44 178.11 1h6k h GLU 32 N 0.45 1.11 -0.26 1.13 4.81 -1.17 -0.69 114.58 119.96 1h6k h GLU 32 Ca 0.24 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1h6k h GLU 32 Cb 0.21 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1h6k h GLU 32 CO -0.20 0.73 0.06 1.03 -0.73 0.00 0.00 179.01 179.90 1h6k h SER 33 N 1.14 0.39 -0.10 1.04 0.87 -0.30 0.17 113.55 116.76 1h6k h SER 33 Ca 0.42 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1h6k h SER 33 Cb 0.15 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1h6k h SER 33 CO -0.17 0.52 0.05 -0.07 -0.53 0.00 0.00 176.83 176.63 1h6k h LEU 34 N 0.24 0.07 -0.94 2.23 3.38 -0.59 -0.83 115.31 118.87 1h6k h LEU 34 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1h6k h LEU 34 Cb 0.28 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1h6k h LEU 34 CO 0.00 0.06 0.39 0.40 0.09 0.00 0.00 178.44 179.38 1h6k h ILE 35 N 0.11 1.25 -0.09 1.22 2.04 -1.06 -2.29 117.51 118.68 1h6k h ILE 35 Ca 0.04 -0.69 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1h6k h ILE 35 Cb 0.01 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1h6k h ILE 35 CO -0.03 0.29 -0.46 0.00 0.00 0.00 0.00 178.15 177.96 1h6k h LYS 37 N 0.18 0.00 -6.52 0.00 1.57 -0.85 -3.48 116.57 107.48 1h6k h LYS 37 Ca 0.01 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.20 1h6k h LYS 37 Cb 0.88 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.26 1h6k h LYS 37 CO 0.07 0.00 0.62 1.55 -0.57 0.00 0.00 179.45 181.12 1h6k n VAL 38 N -2.64 0.60 -0.02 0.50 3.14 -0.89 -1.09 118.33 117.94 1h6k n VAL 38 Ca 0.01 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1h6k n VAL 38 Cb 0.54 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 1h6k n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1h6k n GLY 39 N 2.53 0.32 3.95 7.55 0.00 -1.26 -5.05 105.19 113.24 1h6k n GLY 39 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1h6k n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h6k s GLU 40 N -0.91 1.99 -0.43 1.61 2.02 -0.25 -4.95 118.70 117.78 1h6k s GLU 40 Ca 0.00 -0.57 -0.40 0.00 0.02 0.00 0.00 54.97 54.02 1h6k s GLU 40 Cb 0.00 -2.24 -0.17 0.00 0.10 0.00 0.00 34.13 31.82 1h6k s GLU 40 CO 0.00 -1.30 1.51 0.36 0.02 0.00 0.00 175.26 175.85 1h6k n LYS 41 N -2.87 0.00 -3.82 1.61 2.85 -1.26 -4.93 118.16 109.74 1h6k n LYS 41 Ca 0.10 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.26 1h6k n LYS 41 Cb 0.60 -1.30 -0.07 0.00 -0.65 0.00 0.00 35.03 33.60 1h6k n LYS 41 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1h6k s SER 42 N 3.27 0.02 0.33 -5.58 0.15 -1.26 -5.03 113.70 105.61 1h6k s SER 42 Ca 0.95 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1h6k s SER 42 Cb -1.30 0.33 0.18 0.00 -1.71 0.00 0.00 66.02 63.52 1h6k s SER 42 CO 0.68 -0.66 1.41 0.00 1.20 0.00 0.00 173.24 175.87 1h6k h ALA 43 N 3.05 0.81 -2.45 5.45 0.00 -2.06 -3.45 119.26 120.61 1h6k h ALA 43 Ca -0.33 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 1h6k h ALA 43 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1h6k h ALA 43 CO 0.51 0.19 -0.48 0.00 0.00 0.00 0.00 179.25 179.47 1h6k s SER 45 N -3.47 2.70 0.15 0.00 1.04 -1.26 -4.78 113.70 108.07 1h6k s SER 45 Ca 0.34 1.86 -0.15 0.00 0.48 0.00 0.00 55.95 58.48 1h6k s SER 45 Cb -0.10 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1h6k s SER 45 CO 0.27 -3.18 1.71 0.25 0.98 0.00 0.00 173.24 173.27 1h6k h LEU 46 N -1.92 0.62 -0.58 2.42 5.85 -1.97 -0.41 115.31 119.31 1h6k h LEU 46 Ca -0.49 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.14 1h6k h LEU 46 Cb 1.28 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1h6k h LEU 46 CO 0.47 0.59 0.31 -0.33 -0.34 0.00 0.00 178.44 179.14 1h6k h GLU 47 N 0.60 0.57 -0.37 1.25 3.07 -1.96 0.57 114.58 118.32 1h6k h GLU 47 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1h6k h GLU 47 Cb 0.15 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1h6k h GLU 47 CO -0.02 0.38 0.12 1.03 -1.40 0.00 0.00 179.01 179.12 1h6k h SER 48 N 0.59 0.54 -0.46 1.42 0.87 -1.85 -0.42 113.55 114.23 1h6k h SER 48 Ca 0.26 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1h6k h SER 48 Cb 0.15 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1h6k h SER 48 CO -0.17 0.59 0.06 0.78 -0.53 0.00 0.00 176.83 177.56 1h6k h ASN 49 N 0.45 0.74 0.25 6.23 -0.26 -0.42 -0.29 115.58 122.28 1h6k h ASN 49 Ca 0.12 -0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1h6k h ASN 49 Cb 0.24 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1h6k h ASN 49 CO -0.00 0.82 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.99 1h6k h LEU 50 N 0.62 -0.29 -0.51 1.61 3.38 0.25 -0.90 115.31 119.47 1h6k h LEU 50 Ca 0.14 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1h6k h LEU 50 Cb 0.41 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1h6k h LEU 50 CO 0.01 -0.10 0.21 -0.08 0.09 0.00 0.00 178.44 178.57 1h6k h GLU 51 N -0.47 0.39 -0.81 1.13 4.57 -1.05 -0.22 114.58 118.12 1h6k h GLU 51 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1h6k h GLU 51 Cb 0.35 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1h6k h GLU 51 CO 0.06 0.26 0.51 0.78 -1.18 0.00 0.00 179.01 179.43 1h6k h GLY 52 N 0.40 1.15 0.99 1.92 0.00 -0.92 -1.92 103.07 104.71 1h6k h GLY 52 Ca 0.24 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1h6k h GLY 52 CO -0.22 0.44 0.11 -2.00 0.00 0.00 0.00 176.54 174.87 1h6k h LEU 53 N 1.10 0.82 -0.91 3.11 5.85 -0.45 -1.20 115.31 123.63 1h6k h LEU 53 Ca 0.29 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1h6k h LEU 53 Cb -0.08 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 1h6k h LEU 53 CO -0.06 0.86 0.59 0.00 -0.34 0.00 0.00 178.44 179.49 1h6k h ALA 54 N 0.99 1.22 -0.53 1.25 0.00 -0.64 0.33 119.26 121.87 1h6k h ALA 54 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1h6k h ALA 54 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1h6k h ALA 54 CO 0.01 0.43 -0.10 0.78 0.00 0.00 0.00 179.25 180.37 1h6k h GLY 55 N 1.13 1.08 1.04 0.00 0.00 -1.12 -1.08 103.07 104.11 1h6k h GLY 55 Ca 0.37 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1h6k h GLY 55 CO -0.13 0.78 0.05 -2.08 0.00 0.00 0.00 176.54 175.16 1h6k h VAL 56 N 0.89 1.26 -0.13 4.60 2.07 -0.05 -2.16 116.25 122.72 1h6k h VAL 56 Ca 0.14 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1h6k h VAL 56 Cb 0.65 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1h6k h VAL 56 CO 0.05 0.38 -0.06 -0.07 0.02 0.00 0.00 177.57 177.89 1h6k h LEU 57 N 0.87 0.29 -0.78 2.57 3.38 -0.24 -3.09 115.31 118.31 1h6k h LEU 57 Ca 0.17 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1h6k h LEU 57 Cb 0.48 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1h6k h LEU 57 CO 0.02 0.63 0.44 -0.08 0.09 0.00 0.00 178.44 179.54 1h6k h GLU 58 N -0.06 0.74 0.00 1.13 4.81 -1.15 -0.18 114.58 119.87 1h6k h GLU 58 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1h6k h GLU 58 Cb 0.52 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1h6k h GLU 58 CO 0.02 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1h6k n ALA 59 N -2.37 1.46 0.23 2.92 0.00 -0.82 -1.66 120.51 120.27 1h6k n ALA 59 Ca 0.12 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1h6k n ALA 59 Cb 0.24 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.55 1h6k n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1h6k n ASP 60 N -1.81 2.50 -0.33 0.00 8.00 -0.12 -4.61 116.55 120.18 1h6k n ASP 60 Ca 0.02 -1.73 -0.04 0.00 0.71 0.00 0.00 54.79 53.75 1h6k n ASP 60 Cb 0.14 -0.11 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 1h6k n ASP 60 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1h6k h LEU 61 N 2.48 1.10 -1.98 0.64 3.38 -0.86 0.26 115.31 120.33 1h6k h LEU 61 Ca 0.00 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.04 1h6k h LEU 61 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1h6k h LEU 61 CO 0.00 0.87 0.40 1.55 0.09 0.00 0.00 178.44 181.35 1h6k h PRO 62 N 1.25 0.02 0.00 1.13 0.13 -1.81 -2.31 132.00 130.40 1h6k h PRO 62 Ca 0.32 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1h6k h PRO 62 Cb -0.01 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1h6k h PRO 62 CO -0.06 0.01 -0.55 0.09 -0.23 0.00 0.00 178.00 177.27 1h6k n ASN 63 N -4.38 2.77 -0.19 1.44 5.03 -1.10 -4.82 115.26 114.01 1h6k n ASN 63 Ca 0.10 -0.19 0.04 0.00 0.87 0.00 0.00 54.58 55.40 1h6k n ASN 63 Cb 0.62 0.94 0.05 0.00 -1.02 0.00 0.00 39.78 40.37 1h6k n ASN 63 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1h6k n TYR 64 N -1.21 0.00 -0.22 3.10 4.01 0.88 -4.84 117.16 118.89 1h6k n TYR 64 Ca 0.00 -0.45 0.02 0.00 -0.16 0.00 0.00 57.90 57.31 1h6k n TYR 64 Cb 0.00 -0.08 0.12 0.00 -0.31 0.00 0.00 39.34 39.07 1h6k n TYR 64 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1h6k h LYS 65 N 0.00 0.16 -0.13 -0.72 3.64 -1.50 0.54 116.57 118.56 1h6k h LYS 65 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h6k h LYS 65 Cb 1.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1h6k h LYS 65 CO 0.00 0.10 0.07 1.03 -2.27 0.00 0.00 179.45 178.39 1h6k h SER 66 N 0.16 0.15 -0.08 4.20 0.87 -1.88 0.59 113.55 117.57 1h6k h SER 66 Ca 0.35 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1h6k h SER 66 Cb 0.57 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1h6k h SER 66 CO -0.52 0.17 -0.03 0.50 -0.53 0.00 0.00 176.83 176.42 1h6k h LYS 67 N 0.13 -0.02 -0.94 2.24 1.63 -1.54 -2.24 116.57 115.81 1h6k h LYS 67 Ca 0.05 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1h6k h LYS 67 Cb 0.05 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 1h6k h LYS 67 CO -0.01 -0.01 0.60 0.82 -3.45 0.00 0.00 179.45 177.40 1h6k h ILE 68 N -0.02 1.09 -0.81 2.00 2.04 0.33 -1.00 117.51 121.14 1h6k h ILE 68 Ca 0.04 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1h6k h ILE 68 Cb 0.09 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.01 1h6k h ILE 68 CO -0.09 0.20 0.44 -0.07 0.00 0.00 0.00 178.15 178.63 1h6k h LEU 69 N 1.11 1.02 -0.21 1.44 3.38 -0.66 -2.19 115.31 119.20 1h6k h LEU 69 Ca 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1h6k h LEU 69 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1h6k h LEU 69 CO -0.16 0.83 0.01 -0.09 0.09 0.00 0.00 178.44 179.11 1h6k h ARG 70 N 1.13 0.36 -0.86 1.13 2.43 -0.66 -1.65 114.38 116.26 1h6k h ARG 70 Ca 0.29 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1h6k h ARG 70 Cb 0.04 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1h6k h ARG 70 CO -0.05 0.54 0.55 -0.07 -1.51 0.00 0.00 179.97 179.44 1h6k h LEU 71 N 0.13 1.00 -0.16 3.80 3.38 -1.10 -0.34 115.31 122.02 1h6k h LEU 71 Ca 0.06 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1h6k h LEU 71 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1h6k h LEU 71 CO 0.01 0.74 -0.31 -0.07 0.09 0.00 0.00 178.44 178.90 1h6k h LEU 72 N 1.17 0.55 -1.42 1.67 3.38 -1.32 -1.91 115.31 117.43 1h6k h LEU 72 Ca 0.31 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1h6k h LEU 72 Cb -0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1h6k h LEU 72 CO -0.06 1.00 0.43 0.00 0.09 0.00 0.00 178.44 179.89 1h6k h THR 74 N 0.75 1.27 0.00 0.00 2.02 -0.84 -2.28 112.91 113.83 1h6k h THR 74 Ca 0.26 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1h6k h THR 74 Cb 0.11 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1h6k h THR 74 CO -0.08 0.26 -0.14 -0.37 0.37 0.00 0.00 175.52 175.57 1h6k h VAL 75 N -0.02 0.47 -0.12 3.16 -1.51 -0.95 0.14 116.25 117.41 1h6k h VAL 75 Ca 0.04 -0.72 -0.11 0.00 -1.23 0.00 0.00 66.70 64.68 1h6k h VAL 75 Cb 0.41 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1h6k h VAL 75 CO 0.01 0.14 -0.40 0.00 -1.23 0.00 0.00 177.57 176.09 1h6k h ALA 76 N 1.86 1.10 0.01 5.19 0.00 -0.88 -1.63 119.26 124.91 1h6k h ALA 76 Ca -0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 1h6k h ALA 76 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1h6k h ALA 76 CO 0.02 0.59 -1.80 2.89 0.00 0.00 0.00 179.25 180.94 1h6k n ARG 77 N -4.03 0.64 0.00 0.00 1.85 -0.58 -4.19 116.66 110.36 1h6k n ARG 77 Ca -0.01 0.26 0.08 0.00 -1.00 0.00 0.00 57.85 57.18 1h6k n ARG 77 Cb 0.47 -1.76 -0.13 0.00 -1.05 0.00 0.00 32.46 29.99 1h6k n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1h6k n LEU 78 N -3.03 0.20 -2.98 2.89 4.77 0.37 -4.65 117.00 114.57 1h6k n LEU 78 Ca -0.19 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1h6k n LEU 78 Cb 1.06 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1h6k n LEU 78 CO 0.45 0.03 0.03 0.18 -1.33 0.00 0.00 177.39 176.75 1h6k n LEU 79 N -2.42 3.35 0.25 2.23 4.32 -0.61 -4.88 117.00 119.23 1h6k n LEU 79 Ca -0.07 -5.40 0.08 0.00 -0.02 0.00 0.00 56.01 50.60 1h6k n LEU 79 Cb 0.65 -0.15 0.62 0.00 -1.62 0.00 0.00 43.42 42.92 1h6k n LEU 79 CO 0.44 2.31 0.99 1.55 -1.22 0.00 0.00 177.39 181.46 1h6k h PRO 80 N 2.96 0.00 -0.10 3.23 0.13 -1.82 -0.77 132.00 135.63 1h6k h PRO 80 Ca 0.13 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1h6k h PRO 80 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1h6k h PRO 80 CO 0.72 0.09 0.11 1.05 -0.23 0.00 0.00 178.00 179.74 1h6k h GLU 81 N 0.00 0.00 -0.52 0.86 9.09 -1.90 0.14 114.58 122.25 1h6k h GLU 81 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1h6k h GLU 81 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1h6k h GLU 81 CO 0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.70 1h6k n LYS 82 N -3.88 4.26 -0.34 1.06 5.02 -0.30 -4.79 118.16 119.19 1h6k n LYS 82 Ca -0.00 -3.03 -0.08 0.00 -2.02 0.00 0.00 58.31 53.17 1h6k n LYS 82 Cb 0.22 -2.10 -0.05 0.00 -0.02 0.00 0.00 35.03 33.08 1h6k n LYS 82 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1h6k h LEU 83 N 3.54 -1.82 -1.44 -0.35 5.85 -0.97 -1.41 115.31 118.71 1h6k h LEU 83 Ca 0.00 0.30 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1h6k h LEU 83 Cb 1.75 0.84 -0.00 0.00 0.37 0.00 0.00 40.66 43.62 1h6k h LEU 83 CO 0.38 -0.28 -0.03 0.71 -0.34 0.00 0.00 178.44 178.88 1h6k h THR 84 N -0.08 0.07 -0.20 1.05 1.35 -1.85 -1.04 112.91 112.21 1h6k h THR 84 Ca 0.20 -0.58 -0.08 0.00 -0.55 0.00 0.00 66.41 65.41 1h6k h THR 84 Cb 0.51 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1h6k h THR 84 CO -0.87 0.03 -0.18 0.40 -0.25 0.00 0.00 175.52 174.64 1h6k h ILE 85 N 0.00 1.33 -0.11 6.82 2.04 -1.60 -2.93 117.51 123.06 1h6k h ILE 85 Ca -0.00 -1.33 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 1h6k h ILE 85 Cb 0.53 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1h6k h ILE 85 CO 0.00 0.41 -0.72 1.88 0.00 0.00 0.00 178.15 179.72 1h6k h TYR 86 N 0.16 0.71 -0.46 1.37 0.05 -1.00 -1.92 116.97 115.88 1h6k h TYR 86 Ca 0.03 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.44 1h6k h TYR 86 Cb 0.72 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1h6k h TYR 86 CO 0.08 1.08 -0.00 1.79 -1.05 0.00 0.00 178.16 180.06 1h6k h THR 87 N 0.37 1.24 -0.39 -2.88 1.35 -1.31 -1.36 112.91 109.93 1h6k h THR 87 Ca -0.03 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1h6k h THR 87 Cb 1.31 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1h6k h THR 87 CO 0.13 0.35 0.25 0.74 -0.25 0.00 0.00 175.52 176.74 1h6k h THR 88 N 0.71 1.11 -0.57 6.82 2.02 -1.35 0.10 112.91 121.75 1h6k h THR 88 Ca 0.14 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1h6k h THR 88 Cb 0.44 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1h6k h THR 88 CO 0.02 0.11 0.34 0.25 0.37 0.00 0.00 175.52 176.61 1h6k h LEU 89 N 0.52 0.54 -0.66 2.58 5.85 -0.90 0.06 115.31 123.30 1h6k h LEU 89 Ca 0.14 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1h6k h LEU 89 Cb -0.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1h6k h LEU 89 CO -0.03 0.37 0.32 0.58 -0.34 0.00 0.00 178.44 179.35 1h6k h VAL 90 N 0.66 1.22 -0.81 1.05 2.07 -0.85 -0.72 116.25 118.88 1h6k h VAL 90 Ca 0.24 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1h6k h VAL 90 Cb 0.05 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1h6k h VAL 90 CO -0.11 0.26 0.49 1.23 0.02 0.00 0.00 177.57 179.46 1h6k h GLY 91 N 0.92 1.21 1.22 2.17 0.00 0.27 0.16 103.07 109.02 1h6k h GLY 91 Ca 0.23 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1h6k h GLY 91 CO -0.03 0.24 -0.61 1.41 0.00 0.00 0.00 176.54 177.55 1h6k h LEU 92 N 0.90 0.91 -0.23 3.11 3.38 -0.53 -1.90 115.31 120.95 1h6k h LEU 92 Ca 0.35 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1h6k h LEU 92 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1h6k h LEU 92 CO -0.17 1.31 0.08 0.25 0.09 0.00 0.00 178.44 180.00 1h6k h LEU 93 N 0.60 0.33 -1.26 1.67 5.85 -0.82 -2.57 115.31 119.11 1h6k h LEU 93 Ca -0.00 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1h6k h LEU 93 Cb 1.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1h6k h LEU 93 CO 0.13 0.42 0.54 -1.13 -0.34 0.00 0.00 178.44 178.07 1h6k h ASN 94 N 0.22 0.76 0.45 1.25 -1.24 -0.62 0.14 115.58 116.54 1h6k h ASN 94 Ca 0.08 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 1h6k h ASN 94 Cb 0.20 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1h6k h ASN 94 CO -0.00 0.46 -0.14 0.00 -1.29 0.00 0.00 177.43 176.45 1h6k h ALA 95 N 1.57 1.25 0.03 1.57 0.00 -1.05 -2.42 119.26 120.21 1h6k h ALA 95 Ca 0.38 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 1h6k h ALA 95 Cb 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1h6k h ALA 95 CO -0.15 0.18 -1.63 0.00 0.00 0.00 0.00 179.25 177.66 1h6k h ARG 96 N 0.00 0.07 -1.99 0.00 3.08 -0.45 -3.44 114.38 111.66 1h6k h ARG 96 Ca -0.00 -0.13 -0.28 0.00 0.07 0.00 0.00 59.98 59.64 1h6k h ARG 96 Cb 0.41 0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.19 1h6k h ARG 96 CO 0.02 0.75 -0.61 1.21 -1.07 0.00 0.00 179.97 180.27 1h6k s ASN 97 N -6.43 1.22 0.22 7.04 3.84 0.14 -5.03 114.94 115.94 1h6k s ASN 97 Ca -0.07 -0.68 -0.08 0.00 0.21 0.00 0.00 52.86 52.24 1h6k s ASN 97 Cb 0.08 0.71 0.19 0.00 -0.55 0.00 0.00 41.25 41.68 1h6k s ASN 97 CO 0.82 -0.37 1.84 0.22 -2.79 0.00 0.00 177.10 176.82 1h6k h TYR 98 N 8.16 1.19 -0.79 0.43 3.20 -1.72 -2.45 116.97 124.98 1h6k h TYR 98 Ca -0.11 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.77 1h6k h TYR 98 Cb 1.09 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 1h6k h TYR 98 CO 0.28 0.83 0.50 -0.91 -1.64 0.00 0.00 178.16 177.21 1h6k h ASN 99 N 1.20 0.81 -0.31 -2.11 4.21 -1.96 -1.78 115.58 115.64 1h6k h ASN 99 Ca 0.30 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.85 1h6k h ASN 99 Cb 0.05 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 1h6k h ASN 99 CO -0.05 0.55 0.10 0.15 -1.29 0.00 0.00 177.43 176.89 1h6k h PHE 100 N 0.95 0.17 -0.85 1.19 3.57 -1.81 -0.70 116.94 119.46 1h6k h PHE 100 Ca 0.32 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1h6k h PHE 100 Cb 0.06 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 1h6k h PHE 100 CO -0.03 0.07 0.50 0.78 -2.23 0.00 0.00 178.31 177.40 1h6k h GLY 101 N 0.23 1.32 0.98 2.40 0.00 -1.21 0.46 103.07 107.25 1h6k h GLY 101 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1h6k h GLY 101 CO -0.15 0.16 0.22 -1.33 0.00 0.00 0.00 176.54 175.44 1h6k h GLY 102 N 0.85 0.55 1.48 4.60 0.00 -0.50 -0.33 103.07 109.72 1h6k h GLY 102 Ca 0.40 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1h6k h GLY 102 CO -0.24 0.23 -0.10 0.83 0.00 0.00 0.00 176.54 177.26 1h6k h GLU 103 N 0.49 0.63 0.05 4.80 5.08 0.03 0.09 114.58 125.75 1h6k h GLU 103 Ca 0.13 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h6k h GLU 103 Cb 0.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1h6k h GLU 103 CO -0.02 0.72 -0.02 0.35 -1.00 0.00 0.00 179.01 179.03 1h6k h PHE 104 N 0.58 -0.06 -0.77 4.33 3.57 0.24 0.10 116.94 124.93 1h6k h PHE 104 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1h6k h PHE 104 Cb 0.52 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1h6k h PHE 104 CO 0.02 0.16 0.48 0.28 -2.23 0.00 0.00 178.31 177.03 1h6k h VAL 105 N -0.28 1.21 -0.29 1.41 2.07 -0.91 0.06 116.25 119.51 1h6k h VAL 105 Ca -0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1h6k h VAL 105 Cb 0.25 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1h6k h VAL 105 CO 0.01 0.21 0.17 -0.08 0.02 0.00 0.00 177.57 177.90 1h6k h GLU 106 N 1.05 0.40 0.00 1.57 4.81 -0.75 -1.93 114.58 119.73 1h6k h GLU 106 Ca 0.28 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1h6k h GLU 106 Cb -0.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1h6k h GLU 106 CO -0.06 0.33 -0.36 0.00 -0.73 0.00 0.00 179.01 178.19 1h6k h ALA 107 N 1.05 1.33 -0.33 2.92 0.00 -0.11 -2.55 119.26 121.57 1h6k h ALA 107 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1h6k h ALA 107 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h6k h ALA 107 CO -0.02 0.45 -0.34 0.52 0.00 0.00 0.00 179.25 179.86 1h6k h MET 108 N 0.00 0.82 -0.33 0.00 2.86 -0.56 0.12 114.93 117.84 1h6k h MET 108 Ca -0.00 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1h6k h MET 108 Cb 0.67 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1h6k h MET 108 CO 0.05 1.07 0.18 0.82 1.06 0.00 0.00 176.91 180.09 1h6k h ILE 109 N 0.60 1.02 -0.84 -1.22 1.08 -1.14 0.29 117.51 117.28 1h6k h ILE 109 Ca 0.05 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1h6k h ILE 109 Cb 0.93 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 1h6k h ILE 109 CO 0.08 0.07 0.49 0.03 -0.69 0.00 0.00 178.15 178.14 1h6k h ARG 110 N 0.38 1.16 -0.67 2.37 3.08 -1.25 -1.47 114.38 117.97 1h6k h ARG 110 Ca 0.13 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1h6k h ARG 110 Cb 0.02 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1h6k h ARG 110 CO -0.07 0.83 0.13 0.37 -1.07 0.00 0.00 179.97 180.15 1h6k h GLN 111 N 1.17 1.09 -0.20 0.04 5.75 -0.08 -1.37 115.11 121.51 1h6k h GLN 111 Ca 0.30 -0.28 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1h6k h GLN 111 Cb -0.02 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1h6k h GLN 111 CO -0.05 0.99 -0.06 1.25 -2.65 0.00 0.00 178.83 178.31 1h6k h LEU 112 N 1.02 -0.20 -0.43 -2.39 5.85 0.22 0.29 115.31 119.67 1h6k h LEU 112 Ca 0.21 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1h6k h LEU 112 Cb 0.41 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1h6k h LEU 112 CO 0.01 -0.07 0.25 0.11 -0.34 0.00 0.00 178.44 178.39 1h6k h LYS 113 N -0.01 0.48 -0.49 1.25 1.57 -1.06 -1.07 116.57 117.24 1h6k h LYS 113 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1h6k h LYS 113 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1h6k h LYS 113 CO -0.21 0.32 0.08 0.93 -0.57 0.00 0.00 179.45 179.99 1h6k h GLU 114 N 0.50 0.77 -0.25 3.15 3.07 -0.76 -0.44 114.58 120.61 1h6k h GLU 114 Ca 0.17 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1h6k h GLU 114 Cb 0.03 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1h6k h GLU 114 CO -0.09 0.73 -0.06 0.77 -1.40 0.00 0.00 179.01 178.96 1h6k h SER 115 N 0.73 0.48 -0.80 1.42 0.02 0.01 -1.91 113.55 113.50 1h6k h SER 115 Ca 0.16 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1h6k h SER 115 Cb 0.34 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1h6k h SER 115 CO 0.01 0.73 0.51 -0.07 -1.14 0.00 0.00 176.83 176.87 1h6k h LEU 116 N 0.22 0.94 -0.78 5.07 3.38 -0.98 0.30 115.31 123.46 1h6k h LEU 116 Ca 0.06 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1h6k h LEU 116 Cb 0.52 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1h6k h LEU 116 CO 0.02 0.70 0.48 0.50 0.09 0.00 0.00 178.44 180.23 1h6k h LYS 117 N 1.09 0.88 -0.32 1.13 1.63 -0.98 -1.12 116.57 118.88 1h6k h LYS 117 Ca 0.29 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1h6k h LYS 117 Cb -0.09 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.34 1h6k h LYS 117 CO -0.06 0.58 0.00 0.00 -3.45 0.00 0.00 179.45 176.52 1h6k n ALA 118 N -2.34 2.53 -2.10 5.00 0.00 -0.73 -4.85 120.51 118.02 1h6k n ALA 118 Ca 0.10 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1h6k n ALA 118 Cb 0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1h6k n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h6k n ASN 119 N -0.16 -5.27 -3.74 0.00 3.02 -0.42 -4.89 115.26 103.80 1h6k n ASN 119 Ca 0.03 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1h6k n ASN 119 Cb 0.15 -4.50 0.01 0.00 -0.61 0.00 0.00 39.78 34.82 1h6k n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1h6k n ASN 120 N -1.67 6.62 0.11 6.41 3.02 0.03 -4.75 115.26 125.04 1h6k n ASN 120 Ca -0.21 -3.28 0.03 0.00 -0.03 0.00 0.00 54.58 51.09 1h6k n ASN 120 Cb 0.65 -1.35 0.40 0.00 -0.61 0.00 0.00 39.78 38.87 1h6k n ASN 120 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1h6k h TYR 121 N 5.09 0.26 -0.29 3.10 0.05 -1.90 -1.43 116.97 121.86 1h6k h TYR 121 Ca 0.47 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.20 1h6k h TYR 121 Cb 0.48 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1h6k h TYR 121 CO 1.32 0.35 0.07 -0.91 -1.05 0.00 0.00 178.16 177.95 1h6k h ASN 122 N 0.25 0.44 0.20 3.88 4.21 -1.96 -1.52 115.58 121.07 1h6k h ASN 122 Ca 0.05 -0.23 -0.09 0.00 1.21 0.00 0.00 56.30 57.24 1h6k h ASN 122 Cb 0.33 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1h6k h ASN 122 CO 0.02 0.55 -0.35 -0.33 -1.29 0.00 0.00 177.43 176.03 1h6k h GLU 123 N 0.30 0.23 -0.56 0.81 5.08 -1.81 -2.76 114.58 115.87 1h6k h GLU 123 Ca 0.09 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1h6k h GLU 123 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1h6k h GLU 123 CO 0.00 0.56 0.15 0.00 -1.00 0.00 0.00 179.01 178.72 1h6k h ALA 124 N 1.44 1.22 -0.73 3.43 0.00 -0.88 -1.55 119.26 122.19 1h6k h ALA 124 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1h6k h ALA 124 Cb 0.72 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1h6k h ALA 124 CO 0.05 0.54 0.42 0.28 0.00 0.00 0.00 179.25 180.54 1h6k h VAL 125 N 0.82 0.97 -0.14 0.00 2.07 -0.98 -0.91 116.25 118.08 1h6k h VAL 125 Ca 0.18 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1h6k h VAL 125 Cb 0.27 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1h6k h VAL 125 CO -0.01 0.14 -0.33 1.88 0.02 0.00 0.00 177.57 179.27 1h6k h TYR 126 N 0.75 0.32 -0.33 1.57 0.05 -1.30 -0.10 116.97 117.94 1h6k h TYR 126 Ca 0.33 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.96 1h6k h TYR 126 Cb 0.22 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1h6k h TYR 126 CO -0.07 0.59 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.46 1h6k h LEU 127 N 0.25 0.66 -0.55 3.88 3.38 -0.75 -0.76 115.31 121.42 1h6k h LEU 127 Ca 0.03 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1h6k h LEU 127 Cb 0.71 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1h6k h LEU 127 CO 0.05 0.89 0.12 0.58 0.09 0.00 0.00 178.44 180.17 1h6k h VAL 128 N 0.43 1.25 -0.61 1.22 2.07 -0.71 -1.31 116.25 118.59 1h6k h VAL 128 Ca 0.08 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1h6k h VAL 128 Cb 0.61 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1h6k h VAL 128 CO 0.04 0.33 0.22 -0.09 0.02 0.00 0.00 177.57 178.09 1h6k h ARG 129 N 0.78 0.89 -0.38 1.57 2.43 -0.98 0.26 114.38 118.94 1h6k h ARG 129 Ca 0.17 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1h6k h ARG 129 Cb 0.36 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1h6k h ARG 129 CO 0.00 0.74 -0.01 0.35 -1.51 0.00 0.00 179.97 179.55 1h6k h PHE 130 N 0.87 0.75 -0.71 2.20 3.04 -0.72 0.64 116.94 123.01 1h6k h PHE 130 Ca 0.20 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 1h6k h PHE 130 Cb 0.20 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1h6k h PHE 130 CO 0.01 0.77 0.26 -0.07 -2.02 0.00 0.00 178.31 177.27 1h6k h LEU 131 N 0.50 1.00 0.24 0.59 3.38 -0.93 -0.73 115.31 119.37 1h6k h LEU 131 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1h6k h LEU 131 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1h6k h LEU 131 CO 0.02 0.92 -0.24 0.28 0.09 0.00 0.00 178.44 179.51 1h6k h SER 132 N 1.03 -0.64 0.27 -0.43 0.02 -0.51 -2.63 113.55 110.65 1h6k h SER 132 Ca 0.23 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1h6k h SER 132 Cb 0.25 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1h6k h SER 132 CO -0.01 -0.35 -0.24 -0.78 -1.14 0.00 0.00 176.83 174.30 1h6k h ASP 133 N -0.52 0.00 -0.03 3.07 3.58 -0.74 -1.43 116.42 120.35 1h6k h ASP 133 Ca -0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1h6k h ASP 133 Cb 0.48 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1h6k h ASP 133 CO -0.05 0.24 0.07 -0.07 -2.88 0.00 0.00 179.24 176.55 1h6k h LEU 134 N 0.00 0.00 -0.73 2.28 3.38 -0.75 0.43 115.31 119.92 1h6k h LEU 134 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 134 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1h6k h LEU 134 CO 0.03 0.00 0.06 0.58 0.09 0.00 0.00 178.44 179.20 1h6k h VAL 135 N 0.00 1.26 -0.02 1.22 2.07 -1.18 -0.43 116.25 119.17 1h6k h VAL 135 Ca 0.02 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1h6k h VAL 135 Cb 0.16 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1h6k h VAL 135 CO -0.00 0.39 -0.35 0.78 0.02 0.00 0.00 177.57 178.41 1h6k h ASN 136 N 0.96 0.04 0.06 0.57 2.35 -1.05 0.10 115.58 118.61 1h6k h ASN 136 Ca 0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1h6k h ASN 136 Cb 0.48 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1h6k h ASN 136 CO 0.02 0.39 -0.00 0.00 -1.65 0.00 0.00 177.43 176.18 1h6k n HIS 138 N -0.93 -1.92 -0.04 0.00 8.25 0.35 -4.68 115.22 116.24 1h6k n HIS 138 Ca 0.22 0.51 -0.10 0.00 -0.26 0.00 0.00 57.72 58.09 1h6k n HIS 138 Cb 0.15 -3.95 -0.15 0.00 1.12 0.00 0.00 29.99 27.16 1h6k n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h6k n VAL 139 N -4.31 1.56 -5.09 1.59 0.31 -0.22 -2.68 118.33 109.48 1h6k n VAL 139 Ca -0.08 -0.80 -0.29 0.00 -0.01 0.00 0.00 64.34 63.16 1h6k n VAL 139 Cb 0.59 -0.93 -0.16 0.00 -0.91 0.00 0.00 33.84 32.44 1h6k n VAL 139 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1h6k s ILE 140 N -2.56 1.80 0.20 2.52 1.01 -1.18 -0.40 121.20 122.57 1h6k s ILE 140 Ca -0.08 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 1h6k s ILE 140 Cb 0.07 -1.52 -0.09 0.00 0.01 0.00 0.00 42.46 40.94 1h6k s ILE 140 CO 0.82 0.51 1.28 0.00 0.00 0.00 0.00 174.94 177.54 1h6k s ALA 141 N -0.15 3.50 0.24 9.38 0.00 0.03 -4.17 121.76 130.59 1h6k s ALA 141 Ca -0.02 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 1h6k s ALA 141 Cb -0.12 -3.46 0.39 0.00 0.00 0.00 0.00 23.12 19.92 1h6k s ALA 141 CO 0.02 -0.49 1.61 0.00 0.00 0.00 0.00 175.76 176.90 1h6k h ALA 142 N 5.32 0.65 -0.21 0.00 0.00 -1.91 -0.47 119.26 122.64 1h6k h ALA 142 Ca -0.45 0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1h6k h ALA 142 Cb 1.21 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1h6k h ALA 142 CO 0.76 -0.42 0.22 -1.35 0.00 0.00 0.00 179.25 178.46 1h6k h PRO 143 N 0.04 0.00 -0.37 0.00 0.11 -1.97 -0.79 132.00 129.02 1h6k h PRO 143 Ca 0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.43 1h6k h PRO 143 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1h6k h PRO 143 CO -0.75 0.00 -0.08 0.77 -0.21 0.00 0.00 178.00 177.74 1h6k h SER 144 N 0.00 0.60 0.77 -2.05 0.02 -1.44 -1.26 113.55 110.20 1h6k h SER 144 Ca 0.10 -0.15 -0.25 0.00 -0.84 0.00 0.00 61.79 60.65 1h6k h SER 144 Cb 0.54 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1h6k h SER 144 CO -0.00 0.72 -1.21 0.24 -1.14 0.00 0.00 176.83 175.44 1h6k h MET 145 N 0.58 0.11 -0.59 3.45 2.86 -1.24 -2.14 114.93 117.96 1h6k h MET 145 Ca 0.11 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1h6k h MET 145 Cb 0.48 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1h6k h MET 145 CO 0.03 1.02 0.38 0.28 1.06 0.00 0.00 176.91 179.67 1h6k h VAL 146 N 0.03 1.11 -0.24 -2.22 2.07 -1.27 0.22 116.25 115.95 1h6k h VAL 146 Ca -0.10 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1h6k h VAL 146 Cb 1.88 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1h6k h VAL 146 CO 0.15 0.14 0.10 0.00 0.02 0.00 0.00 177.57 177.98 1h6k h ALA 147 N 1.24 0.32 -0.32 1.67 0.00 -1.21 0.43 119.26 121.39 1h6k h ALA 147 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1h6k h ALA 147 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1h6k h ALA 147 CO -0.07 -0.10 0.11 1.98 0.00 0.00 0.00 179.25 181.16 1h6k h MET 148 N 0.25 0.23 -0.06 0.00 -1.53 -0.92 0.08 114.93 112.98 1h6k h MET 148 Ca 0.08 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.27 1h6k h MET 148 Cb 0.16 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 1h6k h MET 148 CO -0.01 0.16 -0.24 0.74 0.14 0.00 0.00 176.91 177.70 1h6k h PHE 149 N 0.24 0.10 -0.39 1.39 0.04 -0.34 0.19 116.94 118.18 1h6k h PHE 149 Ca 0.14 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1h6k h PHE 149 Cb 0.12 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1h6k h PHE 149 CO -0.14 0.33 0.15 0.93 -0.60 0.00 0.00 178.31 178.98 1h6k h GLU 150 N 0.09 0.59 -0.22 1.51 5.08 -0.18 -0.53 114.58 120.92 1h6k h GLU 150 Ca 0.02 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1h6k h GLU 150 Cb 0.48 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1h6k h GLU 150 CO 0.03 0.57 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.56 1h6k h ASN 151 N 0.49 0.36 -0.21 1.42 2.35 0.30 -1.43 115.58 118.86 1h6k h ASN 151 Ca 0.13 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1h6k h ASN 151 Cb 0.21 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1h6k h ASN 151 CO -0.01 0.54 0.02 -0.26 -1.65 0.00 0.00 177.43 176.06 1h6k h PHE 152 N 0.34 0.38 -0.06 1.19 -1.00 -0.34 -3.13 116.94 114.32 1h6k h PHE 152 Ca 0.06 -0.06 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1h6k h PHE 152 Cb 0.47 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1h6k h PHE 152 CO 0.01 0.52 -0.33 0.28 -1.61 0.00 0.00 178.31 177.18 1h6k h VAL 153 N 0.13 1.26 0.00 -0.55 2.07 -0.78 -1.56 116.25 116.81 1h6k h VAL 153 Ca 0.06 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1h6k h VAL 153 Cb 0.36 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1h6k h VAL 153 CO 0.01 0.36 0.00 0.77 0.02 0.00 0.00 177.57 178.73 1h6k h SER 154 N 0.10 0.00 -0.03 0.57 4.64 -1.21 0.00 113.55 117.62 1h6k h SER 154 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1h6k h SER 154 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1h6k h SER 154 CO 0.05 0.00 -0.03 0.58 -0.87 0.00 0.00 176.83 176.55 1h6k h VAL 155 N 0.00 1.11 0.00 0.95 2.07 -1.31 -0.70 116.25 118.36 1h6k h VAL 155 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1h6k h VAL 155 Cb 0.17 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1h6k h VAL 155 CO 0.00 0.14 0.00 0.71 0.02 0.00 0.00 177.57 178.44 1h6k h THR 156 N 0.18 0.00 -0.03 2.57 1.35 -1.15 -1.27 112.91 114.56 1h6k h THR 156 Ca 0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1h6k h THR 156 Cb 0.18 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1h6k h THR 156 CO 0.01 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.23 1h6k n GLN 157 N -2.42 1.97 -1.24 4.72 1.13 -0.28 -4.96 117.38 116.30 1h6k n GLN 157 Ca -0.00 -1.71 -0.33 0.00 -1.94 0.00 0.00 57.00 53.02 1h6k n GLN 157 Cb 0.14 -1.42 0.11 0.00 0.11 0.00 0.00 30.24 29.18 1h6k n GLN 157 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1h6k s GLU 158 N -1.89 1.93 -0.04 -1.09 2.02 -0.48 -5.01 118.70 114.14 1h6k s GLU 158 Ca 0.25 1.56 0.01 0.00 0.02 0.00 0.00 54.97 56.80 1h6k s GLU 158 Cb 0.18 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1h6k s GLU 158 CO 0.30 -1.96 -0.03 -1.21 0.02 0.00 0.00 175.26 172.39 1h6k s GLU 159 N -4.31 2.77 -1.27 1.61 2.02 -1.26 -4.63 118.70 113.63 1h6k s GLU 159 Ca 0.69 -0.57 -0.05 0.00 0.02 0.00 0.00 54.97 55.06 1h6k s GLU 159 Cb -0.24 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.35 1h6k s GLU 159 CO 0.50 0.65 1.08 -0.25 0.02 0.00 0.00 175.26 177.26 1h6k n ASP 160 N 1.82 -4.24 -4.28 -0.19 8.00 -1.26 -5.03 116.55 111.36 1h6k n ASP 160 Ca -0.17 -0.57 -0.22 0.00 0.71 0.00 0.00 54.79 54.55 1h6k n ASP 160 Cb 0.53 -5.03 -0.12 0.00 -0.02 0.00 0.00 41.12 36.48 1h6k n ASP 160 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1h6k s VAL 161 N -3.34 1.63 0.64 2.53 -7.23 -1.26 -5.12 120.40 108.26 1h6k s VAL 161 Ca 0.30 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 1h6k s VAL 161 Cb -0.13 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1h6k s VAL 161 CO 0.72 -0.22 1.29 -2.65 -0.31 0.00 0.00 175.10 173.93 1h6k n PRO 162 N 0.74 1.13 -0.11 4.82 -0.02 -1.26 -4.90 135.00 135.40 1h6k n PRO 162 Ca -0.17 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1h6k n PRO 162 Cb 0.55 -2.52 0.27 0.00 -0.02 0.00 0.00 33.50 31.78 1h6k n PRO 162 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1h6k h GLN 163 N 0.56 0.77 0.00 -0.52 4.15 -1.62 -2.38 115.11 116.07 1h6k h GLN 163 Ca -0.51 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 58.80 1h6k h GLN 163 Cb 1.34 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1h6k h GLN 163 CO 0.53 0.61 -0.06 -0.39 -1.93 0.00 0.00 178.83 177.59 1h6k h VAL 164 N 0.77 0.71 0.06 2.39 -1.51 -1.61 0.14 116.25 117.21 1h6k h VAL 164 Ca 0.19 -0.25 -0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1h6k h VAL 164 Cb 0.10 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1h6k h VAL 164 CO -0.02 0.06 -0.03 -0.09 -1.23 0.00 0.00 177.57 176.26 1h6k h ARG 165 N 0.00 -0.08 -0.73 5.19 2.43 -1.71 -2.17 114.38 117.31 1h6k h ARG 165 Ca -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1h6k h ARG 165 Cb 0.15 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1h6k h ARG 165 CO 0.01 0.41 0.34 0.00 -1.51 0.00 0.00 179.97 179.22 1h6k h ARG 166 N -0.61 1.06 -0.22 0.20 3.08 -1.38 -2.69 114.38 113.81 1h6k h ARG 166 Ca -0.01 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1h6k h ARG 166 Cb 0.52 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1h6k h ARG 166 CO 0.01 0.83 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.23 1h6k h ASP 167 N 1.02 -0.26 -0.45 7.04 3.32 -0.76 -2.30 116.42 124.03 1h6k h ASP 167 Ca 0.25 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.43 1h6k h ASP 167 Cb 0.13 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1h6k h ASP 167 CO -0.03 -0.10 0.16 -0.25 -1.72 0.00 0.00 179.24 177.30 1h6k h TRP 168 N -0.03 0.28 -0.40 4.55 7.01 -1.05 0.37 115.95 126.68 1h6k h TRP 168 Ca 0.11 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.08 1h6k h TRP 168 Cb 0.20 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1h6k h TRP 168 CO -0.25 0.10 0.00 1.88 -2.79 0.00 0.00 178.44 177.38 1h6k h TYR 169 N 0.33 0.66 -0.06 2.65 0.05 -1.41 0.11 116.97 119.30 1h6k h TYR 169 Ca 0.21 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1h6k h TYR 169 Cb 0.20 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1h6k h TYR 169 CO -0.15 0.63 -0.03 0.28 -1.05 0.00 0.00 178.16 177.84 1h6k h VAL 170 N 0.60 1.32 -0.64 -2.88 2.07 -0.73 -2.43 116.25 113.55 1h6k h VAL 170 Ca 0.12 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.71 1h6k h VAL 170 Cb 0.38 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1h6k h VAL 170 CO 0.01 0.28 0.34 0.22 0.02 0.00 0.00 177.57 178.43 1h6k h TYR 171 N -0.25 0.61 -0.09 1.57 3.20 0.15 0.19 116.97 122.35 1h6k h TYR 171 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1h6k h TYR 171 Cb 0.45 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1h6k h TYR 171 CO 0.06 0.27 -0.11 0.00 -1.64 0.00 0.00 178.16 176.74 1h6k h ALA 172 N 1.35 1.64 0.18 1.82 0.00 -0.76 0.93 119.26 124.43 1h6k h ALA 172 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h6k h ALA 172 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1h6k h ALA 172 CO -0.20 0.26 -0.09 0.35 0.00 0.00 0.00 179.25 179.57 1h6k h PHE 173 N 0.13 -0.22 -0.90 0.00 3.57 -0.68 -3.28 116.94 115.57 1h6k h PHE 173 Ca 0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1h6k h PHE 173 Cb 0.29 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1h6k h PHE 173 CO 0.00 -0.08 0.58 -0.07 -2.23 0.00 0.00 178.31 176.51 1h6k h LEU 174 N -1.05 0.94 0.00 0.59 3.38 -0.60 -1.19 115.31 117.38 1h6k h LEU 174 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h6k h LEU 174 Cb 0.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1h6k h LEU 174 CO 0.04 0.63 0.00 -1.54 0.09 0.00 0.00 178.44 177.66 1h6k n SER 175 N -4.54 0.00 0.10 -0.43 3.41 0.31 -1.77 113.62 110.70 1h6k n SER 175 Ca 0.12 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 1h6k n SER 175 Cb 0.12 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1h6k n SER 175 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1h6k n SER 176 N -1.42 0.83 -0.16 4.04 7.64 -0.45 -4.41 113.62 119.69 1h6k n SER 176 Ca 0.04 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 60.22 1h6k n SER 176 Cb 0.12 0.48 0.23 0.00 -1.01 0.00 0.00 64.21 64.03 1h6k n SER 176 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1h6k h LEU 177 N 0.00 0.79 -1.57 -3.43 3.38 -1.37 -2.21 115.31 110.90 1h6k h LEU 177 Ca 0.00 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.08 1h6k h LEU 177 Cb 0.99 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1h6k h LEU 177 CO 0.00 0.66 0.56 -0.65 0.09 0.00 0.00 178.44 179.10 1h6k h PRO 178 N 0.88 0.37 0.09 1.13 0.11 -1.77 0.70 132.00 133.52 1h6k h PRO 178 Ca 0.22 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.06 1h6k h PRO 178 Cb 0.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1h6k h PRO 178 CO -0.03 0.25 -1.25 -1.49 -0.21 0.00 0.00 178.00 175.26 1h6k h TRP 179 N 0.38 0.36 -0.00 0.65 6.55 -1.71 -3.42 115.95 118.75 1h6k h TRP 179 Ca 0.42 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 60.00 1h6k h TRP 179 Cb 1.05 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 1h6k h TRP 179 CO -0.00 1.49 -0.25 1.55 -1.05 0.00 0.00 178.44 180.18 1h6k n VAL 180 N -4.05 0.00 -0.29 1.49 3.14 -0.93 -4.74 118.33 112.95 1h6k n VAL 180 Ca -0.24 -0.38 0.07 0.00 -2.96 0.00 0.00 64.34 60.83 1h6k n VAL 180 Cb 0.84 1.05 0.22 0.00 -1.06 0.00 0.00 33.84 34.89 1h6k n VAL 180 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1h6k h GLY 181 N 1.70 1.35 0.80 7.55 0.00 0.23 -2.09 103.07 112.61 1h6k h GLY 181 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1h6k h GLY 181 CO 0.00 -0.05 -0.16 1.70 0.00 0.00 0.00 176.54 178.03 1h6k h LYS 182 N 0.60 -0.42 -0.58 4.80 3.64 -1.77 -2.38 116.57 120.45 1h6k h LYS 182 Ca 0.46 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.94 1h6k h LYS 182 Cb 0.66 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1h6k h LYS 182 CO -0.37 -0.16 0.25 1.49 -2.27 0.00 0.00 179.45 178.39 1h6k h GLU 183 N -0.65 0.45 -0.59 1.90 4.57 -1.82 -0.89 114.58 117.55 1h6k h GLU 183 Ca -0.04 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1h6k h GLU 183 Cb 0.46 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1h6k h GLU 183 CO 0.07 0.29 0.26 -0.07 -1.18 0.00 0.00 179.01 178.39 1h6k h LEU 184 N 0.46 0.80 -1.12 1.64 3.38 -1.38 -1.85 115.31 117.23 1h6k h LEU 184 Ca 0.28 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1h6k h LEU 184 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1h6k h LEU 184 CO -0.25 0.73 -0.39 0.22 0.09 0.00 0.00 178.44 178.84 1h6k h TYR 185 N 0.82 0.00 -0.02 1.13 3.20 -1.04 0.35 116.97 121.40 1h6k h TYR 185 Ca 0.20 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.90 1h6k h TYR 185 Cb 0.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1h6k h TYR 185 CO 0.00 0.39 -0.77 0.93 -1.64 0.00 0.00 178.16 177.08 1h6k h GLU 186 N 0.00 0.19 0.04 1.82 5.08 -0.79 -1.79 114.58 119.12 1h6k h GLU 186 Ca -0.00 -0.18 -0.33 0.00 -1.00 0.00 0.00 59.36 57.85 1h6k h GLU 186 Cb 0.79 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1h6k h GLU 186 CO 0.05 0.87 -1.95 1.63 -1.00 0.00 0.00 179.01 178.61 1h6k n LYS 187 N -3.73 0.68 -2.70 2.33 4.76 -0.73 -4.67 118.16 114.10 1h6k n LYS 187 Ca -0.03 0.23 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 1h6k n LYS 187 Cb 0.73 -1.71 0.04 0.00 -1.84 0.00 0.00 35.03 32.25 1h6k n LYS 187 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h6k n LYS 188 N -3.14 1.26 -0.30 1.97 4.76 0.12 -4.95 118.16 117.87 1h6k n LYS 188 Ca -0.26 -3.25 0.11 0.00 -2.87 0.00 0.00 58.31 52.04 1h6k n LYS 188 Cb 1.06 -1.27 0.28 0.00 -1.84 0.00 0.00 35.03 33.26 1h6k n LYS 188 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1h6k h ASP 189 N 2.89 0.34 -0.44 4.39 2.03 -1.41 0.82 116.42 125.03 1h6k h ASP 189 Ca -0.11 0.14 -0.07 0.00 -0.73 0.00 0.00 57.03 56.25 1h6k h ASP 189 Cb 1.20 0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.80 1h6k h ASP 189 CO 0.42 0.04 -0.01 0.00 -1.03 0.00 0.00 179.24 178.66 1h6k h ALA 190 N 1.67 0.60 -0.51 4.15 0.00 -1.92 0.12 119.26 123.36 1h6k h ALA 190 Ca 0.53 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1h6k h ALA 190 Cb 0.95 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1h6k h ALA 190 CO -0.49 0.41 -0.15 0.93 0.00 0.00 0.00 179.25 179.94 1h6k h GLU 191 N 0.64 0.99 -0.55 0.00 3.07 -1.68 -2.80 114.58 114.24 1h6k h GLU 191 Ca 0.12 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1h6k h GLU 191 Cb 0.51 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1h6k h GLU 191 CO 0.03 1.06 0.24 0.52 -1.40 0.00 0.00 179.01 179.45 1h6k h MET 192 N 0.87 0.81 -0.41 2.33 2.86 -0.62 -2.48 114.93 118.28 1h6k h MET 192 Ca 0.13 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1h6k h MET 192 Cb 0.71 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1h6k h MET 192 CO 0.05 0.69 0.27 -0.44 1.06 0.00 0.00 176.91 178.54 1h6k h ASP 193 N 0.75 0.44 -0.24 1.22 3.32 -0.82 0.54 116.42 121.62 1h6k h ASP 193 Ca 0.19 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1h6k h ASP 193 Cb 0.16 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1h6k h ASP 193 CO -0.02 0.31 -0.38 0.03 -1.72 0.00 0.00 179.24 177.47 1h6k h ARG 194 N 0.51 0.78 -0.20 3.56 3.08 -1.20 -1.19 114.38 119.73 1h6k h ARG 194 Ca 0.16 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1h6k h ARG 194 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1h6k h ARG 194 CO -0.04 1.02 0.03 0.82 -1.07 0.00 0.00 179.97 180.74 1h6k h ILE 195 N 0.64 1.23 -0.62 2.04 2.04 -0.82 -2.10 117.51 119.92 1h6k h ILE 195 Ca 0.06 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1h6k h ILE 195 Cb 0.93 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1h6k h ILE 195 CO 0.09 0.23 0.37 -0.26 0.00 0.00 0.00 178.15 178.57 1h6k h PHE 196 N 0.12 0.69 -0.47 1.37 0.04 -0.84 0.21 116.94 118.05 1h6k h PHE 196 Ca 0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1h6k h PHE 196 Cb 0.32 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1h6k h PHE 196 CO 0.02 0.38 0.29 0.00 -0.60 0.00 0.00 178.31 178.40 1h6k h ALA 197 N 1.28 0.59 -0.59 2.45 0.00 -1.15 0.25 119.26 122.10 1h6k h ALA 197 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1h6k h ALA 197 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1h6k h ALA 197 CO -0.12 0.07 0.14 -0.91 0.00 0.00 0.00 179.25 178.43 1h6k h ASN 198 N 0.63 0.85 -0.33 0.00 -0.26 -0.78 -2.01 115.58 113.67 1h6k h ASN 198 Ca 0.17 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1h6k h ASN 198 Cb -0.03 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1h6k h ASN 198 CO -0.03 0.83 0.11 0.74 -1.06 0.00 0.00 177.43 178.01 1h6k h THR 199 N 0.87 1.21 -0.72 2.81 2.02 0.38 -2.44 112.91 117.04 1h6k h THR 199 Ca 0.19 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 1h6k h THR 199 Cb 0.31 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1h6k h THR 199 CO -0.00 0.23 0.26 -0.08 0.37 0.00 0.00 175.52 176.30 1h6k h GLU 200 N 0.38 1.10 -0.43 6.66 4.81 -0.34 -0.57 114.58 126.18 1h6k h GLU 200 Ca 0.11 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1h6k h GLU 200 Cb 0.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1h6k h GLU 200 CO -0.00 0.92 0.04 0.66 -0.73 0.00 0.00 179.01 179.89 1h6k h SER 201 N 1.05 0.64 0.07 1.04 4.64 -1.26 -1.46 113.55 118.27 1h6k h SER 201 Ca 0.24 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1h6k h SER 201 Cb 0.25 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1h6k h SER 201 CO -0.01 0.69 -0.04 0.22 -0.87 0.00 0.00 176.83 176.82 1h6k h TYR 202 N 0.65 -0.09 -0.01 4.77 3.20 -0.96 -3.04 116.97 121.48 1h6k h TYR 202 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1h6k h TYR 202 Cb 0.35 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1h6k h TYR 202 CO 0.02 0.19 0.03 -0.07 -1.64 0.00 0.00 178.16 176.68 1h6k h LEU 203 N -0.37 0.00 -0.21 2.82 3.38 -0.81 -0.73 115.31 119.38 1h6k h LEU 203 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1h6k h LEU 203 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1h6k h LEU 203 CO 0.02 0.00 -0.52 0.11 0.09 0.00 0.00 178.44 178.13 1h6k h LYS 204 N 0.00 0.00 -0.15 1.13 1.57 -1.16 -3.30 116.57 114.66 1h6k h LYS 204 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1h6k h LYS 204 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1h6k h LYS 204 CO -0.00 0.52 0.00 2.89 -0.57 0.00 0.00 179.45 182.29 1h6k n ARG 205 N -3.30 2.03 -1.97 3.15 1.85 -0.30 -4.98 116.66 113.14 1h6k n ARG 205 Ca 0.01 -1.88 -0.41 0.00 -1.00 0.00 0.00 57.85 54.57 1h6k n ARG 205 Cb 0.71 -1.41 -0.01 0.00 -1.05 0.00 0.00 32.46 30.69 1h6k n ARG 205 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1h6k s ARG 206 N -1.57 4.20 0.54 2.89 0.52 -1.07 -4.99 118.95 119.46 1h6k s ARG 206 Ca 0.28 2.37 -0.17 0.00 -0.52 0.00 0.00 55.73 57.69 1h6k s ARG 206 Cb 0.18 -2.99 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 1h6k s ARG 206 CO 0.26 -0.38 1.01 -0.65 0.02 0.00 0.00 175.30 175.57 1h6k s GLN 207 N -1.98 3.72 -0.14 3.54 -0.21 -1.26 -4.98 119.66 118.35 1h6k s GLN 207 Ca 0.52 1.08 0.16 0.00 0.02 0.00 0.00 55.36 57.13 1h6k s GLN 207 Cb -0.43 -2.10 0.31 0.00 1.00 0.00 0.00 33.01 31.80 1h6k s GLN 207 CO 0.57 -0.47 1.16 1.63 -2.12 0.00 0.00 175.29 176.06 1h6k n LYS 208 N -1.67 1.22 -0.00 2.91 4.76 -1.26 -4.81 118.16 119.31 1h6k n LYS 208 Ca 0.08 -2.64 0.14 0.00 -2.87 0.00 0.00 58.31 53.01 1h6k n LYS 208 Cb 0.53 -1.40 0.58 0.00 -1.84 0.00 0.00 35.03 32.90 1h6k n LYS 208 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1h6k h THR 209 N 1.09 0.87 0.00 -0.18 2.02 -1.96 -2.20 112.91 112.54 1h6k h THR 209 Ca -0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1h6k h THR 209 Cb 1.06 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1h6k h THR 209 CO 0.00 0.04 -0.21 1.12 0.37 0.00 0.00 175.52 176.84 1h6k h HIS 210 N 0.22 0.00 -0.15 3.16 2.07 -1.86 -3.39 115.15 115.20 1h6k h HIS 210 Ca 0.22 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.78 1h6k h HIS 210 Cb 0.59 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.51 1h6k h HIS 210 CO -0.00 0.21 -0.48 0.28 -3.07 0.00 0.00 177.93 174.87 1h6k h VAL 211 N 0.00 0.07 -0.06 6.12 2.07 -1.78 -1.82 116.25 120.85 1h6k h VAL 211 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1h6k h VAL 211 Cb 0.84 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1h6k h VAL 211 CO 0.03 0.00 0.07 -0.65 0.02 0.00 0.00 177.57 177.04 1h6k h PRO 212 N -0.53 0.00 0.00 1.57 0.11 -1.80 0.67 132.00 132.02 1h6k h PRO 212 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1h6k h PRO 212 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1h6k h PRO 212 CO -0.43 0.00 -0.14 1.98 -0.21 0.00 0.00 178.00 179.20 1h6k h MET 213 N 0.00 0.00 0.00 1.05 1.85 -1.59 -3.34 114.93 112.89 1h6k h MET 213 Ca 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1h6k h MET 213 Cb 0.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.21 1h6k h MET 213 CO -0.00 0.00 -0.52 1.28 -0.40 0.00 0.00 176.91 177.27 1h6k n LEU 214 N -2.31 0.42 -4.74 3.39 4.77 0.15 -4.92 117.00 113.76 1h6k n LEU 214 Ca 0.05 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 1h6k n LEU 214 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1h6k n LEU 214 CO 0.32 0.11 0.78 -1.10 -1.33 0.00 0.00 177.39 176.16 1h6k s GLN 215 N -1.97 4.63 0.20 3.23 -0.21 -0.70 -4.53 119.66 120.31 1h6k s GLN 215 Ca 0.03 1.70 -0.03 0.00 0.02 0.00 0.00 55.36 57.09 1h6k s GLN 215 Cb 0.07 -3.27 0.15 0.00 1.00 0.00 0.00 33.01 30.97 1h6k s GLN 215 CO 0.40 0.14 1.55 0.28 -2.12 0.00 0.00 175.29 175.53 1h6k h VAL 216 N 3.59 1.31 -4.01 1.09 2.07 -1.93 -3.42 116.25 114.96 1h6k h VAL 216 Ca -0.45 -1.66 -0.38 0.00 0.82 0.00 0.00 66.70 65.03 1h6k h VAL 216 Cb 1.21 1.63 -0.25 0.00 -1.52 0.00 0.00 31.29 32.36 1h6k h VAL 216 CO 0.71 0.52 -0.77 0.26 0.02 0.00 0.00 177.57 178.31 1h6k s TRP 217 N -4.15 0.92 -0.21 1.57 0.51 -1.26 -0.22 118.94 116.10 1h6k s TRP 217 Ca -0.08 -0.31 0.22 0.00 -2.12 0.00 0.00 56.10 53.82 1h6k s TRP 217 Cb 0.12 -0.56 -0.08 0.00 -0.81 0.00 0.00 33.47 32.14 1h6k s TRP 217 CO 0.84 -0.01 0.90 0.25 -0.51 0.00 0.00 176.95 178.42 1h6k n THR 218 N 2.14 0.44 -1.78 2.01 -2.24 -1.15 -4.63 114.28 109.08 1h6k n THR 218 Ca -0.17 -0.52 -0.38 0.00 -2.27 0.00 0.00 64.05 60.71 1h6k n THR 218 Cb 0.56 -0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1h6k n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h6k s ALA 219 N -3.39 2.70 -0.06 6.98 0.00 -1.26 -4.93 121.76 121.80 1h6k s ALA 219 Ca -0.02 1.30 0.13 0.00 0.00 0.00 0.00 51.96 53.37 1h6k s ALA 219 Cb 0.11 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1h6k s ALA 219 CO 0.82 -1.43 1.01 -0.44 0.00 0.00 0.00 175.76 175.72 1h6k h ASP 220 N 1.21 0.00 -3.69 0.00 3.32 -1.92 -3.42 116.42 111.93 1h6k h ASP 220 Ca -0.51 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.87 1h6k h ASP 220 Cb 1.31 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.68 1h6k h ASP 220 CO 0.56 0.75 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.51 1h6k s LYS 221 N -2.81 1.93 0.46 3.56 1.02 -1.26 -1.83 119.74 120.81 1h6k s LYS 221 Ca -0.01 -1.11 0.25 0.00 0.02 0.00 0.00 55.97 55.13 1h6k s LYS 221 Cb 0.09 -2.19 0.60 0.00 -0.52 0.00 0.00 37.83 35.80 1h6k s LYS 221 CO 0.80 0.50 1.70 -1.00 -0.92 0.00 0.00 175.35 176.43 1h6k h PRO 222 N 3.77 0.00 -4.34 -1.68 0.13 -1.98 -3.48 132.00 124.42 1h6k h PRO 222 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1h6k h PRO 222 Cb 1.17 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.93 1h6k h PRO 222 CO 0.48 0.02 -0.81 -1.01 -0.23 0.00 0.00 178.00 176.45 1h6k s HIS 223 N -3.32 1.80 0.36 1.56 3.76 -1.21 -5.11 115.29 113.12 1h6k s HIS 223 Ca 0.05 -1.04 -0.28 0.00 -0.15 0.00 0.00 55.06 53.65 1h6k s HIS 223 Cb 0.06 -1.38 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 1h6k s HIS 223 CO 0.64 -0.60 1.32 -2.14 -0.85 0.00 0.00 174.74 173.11 1h6k s PRO 224 N 1.61 4.23 -0.59 8.40 0.02 -0.76 -4.76 135.00 143.14 1h6k s PRO 224 Ca 0.03 2.23 -0.19 0.00 0.02 0.00 0.00 61.00 63.09 1h6k s PRO 224 Cb -0.14 -2.98 0.10 0.00 0.02 0.00 0.00 34.50 31.51 1h6k s PRO 224 CO -0.09 -0.30 0.71 -0.65 -0.33 0.00 0.00 177.00 176.35 1h6k s GLN 225 N -1.94 3.04 0.16 5.54 -1.52 -1.26 -4.79 119.66 118.89 1h6k s GLN 225 Ca 0.51 -1.31 -0.18 0.00 -1.95 0.00 0.00 55.36 52.44 1h6k s GLN 225 Cb -0.40 -4.27 -0.07 0.00 -0.22 0.00 0.00 33.01 28.05 1h6k s GLN 225 CO 0.53 -1.55 0.63 -1.21 -0.25 0.00 0.00 175.29 173.43 1h6k s GLU 226 N 2.73 4.15 0.25 2.91 2.02 -1.24 -4.78 118.70 124.74 1h6k s GLU 226 Ca 0.12 0.71 -0.31 0.00 0.02 0.00 0.00 54.97 55.51 1h6k s GLU 226 Cb -0.24 -2.99 -0.13 0.00 0.10 0.00 0.00 34.13 30.87 1h6k s GLU 226 CO 0.06 0.49 1.45 -1.91 0.02 0.00 0.00 175.26 175.37 1h6k n GLU 227 N 1.00 2.18 -0.14 1.61 0.00 -1.26 -0.06 120.64 123.97 1h6k n GLU 227 Ca -0.05 0.78 0.08 0.00 0.00 0.00 0.00 57.16 57.96 1h6k n GLU 227 Cb 0.51 -2.46 0.40 0.00 0.00 0.00 0.00 31.44 29.89 1h6k n GLU 227 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.13 177.23 1h6k h TYR 228 N 4.35 0.65 0.02 4.31 -0.00 -1.36 -1.24 116.97 123.71 1h6k h TYR 228 Ca -0.45 0.02 -0.24 0.00 -0.00 0.00 0.00 58.73 58.05 1h6k h TYR 228 Cb 1.26 -0.22 0.02 0.00 -0.00 0.00 0.00 36.73 37.80 1h6k h TYR 228 CO 0.57 0.34 -0.95 -0.07 -0.00 0.00 0.00 178.16 178.05 1h6k h LEU 229 N 0.64 0.80 -0.81 0.10 3.38 -1.90 -0.91 115.31 116.62 1h6k h LEU 229 Ca 0.29 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1h6k h LEU 229 Cb 0.31 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1h6k h LEU 229 CO -0.09 1.46 0.49 0.44 0.09 0.00 0.00 178.44 180.83 1h6k h ASP 230 N 0.22 0.76 -0.33 -0.43 3.32 -1.82 0.23 116.42 118.36 1h6k h ASP 230 Ca -0.13 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 1h6k h ASP 230 Cb 1.63 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1h6k h ASP 230 CO 0.19 0.48 -0.29 0.00 -1.72 0.00 0.00 179.24 177.90 1h6k h LEU 232 N 0.56 0.92 -0.43 0.00 5.85 -0.70 -1.91 115.31 119.59 1h6k h LEU 232 Ca 0.06 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1h6k h LEU 232 Cb 0.86 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1h6k h LEU 232 CO 0.07 1.08 0.18 -0.25 -0.34 0.00 0.00 178.44 179.19 1h6k h TRP 233 N 0.79 0.33 -0.73 1.25 2.91 -0.45 -0.68 115.95 119.37 1h6k h TRP 233 Ca 0.11 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1h6k h TRP 233 Cb 0.73 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 1h6k h TRP 233 CO 0.04 0.15 0.38 0.00 -1.03 0.00 0.00 178.44 177.98 1h6k h ALA 234 N 1.25 0.94 -0.94 2.65 0.00 -1.21 -0.69 119.26 121.26 1h6k h ALA 234 Ca 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1h6k h ALA 234 Cb 0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1h6k h ALA 234 CO -0.16 0.48 0.62 1.96 0.00 0.00 0.00 179.25 182.15 1h6k h GLN 235 N 1.02 1.23 -0.38 0.00 4.20 -0.68 -1.13 115.11 119.37 1h6k h GLN 235 Ca 0.25 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1h6k h GLN 235 Cb 0.08 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1h6k h GLN 235 CO -0.04 0.81 -0.31 0.82 -0.67 0.00 0.00 178.83 179.45 1h6k h ILE 236 N 1.27 1.28 -0.38 2.54 1.08 -0.63 -0.92 117.51 121.74 1h6k h ILE 236 Ca 0.35 -1.47 -0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1h6k h ILE 236 Cb -0.14 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1h6k h ILE 236 CO -0.08 0.49 0.23 1.56 -0.69 0.00 0.00 178.15 179.66 1h6k h GLN 237 N 0.71 0.52 -0.51 2.37 1.08 -0.58 0.34 115.11 119.05 1h6k h GLN 237 Ca 0.08 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1h6k h GLN 237 Cb 0.87 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1h6k h GLN 237 CO 0.08 0.39 0.17 -0.22 -0.95 0.00 0.00 178.83 178.30 1h6k h LYS 238 N 0.50 0.75 -0.54 1.46 3.64 -1.11 0.14 116.57 121.41 1h6k h LYS 238 Ca 0.14 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1h6k h LYS 238 Cb 0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1h6k h LYS 238 CO -0.03 0.64 -0.01 1.25 -2.27 0.00 0.00 179.45 179.04 1h6k h LEU 239 N 0.74 0.90 -0.13 5.20 5.85 -0.23 -1.06 115.31 126.58 1h6k h LEU 239 Ca 0.17 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1h6k h LEU 239 Cb 0.20 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1h6k h LEU 239 CO -0.01 0.97 -0.01 0.50 -0.34 0.00 0.00 178.44 179.55 1h6k h LYS 240 N 0.86 0.24 -0.33 1.25 3.64 0.56 0.32 116.57 123.11 1h6k h LYS 240 Ca 0.16 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1h6k h LYS 240 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1h6k h LYS 240 CO 0.03 0.50 0.23 -0.22 -2.27 0.00 0.00 179.45 177.71 1h6k h LYS 241 N -0.03 0.18 -0.84 1.90 3.64 -0.62 0.69 116.57 121.49 1h6k h LYS 241 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1h6k h LYS 241 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1h6k h LYS 241 CO 0.01 0.12 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 1h6k n ASP 242 N -4.47 2.41 -2.79 4.20 9.92 -0.41 -4.86 116.55 120.55 1h6k n ASP 242 Ca 0.04 -2.28 -0.22 0.00 -0.53 0.00 0.00 54.79 51.81 1h6k n ASP 242 Cb 0.28 -0.54 0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1h6k n ASP 242 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1h6k n ARG 243 N 0.19 -3.73 -2.31 -1.24 1.74 0.23 -2.59 116.66 108.96 1h6k n ARG 243 Ca 0.09 0.96 -0.18 0.00 -0.77 0.00 0.00 57.85 57.94 1h6k n ARG 243 Cb 0.53 -5.75 -0.01 0.00 -1.02 0.00 0.00 32.46 26.21 1h6k n ARG 243 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1h6k n TRP 244 N -4.34 -0.82 -4.25 -1.55 7.02 0.11 -4.94 117.44 108.68 1h6k n TRP 244 Ca -0.17 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.96 1h6k n TRP 244 Cb 0.65 -3.54 -0.09 0.00 -2.42 0.00 0.00 31.31 25.91 1h6k n TRP 244 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1h6k s GLN 245 N -4.84 3.09 0.03 -0.99 -1.52 -1.07 -4.42 119.66 109.94 1h6k s GLN 245 Ca 0.00 -0.34 -0.02 0.00 -1.95 0.00 0.00 55.36 53.05 1h6k s GLN 245 Cb 0.00 -2.89 -0.02 0.00 -0.22 0.00 0.00 33.01 29.88 1h6k s GLN 245 CO 0.00 0.72 0.00 -1.83 -0.25 0.00 0.00 175.29 173.93 1h6k s GLU 246 N -0.95 0.45 -0.10 2.91 4.04 -1.26 -4.91 118.70 118.89 1h6k s GLU 246 Ca 0.14 -0.77 0.17 0.00 0.04 0.00 0.00 54.97 54.55 1h6k s GLU 246 Cb -0.11 0.16 0.61 0.00 0.02 0.00 0.00 34.13 34.81 1h6k s GLU 246 CO 0.03 -0.09 1.52 0.54 -1.84 0.00 0.00 175.26 175.43 1h6k n ARG 247 N 1.07 3.41 -0.03 -4.83 1.74 -1.26 -4.71 116.66 112.05 1h6k n ARG 247 Ca -0.21 -2.71 -0.06 0.00 -0.77 0.00 0.00 57.85 54.10 1h6k n ARG 247 Cb 0.57 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1h6k n ARG 247 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1h6k n HIS 248 N 0.77 0.00 -1.70 -1.55 -0.00 -1.26 -3.16 115.22 108.32 1h6k n HIS 248 Ca 0.22 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.98 1h6k n HIS 248 Cb 0.79 -0.21 -0.03 0.00 -0.12 0.00 0.00 29.99 30.42 1h6k n HIS 248 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1h6k n ILE 249 N -3.13 0.18 -2.97 3.57 5.41 -1.26 -0.92 119.36 120.23 1h6k n ILE 249 Ca -0.11 -0.03 -0.40 0.00 1.00 0.00 0.00 62.75 63.20 1h6k n ILE 249 Cb 0.59 -2.02 -0.04 0.00 -0.71 0.00 0.00 39.64 37.45 1h6k n ILE 249 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1h6k s LEU 250 N 1.93 4.29 -0.50 1.39 1.43 -1.26 -4.73 118.68 121.22 1h6k s LEU 250 Ca 0.79 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 1h6k s LEU 250 Cb -0.51 -3.17 0.15 0.00 0.03 0.00 0.00 46.19 42.69 1h6k s LEU 250 CO 0.35 -0.19 0.31 -0.13 0.23 0.00 0.00 176.35 176.92 1h6k s ARG 251 N 1.12 1.58 0.57 1.70 0.52 -1.26 -4.72 118.95 118.46 1h6k s ARG 251 Ca 0.39 -2.39 0.27 0.00 -0.52 0.00 0.00 55.73 53.48 1h6k s ARG 251 Cb -0.18 -2.57 1.52 0.00 0.52 0.00 0.00 34.95 34.25 1h6k s ARG 251 CO 0.18 -1.21 2.04 -1.35 0.02 0.00 0.00 175.30 174.98 1h6k h PRO 252 N 6.26 0.00 0.00 3.54 0.11 -1.95 -1.56 132.00 138.40 1h6k h PRO 252 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1h6k h PRO 252 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1h6k h PRO 252 CO 0.54 0.00 -0.03 0.10 -0.21 0.00 0.00 178.00 178.40 1h6k h TYR 253 N 0.00 0.00 0.00 0.65 -0.00 -1.93 -2.42 116.97 113.26 1h6k h TYR 253 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.88 1h6k h TYR 253 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.45 1h6k h TYR 253 CO 0.00 0.03 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.12 1h6k h LEU 254 N 0.00 0.00 -0.17 0.10 3.38 -1.68 -0.34 115.31 116.60 1h6k h LEU 254 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h6k h LEU 254 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h6k h LEU 254 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1h6k h ALA 255 N 1.99 1.00 -0.76 1.53 0.00 -1.65 -3.24 119.26 118.14 1h6k h ALA 255 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1h6k h ALA 255 Cb 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.65 1h6k h ALA 255 CO 0.00 0.00 0.27 1.19 0.00 0.00 0.00 179.25 180.72 1h6k n PHE 256 N -3.04 2.45 -0.29 0.00 3.01 -0.14 -4.74 117.46 114.71 1h6k n PHE 256 Ca 0.04 -2.15 0.16 0.00 1.01 0.00 0.00 57.45 56.50 1h6k n PHE 256 Cb 0.50 -0.86 0.42 0.00 -0.01 0.00 0.00 39.48 39.53 1h6k n PHE 256 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1h6k h ASP 257 N 1.44 0.59 1.40 4.37 1.82 -1.59 0.56 116.42 125.01 1h6k h ASP 257 Ca 0.46 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1h6k h ASP 257 Cb 1.75 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.72 1h6k h ASP 257 CO 0.97 0.23 -0.16 0.77 -1.61 0.00 0.00 179.24 179.44 1h6k h SER 258 N 0.59 0.00 0.05 2.28 4.64 -1.92 -3.32 113.55 115.87 1h6k h SER 258 Ca 0.51 -0.04 -0.34 0.00 -0.47 0.00 0.00 61.79 61.45 1h6k h SER 258 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1h6k h SER 258 CO -0.26 0.02 -1.89 -0.38 -0.87 0.00 0.00 176.83 173.46 1h6k n ILE 259 N -2.35 1.63 -2.84 0.95 5.41 -0.45 -4.75 119.36 116.96 1h6k n ILE 259 Ca 0.05 -0.40 -0.43 0.00 1.00 0.00 0.00 62.75 62.97 1h6k n ILE 259 Cb 0.45 -1.82 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 1h6k n ILE 259 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1h6k s LEU 260 N -7.32 4.57 0.33 1.39 1.43 0.06 -4.97 118.68 114.18 1h6k s LEU 260 Ca -0.29 -1.57 0.09 0.00 -1.03 0.00 0.00 54.13 51.33 1h6k s LEU 260 Cb 0.08 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1h6k s LEU 260 CO 0.65 -1.27 0.05 0.00 0.23 0.00 0.00 176.35 176.00 1h6k h GLU 262 N 1.74 0.00 0.00 0.00 5.08 -1.94 -1.48 114.58 117.98 1h6k h GLU 262 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1h6k h GLU 262 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1h6k h GLU 262 CO 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1h6k n ALA 263 N -2.38 1.34 1.05 3.43 0.00 -1.26 -1.39 120.51 121.30 1h6k n ALA 263 Ca -0.02 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1h6k n ALA 263 Cb 0.12 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.60 1h6k n ALA 263 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h6k n LEU 264 N -2.00 2.38 -4.73 0.00 4.77 -0.56 -4.98 117.00 111.88 1h6k n LEU 264 Ca 0.01 -0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 54.74 1h6k n LEU 264 Cb 0.11 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1h6k n LEU 264 CO 0.12 0.45 0.88 -1.10 -1.33 0.00 0.00 177.39 176.40 1h6k s GLN 265 N -1.85 2.40 0.17 3.23 -0.21 -0.49 -4.62 119.66 118.28 1h6k s GLN 265 Ca 0.34 1.99 0.11 0.00 0.02 0.00 0.00 55.36 57.82 1h6k s GLN 265 Cb 0.20 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 1h6k s GLN 265 CO 0.31 -1.69 -0.24 -1.01 -2.12 0.00 0.00 175.29 170.53 1h6k s HIS 266 N -1.56 2.22 -0.06 0.91 3.76 0.46 -4.85 115.29 116.17 1h6k s HIS 266 Ca 0.80 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 55.19 1h6k s HIS 266 Cb -0.35 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1h6k s HIS 266 CO 0.41 0.43 0.38 -0.80 -0.85 0.00 0.00 174.74 174.31 1h6k s ASN 267 N -2.47 6.68 0.27 1.40 0.01 -1.26 -0.79 114.94 118.77 1h6k s ASN 267 Ca 0.18 0.81 -0.29 0.00 -0.71 0.00 0.00 52.86 52.84 1h6k s ASN 267 Cb -0.08 -2.23 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 1h6k s ASN 267 CO 0.08 0.22 0.97 -0.76 -1.51 0.00 0.00 177.10 176.10 1h6k s LEU 268 N -0.42 4.56 0.78 0.60 1.43 -1.26 -5.02 118.68 119.35 1h6k s LEU 268 Ca 0.22 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 1h6k s LEU 268 Cb -0.15 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.43 1h6k s LEU 268 CO 0.10 0.05 1.18 -2.84 0.23 0.00 0.00 176.35 175.08 1h6k s PRO 269 N -1.42 1.85 0.48 1.29 0.02 -1.26 -4.93 135.00 131.02 1h6k s PRO 269 Ca 0.44 1.67 -0.24 0.00 0.02 0.00 0.00 61.00 62.89 1h6k s PRO 269 Cb -0.26 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1h6k s PRO 269 CO 0.32 -2.03 1.27 -2.30 -0.33 0.00 0.00 177.00 173.92 1h6k n PRO 270 N -3.18 1.77 -3.68 5.54 -0.02 -1.26 -5.02 135.00 129.15 1h6k n PRO 270 Ca 0.13 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 62.09 1h6k n PRO 270 Cb 0.51 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 1h6k n PRO 270 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1h6k s PHE 271 N -1.26 -0.21 -0.10 6.00 2.19 -1.26 -5.11 117.98 118.23 1h6k s PHE 271 Ca 0.65 0.64 0.03 0.00 0.33 0.00 0.00 56.93 58.59 1h6k s PHE 271 Cb -0.47 -0.20 0.00 0.00 -1.31 0.00 0.00 43.02 41.05 1h6k s PHE 271 CO 0.54 -0.27 -0.21 0.99 1.83 0.00 0.00 175.22 178.11 1h6k s THR 272 N 2.12 1.87 -0.13 0.12 2.01 -1.26 -4.91 115.64 115.46 1h6k s THR 272 Ca 0.01 -0.90 -0.37 0.00 0.31 0.00 0.00 61.69 60.74 1h6k s THR 272 Cb -0.12 -1.63 -0.14 0.00 0.01 0.00 0.00 72.50 70.62 1h6k s THR 272 CO -0.06 0.52 1.77 -0.81 -0.69 0.00 0.00 174.62 175.35 1h6k n PRO 273 N 3.65 1.73 -1.59 4.92 -0.04 -1.26 -4.87 135.00 137.53 1h6k n PRO 273 Ca -0.20 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.46 1h6k n PRO 273 Cb 0.53 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1h6k n PRO 273 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1h6k n PRO 274 N 5.64 1.36 -1.65 0.54 -0.02 -1.26 -4.90 135.00 134.71 1h6k n PRO 274 Ca 0.23 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1h6k n PRO 274 Cb 0.23 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1h6k n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h6k n PRO 275 N 0.55 0.99 -2.04 0.52 -0.02 -1.26 -4.95 135.00 128.79 1h6k n PRO 275 Ca 0.09 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1h6k n PRO 275 Cb 0.35 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 1h6k n PRO 275 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1h6k s HIS 276 N -1.48 2.99 0.30 6.00 5.65 -1.26 -5.03 115.29 122.47 1h6k s HIS 276 Ca 0.81 1.21 0.03 0.00 0.25 0.00 0.00 55.06 57.36 1h6k s HIS 276 Cb -0.37 -3.77 -0.04 0.00 -1.18 0.00 0.00 32.58 27.21 1h6k s HIS 276 CO 0.42 -2.33 0.12 0.95 -0.65 0.00 0.00 174.74 173.25 1h6k s THR 277 N -0.59 0.52 0.22 0.89 -4.23 -1.26 -5.03 115.64 106.16 1h6k s THR 277 Ca 0.54 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1h6k s THR 277 Cb -0.41 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.04 1h6k s THR 277 CO 0.49 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 176.11 1h6k h GLU 278 N 2.22 1.13 -0.00 3.99 5.08 -2.05 -1.63 114.58 123.32 1h6k h GLU 278 Ca -0.36 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1h6k h GLU 278 Cb 1.25 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1h6k h GLU 278 CO 0.57 0.80 0.00 -0.25 -1.00 0.00 0.00 179.01 179.13 1h6k n ASP 279 N -4.44 0.08 -4.69 1.42 9.92 -1.26 -4.84 116.55 112.74 1h6k n ASP 279 Ca 0.08 -1.19 -0.42 0.00 -0.53 0.00 0.00 54.79 52.73 1h6k n ASP 279 Cb 0.06 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1h6k n ASP 279 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1h6k s SER 280 N -1.83 6.90 -0.20 -2.24 0.01 -0.61 -5.00 113.70 110.73 1h6k s SER 280 Ca 0.40 2.09 0.01 0.00 1.31 0.00 0.00 55.95 59.75 1h6k s SER 280 Cb 0.18 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.89 1h6k s SER 280 CO 0.31 -0.67 -0.12 -0.69 0.41 0.00 0.00 173.24 172.48 1h6k s VAL 281 N 2.08 1.71 0.15 3.43 1.01 -1.26 -4.93 120.40 122.59 1h6k s VAL 281 Ca 0.62 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1h6k s VAL 281 Cb -0.31 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1h6k s VAL 281 CO 0.27 0.22 0.20 -0.31 0.00 0.00 0.00 175.10 175.47 1h6k s TYR 282 N 1.38 3.30 0.57 5.22 1.51 -1.26 -4.84 117.35 123.22 1h6k s TYR 282 Ca -0.01 0.05 -0.21 0.00 -1.01 0.00 0.00 57.07 55.90 1h6k s TYR 282 Cb -0.16 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1h6k s TYR 282 CO -0.09 0.52 1.32 -2.14 -1.11 0.00 0.00 175.55 174.06 1h6k s PRO 283 N -3.10 3.04 0.69 -1.71 0.02 -1.26 -4.99 135.00 127.68 1h6k s PRO 283 Ca 0.32 2.14 -0.14 0.00 0.02 0.00 0.00 61.00 63.34 1h6k s PRO 283 Cb -0.11 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.27 1h6k s PRO 283 CO 0.26 -1.24 1.13 -1.64 -0.33 0.00 0.00 177.00 175.17 1h6k s MET 284 N -3.02 2.58 0.99 5.54 -1.94 -1.26 -4.88 119.30 117.30 1h6k s MET 284 Ca 0.74 1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 56.05 1h6k s MET 284 Cb -0.38 -1.92 0.18 0.00 2.01 0.00 0.00 34.83 34.72 1h6k s MET 284 CO 0.44 -1.43 1.08 -1.25 -0.01 0.00 0.00 175.02 173.85 1h6k s PRO 285 N -4.13 0.50 0.16 2.03 0.04 -1.26 -5.06 135.00 127.27 1h6k s PRO 285 Ca 0.68 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1h6k s PRO 285 Cb -0.22 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1h6k s PRO 285 CO 0.44 -2.79 -0.03 1.03 0.04 0.00 0.00 177.00 175.68 1h6k s ARG 286 N -4.75 1.08 -0.07 4.56 0.52 -1.26 -4.99 118.95 114.03 1h6k s ARG 286 Ca 0.66 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1h6k s ARG 286 Cb -0.21 -0.37 -0.00 0.00 0.52 0.00 0.00 34.95 34.89 1h6k s ARG 286 CO 0.59 -0.06 -0.22 0.08 0.02 0.00 0.00 175.30 175.71 1h6k s VAL 287 N -3.55 1.82 -0.04 3.52 1.01 -1.26 -0.91 120.40 120.99 1h6k s VAL 287 Ca 0.21 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1h6k s VAL 287 Cb 0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1h6k s VAL 287 CO 0.02 0.51 1.28 -0.63 0.00 0.00 0.00 175.10 176.28 1h6k s ILE 288 N 0.17 4.05 0.05 2.22 -1.09 0.92 -4.88 121.20 122.64 1h6k s ILE 288 Ca -0.11 1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 1h6k s ILE 288 Cb -0.15 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1h6k s ILE 288 CO 0.05 -0.01 1.02 0.12 -1.23 0.00 0.00 174.94 174.90 1h6k s PHE 289 N 2.38 3.65 -0.12 3.97 5.36 -1.26 -3.74 117.98 128.22 1h6k s PHE 289 Ca 0.59 1.65 -0.05 0.00 -0.96 0.00 0.00 56.93 58.16 1h6k s PHE 289 Cb -0.27 -3.17 0.06 0.00 -0.34 0.00 0.00 43.02 39.30 1h6k s PHE 289 CO 0.23 -0.22 0.25 0.50 -1.46 0.00 0.00 175.22 174.52 1h6k s ARG 290 N 0.65 0.14 0.00 10.12 6.06 -1.26 -4.99 118.95 129.67 1h6k s ARG 290 Ca 0.52 0.71 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1h6k s ARG 290 Cb -0.24 -0.07 0.00 0.00 0.06 0.00 0.00 34.95 34.71 1h6k s ARG 290 CO 0.29 -0.28 0.00 0.00 -2.50 0.00 0.00 175.30 172.82 1h6k n MET 291 N 5.25 3.51 -4.22 5.12 0.00 -1.26 -4.77 117.12 120.76 1h6k n MET 291 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.36 1h6k n MET 291 Cb 0.50 -0.68 -0.08 0.00 0.00 0.00 0.00 33.22 32.97 1h6k n MET 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1h6k s PHE 292 N -0.80 2.83 0.27 3.17 0.08 -1.26 -5.00 117.98 117.27 1h6k s PHE 292 Ca 0.00 -0.15 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 1h6k s PHE 292 Cb 0.00 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1h6k s PHE 292 CO 0.00 0.53 0.42 -0.40 -0.10 0.00 0.00 175.22 175.68 1h6k n ASP 293 N -0.26 -1.20 -0.31 1.36 3.85 -1.26 -4.94 116.55 113.79 1h6k n ASP 293 Ca -0.09 -2.39 0.06 0.00 -0.71 0.00 0.00 54.79 51.66 1h6k n ASP 293 Cb 0.56 2.16 0.26 0.00 -1.35 0.00 0.00 41.12 42.74 1h6k n ASP 293 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.20 176.29 1h6k h TYR 294 N 1.77 1.04 0.00 2.11 -0.00 -1.91 -1.99 116.97 117.99 1h6k h TYR 294 Ca -0.22 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.54 1h6k h TYR 294 Cb 0.91 -0.34 0.00 0.00 -0.00 0.00 0.00 36.73 37.31 1h6k h TYR 294 CO 0.00 0.50 0.00 0.25 -0.00 0.00 0.00 178.16 178.91 1h6k n THR 295 N -4.53 1.60 0.82 -0.90 -2.24 -1.26 -1.93 114.28 105.84 1h6k n THR 295 Ca 0.15 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1h6k n THR 295 Cb 0.27 -1.42 0.18 0.00 -2.10 0.00 0.00 70.33 67.26 1h6k n THR 295 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1h6k n ASP 296 N -1.65 0.59 -3.16 3.42 8.00 -0.75 -4.28 116.55 118.72 1h6k n ASP 296 Ca 0.01 -0.17 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 1h6k n ASP 296 Cb 0.05 0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1h6k n ASP 296 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1h6k n ASP 297 N -1.74 1.48 0.02 -2.24 2.03 -0.81 -4.99 116.55 110.30 1h6k n ASP 297 Ca 0.04 -3.10 0.13 0.00 0.52 0.00 0.00 54.79 52.39 1h6k n ASP 297 Cb 0.38 -0.61 0.59 0.00 -0.72 0.00 0.00 41.12 40.75 1h6k n ASP 297 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1h6k h PRO 298 N 3.20 0.20 -0.39 -0.67 0.13 -1.74 -1.91 132.00 130.81 1h6k h PRO 298 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1h6k h PRO 298 Cb 0.86 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1h6k h PRO 298 CO 0.56 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 1h6k n GLU 299 N -4.45 3.62 -4.34 0.86 4.71 -1.26 -4.97 120.64 114.81 1h6k n GLU 299 Ca 0.07 -2.91 -0.28 0.00 -0.01 0.00 0.00 57.16 54.03 1h6k n GLU 299 Cb 0.38 -1.96 -0.07 0.00 -1.01 0.00 0.00 31.44 28.78 1h6k n GLU 299 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1h6k s GLY 300 N -1.45 2.55 0.19 0.62 0.00 -0.72 -5.07 107.32 103.44 1h6k s GLY 300 Ca 0.46 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 1h6k s GLY 300 CO 0.13 -2.02 0.97 -1.05 0.00 0.00 0.00 173.10 171.12 1h6k n PRO 301 N -1.28 0.84 -1.96 2.90 -0.02 -1.26 -4.82 135.00 129.39 1h6k n PRO 301 Ca -0.06 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1h6k n PRO 301 Cb 0.66 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1h6k n PRO 301 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h6k s VAL 302 N -0.57 2.39 -0.19 -1.45 1.01 -1.26 -4.03 120.40 116.30 1h6k s VAL 302 Ca 0.69 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.82 1h6k s VAL 302 Cb -0.87 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1h6k s VAL 302 CO 0.55 0.09 0.78 -0.32 0.00 0.00 0.00 175.10 176.20 1h6k s MET 303 N -1.98 4.26 0.21 2.72 1.75 -1.26 -4.59 119.30 120.41 1h6k s MET 303 Ca 0.52 0.90 -0.31 0.00 -1.25 0.00 0.00 55.69 55.54 1h6k s MET 303 Cb -0.43 -3.59 -0.15 0.00 2.84 0.00 0.00 34.83 33.51 1h6k s MET 303 CO 0.57 -0.33 1.10 -2.30 -0.65 0.00 0.00 175.02 173.40 1h6k n PRO 304 N 5.30 1.21 -0.78 4.11 -0.02 -1.26 -4.49 135.00 139.07 1h6k n PRO 304 Ca 0.03 0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 61.66 1h6k n PRO 304 Cb 0.49 -1.87 0.23 0.00 -0.02 0.00 0.00 33.50 32.33 1h6k n PRO 304 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1h6k s GLY 305 N -0.22 1.54 0.48 -1.23 0.00 -1.26 -4.74 107.32 101.89 1h6k s GLY 305 Ca 0.68 -0.29 0.26 0.00 0.00 0.00 0.00 44.72 45.36 1h6k s GLY 305 CO 0.55 0.41 1.93 1.76 0.00 0.00 0.00 173.10 177.76 1h6k h SER 306 N -2.43 0.00 -0.40 1.64 0.02 -1.92 -2.90 113.55 107.56 1h6k h SER 306 Ca -0.59 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.22 1h6k h SER 306 Cb 1.34 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.79 1h6k h SER 306 CO 0.53 0.18 0.04 1.41 -1.14 0.00 0.00 176.83 177.85 1h6k n HIS 307 N -3.48 1.32 -3.99 3.45 8.25 -1.26 -4.89 115.22 114.61 1h6k n HIS 307 Ca -0.01 -1.31 -0.30 0.00 -0.26 0.00 0.00 57.72 55.84 1h6k n HIS 307 Cb 0.35 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 1h6k n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1h6k s SER 308 N -2.08 5.91 0.28 0.41 1.04 -1.10 -3.95 113.70 114.22 1h6k s SER 308 Ca 0.46 0.11 0.26 0.00 0.48 0.00 0.00 55.95 57.25 1h6k s SER 308 Cb 0.39 -1.70 0.91 0.00 0.10 0.00 0.00 66.02 65.72 1h6k s SER 308 CO 0.05 0.16 1.76 -0.37 0.98 0.00 0.00 173.24 175.82 1h6k h VAL 309 N 2.30 0.00 -0.38 5.02 -1.51 -1.89 -2.85 116.25 116.93 1h6k h VAL 309 Ca -0.46 -0.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.56 1h6k h VAL 309 Cb 1.17 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1h6k h VAL 309 CO 0.70 0.00 0.09 -0.33 -1.23 0.00 0.00 177.57 176.81 1h6k h GLU 310 N 0.00 0.61 -0.53 5.19 3.07 -1.94 -0.46 114.58 120.52 1h6k h GLU 310 Ca 0.00 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1h6k h GLU 310 Cb 0.57 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1h6k h GLU 310 CO 0.00 0.64 0.28 -0.09 -1.40 0.00 0.00 179.01 178.45 1h6k h ARG 311 N 0.47 0.75 0.09 2.33 9.65 -1.71 -0.68 114.38 125.29 1h6k h ARG 311 Ca 0.12 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1h6k h ARG 311 Cb 0.31 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1h6k h ARG 311 CO 0.00 0.59 -0.06 0.35 2.80 0.00 0.00 179.97 183.65 1h6k h PHE 312 N 0.71 -0.14 -0.37 2.20 3.57 -1.46 -2.19 116.94 119.26 1h6k h PHE 312 Ca 0.19 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1h6k h PHE 312 Cb 0.06 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1h6k h PHE 312 CO -0.01 -0.09 0.06 0.28 -2.23 0.00 0.00 178.31 176.32 1h6k h VAL 313 N -0.14 1.24 -0.25 1.41 2.07 -0.89 0.87 116.25 120.56 1h6k h VAL 313 Ca -0.01 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1h6k h VAL 313 Cb 0.12 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1h6k h VAL 313 CO 0.01 0.28 0.04 0.40 0.02 0.00 0.00 177.57 178.32 1h6k h ILE 314 N 0.45 0.87 -0.50 4.57 2.04 -1.14 0.11 117.51 123.91 1h6k h ILE 314 Ca 0.11 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 1h6k h ILE 314 Cb 0.35 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1h6k h ILE 314 CO 0.01 0.02 -0.11 -0.33 0.00 0.00 0.00 178.15 177.74 1h6k h GLU 315 N 0.13 0.96 -0.18 2.37 5.08 -1.18 -1.32 114.58 120.44 1h6k h GLU 315 Ca 0.12 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1h6k h GLU 315 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1h6k h GLU 315 CO -0.16 1.03 0.09 1.49 -1.00 0.00 0.00 179.01 180.46 1h6k h GLU 316 N 0.82 0.20 -0.52 2.33 4.57 -0.52 -0.57 114.58 120.88 1h6k h GLU 316 Ca 0.13 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1h6k h GLU 316 Cb 0.66 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1h6k h GLU 316 CO 0.05 0.13 0.24 -0.91 -1.18 0.00 0.00 179.01 177.34 1h6k h ASN 317 N 0.20 0.68 -0.68 1.04 2.35 -0.57 -1.51 115.58 117.10 1h6k h ASN 317 Ca 0.07 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 1h6k h ASN 317 Cb 0.01 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1h6k h ASN 317 CO -0.04 0.63 0.11 -0.07 -1.65 0.00 0.00 177.43 176.40 1h6k h LEU 318 N 0.69 1.07 -0.94 1.61 3.38 -1.05 0.15 115.31 120.23 1h6k h LEU 318 Ca 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 318 Cb 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1h6k h LEU 318 CO -0.02 1.06 0.55 0.45 0.09 0.00 0.00 178.44 180.57 1h6k h HIS 319 N 1.04 1.25 -0.25 1.13 3.86 -0.94 -0.87 115.15 120.37 1h6k h HIS 319 Ca 0.21 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.26 1h6k h HIS 319 Cb 0.44 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1h6k h HIS 319 CO 0.03 0.84 -0.44 0.00 0.86 0.00 0.00 177.93 179.22 1h6k h ILE 321 N 0.51 1.16 -0.53 0.00 2.04 -0.43 0.08 117.51 120.34 1h6k h ILE 321 Ca 0.04 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1h6k h ILE 321 Cb 0.97 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1h6k h ILE 321 CO 0.09 0.17 0.31 0.40 0.00 0.00 0.00 178.15 179.12 1h6k h ILE 322 N 0.33 1.03 -0.86 -0.67 2.04 -0.86 -1.37 117.51 117.15 1h6k h ILE 322 Ca 0.10 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1h6k h ILE 322 Cb 0.15 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 1h6k h ILE 322 CO -0.01 0.11 0.52 0.50 0.00 0.00 0.00 178.15 179.27 1h6k h LYS 323 N 0.61 0.88 -0.04 2.37 3.64 -0.67 0.21 116.57 123.57 1h6k h LYS 323 Ca 0.22 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1h6k h LYS 323 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1h6k h LYS 323 CO -0.11 0.58 -0.38 0.77 -2.27 0.00 0.00 179.45 178.04 1h6k h SER 324 N 0.91 0.09 0.00 4.20 0.02 -0.20 -3.36 113.55 115.21 1h6k h SER 324 Ca 0.39 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1h6k h SER 324 Cb 0.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1h6k h SER 324 CO -0.21 0.46 -0.17 1.41 -1.14 0.00 0.00 176.83 177.18 1h6k n HIS 325 N -4.07 0.00 0.12 3.45 8.25 -0.59 -4.85 115.22 117.53 1h6k n HIS 325 Ca -0.02 -0.50 0.17 0.00 -0.26 0.00 0.00 57.72 57.11 1h6k n HIS 325 Cb 0.43 -0.09 0.72 0.00 1.12 0.00 0.00 29.99 32.17 1h6k n HIS 325 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1h6k h TRP 326 N 0.00 0.00 -0.03 4.41 5.08 -0.78 -2.04 115.95 122.59 1h6k h TRP 326 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 1h6k h TRP 326 Cb 1.08 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 1h6k h TRP 326 CO 0.03 0.00 -0.50 0.87 -1.28 0.00 0.00 178.44 177.57 1h6k h LYS 327 N 0.00 0.09 -4.38 0.12 1.57 -1.88 -3.39 116.57 108.69 1h6k h LYS 327 Ca 0.15 -0.05 -0.71 0.00 -1.87 0.00 0.00 60.65 58.17 1h6k h LYS 327 Cb 0.64 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.63 1h6k h LYS 327 CO -0.00 0.57 -0.48 -1.21 -0.57 0.00 0.00 179.45 177.75 1h6k s GLU 328 N -3.92 2.20 0.48 3.15 0.41 -0.77 -4.97 118.70 115.29 1h6k s GLU 328 Ca -0.03 -1.83 0.16 0.00 -0.41 0.00 0.00 54.97 52.87 1h6k s GLU 328 Cb 0.13 -3.72 1.15 0.00 -1.78 0.00 0.00 34.13 29.92 1h6k s GLU 328 CO 0.76 -1.12 2.06 0.07 -0.49 0.00 0.00 175.26 176.53 1h6k h ARG 329 N 8.17 0.00 -0.12 1.61 0.11 -1.77 0.48 114.38 122.86 1h6k h ARG 329 Ca -0.15 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.86 1h6k h ARG 329 Cb 1.05 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 1h6k h ARG 329 CO 0.76 0.11 -0.19 0.87 0.10 0.00 0.00 179.97 181.62 1h6k h LYS 330 N 0.00 0.34 -0.54 0.08 6.56 -1.93 -1.70 116.57 119.37 1h6k h LYS 330 Ca -0.00 -0.21 -0.06 0.00 -1.06 0.00 0.00 60.65 59.32 1h6k h LYS 330 Cb 0.21 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 1h6k h LYS 330 CO 0.01 0.79 0.11 1.15 -2.06 0.00 0.00 179.45 179.45 1h6k h THR 331 N -0.08 1.25 -0.48 -0.16 2.02 -1.82 -2.17 112.91 111.46 1h6k h THR 331 Ca 0.01 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1h6k h THR 331 Cb 0.76 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1h6k h THR 331 CO 0.04 0.33 0.20 0.00 0.37 0.00 0.00 175.52 176.47 1h6k h ALA 333 N 1.05 0.28 -0.82 0.00 0.00 -1.25 -1.98 119.26 116.53 1h6k h ALA 333 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h6k h ALA 333 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1h6k h ALA 333 CO -0.01 -0.20 0.50 0.00 0.00 0.00 0.00 179.25 179.54 1h6k h ALA 334 N 1.02 1.05 -0.47 0.00 0.00 -1.17 -1.24 119.26 118.45 1h6k h ALA 334 Ca 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1h6k h ALA 334 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1h6k h ALA 334 CO -0.01 0.51 0.02 1.96 0.00 0.00 0.00 179.25 181.72 1h6k h GLN 335 N 1.13 0.77 -0.09 0.00 1.08 -0.96 -1.43 115.11 115.62 1h6k h GLN 335 Ca 0.30 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1h6k h GLN 335 Cb -0.05 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1h6k h GLN 335 CO -0.06 0.77 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.42 1h6k h LEU 336 N 0.73 0.25 -1.24 1.46 3.38 -0.94 -3.04 115.31 115.90 1h6k h LEU 336 Ca 0.15 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1h6k h LEU 336 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1h6k h LEU 336 CO 0.02 0.70 0.07 0.58 0.09 0.00 0.00 178.44 179.90 1h6k h VAL 337 N -0.20 1.19 -0.30 1.22 2.07 -1.13 -2.39 116.25 116.72 1h6k h VAL 337 Ca 0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1h6k h VAL 337 Cb 0.64 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1h6k h VAL 337 CO 0.03 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 176.33 1h6k n SER 338 N -4.31 2.85 -4.65 0.57 3.41 -0.55 -4.92 113.62 106.03 1h6k n SER 338 Ca 0.02 -2.31 -0.42 0.00 -0.26 0.00 0.00 58.87 55.90 1h6k n SER 338 Cb 0.21 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1h6k n SER 338 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1h6k s TYR 339 N -1.75 1.45 0.48 7.33 5.04 -0.90 -4.98 117.35 124.03 1h6k s TYR 339 Ca 0.25 -0.09 -0.10 0.00 -2.44 0.00 0.00 57.07 54.69 1h6k s TYR 339 Cb 0.18 -4.11 -0.05 0.00 0.35 0.00 0.00 41.96 38.32 1h6k s TYR 339 CO 0.10 -4.80 0.85 -1.25 -1.34 0.00 0.00 175.55 169.12 1h6k s PRO 340 N 4.73 3.70 0.16 4.97 0.04 -1.26 -5.10 135.00 142.25 1h6k s PRO 340 Ca 0.86 0.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 1h6k s PRO 340 Cb -0.38 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1h6k s PRO 340 CO 0.37 -0.22 0.44 0.20 0.04 0.00 0.00 177.00 177.84 1h6k s GLY 341 N -3.62 -0.07 0.05 0.56 0.00 -1.26 -4.96 107.32 98.02 1h6k s GLY 341 Ca 0.52 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 1h6k s GLY 341 CO 0.40 -0.37 1.53 1.70 0.00 0.00 0.00 173.10 176.35 1h6k h LYS 342 N 2.31 0.08 -5.82 2.90 3.64 -1.22 -3.45 116.57 115.01 1h6k h LYS 342 Ca -0.31 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.45 1h6k h LYS 342 Cb 1.25 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 1h6k h LYS 342 CO 0.43 0.29 -0.57 -0.80 -2.27 0.00 0.00 179.45 176.52 1h6k s ASN 343 N -5.50 4.12 0.43 4.20 0.01 -1.19 -5.03 114.94 111.99 1h6k s ASN 343 Ca -0.14 -1.19 -0.24 0.00 -0.71 0.00 0.00 52.86 50.57 1h6k s ASN 343 Cb 0.05 -0.45 -0.08 0.00 0.41 0.00 0.00 41.25 41.18 1h6k s ASN 343 CO 0.68 -0.44 1.22 -0.54 -1.51 0.00 0.00 177.10 176.51 1h6k s LYS 344 N -3.78 3.84 0.05 -0.60 1.02 -1.26 -5.01 119.74 114.00 1h6k s LYS 344 Ca 0.37 1.95 -0.08 0.00 0.02 0.00 0.00 55.97 58.23 1h6k s LYS 344 Cb 0.06 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1h6k s LYS 344 CO 0.20 -0.53 0.16 0.96 -0.92 0.00 0.00 175.35 175.22 1h6k s ILE 345 N -1.40 0.12 -1.27 2.17 -4.36 -1.26 -4.75 121.20 110.45 1h6k s ILE 345 Ca 0.61 -1.00 -0.17 0.00 -0.26 0.00 0.00 60.65 59.82 1h6k s ILE 345 Cb -0.33 -0.98 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 1h6k s ILE 345 CO 0.41 -0.55 2.07 -0.81 0.24 0.00 0.00 174.94 176.29 1h6k n PRO 346 N 0.60 2.54 -0.25 0.37 -0.04 -1.26 -4.75 135.00 132.22 1h6k n PRO 346 Ca -0.18 -2.54 0.04 0.00 -0.04 0.00 0.00 63.50 60.78 1h6k n PRO 346 Cb 0.59 -3.27 0.18 0.00 -0.04 0.00 0.00 33.50 30.96 1h6k n PRO 346 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1h6k h LEU 347 N 11.70 0.27 -1.09 1.53 5.85 -1.96 -0.70 115.31 130.91 1h6k h LEU 347 Ca 0.50 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.41 1h6k h LEU 347 Cb 0.70 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1h6k h LEU 347 CO 1.80 0.11 0.61 0.78 -0.34 0.00 0.00 178.44 181.40 1h6k h ASN 348 N 0.44 0.93 -0.42 1.25 2.35 -1.98 0.17 115.58 118.32 1h6k h ASN 348 Ca 0.40 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 56.05 1h6k h ASN 348 Cb 0.59 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1h6k h ASN 348 CO -0.39 0.56 -0.22 1.88 -1.65 0.00 0.00 177.43 177.61 1h6k h TYR 349 N 1.03 1.03 -0.27 1.19 -1.99 -1.54 -2.04 116.97 114.39 1h6k h TYR 349 Ca 0.43 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 1h6k h TYR 349 Cb 0.31 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1h6k h TYR 349 CO -0.00 1.05 0.05 0.45 -0.00 0.00 0.00 178.16 179.71 1h6k h HIS 350 N 0.72 0.47 -0.10 4.88 3.86 -0.41 -0.46 115.15 124.10 1h6k h HIS 350 Ca 0.09 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1h6k h HIS 350 Cb 0.79 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1h6k h HIS 350 CO 0.06 0.54 -0.09 0.82 0.86 0.00 0.00 177.93 180.11 1h6k h ILE 351 N 0.27 0.73 -0.63 2.45 2.04 -0.79 0.11 117.51 121.69 1h6k h ILE 351 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1h6k h ILE 351 Cb 0.31 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1h6k h ILE 351 CO 0.00 0.00 0.19 0.58 0.00 0.00 0.00 178.15 178.93 1h6k h VAL 352 N -0.11 1.24 -0.26 1.67 2.07 -1.24 -1.33 116.25 118.29 1h6k h VAL 352 Ca 0.07 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 1h6k h VAL 352 Cb 0.21 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1h6k h VAL 352 CO -0.17 0.31 -0.43 -0.08 0.02 0.00 0.00 177.57 177.23 1h6k h GLU 353 N 0.92 0.63 -0.26 1.57 4.81 -0.61 -2.30 114.58 119.34 1h6k h GLU 353 Ca 0.21 -0.34 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1h6k h GLU 353 Cb 0.27 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1h6k h GLU 353 CO -0.01 0.94 -0.39 0.28 -0.73 0.00 0.00 179.01 179.10 1h6k h VAL 354 N 0.51 1.30 -0.04 0.32 2.07 -0.45 -0.49 116.25 119.47 1h6k h VAL 354 Ca 0.04 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 1h6k h VAL 354 Cb 0.96 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1h6k h VAL 354 CO 0.09 0.49 0.01 0.40 0.02 0.00 0.00 177.57 178.58 1h6k h ILE 355 N 0.50 1.15 0.00 4.57 2.04 -1.09 -1.46 117.51 123.22 1h6k h ILE 355 Ca 0.04 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1h6k h ILE 355 Cb 0.90 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1h6k h ILE 355 CO 0.08 0.12 -0.41 -0.26 0.00 0.00 0.00 178.15 177.68 1h6k h PHE 356 N -0.12 0.00 -0.42 1.37 0.04 -1.34 -0.75 116.94 115.73 1h6k h PHE 356 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1h6k h PHE 356 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1h6k h PHE 356 CO -0.01 0.41 0.28 0.00 -0.60 0.00 0.00 178.31 178.38 1h6k h ALA 357 N 1.59 0.53 0.08 2.45 0.00 -0.76 0.11 119.26 123.26 1h6k h ALA 357 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h6k h ALA 357 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h6k h ALA 357 CO 0.05 -0.02 -0.04 0.93 0.00 0.00 0.00 179.25 180.18 1h6k h GLU 358 N 0.56 -0.11 -1.01 0.00 5.08 -1.00 -0.60 114.58 117.51 1h6k h GLU 358 Ca 0.15 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1h6k h GLU 358 Cb -0.06 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1h6k h GLU 358 CO -0.03 0.20 0.65 1.25 -1.00 0.00 0.00 179.01 180.07 1h6k h LEU 359 N -0.42 1.03 -1.48 1.33 5.85 -1.00 -1.78 115.31 118.85 1h6k h LEU 359 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1h6k h LEU 359 Cb 0.35 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1h6k h LEU 359 CO 0.02 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.25 1h6k n PHE 360 N -4.51 0.09 -1.69 1.25 3.72 0.37 -4.62 117.46 112.07 1h6k n PHE 360 Ca 0.16 -0.04 -0.44 0.00 -0.05 0.00 0.00 57.45 57.08 1h6k n PHE 360 Cb 0.20 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 1h6k n PHE 360 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1h6k n GLN 361 N 0.75 2.23 -4.70 -1.08 7.27 -0.24 -4.85 117.38 116.77 1h6k n GLN 361 Ca 0.17 0.80 -0.34 0.00 0.07 0.00 0.00 57.00 57.70 1h6k n GLN 361 Cb 0.47 -2.49 -0.12 0.00 2.41 0.00 0.00 30.24 30.50 1h6k n GLN 361 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h6k s LEU 362 N -0.02 3.03 0.21 1.69 1.43 -1.26 -2.51 118.68 121.25 1h6k s LEU 362 Ca 0.67 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 1h6k s LEU 362 Cb -0.61 -1.65 0.16 0.00 0.03 0.00 0.00 46.19 44.13 1h6k s LEU 362 CO 0.49 0.35 1.62 -0.65 0.23 0.00 0.00 176.35 178.39 1h6k h PRO 363 N 5.32 0.82 -3.65 1.29 0.11 -1.91 -3.47 132.00 130.51 1h6k h PRO 363 Ca -0.47 -0.33 -0.12 0.00 0.11 0.00 0.00 66.00 65.19 1h6k h PRO 363 Cb 1.17 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1h6k h PRO 363 CO 0.52 0.95 -0.44 0.00 -0.21 0.00 0.00 178.00 178.82 1h6k s ALA 364 N -4.63 -0.25 0.78 -0.75 0.00 -1.04 -4.73 121.76 111.12 1h6k s ALA 364 Ca -0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.35 1h6k s ALA 364 Cb 0.13 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.59 1h6k s ALA 364 CO 0.84 -0.35 1.16 -2.14 0.00 0.00 0.00 175.76 175.28 1h6k s PRO 365 N -2.60 1.93 0.44 0.00 0.02 -1.24 -4.74 135.00 128.82 1h6k s PRO 365 Ca -0.05 1.58 0.14 0.00 0.02 0.00 0.00 61.00 62.69 1h6k s PRO 365 Cb -0.01 -1.83 0.99 0.00 0.02 0.00 0.00 34.50 33.67 1h6k s PRO 365 CO -0.04 -1.96 1.99 -1.35 -0.33 0.00 0.00 177.00 175.31 1h6k h PRO 366 N -0.81 0.01 -4.96 5.54 0.11 -1.94 -3.45 132.00 126.50 1h6k h PRO 366 Ca -0.46 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 1h6k h PRO 366 Cb 1.27 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1h6k h PRO 366 CO 0.48 0.19 -0.65 -1.01 -0.21 0.00 0.00 178.00 176.80 1h6k s HIS 367 N -4.64 1.44 0.30 0.65 3.76 -1.26 -5.12 115.29 110.41 1h6k s HIS 367 Ca -0.04 -0.99 -0.30 0.00 -0.15 0.00 0.00 55.06 53.58 1h6k s HIS 367 Cb 0.16 -0.83 -0.12 0.00 1.11 0.00 0.00 32.58 32.89 1h6k s HIS 367 CO 0.70 -0.14 1.44 1.51 -0.85 0.00 0.00 174.74 177.40 1h6k n ILE 368 N -0.36 1.34 -0.25 0.60 3.06 -1.26 -4.88 119.36 117.61 1h6k n ILE 368 Ca -0.05 -0.34 0.05 0.00 -2.50 0.00 0.00 62.75 59.91 1h6k n ILE 368 Cb 0.64 -1.70 0.18 0.00 0.54 0.00 0.00 39.64 39.30 1h6k n ILE 368 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1h6k h ASP 369 N 3.84 0.27 -0.04 9.51 5.19 -1.98 -1.69 116.42 131.52 1h6k h ASP 369 Ca -0.46 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1h6k h ASP 369 Cb 1.26 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 1h6k h ASP 369 CO 0.72 0.10 0.03 1.62 -3.12 0.00 0.00 179.24 178.59 1h6k h VAL 370 N 0.44 0.98 -0.88 -1.35 3.04 -2.01 -2.26 116.25 114.21 1h6k h VAL 370 Ca 0.41 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 66.23 1h6k h VAL 370 Cb 0.61 0.98 -0.09 0.00 -2.01 0.00 0.00 31.29 30.79 1h6k h VAL 370 CO -0.40 0.00 0.48 -0.03 -1.01 0.00 0.00 177.57 176.61 1h6k h MET 371 N 0.00 0.70 -0.73 4.17 -1.53 -1.67 -1.56 114.93 114.31 1h6k h MET 371 Ca 0.02 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.18 1h6k h MET 371 Cb 0.07 -0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 30.93 1h6k h MET 371 CO -0.00 0.46 0.24 1.88 0.14 0.00 0.00 176.91 179.63 1h6k h TYR 372 N 0.72 1.15 0.11 1.39 0.05 -1.56 0.89 116.97 119.72 1h6k h TYR 372 Ca 0.46 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 59.14 1h6k h TYR 372 Cb 0.60 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1h6k h TYR 372 CO -0.07 0.90 -0.10 1.15 -1.05 0.00 0.00 178.16 179.00 1h6k h THR 373 N 1.08 0.78 0.00 -2.88 2.02 -1.35 -1.94 112.91 110.63 1h6k h THR 373 Ca 0.24 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.32 1h6k h THR 373 Cb 0.28 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1h6k h THR 373 CO -0.01 0.00 -0.46 0.71 0.37 0.00 0.00 175.52 176.13 1h6k h THR 374 N -0.22 0.99 -0.34 3.16 1.35 -1.20 -2.88 112.91 113.77 1h6k h THR 374 Ca 0.00 -1.83 -0.03 0.00 -0.55 0.00 0.00 66.41 64.01 1h6k h THR 374 Cb 0.21 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1h6k h THR 374 CO -0.02 0.45 0.11 0.25 -0.25 0.00 0.00 175.52 176.06 1h6k h LEU 375 N 0.00 0.49 -1.19 3.87 5.85 -0.58 -1.01 115.31 122.75 1h6k h LEU 375 Ca -0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1h6k h LEU 375 Cb 1.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1h6k h LEU 375 CO 0.06 0.56 0.25 -0.07 -0.34 0.00 0.00 178.44 178.90 1h6k h LEU 376 N 0.39 0.74 -0.44 2.25 3.38 -1.29 0.25 115.31 120.60 1h6k h LEU 376 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1h6k h LEU 376 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h6k h LEU 376 CO -0.00 0.65 0.17 0.40 0.09 0.00 0.00 178.44 179.75 1h6k h ILE 377 N 0.82 1.21 -0.84 1.22 2.04 -1.27 -0.31 117.51 120.37 1h6k h ILE 377 Ca 0.20 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1h6k h ILE 377 Cb 0.12 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1h6k h ILE 377 CO -0.02 0.24 0.39 -0.33 0.00 0.00 0.00 178.15 178.43 1h6k h GLU 378 N 0.57 1.22 -0.74 2.37 4.39 -0.57 -2.38 114.58 119.45 1h6k h GLU 378 Ca 0.15 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1h6k h GLU 378 Cb 0.21 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1h6k h GLU 378 CO -0.01 0.95 0.29 -0.07 -1.16 0.00 0.00 179.01 179.01 1h6k h LEU 379 N 1.21 1.03 -1.28 1.33 3.38 -0.72 -2.13 115.31 118.13 1h6k h LEU 379 Ca 0.29 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1h6k h LEU 379 Cb 0.14 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1h6k h LEU 379 CO -0.03 0.92 0.51 0.00 0.09 0.00 0.00 178.44 179.93 1h6k h LYS 381 N 0.91 0.63 0.00 0.00 1.57 -0.92 -2.38 116.57 116.37 1h6k h LYS 381 Ca 0.32 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1h6k h LYS 381 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1h6k h LYS 381 CO -0.10 0.87 -0.54 -0.07 -0.57 0.00 0.00 179.45 179.04 1h6k h LEU 382 N 0.53 0.00 -5.83 2.94 4.07 -0.79 -3.35 115.31 112.88 1h6k h LEU 382 Ca 0.06 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.48 1h6k h LEU 382 Cb 0.82 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.15 1h6k h LEU 382 CO 0.07 0.54 -0.95 0.00 -1.08 0.00 0.00 178.44 177.03 1h6k n GLN 383 N -3.42 1.75 -0.15 1.13 1.13 -0.29 -4.98 117.38 112.55 1h6k n GLN 383 Ca 0.01 -3.93 0.25 0.00 -1.94 0.00 0.00 57.00 51.39 1h6k n GLN 383 Cb 0.67 -1.83 0.68 0.00 0.11 0.00 0.00 30.24 29.87 1h6k n GLN 383 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1h6k h PRO 384 N 3.35 0.06 -0.18 -1.09 0.11 -1.57 -2.00 132.00 130.69 1h6k h PRO 384 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1h6k h PRO 384 Cb 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1h6k h PRO 384 CO 0.63 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1h6k n GLY 385 N -1.67 1.01 0.13 -0.55 0.00 -1.26 -4.65 105.19 98.20 1h6k n GLY 385 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1h6k n GLY 385 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h6k n SER 386 N 0.88 1.64 -0.04 1.61 3.41 -1.00 -4.79 113.62 115.33 1h6k n SER 386 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1h6k n SER 386 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1h6k n SER 386 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1h6k h LEU 387 N 0.00 0.22 -1.47 1.04 7.12 -1.66 -2.37 115.31 118.18 1h6k h LEU 387 Ca 0.00 -0.09 0.15 0.00 0.13 0.00 0.00 57.88 58.07 1h6k h LEU 387 Cb 0.45 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 1h6k h LEU 387 CO 0.00 0.25 0.54 -0.65 -0.13 0.00 0.00 178.44 178.44 1h6k h PRO 388 N 0.18 0.50 -0.04 5.25 0.11 -1.83 0.37 132.00 136.55 1h6k h PRO 388 Ca 0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1h6k h PRO 388 Cb 0.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1h6k h PRO 388 CO -0.01 0.33 -0.02 1.96 -0.21 0.00 0.00 178.00 180.05 1h6k h GLN 389 N 0.52 0.08 -0.33 1.05 7.50 -1.77 -0.26 115.11 121.89 1h6k h GLN 389 Ca 0.40 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.56 1h6k h GLN 389 Cb 0.82 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.31 1h6k h GLN 389 CO -0.15 0.50 0.09 0.28 -1.50 0.00 0.00 178.83 178.05 1h6k h VAL 390 N -0.34 0.88 -0.97 -0.54 2.07 -0.74 0.24 116.25 116.85 1h6k h VAL 390 Ca 0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1h6k h VAL 390 Cb 0.48 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1h6k h VAL 390 CO 0.01 0.04 0.62 0.25 0.02 0.00 0.00 177.57 178.50 1h6k h LEU 391 N 0.22 1.13 -0.59 2.57 5.85 -0.29 0.35 115.31 124.56 1h6k h LEU 391 Ca 0.15 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1h6k h LEU 391 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1h6k h LEU 391 CO -0.17 0.84 -0.28 0.00 -0.34 0.00 0.00 178.44 178.49 1h6k h ALA 392 N 1.36 0.78 -0.41 1.25 0.00 -0.28 -1.14 119.26 120.82 1h6k h ALA 392 Ca 0.35 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1h6k h ALA 392 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1h6k h ALA 392 CO -0.07 0.65 0.03 0.37 0.00 0.00 0.00 179.25 180.23 1h6k h GLN 393 N 0.70 0.71 -0.53 0.00 4.15 0.13 -2.29 115.11 117.98 1h6k h GLN 393 Ca 0.08 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.34 1h6k h GLN 393 Cb 0.82 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 1h6k h GLN 393 CO 0.07 0.78 0.27 0.00 -1.93 0.00 0.00 178.83 178.02 1h6k h ALA 394 N 0.91 0.68 -0.36 3.38 0.00 -0.09 -1.55 119.26 122.22 1h6k h ALA 394 Ca 0.12 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1h6k h ALA 394 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1h6k h ALA 394 CO 0.02 -0.07 0.17 1.15 0.00 0.00 0.00 179.25 180.52 1h6k h THR 395 N 0.53 0.97 -0.52 0.00 2.02 -1.01 0.18 112.91 115.07 1h6k h THR 395 Ca 0.23 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1h6k h THR 395 Cb 0.14 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1h6k h THR 395 CO -0.16 0.07 0.33 -0.08 0.37 0.00 0.00 175.52 176.05 1h6k h GLU 396 N 0.36 0.65 -0.48 6.66 4.57 -1.15 0.78 114.58 125.96 1h6k h GLU 396 Ca 0.16 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1h6k h GLU 396 Cb 0.08 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1h6k h GLU 396 CO -0.12 0.43 0.19 0.52 -1.18 0.00 0.00 179.01 178.86 1h6k h MET 397 N 0.67 0.72 -0.60 1.92 2.86 -0.62 0.36 114.93 120.25 1h6k h MET 397 Ca 0.20 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1h6k h MET 397 Cb -0.04 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 1h6k h MET 397 CO -0.07 0.65 0.31 -0.07 1.06 0.00 0.00 176.91 178.79 1h6k h LEU 398 N 0.64 0.76 -0.13 1.22 3.38 -0.29 -1.64 115.31 119.26 1h6k h LEU 398 Ca 0.16 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1h6k h LEU 398 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1h6k h LEU 398 CO -0.01 0.65 -0.02 0.22 0.09 0.00 0.00 178.44 179.37 1h6k h TYR 399 N 0.81 -0.05 0.00 1.13 3.20 -0.42 -2.34 116.97 119.30 1h6k h TYR 399 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1h6k h TYR 399 Cb 0.08 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1h6k h TYR 399 CO -0.01 -0.04 -0.03 0.52 -1.64 0.00 0.00 178.16 176.96 1h6k h MET 400 N 0.01 0.00 -0.47 1.82 2.86 -0.57 -2.17 114.93 116.42 1h6k h MET 400 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1h6k h MET 400 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1h6k h MET 400 CO -0.13 0.03 0.00 0.54 1.06 0.00 0.00 176.91 178.41 1h6k n ARG 401 N -3.21 2.47 0.16 1.72 1.74 -0.65 -4.56 116.66 114.34 1h6k n ARG 401 Ca -0.01 -2.24 0.18 0.00 -0.77 0.00 0.00 57.85 55.00 1h6k n ARG 401 Cb 0.21 -1.51 0.79 0.00 -1.02 0.00 0.00 32.46 30.93 1h6k n ARG 401 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1h6k h LEU 402 N 4.13 0.00 -1.35 0.55 3.38 -1.00 -3.12 115.31 117.90 1h6k h LEU 402 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1h6k h LEU 402 Cb 0.92 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1h6k h LEU 402 CO 0.00 0.00 0.57 0.44 0.09 0.00 0.00 178.44 179.54 1h6k h ASP 403 N 0.00 0.58 -0.19 -0.43 3.32 -1.83 -1.76 116.42 116.11 1h6k h ASP 403 Ca 0.12 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1h6k h ASP 403 Cb 0.65 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1h6k h ASP 403 CO -0.00 0.28 0.00 0.35 -1.72 0.00 0.00 179.24 178.15 1h6k n THR 404 N -4.55 1.48 -2.15 0.35 -2.24 -1.18 -4.96 114.28 101.03 1h6k n THR 404 Ca 0.18 -1.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 1h6k n THR 404 Cb 0.52 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1h6k n THR 404 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1h6k s MET 405 N -1.77 4.36 0.26 -0.78 0.00 -0.66 -2.93 119.30 117.77 1h6k s MET 405 Ca 0.24 2.14 -0.30 0.00 0.00 0.00 0.00 55.69 57.78 1h6k s MET 405 Cb 0.18 -3.15 -0.10 0.00 0.00 0.00 0.00 34.83 31.76 1h6k s MET 405 CO 0.08 -0.27 1.43 1.21 0.00 0.00 0.00 175.02 177.48 1h6k s ASN 406 N 0.16 6.65 0.33 1.11 3.84 0.69 -4.81 114.94 122.91 1h6k s ASN 406 Ca 0.56 2.68 0.11 0.00 0.21 0.00 0.00 52.86 56.42 1h6k s ASN 406 Cb -0.38 -2.63 0.98 0.00 -0.55 0.00 0.00 41.25 38.67 1h6k s ASN 406 CO 0.42 -0.70 1.68 0.74 -2.79 0.00 0.00 177.10 176.46 1h6k h THR 407 N 3.49 0.39 -0.80 -5.21 2.02 -1.91 0.15 112.91 111.04 1h6k h THR 407 Ca -0.46 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1h6k h THR 407 Cb 1.22 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1h6k h THR 407 CO 0.77 0.07 0.32 0.74 0.37 0.00 0.00 175.52 177.79 1h6k h THR 408 N 0.40 1.26 -0.12 3.16 2.02 -1.90 -1.49 112.91 116.24 1h6k h THR 408 Ca 0.68 -0.82 -0.18 0.00 0.77 0.00 0.00 66.41 66.86 1h6k h THR 408 Cb 1.46 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1h6k h THR 408 CO -0.56 0.34 -0.66 0.00 0.37 0.00 0.00 175.52 175.01 1h6k h VAL 410 N 0.35 1.23 -0.47 0.00 2.07 -0.70 0.52 116.25 119.24 1h6k h VAL 410 Ca -0.02 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1h6k h VAL 410 Cb 1.22 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1h6k h VAL 410 CO 0.12 0.24 0.19 0.44 0.02 0.00 0.00 177.57 178.57 1h6k h ASP 411 N 1.11 0.22 -0.31 0.57 5.19 -1.25 0.89 116.42 122.83 1h6k h ASP 411 Ca 0.29 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.65 1h6k h ASP 411 Cb -0.04 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1h6k h ASP 411 CO -0.05 0.16 -0.15 0.03 -3.12 0.00 0.00 179.24 176.11 1h6k h ARG 412 N 0.37 0.76 0.15 3.56 3.08 -1.33 -0.62 114.38 120.34 1h6k h ARG 412 Ca 0.22 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1h6k h ARG 412 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1h6k h ARG 412 CO -0.21 0.86 -0.13 0.35 -1.07 0.00 0.00 179.97 179.78 1h6k h PHE 413 N 0.68 -0.34 -0.25 3.04 3.57 -0.39 0.20 116.94 123.45 1h6k h PHE 413 Ca 0.11 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1h6k h PHE 413 Cb 0.63 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1h6k h PHE 413 CO 0.03 -0.20 -0.03 0.82 -2.23 0.00 0.00 178.31 176.70 1h6k h ILE 414 N -0.30 0.79 -0.50 1.41 2.04 -0.57 0.86 117.51 121.24 1h6k h ILE 414 Ca -0.00 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1h6k h ILE 414 Cb 0.28 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1h6k h ILE 414 CO -0.03 0.01 0.02 0.78 0.00 0.00 0.00 178.15 178.93 1h6k h ASN 415 N 0.04 0.85 0.17 1.72 2.35 -0.90 -1.80 115.58 118.02 1h6k h ASN 415 Ca 0.12 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1h6k h ASN 415 Cb 0.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h6k h ASN 415 CO -0.22 0.94 -0.08 -0.25 -1.65 0.00 0.00 177.43 176.17 1h6k h TRP 416 N 0.74 -0.21 -0.49 1.19 7.01 -0.30 -2.85 115.95 121.04 1h6k h TRP 416 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1h6k h TRP 416 Cb 0.50 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1h6k h TRP 416 CO 0.04 -0.01 0.26 0.35 -2.79 0.00 0.00 178.44 176.28 1h6k h PHE 417 N -0.38 0.68 -0.66 2.65 3.57 -0.76 0.19 116.94 122.23 1h6k h PHE 417 Ca -0.02 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1h6k h PHE 417 Cb 0.30 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1h6k h PHE 417 CO -0.02 0.52 0.22 0.66 -2.23 0.00 0.00 178.31 177.46 1h6k h SER 418 N 0.64 0.95 -0.30 0.41 4.64 -1.44 0.06 113.55 118.53 1h6k h SER 418 Ca 0.17 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1h6k h SER 418 Cb 0.07 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1h6k h SER 418 CO -0.03 0.89 -0.25 -0.74 -0.87 0.00 0.00 176.83 175.84 1h6k h HIS 419 N 0.95 0.82 0.04 4.77 -0.00 -1.19 -2.03 115.15 118.51 1h6k h HIS 419 Ca 0.21 -0.23 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1h6k h HIS 419 Cb 0.27 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1h6k h HIS 419 CO 0.02 0.97 -0.16 1.25 -0.00 0.00 0.00 177.93 180.00 1h6k h HIS 420 N 0.44 -0.43 -1.00 5.26 6.17 -0.54 -2.48 115.15 122.57 1h6k h HIS 420 Ca 0.05 0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.31 1h6k h HIS 420 Cb 0.81 0.19 -0.10 0.00 2.52 0.00 0.00 27.41 30.82 1h6k h HIS 420 CO 0.07 -0.24 0.61 -0.07 0.71 0.00 0.00 177.93 179.01 1h6k h LEU 421 N -0.29 0.83 -1.90 0.26 3.38 -0.83 0.22 115.31 116.98 1h6k h LEU 421 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h6k h LEU 421 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h6k h LEU 421 CO -0.13 0.35 0.00 0.77 0.09 0.00 0.00 178.44 179.52 1h6k h SER 422 N 0.84 0.00 0.20 -0.43 4.64 -0.91 0.40 113.55 118.29 1h6k h SER 422 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1h6k h SER 422 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1h6k h SER 422 CO -0.35 0.00 -0.29 0.59 -0.87 0.00 0.00 176.83 175.92 1h6k n ASN 423 N -2.90 1.15 -2.74 4.97 3.02 0.77 -4.25 115.26 115.29 1h6k n ASN 423 Ca -0.01 -0.97 -0.18 0.00 -0.03 0.00 0.00 54.58 53.39 1h6k n ASN 423 Cb 0.19 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1h6k n ASN 423 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1h6k n PHE 424 N -0.58 2.06 -1.70 3.10 3.72 -0.22 -4.96 117.46 118.89 1h6k n PHE 424 Ca 0.12 -3.24 -0.12 0.00 -0.05 0.00 0.00 57.45 54.16 1h6k n PHE 424 Cb 0.36 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1h6k n PHE 424 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1h6k n GLN 425 N -0.15 -1.59 -2.31 -1.08 6.02 -1.18 -1.52 117.38 115.56 1h6k n GLN 425 Ca 0.24 0.64 -0.21 0.00 -0.01 0.00 0.00 57.00 57.66 1h6k n GLN 425 Cb 0.68 -4.98 -0.02 0.00 1.02 0.00 0.00 30.24 26.95 1h6k n GLN 425 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1h6k n PHE 426 N -2.28 -0.89 -2.95 1.08 3.72 0.12 -4.94 117.46 111.32 1h6k n PHE 426 Ca -0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.87 1h6k n PHE 426 Cb 0.45 -3.94 -0.05 0.00 -0.94 0.00 0.00 39.48 35.01 1h6k n PHE 426 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1h6k s ARG 427 N -4.91 4.24 0.00 -1.08 0.52 -0.58 -4.99 118.95 112.16 1h6k s ARG 427 Ca 0.00 0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 55.88 1h6k s ARG 427 Cb 0.00 -3.60 0.04 0.00 0.52 0.00 0.00 34.95 31.92 1h6k s ARG 427 CO 0.00 -0.37 0.47 -0.46 0.02 0.00 0.00 175.30 174.96 1h6k s TRP 428 N 2.31 -0.37 -1.20 -0.53 -0.11 -1.26 -5.01 118.94 112.77 1h6k s TRP 428 Ca 0.34 0.51 -0.10 0.00 1.22 0.00 0.00 56.10 58.08 1h6k s TRP 428 Cb -0.16 0.25 0.21 0.00 -1.50 0.00 0.00 33.47 32.27 1h6k s TRP 428 CO 0.10 -0.54 1.54 -1.13 -4.62 0.00 0.00 176.95 172.31 1h6k n SER 429 N 0.82 5.42 -0.12 5.86 3.41 -1.26 -4.85 113.62 122.90 1h6k n SER 429 Ca -0.20 -3.10 0.11 0.00 -0.26 0.00 0.00 58.87 55.43 1h6k n SER 429 Cb 0.58 -1.46 0.47 0.00 -0.26 0.00 0.00 64.21 63.54 1h6k n SER 429 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1h6k h TRP 430 N 6.32 0.52 -0.39 7.33 4.06 -1.98 -1.91 115.95 129.89 1h6k h TRP 430 Ca 0.30 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.38 1h6k h TRP 430 Cb 0.75 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 1h6k h TRP 430 CO 1.08 0.24 0.31 1.05 -3.56 0.00 0.00 178.44 177.57 1h6k h GLU 431 N 0.49 0.00 -0.08 0.49 9.09 -2.00 0.17 114.58 122.75 1h6k h GLU 431 Ca 0.31 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.74 1h6k h GLU 431 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1h6k h GLU 431 CO -0.10 0.00 0.18 -0.44 0.05 0.00 0.00 179.01 178.70 1h6k h ASP 432 N 0.00 0.00 -0.44 3.06 3.32 -1.77 -1.44 116.42 119.15 1h6k h ASP 432 Ca 0.19 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 1h6k h ASP 432 Cb 0.81 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1h6k h ASP 432 CO -0.00 0.00 0.08 0.79 -1.72 0.00 0.00 179.24 178.38 1h6k n TRP 433 N -3.33 1.46 0.31 4.55 8.01 0.61 -4.60 117.44 124.45 1h6k n TRP 433 Ca -0.01 -1.26 0.19 0.00 -1.31 0.00 0.00 57.50 55.11 1h6k n TRP 433 Cb 0.26 -0.50 1.03 0.00 -2.01 0.00 0.00 31.31 30.10 1h6k n TRP 433 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1h6k h SER 434 N 1.67 0.00 0.00 -0.99 0.02 -1.33 -1.91 113.55 111.01 1h6k h SER 434 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1h6k h SER 434 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1h6k h SER 434 CO 0.45 0.00 0.03 -2.24 -1.14 0.00 0.00 176.83 173.93 1h6k h ASP 435 N 0.00 0.00 1.16 3.07 2.03 -1.84 -1.91 116.42 118.93 1h6k h ASP 435 Ca 0.01 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.22 1h6k h ASP 435 Cb 0.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1h6k h ASP 435 CO -0.00 0.00 -0.42 0.00 -1.03 0.00 0.00 179.24 177.79 1h6k h LEU 437 N 0.00 0.04 -0.87 0.00 3.38 -1.55 -2.64 115.31 113.67 1h6k h LEU 437 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h6k h LEU 437 Cb 1.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1h6k h LEU 437 CO 0.05 0.16 -0.23 -1.54 0.09 0.00 0.00 178.44 176.98 1h6k n SER 438 N -4.38 1.57 -4.93 -0.43 3.41 -1.25 -4.94 113.62 102.68 1h6k n SER 438 Ca -0.02 -1.28 -0.26 0.00 -0.26 0.00 0.00 58.87 57.05 1h6k n SER 438 Cb 0.20 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1h6k n SER 438 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1h6k s GLN 439 N -2.34 2.94 0.15 4.33 -0.21 -0.99 -5.01 119.66 118.53 1h6k s GLN 439 Ca 0.26 -0.14 -0.34 0.00 0.02 0.00 0.00 55.36 55.17 1h6k s GLN 439 Cb 0.19 -2.34 -0.14 0.00 1.00 0.00 0.00 33.01 31.73 1h6k s GLN 439 CO 0.47 -0.61 1.59 -3.47 -2.12 0.00 0.00 175.29 171.16 1h6k n ASP 440 N -2.47 3.13 0.32 5.90 -0.08 -1.26 -4.84 116.55 117.26 1h6k n ASP 440 Ca 0.04 1.08 0.20 0.00 -1.51 0.00 0.00 54.79 54.60 1h6k n ASP 440 Cb 0.58 -1.43 1.08 0.00 2.34 0.00 0.00 41.12 43.69 1h6k n ASP 440 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1h6k h PRO 441 N 6.09 0.00 -0.00 -0.67 0.11 -1.95 0.18 132.00 135.76 1h6k h PRO 441 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h6k h PRO 441 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1h6k h PRO 441 CO 0.89 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 178.99 1h6k n GLU 442 N -3.19 0.37 -2.14 1.05 1.02 -1.26 -3.67 120.64 112.82 1h6k n GLU 442 Ca -0.02 -0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.69 1h6k n GLU 442 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1h6k n GLU 442 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1h6k s SER 443 N -2.68 5.52 0.27 1.62 0.01 0.63 -4.81 113.70 114.26 1h6k s SER 443 Ca 0.24 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.81 1h6k s SER 443 Cb 0.20 -2.59 0.62 0.00 0.21 0.00 0.00 66.02 64.46 1h6k s SER 443 CO 0.50 -1.36 1.70 -0.65 0.41 0.00 0.00 173.24 173.84 1h6k h PRO 444 N 1.16 0.37 0.77 12.44 0.11 -1.89 -1.38 132.00 143.57 1h6k h PRO 444 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1h6k h PRO 444 Cb 1.28 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1h6k h PRO 444 CO 0.56 0.25 -0.37 0.87 -0.21 0.00 0.00 178.00 179.10 1h6k h LYS 445 N 0.38 -0.99 -0.78 1.05 1.57 -1.91 0.77 116.57 116.66 1h6k h LYS 445 Ca 0.50 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1h6k h LYS 445 Cb 0.91 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1h6k h LYS 445 CO -0.51 -0.66 0.50 -1.00 -0.57 0.00 0.00 179.45 177.22 1h6k h PRO 446 N -1.21 1.04 -0.61 3.15 0.13 -1.77 -1.88 132.00 130.86 1h6k h PRO 446 Ca -0.11 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1h6k h PRO 446 Cb 0.79 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1h6k h PRO 446 CO 0.17 0.71 0.39 -0.22 -0.23 0.00 0.00 178.00 178.82 1h6k h LYS 447 N 1.07 0.75 -0.26 0.86 3.64 -1.27 -0.09 116.57 121.26 1h6k h LYS 447 Ca 0.29 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 1h6k h LYS 447 Cb -0.10 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.50 1h6k h LYS 447 CO -0.06 0.50 -0.09 0.35 -2.27 0.00 0.00 179.45 177.88 1h6k h PHE 448 N 0.78 -0.21 -0.42 1.91 3.57 -0.21 0.02 116.94 122.37 1h6k h PHE 448 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1h6k h PHE 448 Cb -0.03 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1h6k h PHE 448 CO -0.04 -0.15 0.19 0.28 -2.23 0.00 0.00 178.31 176.36 1h6k h VAL 449 N -0.04 1.18 -0.19 1.41 2.07 -0.92 -0.39 116.25 119.38 1h6k h VAL 449 Ca 0.13 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1h6k h VAL 449 Cb 0.24 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1h6k h VAL 449 CO -0.29 0.20 -0.05 0.03 0.02 0.00 0.00 177.57 177.48 1h6k h ARG 450 N 0.54 -0.00 -0.61 1.57 3.08 -0.53 -1.21 114.38 117.21 1h6k h ARG 450 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1h6k h ARG 450 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1h6k h ARG 450 CO -0.02 -0.00 0.19 0.93 -1.07 0.00 0.00 179.97 180.00 1h6k h GLU 451 N -0.00 0.92 -0.38 0.04 4.39 -0.70 -1.28 114.58 117.57 1h6k h GLU 451 Ca 0.09 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1h6k h GLU 451 Cb 0.14 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1h6k h GLU 451 CO -0.19 0.79 0.11 0.28 -1.16 0.00 0.00 179.01 178.84 1h6k h VAL 452 N 0.89 1.22 -0.54 3.13 2.07 -0.75 -1.18 116.25 121.09 1h6k h VAL 452 Ca 0.20 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1h6k h VAL 452 Cb 0.25 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1h6k h VAL 452 CO -0.01 0.25 0.15 -0.07 0.02 0.00 0.00 177.57 177.92 1h6k h LEU 453 N 0.48 0.76 -0.44 2.57 3.38 -0.98 0.19 115.31 121.27 1h6k h LEU 453 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1h6k h LEU 453 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1h6k h LEU 453 CO -0.00 0.73 0.10 -0.08 0.09 0.00 0.00 178.44 179.28 1h6k h GLU 454 N 0.79 0.71 -0.75 1.13 4.81 -1.06 -1.30 114.58 118.91 1h6k h GLU 454 Ca 0.18 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1h6k h GLU 454 Cb 0.26 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1h6k h GLU 454 CO -0.01 0.72 0.31 0.87 -0.73 0.00 0.00 179.01 180.17 1h6k h LYS 455 N 0.58 1.12 -0.51 1.92 1.79 -0.64 -2.59 116.57 118.25 1h6k h LYS 455 Ca 0.14 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1h6k h LYS 455 Cb 0.33 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1h6k h LYS 455 CO 0.00 0.91 0.33 0.00 -1.08 0.00 0.00 179.45 179.62 1h6k h MET 457 N 0.69 0.67 0.00 0.00 1.85 -0.93 0.14 114.93 117.35 1h6k h MET 457 Ca 0.19 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1h6k h MET 457 Cb -0.08 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 31.81 1h6k h MET 457 CO -0.04 0.47 -0.01 0.00 -0.40 0.00 0.00 176.91 176.93 1h6k h ARG 458 N 0.69 0.00 -0.57 0.39 3.08 -1.07 0.70 114.38 117.59 1h6k h ARG 458 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1h6k h ARG 458 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1h6k h ARG 458 CO -0.03 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 1h6k n LEU 459 N -3.13 3.64 0.00 3.04 4.77 0.41 -4.99 117.00 120.73 1h6k n LEU 459 Ca -0.01 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1h6k n LEU 459 Cb 0.19 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1h6k n LEU 459 CO 0.24 0.87 0.00 -0.24 -1.33 0.00 0.00 177.39 176.93 1h6k n SER 460 N 1.14 2.32 -4.13 -1.43 2.88 0.24 -5.08 113.62 109.57 1h6k n SER 460 Ca 0.20 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 1h6k n SER 460 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 1h6k n SER 460 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1h6k s TYR 461 N 0.57 0.77 0.17 0.66 1.13 -1.24 -4.89 117.35 114.52 1h6k s TYR 461 Ca 0.00 -0.81 -0.18 0.00 -1.41 0.00 0.00 57.07 54.67 1h6k s TYR 461 Cb 0.00 -0.46 0.09 0.00 -1.10 0.00 0.00 41.96 40.49 1h6k s TYR 461 CO 0.00 -0.16 1.65 1.25 -2.51 0.00 0.00 175.55 175.79 1h6k h HIS 462 N 3.45 -0.34 -0.05 -3.49 -0.00 -1.98 -2.44 115.15 110.30 1h6k h HIS 462 Ca -0.35 0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 59.93 1h6k h HIS 462 Cb 1.17 0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.78 1h6k h HIS 462 CO 0.60 -0.22 -0.57 0.37 -0.00 0.00 0.00 177.93 178.11 1h6k h GLN 463 N -0.07 0.16 0.10 5.26 5.75 -1.98 -0.83 115.11 123.50 1h6k h GLN 463 Ca 0.19 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1h6k h GLN 463 Cb 0.36 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1h6k h GLN 463 CO -0.44 0.68 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.27 1h6k h ARG 464 N 0.12 -0.15 -0.38 1.69 1.12 -1.89 -0.93 114.38 113.96 1h6k h ARG 464 Ca -0.00 0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.73 1h6k h ARG 464 Cb 1.03 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 1h6k h ARG 464 CO 0.08 -0.10 -0.36 0.82 -3.11 0.00 0.00 179.97 177.31 1h6k h ILE 465 N -0.16 1.27 -0.28 1.20 1.08 -1.38 -2.00 117.51 117.25 1h6k h ILE 465 Ca -0.01 -1.53 0.08 0.00 -0.39 0.00 0.00 64.86 63.02 1h6k h ILE 465 Cb 0.13 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1h6k h ILE 465 CO 0.01 0.51 0.22 0.25 -0.69 0.00 0.00 178.15 178.44 1h6k h LEU 466 N 0.74 0.00 0.00 1.44 5.85 -0.93 -2.30 115.31 120.12 1h6k h LEU 466 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h6k h LEU 466 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1h6k h LEU 466 CO 0.09 0.00 -0.65 0.47 -0.34 0.00 0.00 178.44 178.00 1h6k n ASP 467 N -4.31 0.59 0.11 1.25 8.00 -0.37 -4.07 116.55 117.75 1h6k n ASP 467 Ca 0.04 -0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.41 1h6k n ASP 467 Cb 0.38 0.40 0.39 0.00 -0.02 0.00 0.00 41.12 42.27 1h6k n ASP 467 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1h6k h ILE 468 N 0.00 0.00 -2.59 0.53 3.07 -0.97 -3.46 117.51 114.10 1h6k h ILE 468 Ca 0.00 -0.50 -0.55 0.00 1.55 0.00 0.00 64.86 65.36 1h6k h ILE 468 Cb 0.57 1.50 -0.04 0.00 -0.27 0.00 0.00 36.82 38.58 1h6k h ILE 468 CO 0.00 0.00 -0.51 0.68 -1.05 0.00 0.00 178.15 177.27 1h6k s VAL 469 N -3.11 4.92 0.68 0.16 -7.23 -1.25 -4.87 120.40 109.70 1h6k s VAL 469 Ca 0.10 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.21 1h6k s VAL 469 Cb 0.12 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.53 1h6k s VAL 469 CO 0.60 -0.12 1.23 -2.84 -0.31 0.00 0.00 175.10 173.65 1h6k s PRO 470 N -3.23 2.41 0.47 4.82 0.02 -1.26 -4.85 135.00 133.38 1h6k s PRO 470 Ca 0.33 1.84 0.27 0.00 0.02 0.00 0.00 61.00 63.46 1h6k s PRO 470 Cb -0.10 -1.86 1.33 0.00 0.02 0.00 0.00 34.50 33.89 1h6k s PRO 470 CO 0.26 -1.65 1.80 -1.35 -0.33 0.00 0.00 177.00 175.73 1h6k h PRO 471 N 0.14 0.18 0.00 5.54 0.11 -1.97 0.41 132.00 136.41 1h6k h PRO 471 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h6k h PRO 471 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h6k h PRO 471 CO 0.52 0.12 0.00 1.79 -0.21 0.00 0.00 178.00 180.22 1h6k h THR 472 N 0.19 0.00 -0.13 -1.15 1.35 -2.02 -2.62 112.91 108.52 1h6k h THR 472 Ca 0.56 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1h6k h THR 472 Cb 1.82 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1h6k h THR 472 CO -0.14 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.62 1h6k n PHE 473 N -2.99 0.14 -0.31 4.73 3.01 0.14 -4.58 117.46 117.60 1h6k n PHE 473 Ca 0.00 -0.07 0.08 0.00 1.01 0.00 0.00 57.45 58.47 1h6k n PHE 473 Cb 0.25 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.01 1h6k n PHE 473 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1h6k h SER 474 N 4.14 0.83 0.32 4.37 4.64 -1.44 -0.86 113.55 125.55 1h6k h SER 474 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1h6k h SER 474 Cb 0.89 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1h6k h SER 474 CO 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 1h6k n ALA 475 N -2.39 1.94 1.00 5.18 0.00 -1.26 -2.23 120.51 122.75 1h6k n ALA 475 Ca 0.17 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1h6k n ALA 475 Cb 0.35 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.55 1h6k n ALA 475 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h6k n LEU 476 N -1.28 0.82 -4.78 0.00 4.32 -0.33 -4.94 117.00 110.81 1h6k n LEU 476 Ca 0.08 -0.31 -0.36 0.00 -0.02 0.00 0.00 56.01 55.41 1h6k n LEU 476 Cb 0.14 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 41.83 1h6k n LEU 476 CO 0.13 0.20 0.79 0.00 -1.22 0.00 0.00 177.39 177.29 1h6k s PRO 478 N -3.10 3.35 0.67 0.00 0.04 -1.26 -5.01 135.00 129.69 1h6k s PRO 478 Ca 0.69 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.28 1h6k s PRO 478 Cb -0.25 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1h6k s PRO 478 CO 0.28 -0.87 1.09 -1.54 0.04 0.00 0.00 177.00 176.00 1h6k s SER 479 N -1.67 5.19 0.21 6.66 1.04 -1.26 -4.95 113.70 118.92 1h6k s SER 479 Ca 0.72 1.86 -0.31 0.00 0.48 0.00 0.00 55.95 58.70 1h6k s SER 479 Cb -0.26 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.22 1h6k s SER 479 CO 0.29 -1.57 1.60 0.21 0.98 0.00 0.00 173.24 174.75 1h6k s ASN 480 N -2.98 6.50 -1.09 7.02 2.47 -1.26 -4.85 114.94 120.75 1h6k s ASN 480 Ca 0.64 2.76 -0.10 0.00 0.42 0.00 0.00 52.86 56.57 1h6k s ASN 480 Cb -0.18 -2.61 -0.07 0.00 -1.45 0.00 0.00 41.25 36.95 1h6k s ASN 480 CO 0.45 -0.87 2.27 -0.81 -3.72 0.00 0.00 177.10 174.43 1h6k n PRO 481 N 3.40 2.39 -3.53 0.43 -0.04 -1.26 -4.83 135.00 131.56 1h6k n PRO 481 Ca 0.12 -1.78 -0.34 0.00 -0.04 0.00 0.00 63.50 61.46 1h6k n PRO 481 Cb 0.38 -2.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 1h6k n PRO 481 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1h6k s THR 482 N 3.41 5.05 0.50 0.52 -4.23 -1.26 -4.76 115.64 114.87 1h6k s THR 482 Ca 0.50 0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 61.27 1h6k s THR 482 Cb 0.13 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 1h6k s THR 482 CO -0.02 0.22 1.15 0.00 -0.54 0.00 0.00 174.62 175.43 1h6k s ILE 484 N -1.65 2.52 -0.31 0.00 1.01 -0.37 -5.06 121.20 117.34 1h6k s ILE 484 Ca 0.68 -1.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 1h6k s ILE 484 Cb -0.26 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1h6k s ILE 484 CO 0.31 -0.31 0.41 -0.47 0.00 0.00 0.00 174.94 174.88 1h6k s TYR 485 N 1.07 3.22 0.46 3.97 6.04 -1.26 -4.37 117.35 126.48 1h6k s TYR 485 Ca 0.00 0.21 0.18 0.00 0.04 0.00 0.00 57.07 57.50 1h6k s TYR 485 Cb -0.20 -2.70 1.16 0.00 -1.04 0.00 0.00 41.96 39.18 1h6k s TYR 485 CO -0.05 -0.38 2.04 -0.22 -1.54 0.00 0.00 175.55 175.40 1h6k h LYS 486 N 8.34 0.00 -1.23 4.97 3.64 -1.94 -3.16 116.57 127.19 1h6k h LYS 486 Ca -0.30 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.48 1h6k h LYS 486 Cb 1.15 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.57 1h6k h LYS 486 CO 0.69 0.14 -0.47 0.66 -2.27 0.00 0.00 179.45 178.21 1h6k n TYR 487 N -4.21 3.11 -2.47 1.91 4.02 -1.26 -4.69 117.16 113.57 1h6k n TYR 487 Ca -0.02 -2.69 -0.15 0.00 -0.01 0.00 0.00 57.90 55.02 1h6k n TYR 487 Cb 0.21 -0.40 0.08 0.00 -0.02 0.00 0.00 39.34 39.22 1h6k n TYR 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h6k n GLY 488 N -0.61 0.64 3.06 2.72 0.00 -1.20 -4.90 105.19 104.90 1h6k n GLY 488 Ca 0.44 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1h6k n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h6k n ASP 489 N -2.95 2.68 0.00 1.61 10.43 -1.26 -1.44 116.55 125.61 1h6k n ASP 489 Ca 0.11 -2.64 0.00 0.00 2.57 0.00 0.00 54.79 54.83 1h6k n ASP 489 Cb 0.39 -1.10 0.00 0.00 1.84 0.00 0.00 41.12 42.25 1h6k n ASP 489 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1h6k n GLU 490 N 6.76 0.00 -1.25 -1.24 2.13 -1.26 -5.15 120.64 120.62 1h6k n GLU 490 Ca 0.49 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.01 1h6k n GLU 490 Cb 0.38 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.23 1h6k n GLU 490 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1h6k s SER 491 N 0.00 3.34 -0.08 4.31 1.04 -0.52 -5.03 113.70 116.76 1h6k s SER 491 Ca 0.00 1.35 -0.15 0.00 0.48 0.00 0.00 55.95 57.64 1h6k s SER 491 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 1h6k s SER 491 CO 0.00 -2.70 0.37 -0.94 0.98 0.00 0.00 173.24 170.95 1h6k s SER 492 N -3.52 6.64 0.00 7.02 1.04 -1.26 -4.94 113.70 118.69 1h6k s SER 492 Ca 0.64 0.76 0.12 0.00 0.48 0.00 0.00 55.95 57.95 1h6k s SER 492 Cb -0.18 -2.22 0.71 0.00 0.10 0.00 0.00 66.02 64.43 1h6k s SER 492 CO 0.57 0.20 1.14 -0.46 0.98 0.00 0.00 173.24 175.67 1h6k n ASN 493 N 2.70 0.00 0.02 7.02 2.04 -1.26 -1.82 115.26 123.96 1h6k n ASN 493 Ca -0.12 -0.62 0.13 0.00 -0.44 0.00 0.00 54.58 53.53 1h6k n ASN 493 Cb 0.52 0.00 0.40 0.00 -2.53 0.00 0.00 39.78 38.17 1h6k n ASN 493 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1h6k n SER 494 N -0.88 0.35 -4.76 0.53 3.41 -1.26 -4.72 113.62 106.30 1h6k n SER 494 Ca 0.09 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1h6k n SER 494 Cb 0.04 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1h6k n SER 494 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h6k s LEU 495 N -3.28 4.39 0.06 1.04 1.43 -0.76 -4.91 118.68 116.65 1h6k s LEU 495 Ca 0.12 2.72 -0.36 0.00 -1.03 0.00 0.00 54.13 55.57 1h6k s LEU 495 Cb 0.17 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.60 1h6k s LEU 495 CO 0.63 -0.67 1.43 -2.65 0.23 0.00 0.00 176.35 175.32 1h6k n PRO 496 N 1.68 1.35 -0.99 1.29 -0.02 -1.26 -1.09 135.00 135.97 1h6k n PRO 496 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1h6k n PRO 496 Cb 0.41 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1h6k n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h6k n GLY 497 N 2.87 0.30 0.27 -1.23 0.00 -1.26 -4.90 105.19 101.24 1h6k n GLY 497 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1h6k n GLY 497 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1h6k h HIS 498 N 0.00 0.36 -0.39 1.61 2.76 -1.40 -0.22 115.15 117.87 1h6k h HIS 498 Ca 0.00 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1h6k h HIS 498 Cb 0.40 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1h6k h HIS 498 CO 0.25 -0.03 0.13 0.66 -1.30 0.00 0.00 177.93 177.64 1h6k h SER 499 N 0.33 0.56 -0.46 3.26 4.64 -1.86 -2.22 113.55 117.79 1h6k h SER 499 Ca 0.41 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1h6k h SER 499 Cb 0.68 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1h6k h SER 499 CO -0.47 0.61 0.09 0.58 -0.87 0.00 0.00 176.83 176.77 1h6k h VAL 500 N 0.48 1.23 -0.22 0.95 2.07 -1.73 -1.82 116.25 117.21 1h6k h VAL 500 Ca 0.13 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1h6k h VAL 500 Cb 0.25 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1h6k h VAL 500 CO -0.01 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1h6k h ALA 501 N 1.32 0.19 -0.92 1.67 0.00 -0.69 0.23 119.26 121.07 1h6k h ALA 501 Ca 0.17 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1h6k h ALA 501 Cb 0.34 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1h6k h ALA 501 CO 0.00 -0.42 0.60 -0.07 0.00 0.00 0.00 179.25 179.36 1h6k h LEU 502 N 0.07 0.99 -0.95 0.00 3.38 -1.01 0.41 115.31 118.21 1h6k h LEU 502 Ca 0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1h6k h LEU 502 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1h6k h LEU 502 CO -0.18 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 178.93 1h6k h LEU 504 N 0.60 0.12 0.13 0.00 3.38 0.61 -0.67 115.31 119.48 1h6k h LEU 504 Ca 0.11 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1h6k h LEU 504 Cb 0.53 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1h6k h LEU 504 CO 0.03 0.33 -0.35 0.00 0.09 0.00 0.00 178.44 178.54 1h6k h ALA 505 N 0.80 -0.61 -0.93 1.53 0.00 -0.61 0.31 119.26 119.74 1h6k h ALA 505 Ca 0.02 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1h6k h ALA 505 Cb 0.26 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1h6k h ALA 505 CO 0.00 -0.90 0.59 0.28 0.00 0.00 0.00 179.25 179.22 1h6k h VAL 506 N -0.58 1.07 0.04 0.00 2.07 -1.32 -2.30 116.25 115.23 1h6k h VAL 506 Ca 0.03 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1h6k h VAL 506 Cb 0.61 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1h6k h VAL 506 CO -0.20 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.57 1h6k h ALA 507 N 1.42 -0.05 -0.30 1.67 0.00 -0.19 -2.92 119.26 118.89 1h6k h ALA 507 Ca 0.40 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1h6k h ALA 507 Cb 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1h6k h ALA 507 CO -0.17 -0.48 -0.03 0.74 0.00 0.00 0.00 179.25 179.31 1h6k h PHE 508 N -0.16 -0.08 0.01 0.00 0.05 -0.08 -2.98 116.94 113.71 1h6k h PHE 508 Ca -0.01 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.83 1h6k h PHE 508 Cb 0.14 0.08 -0.06 0.00 2.00 0.00 0.00 35.95 38.12 1h6k h PHE 508 CO -0.04 -0.09 -0.53 0.87 -0.18 0.00 0.00 178.31 178.34 1h6k h LYS 509 N 0.05 -0.65 -1.16 1.51 1.57 -1.35 -0.56 116.57 115.97 1h6k h LYS 509 Ca 0.15 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1h6k h LYS 509 Cb 0.21 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1h6k h LYS 509 CO -0.28 -0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 177.04 1h6k n SER 510 N -5.47 2.24 -1.30 0.86 3.41 -1.11 -4.94 113.62 107.31 1h6k n SER 510 Ca -0.07 -1.60 0.18 0.00 -0.26 0.00 0.00 58.87 57.11 1h6k n SER 510 Cb 0.40 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1h6k n SER 510 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1h6k n LYS 511 N 0.55 -2.67 0.00 4.33 4.81 -0.22 -5.03 118.16 119.93 1h6k n LYS 511 Ca 0.00 1.81 0.00 0.00 -0.87 0.00 0.00 58.31 59.25 1h6k n LYS 511 Cb 0.38 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.19 1h6k n LYS 511 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h6k n ALA 512 N -2.40 0.00 -1.00 3.14 0.00 -1.26 -4.34 120.51 114.66 1h6k n ALA 512 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1h6k n ALA 512 Cb 0.60 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.20 1h6k n ALA 512 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1h6k s THR 513 N 0.00 2.54 0.42 0.00 -1.32 -1.26 -4.87 115.64 111.15 1h6k s THR 513 Ca 0.00 0.18 0.09 0.00 -1.21 0.00 0.00 61.69 60.75 1h6k s THR 513 Cb 0.00 -2.49 0.28 0.00 -1.51 0.00 0.00 72.50 68.78 1h6k s THR 513 CO 0.00 -0.23 2.04 0.78 -2.21 0.00 0.00 174.62 175.00 1h6k h ASN 514 N -1.71 0.43 -0.62 8.08 -0.26 -2.00 -2.09 115.58 117.41 1h6k h ASN 514 Ca -0.49 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.28 1h6k h ASN 514 Cb 1.28 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.39 1h6k h ASN 514 CO 0.50 0.30 0.37 0.44 -1.06 0.00 0.00 177.43 177.98 1h6k h ASP 515 N 0.50 0.58 -0.24 5.81 3.45 -1.98 0.22 116.42 124.75 1h6k h ASP 515 Ca 0.17 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.68 1h6k h ASP 515 Cb 0.09 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 1h6k h ASP 515 CO -0.04 0.40 0.04 -0.33 -1.57 0.00 0.00 179.24 177.73 1h6k h GLU 516 N 0.71 0.13 -0.11 3.56 5.08 -1.72 0.68 114.58 122.90 1h6k h GLU 516 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1h6k h GLU 516 Cb 0.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1h6k h GLU 516 CO -0.13 0.08 0.01 0.82 -1.00 0.00 0.00 179.01 178.79 1h6k h ILE 517 N 0.13 1.24 -0.68 3.13 5.03 -1.39 -1.96 117.51 123.02 1h6k h ILE 517 Ca 0.11 -0.77 0.14 0.00 -0.12 0.00 0.00 64.86 64.23 1h6k h ILE 517 Cb 0.12 1.53 -0.12 0.00 -3.03 0.00 0.00 36.82 35.32 1h6k h ILE 517 CO -0.16 0.22 -0.03 -0.26 -0.68 0.00 0.00 178.15 177.24 1h6k h PHE 518 N -0.06 -0.11 0.34 1.37 0.04 -0.31 0.87 116.94 119.08 1h6k h PHE 518 Ca 0.03 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1h6k h PHE 518 Cb 0.34 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1h6k h PHE 518 CO 0.03 -0.22 -0.48 1.03 -0.60 0.00 0.00 178.31 178.07 1h6k h SER 519 N 0.09 -1.35 -0.85 2.17 0.87 -0.62 -1.96 113.55 111.89 1h6k h SER 519 Ca 0.35 0.12 0.19 0.00 -1.23 0.00 0.00 61.79 61.23 1h6k h SER 519 Cb 0.59 0.47 -0.06 0.00 -0.44 0.00 0.00 62.40 62.96 1h6k h SER 519 CO -0.61 -0.59 0.57 0.40 -0.53 0.00 0.00 176.83 176.07 1h6k h ILE 520 N -0.86 0.70 -0.18 2.23 2.04 -0.40 -1.30 117.51 119.74 1h6k h ILE 520 Ca -0.03 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 1h6k h ILE 520 Cb 0.79 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1h6k h ILE 520 CO -0.14 0.07 -0.56 -0.07 0.00 0.00 0.00 178.15 177.45 1h6k h LEU 521 N 0.38 0.63 -1.77 1.44 3.38 -0.19 -2.97 115.31 116.20 1h6k h LEU 521 Ca 0.44 -0.34 0.27 0.00 0.09 0.00 0.00 57.88 58.33 1h6k h LEU 521 Cb 1.11 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1h6k h LEU 521 CO -0.15 1.06 0.68 0.11 0.09 0.00 0.00 178.44 180.23 1h6k h LYS 522 N 0.43 0.16 -0.28 1.13 1.57 -0.52 0.45 116.57 119.51 1h6k h LYS 522 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h6k h LYS 522 Cb 1.11 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1h6k h LYS 522 CO 0.11 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 178.84 1h6k n ASP 523 N -4.37 0.28 -4.53 0.86 8.00 -1.12 -4.68 116.55 110.99 1h6k n ASP 523 Ca 0.21 -1.40 -0.35 0.00 0.71 0.00 0.00 54.79 53.97 1h6k n ASP 523 Cb 0.95 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.80 1h6k n ASP 523 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h6k s VAL 524 N -1.60 4.29 1.16 2.53 1.01 0.16 -4.98 120.40 122.96 1h6k s VAL 524 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1h6k s VAL 524 Cb 0.00 -2.93 0.26 0.00 0.00 0.00 0.00 36.38 33.71 1h6k s VAL 524 CO 0.00 0.44 1.08 -2.16 0.00 0.00 0.00 175.10 174.46 1h6k s PRO 525 N 0.70 -0.84 -0.21 2.72 0.04 -1.26 -4.92 135.00 131.22 1h6k s PRO 525 Ca 0.01 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.26 1h6k s PRO 525 Cb -0.14 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 32.84 1h6k s PRO 525 CO 0.02 -3.51 -0.07 1.21 0.04 0.00 0.00 177.00 174.68 1h6k s ASN 526 N -3.58 3.58 0.06 6.66 3.84 -1.26 -4.64 114.94 119.60 1h6k s ASN 526 Ca 0.69 -1.02 0.18 0.00 0.21 0.00 0.00 52.86 52.92 1h6k s ASN 526 Cb -0.14 -1.18 0.77 0.00 -0.55 0.00 0.00 41.25 40.15 1h6k s ASN 526 CO 0.57 -0.19 1.58 -0.81 -2.79 0.00 0.00 177.10 175.46 1h6k n PRO 527 N 4.69 0.05 -2.14 0.43 -0.04 -1.26 -5.12 135.00 131.61 1h6k n PRO 527 Ca -0.13 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 1h6k n PRO 527 Cb 0.45 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1h6k n PRO 527 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1h6k s SER 538 N -3.30 6.81 -0.25 3.54 1.04 -1.26 -5.14 113.70 115.14 1h6k s SER 538 Ca 0.07 2.64 -0.03 0.00 0.48 0.00 0.00 55.95 59.11 1h6k s SER 538 Cb 0.11 -2.64 0.14 0.00 0.10 0.00 0.00 66.02 63.72 1h6k s SER 538 CO 0.33 -0.51 0.42 0.12 0.98 0.00 0.00 173.24 174.58 1h6k s PHE 539 N -0.99 -0.96 -0.34 5.02 5.36 -1.26 -4.52 117.98 120.29 1h6k s PHE 539 Ca 0.50 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1h6k s PHE 539 Cb -0.39 0.15 0.11 0.00 -0.34 0.00 0.00 43.02 42.54 1h6k s PHE 539 CO 0.51 -0.72 0.11 1.21 -1.46 0.00 0.00 175.22 174.87 1h6k s ASN 540 N 2.61 4.12 0.21 6.13 3.84 -1.26 -5.02 114.94 125.57 1h6k s ASN 540 Ca 0.12 -1.91 -0.09 0.00 0.21 0.00 0.00 52.86 51.19 1h6k s ASN 540 Cb -0.15 -1.05 0.26 0.00 -0.55 0.00 0.00 41.25 39.76 1h6k s ASN 540 CO -0.16 -0.38 1.78 1.55 -2.79 0.00 0.00 177.10 177.09 1h6k h PRO 541 N 7.76 0.54 -0.86 0.43 0.13 -1.96 -2.04 132.00 136.01 1h6k h PRO 541 Ca -0.10 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1h6k h PRO 541 Cb 1.00 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.96 1h6k h PRO 541 CO 0.49 0.36 0.55 1.25 -0.23 0.00 0.00 178.00 180.42 1h6k h LEU 542 N 0.56 0.92 0.19 1.56 5.85 -1.95 0.33 115.31 122.76 1h6k h LEU 542 Ca 0.30 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1h6k h LEU 542 Cb 0.28 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1h6k h LEU 542 CO -0.24 0.63 -0.12 0.11 -0.34 0.00 0.00 178.44 178.49 1h6k h LYS 543 N 1.07 -0.29 -0.25 1.25 1.57 -1.65 -0.44 116.57 117.83 1h6k h LYS 543 Ca 0.34 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.19 1h6k h LYS 543 Cb 0.01 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1h6k h LYS 543 CO -0.12 -0.19 -0.06 0.82 -0.57 0.00 0.00 179.45 179.33 1h6k h ILE 544 N -0.30 0.74 0.13 1.86 2.04 -0.76 -1.54 117.51 119.69 1h6k h ILE 544 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1h6k h ILE 544 Cb 0.25 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1h6k h ILE 544 CO 0.02 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.89 1h6k h GLU 545 N -0.00 -0.38 -0.31 2.37 4.81 -0.07 0.21 114.58 121.20 1h6k h GLU 545 Ca 0.12 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1h6k h GLU 545 Cb 0.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1h6k h GLU 545 CO -0.26 -0.25 -0.09 -0.39 -0.73 0.00 0.00 179.01 177.29 1h6k h VAL 546 N -0.39 1.22 -0.08 0.32 -1.51 -0.99 -0.92 116.25 113.90 1h6k h VAL 546 Ca 0.02 -0.96 -0.02 0.00 -1.23 0.00 0.00 66.70 64.51 1h6k h VAL 546 Cb 0.40 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1h6k h VAL 546 CO -0.10 0.32 -0.03 0.15 -1.23 0.00 0.00 177.57 176.68 1h6k h PHE 547 N 0.48 0.19 -0.27 5.19 3.57 -0.89 -2.77 116.94 122.44 1h6k h PHE 547 Ca 0.09 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1h6k h PHE 547 Cb 0.45 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1h6k h PHE 547 CO 0.02 0.52 -0.07 0.28 -2.23 0.00 0.00 178.31 176.83 1h6k h VAL 548 N -0.20 1.28 -0.58 1.41 2.07 -0.46 -0.48 116.25 119.28 1h6k h VAL 548 Ca 0.02 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1h6k h VAL 548 Cb 0.47 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1h6k h VAL 548 CO 0.01 0.35 0.28 1.56 0.02 0.00 0.00 177.57 179.78 1h6k h GLN 549 N 0.27 0.50 -0.05 1.57 1.08 -1.26 -0.90 115.11 116.33 1h6k h GLN 549 Ca 0.07 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1h6k h GLN 549 Cb 0.55 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1h6k h GLN 549 CO 0.03 0.33 -0.19 1.15 -0.95 0.00 0.00 178.83 179.20 1h6k h THR 550 N 0.52 1.45 -0.50 -0.54 2.02 -1.39 -0.94 112.91 113.53 1h6k h THR 550 Ca 0.27 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.83 1h6k h THR 550 Cb 0.23 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1h6k h THR 550 CO -0.21 0.45 0.33 0.25 0.37 0.00 0.00 175.52 176.71 1h6k h LEU 551 N -0.32 0.57 -0.08 2.58 5.85 -0.98 -1.48 115.31 121.44 1h6k h LEU 551 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1h6k h LEU 551 Cb 0.83 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1h6k h LEU 551 CO 0.04 0.41 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.44 1h6k h LEU 552 N 0.67 0.18 -1.12 2.25 3.38 -1.21 -2.38 115.31 117.09 1h6k h LEU 552 Ca 0.19 -0.42 0.13 0.00 0.09 0.00 0.00 57.88 57.87 1h6k h LEU 552 Cb -0.07 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1h6k h LEU 552 CO -0.04 0.57 0.61 -0.74 0.09 0.00 0.00 178.44 178.92 1h6k h HIS 553 N -0.20 1.01 0.00 1.13 2.76 -1.08 -0.55 115.15 118.22 1h6k h HIS 553 Ca 0.02 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.09 1h6k h HIS 553 Cb 0.50 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1h6k h HIS 553 CO 0.07 0.38 -0.62 -0.07 -1.30 0.00 0.00 177.93 176.39 1h6k h LEU 554 N 0.86 0.00 -3.37 0.26 3.38 -1.16 -3.03 115.31 112.26 1h6k h LEU 554 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1h6k h LEU 554 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1h6k h LEU 554 CO -0.25 0.62 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1h6k n ALA 555 N -2.29 3.52 0.37 1.53 0.00 -0.69 -4.56 120.51 118.39 1h6k n ALA 555 Ca 0.01 -1.78 0.04 0.00 0.00 0.00 0.00 53.44 51.71 1h6k n ALA 555 Cb 0.72 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 19.31 1h6k n ALA 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h6k n ALA 556 N 0.87 1.51 0.07 0.00 0.00 -0.30 -3.23 120.51 119.43 1h6k n ALA 556 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1h6k n ALA 556 Cb 1.06 -1.15 0.36 0.00 0.00 0.00 0.00 19.45 19.72 1h6k n ALA 556 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1h6k h LYS 557 N 0.00 0.34 -2.03 0.00 3.64 -1.85 -3.47 116.57 113.20 1h6k h LYS 557 Ca 0.00 -0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.51 1h6k h LYS 557 Cb 0.12 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.78 1h6k h LYS 557 CO 0.00 0.44 0.60 -1.54 -2.27 0.00 0.00 179.45 176.68 1h6k s SER 558 N -6.83 -0.18 0.20 4.20 1.04 -1.21 -5.00 113.70 105.93 1h6k s SER 558 Ca -0.06 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.04 1h6k s SER 558 Cb 0.15 0.36 0.16 0.00 0.10 0.00 0.00 66.02 66.79 1h6k s SER 558 CO 0.74 -0.64 1.87 -0.26 0.98 0.00 0.00 173.24 175.93 1h6k h PHE 559 N 2.00 0.88 -0.83 5.02 -1.00 -1.91 -1.55 116.94 119.56 1h6k h PHE 559 Ca -0.24 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.53 1h6k h PHE 559 Cb 1.22 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 40.45 1h6k h PHE 559 CO 0.33 0.54 0.39 0.77 -1.61 0.00 0.00 178.31 178.73 1h6k h SER 560 N 0.93 1.09 -0.34 2.17 0.02 -1.95 0.13 113.55 115.61 1h6k h SER 560 Ca 0.27 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1h6k h SER 560 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1h6k h SER 560 CO -0.07 0.93 -0.06 0.45 -1.14 0.00 0.00 176.83 176.93 1h6k h HIS 561 N 1.18 0.71 -0.56 3.45 3.86 -1.74 -1.60 115.15 120.45 1h6k h HIS 561 Ca 0.28 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1h6k h HIS 561 Cb 0.13 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1h6k h HIS 561 CO 0.01 0.79 0.26 0.77 0.86 0.00 0.00 177.93 180.62 1h6k h SER 562 N 0.42 0.74 -0.64 2.45 0.02 -0.90 0.82 113.55 116.46 1h6k h SER 562 Ca 0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1h6k h SER 562 Cb 0.55 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1h6k h SER 562 CO 0.03 0.68 0.34 -0.26 -1.14 0.00 0.00 176.83 176.47 1h6k h PHE 563 N 0.76 0.90 0.00 3.45 0.05 -0.68 -1.14 116.94 120.27 1h6k h PHE 563 Ca 0.19 -0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.82 1h6k h PHE 563 Cb 0.14 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.79 1h6k h PHE 563 CO 0.00 0.66 -0.61 0.66 -0.18 0.00 0.00 178.31 178.84 1h6k h SER 564 N 0.88 0.00 -0.43 2.17 4.64 -0.94 -1.12 113.55 118.75 1h6k h SER 564 Ca 0.22 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1h6k h SER 564 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1h6k h SER 564 CO -0.03 0.61 0.09 0.00 -0.87 0.00 0.00 176.83 176.62 1h6k h ALA 565 N 1.39 0.57 0.00 5.18 0.00 -0.39 0.16 119.26 126.17 1h6k h ALA 565 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1h6k h ALA 565 Cb 1.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1h6k h ALA 565 CO 0.08 0.27 -0.33 -0.07 0.00 0.00 0.00 179.25 179.21 1h6k h LEU 566 N 0.57 0.00 -0.16 0.00 3.38 -1.05 -2.48 115.31 115.57 1h6k h LEU 566 Ca 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 566 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1h6k h LEU 566 CO 0.01 0.33 -0.83 0.00 0.09 0.00 0.00 178.44 178.04 1h6k h ALA 567 N 1.67 0.31 -0.19 1.53 0.00 -0.44 -2.60 119.26 119.54 1h6k h ALA 567 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1h6k h ALA 567 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1h6k h ALA 567 CO 0.04 0.70 -0.22 0.87 0.00 0.00 0.00 179.25 180.65 1h6k h LYS 568 N 0.48 0.49 -0.84 0.00 1.57 -0.54 -3.27 116.57 114.46 1h6k h LYS 568 Ca -0.07 -0.27 -0.45 0.00 -1.87 0.00 0.00 60.65 58.00 1h6k h LYS 568 Cb 1.46 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.52 1h6k h LYS 568 CO 0.17 0.85 0.47 1.19 -0.57 0.00 0.00 179.45 181.55 1h6k n PHE 569 N -4.43 2.59 -0.16 -1.35 3.01 -0.95 -4.64 117.46 111.53 1h6k n PHE 569 Ca -0.05 -1.88 -0.03 0.00 1.01 0.00 0.00 57.45 56.49 1h6k n PHE 569 Cb 0.42 -0.86 0.03 0.00 -0.01 0.00 0.00 39.48 39.05 1h6k n PHE 569 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1h6k h HIS 570 N 1.08 -0.35 -0.42 1.38 2.76 -1.52 -2.26 115.15 115.82 1h6k h HIS 570 Ca 0.53 0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.84 1h6k h HIS 570 Cb 2.42 0.23 -0.09 0.00 1.55 0.00 0.00 27.41 31.52 1h6k h HIS 570 CO 1.44 -0.25 -0.28 0.93 -1.30 0.00 0.00 177.93 178.48 1h6k h GLU 571 N -0.04 -0.19 -0.90 5.26 5.08 -1.89 -0.64 114.58 121.26 1h6k h GLU 571 Ca 0.24 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.74 1h6k h GLU 571 Cb 0.40 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 1h6k h GLU 571 CO -0.53 -0.13 0.51 0.28 -1.00 0.00 0.00 179.01 178.14 1h6k h VAL 572 N -0.20 0.82 0.89 3.13 2.07 -1.78 0.94 116.25 122.12 1h6k h VAL 572 Ca 0.19 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1h6k h VAL 572 Cb 0.51 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1h6k h VAL 572 CO -0.54 0.14 -0.43 -0.26 0.02 0.00 0.00 177.57 176.50 1h6k h PHE 573 N 0.77 -1.11 -1.00 1.57 -1.00 -0.93 0.35 116.94 115.58 1h6k h PHE 573 Ca 0.47 -0.03 0.21 0.00 2.81 0.00 0.00 57.97 61.43 1h6k h PHE 573 Cb 0.57 0.37 -0.11 0.00 3.61 0.00 0.00 35.95 40.39 1h6k h PHE 573 CO -0.05 -0.69 0.61 0.87 -1.61 0.00 0.00 178.31 177.44 1h6k h LYS 574 N -1.31 0.67 -0.04 1.51 1.79 -0.65 0.49 116.57 119.03 1h6k h LYS 574 Ca -0.12 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.19 1h6k h LYS 574 Cb 0.92 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1h6k h LYS 574 CO 0.20 0.45 -0.43 1.15 -1.08 0.00 0.00 179.45 179.74 1h6k h THR 575 N 0.69 1.44 0.00 -0.16 2.02 -0.70 -2.92 112.91 113.27 1h6k h THR 575 Ca 0.60 -1.89 -0.09 0.00 0.77 0.00 0.00 66.41 65.80 1h6k h THR 575 Cb 1.02 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1h6k h THR 575 CO -0.41 0.54 -0.45 0.25 0.37 0.00 0.00 175.52 175.83 1h6k h LEU 576 N -0.15 0.00 -4.80 2.58 5.85 0.87 -3.31 115.31 116.35 1h6k h LEU 576 Ca -0.04 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.12 1h6k h LEU 576 Cb 1.11 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 41.73 1h6k h LEU 576 CO 0.09 0.45 -0.79 0.00 -0.34 0.00 0.00 178.44 177.85 1h6k n ALA 577 N -2.36 4.66 0.13 1.25 0.00 0.16 -4.73 120.51 119.62 1h6k n ALA 577 Ca -0.01 -4.22 0.03 0.00 0.00 0.00 0.00 53.44 49.24 1h6k n ALA 577 Cb 0.52 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1h6k n ALA 577 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1h6k h GLU 578 N 2.73 0.00 -6.91 0.00 4.81 -1.61 -3.38 114.58 110.22 1h6k h GLU 578 Ca 0.21 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.96 1h6k h GLU 578 Cb 0.87 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.29 1h6k h GLU 578 CO 0.79 0.44 0.06 -1.54 -0.73 0.00 0.00 179.01 178.03 1h6k s SER 579 N -6.34 5.83 0.23 1.04 1.04 -1.26 -4.97 113.70 109.27 1h6k s SER 579 Ca 0.03 0.60 -0.07 0.00 0.48 0.00 0.00 55.95 56.99 1h6k s SER 579 Cb 0.08 -1.77 0.21 0.00 0.10 0.00 0.00 66.02 64.64 1h6k s SER 579 CO 0.75 -0.82 1.88 0.44 0.98 0.00 0.00 173.24 176.48 1h6k h ASP 580 N 0.13 1.08 0.46 7.02 3.32 -1.98 -2.19 116.42 124.26 1h6k h ASP 580 Ca -0.46 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 1h6k h ASP 580 Cb 1.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1h6k h ASP 580 CO 0.60 0.82 -0.49 -0.33 -1.72 0.00 0.00 179.24 178.12 1h6k h GLU 581 N 1.24 0.04 -0.11 3.56 5.08 -1.96 -1.89 114.58 120.54 1h6k h GLU 581 Ca 0.32 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1h6k h GLU 581 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1h6k h GLU 581 CO -0.06 0.52 -0.00 0.78 -1.00 0.00 0.00 179.01 179.24 1h6k h GLY 582 N 1.44 0.21 0.75 -3.84 0.00 -1.76 -0.75 103.07 99.12 1h6k h GLY 582 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1h6k h GLY 582 CO 0.06 0.14 0.09 0.50 0.00 0.00 0.00 176.54 177.34 1h6k h LYS 583 N -0.09 0.21 -0.71 4.80 1.57 -1.21 0.29 116.57 121.42 1h6k h LYS 583 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1h6k h LYS 583 Cb 0.37 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1h6k h LYS 583 CO 0.01 0.14 0.42 -0.07 -0.57 0.00 0.00 179.45 179.37 1h6k h LEU 584 N 0.22 0.86 -0.50 2.94 3.38 -1.33 -1.94 115.31 118.94 1h6k h LEU 584 Ca 0.13 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 584 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1h6k h LEU 584 CO -0.14 0.67 -0.74 -0.74 0.09 0.00 0.00 178.44 177.58 1h6k h HIS 585 N 0.99 0.12 -0.68 1.13 2.76 -0.02 -0.46 115.15 118.99 1h6k h HIS 585 Ca 0.26 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1h6k h HIS 585 Cb -0.02 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 1h6k h HIS 585 CO 0.00 0.80 0.36 0.28 -1.30 0.00 0.00 177.93 178.07 1h6k h VAL 586 N 0.06 1.22 -0.49 5.26 2.07 0.01 -1.29 116.25 123.09 1h6k h VAL 586 Ca -0.02 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 1h6k h VAL 586 Cb 1.31 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1h6k h VAL 586 CO 0.10 0.24 -0.06 -0.07 0.02 0.00 0.00 177.57 177.81 1h6k h LEU 587 N 0.93 0.90 -0.50 2.57 3.38 -1.10 -1.53 115.31 119.95 1h6k h LEU 587 Ca 0.24 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1h6k h LEU 587 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1h6k h LEU 587 CO -0.04 1.02 0.08 -0.09 0.09 0.00 0.00 178.44 179.51 1h6k h ARG 588 N 0.76 0.83 -0.33 1.13 2.43 -0.93 -0.74 114.38 117.52 1h6k h ARG 588 Ca 0.13 -0.22 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1h6k h ARG 588 Cb 0.59 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1h6k h ARG 588 CO 0.04 0.82 -0.43 0.28 -1.51 0.00 0.00 179.97 179.17 1h6k h VAL 589 N 0.71 1.28 -0.73 0.20 2.07 -1.16 -1.52 116.25 117.10 1h6k h VAL 589 Ca 0.15 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.08 1h6k h VAL 589 Cb 0.39 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1h6k h VAL 589 CO 0.01 0.53 0.48 -0.03 0.02 0.00 0.00 177.57 178.58 1h6k h MET 590 N 0.68 0.94 -0.84 1.57 1.85 -1.13 -1.40 114.93 116.61 1h6k h MET 590 Ca 0.05 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 1h6k h MET 590 Cb 1.01 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 32.79 1h6k h MET 590 CO 0.10 0.62 0.38 0.35 -0.40 0.00 0.00 176.91 177.96 1h6k h PHE 591 N 0.97 1.23 0.00 1.39 3.57 -0.83 0.87 116.94 124.13 1h6k h PHE 591 Ca 0.27 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1h6k h PHE 591 Cb -0.08 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.27 1h6k h PHE 591 CO -0.03 0.90 -0.17 0.93 -2.23 0.00 0.00 178.31 177.71 1h6k h GLU 592 N 1.20 0.00 0.12 1.11 5.08 -0.52 0.46 114.58 122.02 1h6k h GLU 592 Ca 0.28 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 1h6k h GLU 592 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1h6k h GLU 592 CO -0.03 0.17 -1.06 0.28 -1.00 0.00 0.00 179.01 177.37 1h6k h VAL 593 N 0.00 1.29 -0.30 3.13 2.07 -0.64 -3.41 116.25 118.39 1h6k h VAL 593 Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1h6k h VAL 593 Cb 0.57 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1h6k h VAL 593 CO 0.02 0.69 0.00 0.79 0.02 0.00 0.00 177.57 179.09 1h6k n TRP 594 N -4.07 0.97 0.22 1.57 5.03 0.24 -1.24 117.44 120.15 1h6k n TRP 594 Ca -0.19 -0.82 0.18 0.00 3.03 0.00 0.00 57.50 59.69 1h6k n TRP 594 Cb 0.84 -0.29 0.85 0.00 -1.03 0.00 0.00 31.31 31.67 1h6k n TRP 594 CO 0.00 0.00 0.00 0.07 -0.03 0.00 0.00 177.69 177.73 1h6k h ARG 595 N 2.00 0.00 -0.00 -0.99 0.11 -1.13 0.11 114.38 114.48 1h6k h ARG 595 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1h6k h ARG 595 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 1h6k h ARG 595 CO 0.21 0.00 -0.05 0.09 0.10 0.00 0.00 179.97 180.32 1h6k n ASN 596 N -3.68 0.20 -3.31 0.08 3.02 -1.26 -4.42 115.26 105.89 1h6k n ASN 596 Ca 0.01 -0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 53.93 1h6k n ASN 596 Cb 0.33 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1h6k n ASN 596 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1h6k n HIS 597 N -1.13 0.90 -0.34 3.10 -0.00 0.39 -3.98 115.22 114.15 1h6k n HIS 597 Ca 0.15 -3.74 0.11 0.00 0.46 0.00 0.00 57.72 54.70 1h6k n HIS 597 Cb 0.25 -0.36 0.29 0.00 -0.12 0.00 0.00 29.99 30.04 1h6k n HIS 597 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1h6k h PRO 598 N 4.27 0.72 -0.75 1.57 0.11 -1.77 -0.59 132.00 135.55 1h6k h PRO 598 Ca 0.13 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.27 1h6k h PRO 598 Cb 0.81 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.70 1h6k h PRO 598 CO 0.57 0.48 0.43 0.37 -0.21 0.00 0.00 178.00 179.64 1h6k h GLN 599 N 0.74 0.76 -0.73 1.05 4.15 -1.94 0.13 115.11 119.28 1h6k h GLN 599 Ca 0.54 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.89 1h6k h GLN 599 Cb 0.81 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1h6k h GLN 599 CO -0.37 0.50 0.34 1.98 -1.93 0.00 0.00 178.83 179.34 1h6k h MET 600 N 0.78 1.06 -0.23 1.69 4.05 -1.48 -1.72 114.93 119.08 1h6k h MET 600 Ca 0.34 -0.16 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 1h6k h MET 600 Cb 0.23 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1h6k h MET 600 CO -0.20 0.84 0.08 0.82 0.23 0.00 0.00 176.91 178.68 1h6k h ILE 601 N 1.02 0.95 -0.36 1.77 2.04 -0.62 -0.97 117.51 121.35 1h6k h ILE 601 Ca 0.25 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 66.07 1h6k h ILE 601 Cb 0.14 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1h6k h ILE 601 CO -0.03 0.04 0.15 0.00 0.00 0.00 0.00 178.15 178.31 1h6k h ALA 602 N 1.14 0.43 -0.11 1.87 0.00 -0.38 -1.05 119.26 121.16 1h6k h ALA 602 Ca 0.10 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1h6k h ALA 602 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h6k h ALA 602 CO -0.10 -0.23 -0.55 -0.39 0.00 0.00 0.00 179.25 177.99 1h6k h VAL 603 N 0.32 1.35 -0.31 0.00 -1.51 -1.09 -1.85 116.25 113.16 1h6k h VAL 603 Ca 0.16 -1.83 -0.05 0.00 -1.23 0.00 0.00 66.70 63.74 1h6k h VAL 603 Cb 0.10 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1h6k h VAL 603 CO -0.13 0.55 0.01 -0.07 -1.23 0.00 0.00 177.57 176.69 1h6k h LEU 604 N 0.24 0.53 -0.56 4.19 3.38 -0.97 -1.21 115.31 120.91 1h6k h LEU 604 Ca 0.00 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1h6k h LEU 604 Cb 1.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1h6k h LEU 604 CO 0.09 0.70 0.37 0.58 0.09 0.00 0.00 178.44 180.27 1h6k h VAL 605 N 0.34 1.14 -0.46 1.22 2.07 -1.09 0.16 116.25 119.63 1h6k h VAL 605 Ca 0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1h6k h VAL 605 Cb 0.43 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1h6k h VAL 605 CO 0.01 0.14 0.29 -0.78 0.02 0.00 0.00 177.57 177.25 1h6k h ASP 606 N 0.76 0.54 -0.63 0.57 1.82 -1.23 -1.64 116.42 116.62 1h6k h ASP 606 Ca 0.21 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 1h6k h ASP 606 Cb -0.08 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 1h6k h ASP 606 CO -0.05 0.42 0.06 0.50 -1.61 0.00 0.00 179.24 178.56 1h6k h LYS 607 N 0.62 1.08 0.00 0.28 1.63 -0.73 -1.37 116.57 118.08 1h6k h LYS 607 Ca 0.17 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1h6k h LYS 607 Cb -0.03 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1h6k h LYS 607 CO -0.03 1.02 -0.13 0.52 -3.45 0.00 0.00 179.45 177.37 1h6k h MET 608 N 1.00 0.00 0.13 1.90 2.86 -0.34 -0.51 114.93 119.98 1h6k h MET 608 Ca 0.19 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.60 1h6k h MET 608 Cb 0.49 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1h6k h MET 608 CO 0.02 0.13 -1.10 0.82 1.06 0.00 0.00 176.91 177.84 1h6k h ILE 609 N 0.00 1.28 0.00 -1.22 2.04 -0.86 0.33 117.51 119.07 1h6k h ILE 609 Ca -0.00 -2.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.32 1h6k h ILE 609 Cb 0.45 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1h6k h ILE 609 CO 0.02 0.70 -0.32 0.03 0.00 0.00 0.00 178.15 178.58 1h6k h ARG 610 N -0.35 0.00 -0.34 2.37 3.08 -0.95 -2.29 114.38 115.90 1h6k h ARG 610 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1h6k h ARG 610 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1h6k h ARG 610 CO 0.10 0.32 0.00 0.25 -1.07 0.00 0.00 179.97 179.57 1h6k n THR 611 N -3.79 0.44 -1.52 2.04 -2.24 -0.23 -4.95 114.28 104.03 1h6k n THR 611 Ca -0.01 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1h6k n THR 611 Cb 0.41 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 1h6k n THR 611 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h6k n GLN 612 N 1.25 -0.95 0.01 -0.78 6.02 -0.86 -4.88 117.38 117.19 1h6k n GLN 612 Ca 0.19 0.92 -0.05 0.00 -0.01 0.00 0.00 57.00 58.05 1h6k n GLN 612 Cb 0.55 -5.01 0.16 0.00 1.02 0.00 0.00 30.24 26.96 1h6k n GLN 612 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1h6k h ILE 613 N 0.00 1.28 -4.02 5.09 2.04 -0.67 -3.45 117.51 117.78 1h6k h ILE 613 Ca -0.28 -1.41 -0.42 0.00 1.00 0.00 0.00 64.86 63.75 1h6k h ILE 613 Cb 0.93 1.46 -0.14 0.00 -0.74 0.00 0.00 36.82 38.33 1h6k h ILE 613 CO 0.40 0.44 -0.55 0.68 0.00 0.00 0.00 178.15 179.12 1h6k s VAL 614 N -4.37 0.29 0.39 1.67 -7.23 -0.42 -4.84 120.40 105.89 1h6k s VAL 614 Ca -0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1h6k s VAL 614 Cb 0.13 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 1h6k s VAL 614 CO 0.80 0.00 0.04 1.51 -0.31 0.00 0.00 175.10 177.14 1h6k s ASP 615 N -3.38 3.25 0.33 4.85 1.47 -1.26 -4.28 116.67 117.65 1h6k s ASP 615 Ca 0.36 -1.42 0.01 0.00 1.18 0.00 0.00 52.55 52.68 1h6k s ASP 615 Cb 0.05 -0.13 0.58 0.00 -0.34 0.00 0.00 42.92 43.07 1h6k s ASP 615 CO 0.18 -0.58 1.98 0.00 0.68 0.00 0.00 175.17 177.44 1h6k h ALA 617 N 1.55 0.74 -0.65 0.00 0.00 -1.96 -0.71 119.26 118.24 1h6k h ALA 617 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h6k h ALA 617 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1h6k h ALA 617 CO -0.05 0.22 0.40 0.00 0.00 0.00 0.00 179.25 179.82 1h6k h ALA 618 N 1.18 0.83 -0.62 0.00 0.00 -1.83 -1.54 119.26 117.29 1h6k h ALA 618 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1h6k h ALA 618 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1h6k h ALA 618 CO -0.04 0.30 0.23 0.28 0.00 0.00 0.00 179.25 180.02 1h6k h VAL 619 N 0.88 1.24 -0.43 0.00 2.07 -1.11 0.14 116.25 119.04 1h6k h VAL 619 Ca 0.23 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1h6k h VAL 619 Cb -0.04 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1h6k h VAL 619 CO -0.05 0.29 0.26 0.00 0.02 0.00 0.00 177.57 178.10 1h6k h ALA 620 N 1.09 0.54 -0.66 1.67 0.00 -0.84 0.15 119.26 121.22 1h6k h ALA 620 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1h6k h ALA 620 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1h6k h ALA 620 CO -0.01 0.03 0.12 -0.91 0.00 0.00 0.00 179.25 178.48 1h6k h ASN 621 N 0.56 1.03 -0.73 0.00 2.35 -0.98 -2.41 115.58 115.41 1h6k h ASN 621 Ca 0.15 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1h6k h ASN 621 Cb -0.00 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.04 1h6k h ASN 621 CO -0.03 1.03 0.44 -0.25 -1.65 0.00 0.00 177.43 176.96 1h6k h TRP 622 N 1.00 0.81 -0.96 1.19 7.01 -0.25 -2.06 115.95 122.70 1h6k h TRP 622 Ca 0.20 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.38 1h6k h TRP 622 Cb 0.43 -0.26 -0.10 0.00 -2.10 0.00 0.00 29.16 27.13 1h6k h TRP 622 CO 0.03 0.42 0.56 0.82 -2.79 0.00 0.00 178.44 177.48 1h6k h ILE 623 N 0.82 0.77 -0.46 2.65 1.08 -0.19 -0.84 117.51 121.33 1h6k h ILE 623 Ca 0.31 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1h6k h ILE 623 Cb 0.13 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1h6k h ILE 623 CO -0.15 0.14 0.00 0.49 -0.69 0.00 0.00 178.15 177.94 1h6k n PHE 624 N -4.76 0.62 -1.53 1.37 3.01 -0.83 -4.82 117.46 110.52 1h6k n PHE 624 Ca 0.20 -0.31 -0.31 0.00 1.01 0.00 0.00 57.45 58.05 1h6k n PHE 624 Cb 0.47 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.00 1h6k n PHE 624 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1h6k s SER 625 N -1.13 5.11 0.44 4.37 1.04 -0.32 -4.95 113.70 118.26 1h6k s SER 625 Ca 0.35 1.59 0.18 0.00 0.48 0.00 0.00 55.95 58.55 1h6k s SER 625 Cb 0.19 -2.42 1.03 0.00 0.10 0.00 0.00 66.02 64.91 1h6k s SER 625 CO 0.25 -1.61 1.95 0.77 0.98 0.00 0.00 173.24 175.57 1h6k h SER 626 N -0.84 0.00 0.65 7.02 4.64 -1.92 -2.08 113.55 121.02 1h6k h SER 626 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1h6k h SER 626 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1h6k h SER 626 CO 0.56 0.24 0.00 -0.33 -0.87 0.00 0.00 176.83 176.43 1h6k h GLU 627 N 0.00 0.00 -0.08 4.77 3.07 -1.92 -2.32 114.58 118.10 1h6k h GLU 627 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1h6k h GLU 627 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1h6k h GLU 627 CO 0.03 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.92 1h6k n LEU 628 N -2.79 2.56 -0.34 1.33 4.32 -0.79 -4.61 117.00 116.68 1h6k n LEU 628 Ca 0.00 -1.10 0.11 0.00 -0.02 0.00 0.00 56.01 54.99 1h6k n LEU 628 Cb 0.21 -0.04 0.28 0.00 -1.62 0.00 0.00 43.42 42.26 1h6k n LEU 628 CO 0.22 0.48 1.17 0.28 -1.22 0.00 0.00 177.39 178.32 1h6k h SER 629 N 3.40 0.74 1.12 -1.43 0.02 -1.34 0.32 113.55 116.38 1h6k h SER 629 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1h6k h SER 629 Cb 0.74 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1h6k h SER 629 CO 0.00 0.29 0.00 0.54 -1.14 0.00 0.00 176.83 176.52 1h6k n ARG 630 N -4.77 0.17 -0.02 3.45 1.74 -1.26 -2.96 116.66 113.00 1h6k n ARG 630 Ca 0.21 0.22 0.03 0.00 -0.77 0.00 0.00 57.85 57.54 1h6k n ARG 630 Cb 0.50 -1.73 0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1h6k n ARG 630 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1h6k n ASP 631 N -2.03 1.69 -0.31 0.55 8.00 0.12 -4.74 116.55 119.83 1h6k n ASP 631 Ca 0.05 -1.41 0.19 0.00 0.71 0.00 0.00 54.79 54.33 1h6k n ASP 631 Cb 0.34 -0.03 0.46 0.00 -0.02 0.00 0.00 41.12 41.87 1h6k n ASP 631 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1h6k h PHE 632 N 1.01 0.74 -0.01 1.24 3.57 -0.38 -0.35 116.94 122.76 1h6k h PHE 632 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h6k h PHE 632 Cb 0.32 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1h6k h PHE 632 CO 0.03 0.13 -0.13 0.25 -2.23 0.00 0.00 178.31 176.35 1h6k n THR 633 N -4.64 0.00 -2.60 4.41 -2.24 -1.26 -4.84 114.28 103.12 1h6k n THR 633 Ca 0.23 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 1h6k n THR 633 Cb 0.75 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1h6k n THR 633 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1h6k s ARG 634 N -2.36 4.08 0.27 -0.78 0.52 -0.14 -4.96 118.95 115.57 1h6k s ARG 634 Ca 0.30 1.40 -0.01 0.00 -0.52 0.00 0.00 55.73 56.90 1h6k s ARG 634 Cb 0.20 -2.36 0.55 0.00 0.52 0.00 0.00 34.95 33.86 1h6k s ARG 634 CO 0.46 -0.19 1.75 -0.07 0.02 0.00 0.00 175.30 177.27 1h6k h LEU 635 N 2.15 0.49 -1.60 2.53 4.07 -1.90 -2.93 115.31 118.13 1h6k h LEU 635 Ca -0.49 0.10 0.02 0.00 0.08 0.00 0.00 57.88 57.59 1h6k h LEU 635 Cb 1.21 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 1h6k h LEU 635 CO 0.61 0.19 0.29 2.19 -1.08 0.00 0.00 178.44 180.64 1h6k h PHE 636 N 0.59 0.51 -0.29 1.13 -0.00 -1.92 0.06 116.94 117.01 1h6k h PHE 636 Ca 0.47 0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.47 1h6k h PHE 636 Cb 0.70 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 36.45 1h6k h PHE 636 CO -0.10 0.31 0.14 0.28 -0.00 0.00 0.00 178.31 178.94 1h6k h VAL 637 N 0.55 0.98 -0.02 0.88 2.07 -1.80 0.53 116.25 119.44 1h6k h VAL 637 Ca 0.17 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.44 1h6k h VAL 637 Cb 0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1h6k h VAL 637 CO -0.04 0.05 -0.68 -0.50 0.02 0.00 0.00 177.57 176.42 1h6k h TRP 638 N 0.29 0.11 -0.53 1.57 4.06 -1.40 -0.96 115.95 119.09 1h6k h TRP 638 Ca 0.12 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1h6k h TRP 638 Cb 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1h6k h TRP 638 CO -0.10 0.74 0.30 0.93 -3.56 0.00 0.00 178.44 176.75 1h6k h GLU 639 N 0.06 0.74 -0.16 0.49 5.08 -0.59 -0.05 114.58 120.14 1h6k h GLU 639 Ca -0.01 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1h6k h GLU 639 Cb 1.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1h6k h GLU 639 CO 0.10 0.56 -0.03 0.82 -1.00 0.00 0.00 179.01 179.46 1h6k h ILE 640 N 0.71 1.28 -0.35 3.13 2.04 -0.56 -0.98 117.51 122.78 1h6k h ILE 640 Ca 0.19 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1h6k h ILE 640 Cb 0.03 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1h6k h ILE 640 CO -0.03 0.29 0.10 0.25 0.00 0.00 0.00 178.15 178.75 1h6k h LEU 641 N 0.02 0.07 -0.88 1.44 5.85 -1.02 -0.34 115.31 120.45 1h6k h LEU 641 Ca 0.04 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1h6k h LEU 641 Cb 0.45 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1h6k h LEU 641 CO 0.01 0.07 -0.36 0.45 -0.34 0.00 0.00 178.44 178.28 1h6k h HIS 642 N 0.23 0.44 -0.27 1.25 3.86 -0.95 -0.42 115.15 119.29 1h6k h HIS 642 Ca 0.16 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1h6k h HIS 642 Cb 0.17 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1h6k h HIS 642 CO -0.17 0.70 -0.09 1.03 0.86 0.00 0.00 177.93 180.26 1h6k h SER 643 N 0.32 0.42 -0.21 2.45 0.87 -0.74 -0.65 113.55 116.00 1h6k h SER 643 Ca 0.04 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1h6k h SER 643 Cb 0.79 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1h6k h SER 643 CO 0.06 0.56 -0.04 0.74 -0.53 0.00 0.00 176.83 177.62 1h6k h THR 644 N 0.42 1.28 -0.46 2.23 2.02 -0.18 -1.93 112.91 116.29 1h6k h THR 644 Ca 0.08 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1h6k h THR 644 Cb 0.42 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1h6k h THR 644 CO 0.02 0.31 0.22 0.40 0.37 0.00 0.00 175.52 176.84 1h6k h ILE 645 N 0.14 1.19 -0.50 3.11 2.04 -0.84 -2.31 117.51 120.33 1h6k h ILE 645 Ca 0.06 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.44 1h6k h ILE 645 Cb 0.49 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1h6k h ILE 645 CO 0.02 0.21 0.21 0.03 0.00 0.00 0.00 178.15 178.61 1h6k h ARG 646 N 0.60 0.39 -0.25 2.37 3.08 -1.04 0.36 114.38 119.89 1h6k h ARG 646 Ca 0.16 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1h6k h ARG 646 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1h6k h ARG 646 CO -0.02 0.26 0.09 0.87 -1.07 0.00 0.00 179.97 180.10 1h6k h LYS 647 N 0.41 0.20 -0.25 0.04 1.57 -1.15 0.13 116.57 117.52 1h6k h LYS 647 Ca 0.24 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1h6k h LYS 647 Cb 0.22 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1h6k h LYS 647 CO -0.21 0.13 -0.07 1.98 -0.57 0.00 0.00 179.45 180.71 1h6k h MET 648 N 0.20 -0.01 -0.27 3.15 4.05 -0.73 0.17 114.93 121.49 1h6k h MET 648 Ca 0.11 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1h6k h MET 648 Cb 0.07 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1h6k h MET 648 CO -0.11 -0.01 0.05 -0.91 0.23 0.00 0.00 176.91 176.16 1h6k h ASN 649 N -0.01 0.01 -0.10 1.39 -0.26 0.21 -1.96 115.58 114.86 1h6k h ASN 649 Ca 0.12 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1h6k h ASN 649 Cb 0.20 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1h6k h ASN 649 CO -0.26 0.04 -0.09 0.11 -1.06 0.00 0.00 177.43 176.16 1h6k h LYS 650 N 0.15 0.40 -0.43 0.81 1.57 -0.34 -2.16 116.57 116.57 1h6k h LYS 650 Ca 0.13 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1h6k h LYS 650 Cb 0.13 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1h6k h LYS 650 CO -0.17 0.51 0.26 1.25 -0.57 0.00 0.00 179.45 180.73 1h6k h HIS 651 N 0.38 0.49 -0.82 -1.35 2.76 -0.06 -0.75 115.15 115.80 1h6k h HIS 651 Ca 0.08 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1h6k h HIS 651 Cb 0.41 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 1h6k h HIS 651 CO 0.01 0.29 0.48 0.28 -1.30 0.00 0.00 177.93 177.69 1h6k h VAL 652 N 0.53 1.23 -0.58 5.26 2.07 -0.82 -2.54 116.25 121.40 1h6k h VAL 652 Ca 0.17 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1h6k h VAL 652 Cb -0.00 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1h6k h VAL 652 CO -0.07 0.25 0.27 -0.07 0.02 0.00 0.00 177.57 177.96 1h6k h LEU 653 N 1.13 0.77 0.03 2.57 3.38 -1.01 -1.14 115.31 121.04 1h6k h LEU 653 Ca 0.29 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1h6k h LEU 653 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1h6k h LEU 653 CO -0.05 0.70 -0.20 0.50 0.09 0.00 0.00 178.44 179.48 1h6k h LYS 654 N 0.79 -0.32 -0.52 1.13 3.64 -0.86 0.05 116.57 120.47 1h6k h LYS 654 Ca 0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1h6k h LYS 654 Cb 0.14 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1h6k h LYS 654 CO -0.02 -0.22 0.17 0.82 -2.27 0.00 0.00 179.45 177.94 1h6k h ILE 655 N -0.34 1.23 -0.83 2.00 2.04 -1.37 -1.99 117.51 118.25 1h6k h ILE 655 Ca 0.05 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1h6k h ILE 655 Cb 0.39 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1h6k h ILE 655 CO -0.16 0.28 0.54 1.56 0.00 0.00 0.00 178.15 180.37 1h6k h GLN 656 N 0.72 0.74 -0.07 2.37 4.20 -0.94 -0.96 115.11 121.16 1h6k h GLN 656 Ca 0.17 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1h6k h GLN 656 Cb 0.26 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1h6k h GLN 656 CO -0.01 0.49 -0.46 -0.22 -0.67 0.00 0.00 178.83 177.97 1h6k h LYS 657 N 0.76 0.16 0.11 1.46 3.64 -0.27 -2.06 116.57 120.37 1h6k h LYS 657 Ca 0.39 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1h6k h LYS 657 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1h6k h LYS 657 CO -0.16 0.59 -0.05 0.93 -2.27 0.00 0.00 179.45 178.49 1h6k h GLU 658 N 0.13 -0.14 -0.89 1.90 5.08 -0.68 -0.13 114.58 119.86 1h6k h GLU 658 Ca 0.01 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.61 1h6k h GLU 658 Cb 0.86 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1h6k h GLU 658 CO 0.07 0.32 0.61 1.25 -1.00 0.00 0.00 179.01 180.26 1h6k h LEU 659 N -0.67 0.22 0.08 1.33 5.85 -1.20 0.19 115.31 121.10 1h6k h LEU 659 Ca -0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1h6k h LEU 659 Cb 0.52 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1h6k h LEU 659 CO 0.02 0.08 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.09 1h6k h GLU 660 N 0.21 -0.10 0.00 1.25 4.81 -1.24 -2.10 114.58 117.40 1h6k h GLU 660 Ca 0.45 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1h6k h GLU 660 Cb 1.42 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1h6k h GLU 660 CO -0.10 0.44 -0.03 0.93 -0.73 0.00 0.00 179.01 179.51 1h6k h GLU 661 N -0.88 0.00 0.00 1.92 5.08 0.04 0.22 114.58 120.96 1h6k h GLU 661 Ca -0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1h6k h GLU 661 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1h6k h GLU 661 CO 0.02 0.03 -1.43 0.00 -1.00 0.00 0.00 179.01 176.63 1h6k h ALA 662 N 1.97 0.68 0.00 3.43 0.00 -0.75 -3.30 119.26 121.29 1h6k h ALA 662 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1h6k h ALA 662 Cb 0.12 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h6k h ALA 662 CO 0.00 1.20 -0.41 -0.22 0.00 0.00 0.00 179.25 179.82 1h6k h LYS 663 N 0.00 0.00 0.00 0.00 3.64 -0.49 -3.19 116.57 116.53 1h6k h LYS 663 Ca -0.19 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1h6k h LYS 663 Cb 1.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 1h6k h LYS 663 CO 0.07 0.00 -0.37 0.93 -2.27 0.00 0.00 179.45 177.81 1h6k h GLU 664 N 0.00 0.00 0.00 1.90 5.08 -0.72 -3.50 114.58 117.34 1h6k h GLU 664 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h6k h GLU 664 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1h6k h GLU 664 CO 0.00 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 179.94 1h6k n LYS 665 N -3.15 0.00 -0.27 2.33 5.02 -1.21 -5.10 118.16 115.79 1h6k n LYS 665 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1h6k n LYS 665 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1h6k n LYS 665 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1h6k n LEU 688 N 0.00 -0.34 0.00 -0.35 -0.00 -1.26 -5.13 117.00 109.92 1h6k n LEU 688 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1h6k n LEU 688 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1h6k n LEU 688 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.55 1h6k n GLU 689 N -0.24 0.00 0.00 1.47 -0.00 -1.26 -4.89 120.64 115.72 1h6k n GLU 689 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1h6k n GLU 689 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.52 1h6k n GLU 689 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1h6k n GLU 690 N 0.00 0.00 -0.03 3.44 2.13 -1.26 0.44 120.64 125.36 1h6k n GLU 690 Ca 0.00 0.13 -0.05 0.00 0.66 0.00 0.00 57.16 57.90 1h6k n GLU 690 Cb 0.00 -1.66 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 1h6k n GLU 690 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1h6k n GLN 691 N -1.02 0.30 0.16 5.31 3.00 -1.26 -4.27 117.38 119.59 1h6k n GLN 691 Ca 0.00 0.12 0.05 0.00 -0.01 0.00 0.00 57.00 57.15 1h6k n GLN 691 Cb 0.16 -1.01 0.49 0.00 0.00 0.00 0.00 30.24 29.88 1h6k n GLN 691 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1h6k h ILE 692 N -0.56 1.11 -0.13 5.09 6.09 -1.53 -0.31 117.51 127.27 1h6k h ILE 692 Ca 0.00 -0.45 -0.20 0.00 -1.37 0.00 0.00 64.86 62.84 1h6k h ILE 692 Cb 0.56 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1h6k h ILE 692 CO 0.00 0.14 -0.74 -0.08 -3.07 0.00 0.00 178.15 174.41 1h6k h GLU 693 N 0.17 0.63 0.00 2.19 4.81 -0.29 -3.02 114.58 119.06 1h6k h GLU 693 Ca 0.04 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1h6k h GLU 693 Cb 0.20 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1h6k h GLU 693 CO 0.01 1.12 -0.22 0.00 -0.73 0.00 0.00 179.01 179.19 1h6k h ARG 694 N 0.43 0.00 -0.08 1.92 2.47 -1.48 -3.17 114.38 114.47 1h6k h ARG 694 Ca -0.04 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 1h6k h ARG 694 Cb 1.34 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.67 1h6k h ARG 694 CO 0.14 0.22 -0.86 -0.07 0.56 0.00 0.00 179.97 179.96 1h6k h LEU 695 N 0.00 0.79 -2.11 3.04 3.38 -1.03 -2.20 115.31 117.18 1h6k h LEU 695 Ca -0.00 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1h6k h LEU 695 Cb 0.99 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1h6k h LEU 695 CO 0.03 1.35 -0.04 1.56 0.09 0.00 0.00 178.44 181.43 1h6k h GLN 696 N 0.41 0.00 -0.08 1.13 4.20 -1.51 0.13 115.11 119.40 1h6k h GLN 696 Ca -0.07 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 1h6k h GLN 696 Cb 1.49 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.28 1h6k h GLN 696 CO 0.17 0.04 -0.68 1.49 -0.67 0.00 0.00 178.83 179.18 1h6k h GLU 697 N 0.00 0.59 0.00 1.46 4.81 -1.53 -2.68 114.58 117.23 1h6k h GLU 697 Ca -0.00 -0.54 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 1h6k h GLU 697 Cb 0.08 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1h6k h GLU 697 CO 0.01 1.16 -0.45 -0.22 -0.73 0.00 0.00 179.01 178.77 1h6k h LYS 698 N 0.21 0.00 -0.15 1.92 3.64 -0.59 -2.49 116.57 119.12 1h6k h LYS 698 Ca -0.06 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1h6k h LYS 698 Cb 1.33 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1h6k h LYS 698 CO 0.14 0.45 -0.16 0.28 -2.27 0.00 0.00 179.45 177.89 1h6k h VAL 699 N 0.00 1.35 -0.53 2.00 2.07 -0.80 -1.73 116.25 118.62 1h6k h VAL 699 Ca -0.00 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1h6k h VAL 699 Cb 0.81 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1h6k h VAL 699 CO 0.06 0.39 0.14 1.05 0.02 0.00 0.00 177.57 179.23 1h6k h GLU 700 N -0.01 0.79 -0.35 1.57 4.11 -1.36 0.49 114.58 119.82 1h6k h GLU 700 Ca 0.02 -0.15 -0.15 0.00 0.07 0.00 0.00 59.36 59.15 1h6k h GLU 700 Cb 0.70 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1h6k h GLU 700 CO 0.04 0.70 -0.38 0.66 0.07 0.00 0.00 179.01 180.11 1h6k h SER 701 N 0.77 0.93 -0.39 3.06 4.64 -1.43 0.31 113.55 121.44 1h6k h SER 701 Ca 0.17 -0.48 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1h6k h SER 701 Cb 0.26 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1h6k h SER 701 CO -0.01 1.22 0.09 0.00 -0.87 0.00 0.00 176.83 177.26 1h6k h ALA 702 N 0.74 0.51 -0.77 5.18 0.00 -0.77 0.41 119.26 124.56 1h6k h ALA 702 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1h6k h ALA 702 Cb 0.97 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1h6k h ALA 702 CO 0.09 0.19 0.51 1.96 0.00 0.00 0.00 179.25 182.00 1h6k h GLN 703 N 0.48 0.98 -0.29 0.00 4.20 0.03 -0.15 115.11 120.36 1h6k h GLN 703 Ca 0.12 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1h6k h GLN 703 Cb 0.32 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1h6k h GLN 703 CO 0.00 0.65 -0.08 0.77 -0.67 0.00 0.00 178.83 179.50 1h6k h SER 704 N 1.01 0.56 -0.46 1.46 0.02 -0.30 0.12 113.55 115.96 1h6k h SER 704 Ca 0.29 -0.37 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1h6k h SER 704 Cb -0.06 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.25 1h6k h SER 704 CO -0.07 0.81 0.05 -0.33 -1.14 0.00 0.00 176.83 176.14 1h6k h GLU 705 N 0.32 0.16 0.19 3.45 5.08 0.52 0.16 114.58 124.46 1h6k h GLU 705 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1h6k h GLU 705 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1h6k h GLU 705 CO 0.03 0.11 -0.09 0.37 -1.00 0.00 0.00 179.01 178.43 1h6k h GLN 706 N 0.17 -0.25 -0.70 2.33 4.15 -0.91 -0.45 115.11 119.46 1h6k h GLN 706 Ca 0.23 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.70 1h6k h GLN 706 Cb 0.32 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 1h6k h GLN 706 CO -0.34 -0.04 0.44 -0.22 -1.93 0.00 0.00 178.83 176.74 1h6k h LYS 707 N -0.42 0.82 0.00 1.69 3.64 -0.44 -2.35 116.57 119.51 1h6k h LYS 707 Ca -0.03 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1h6k h LYS 707 Cb 0.32 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1h6k h LYS 707 CO 0.04 0.54 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.51 1h6k h ASN 708 N 0.85 0.00 -0.29 4.20 -0.26 -0.60 -0.73 115.58 118.75 1h6k h ASN 708 Ca 0.28 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 1h6k h ASN 708 Cb 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1h6k h ASN 708 CO -0.11 0.35 -0.00 0.25 -1.06 0.00 0.00 177.43 176.85 1h6k h LEU 709 N 0.00 0.50 -0.81 1.61 5.85 -0.57 -0.87 115.31 121.02 1h6k h LEU 709 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1h6k h LEU 709 Cb 0.88 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1h6k h LEU 709 CO 0.05 0.69 0.42 -0.26 -0.34 0.00 0.00 178.44 179.00 1h6k h PHE 710 N 0.30 1.13 -0.84 1.25 -1.00 -1.03 -1.04 116.94 115.71 1h6k h PHE 710 Ca 0.08 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1h6k h PHE 710 Cb 0.44 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 1h6k h PHE 710 CO 0.04 0.80 0.43 -0.07 -1.61 0.00 0.00 178.31 177.90 1h6k h LEU 711 N 1.13 1.07 -0.47 1.54 4.07 -0.94 0.57 115.31 122.27 1h6k h LEU 711 Ca 0.28 -0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.07 1h6k h LEU 711 Cb 0.06 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1h6k h LEU 711 CO -0.04 0.88 0.05 0.58 -1.08 0.00 0.00 178.44 178.83 1h6k h VAL 712 N 1.19 1.25 -0.24 1.22 2.07 -0.77 0.65 116.25 121.62 1h6k h VAL 712 Ca 0.29 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1h6k h VAL 712 Cb 0.07 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1h6k h VAL 712 CO -0.04 0.34 0.11 0.40 0.02 0.00 0.00 177.57 178.39 1h6k h ILE 713 N 0.66 1.16 -0.42 4.57 2.04 -0.70 -1.25 117.51 123.58 1h6k h ILE 713 Ca 0.14 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1h6k h ILE 713 Cb 0.42 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1h6k h ILE 713 CO 0.01 0.16 0.20 -0.26 0.00 0.00 0.00 178.15 178.26 1h6k h PHE 714 N 0.25 0.61 -0.45 1.37 0.04 -0.76 -1.30 116.94 116.70 1h6k h PHE 714 Ca 0.08 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1h6k h PHE 714 Cb 0.15 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 1h6k h PHE 714 CO -0.02 0.50 0.18 0.37 -0.60 0.00 0.00 178.31 178.74 1h6k h GLN 715 N 0.54 0.35 -0.75 1.51 -0.00 -0.73 0.22 115.11 116.24 1h6k h GLN 715 Ca 0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1h6k h GLN 715 Cb 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.49 1h6k h GLN 715 CO -0.02 0.23 0.44 0.00 0.00 0.00 0.00 178.83 179.48 1h6k h ARG 716 N 0.36 1.04 -0.36 1.69 2.47 -0.87 -0.18 114.38 118.53 1h6k h ARG 716 Ca 0.21 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1h6k h ARG 716 Cb 0.19 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1h6k h ARG 716 CO -0.20 0.75 0.13 0.74 0.56 0.00 0.00 179.97 181.95 1h6k h PHE 717 N 1.04 0.56 -0.67 3.04 0.04 -0.75 -1.06 116.94 119.15 1h6k h PHE 717 Ca 0.27 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1h6k h PHE 717 Cb -0.01 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1h6k h PHE 717 CO -0.01 0.53 0.36 0.82 -0.60 0.00 0.00 178.31 179.42 1h6k h ILE 718 N 0.43 1.21 0.48 -0.55 2.04 -0.66 -1.06 117.51 119.41 1h6k h ILE 718 Ca 0.12 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1h6k h ILE 718 Cb 0.22 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1h6k h ILE 718 CO -0.01 0.24 -0.23 -0.03 0.00 0.00 0.00 178.15 178.12 1h6k h MET 719 N 0.92 -0.62 -0.51 2.37 4.05 -0.78 -0.38 114.93 119.97 1h6k h MET 719 Ca 0.23 0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.61 1h6k h MET 719 Cb 0.05 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1h6k h MET 719 CO -0.04 -0.38 -0.01 -0.84 0.23 0.00 0.00 176.91 175.87 1h6k h ILE 720 N -0.72 1.25 -0.48 1.77 3.07 -1.14 -1.80 117.51 119.46 1h6k h ILE 720 Ca -0.07 -1.08 -0.13 0.00 1.55 0.00 0.00 64.86 65.14 1h6k h ILE 720 Cb 0.53 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1h6k h ILE 720 CO 0.11 0.38 -0.19 -0.07 -1.05 0.00 0.00 178.15 177.33 1h6k h LEU 721 N 0.81 1.01 0.35 0.16 3.38 -1.19 -2.20 115.31 117.63 1h6k h LEU 721 Ca 0.15 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1h6k h LEU 721 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1h6k h LEU 721 CO 0.03 1.17 -0.29 0.74 0.09 0.00 0.00 178.44 180.17 1h6k h THR 722 N 0.84 0.38 -0.80 0.22 2.02 -0.82 -0.41 112.91 114.35 1h6k h THR 722 Ca 0.11 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.48 1h6k h THR 722 Cb 0.77 0.38 -0.13 0.00 -1.74 0.00 0.00 68.15 67.44 1h6k h THR 722 CO 0.06 0.00 0.17 -0.08 0.37 0.00 0.00 175.52 176.05 1h6k h GLU 723 N -0.65 0.22 -0.64 6.66 4.81 -1.25 0.27 114.58 124.00 1h6k h GLU 723 Ca -0.02 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1h6k h GLU 723 Cb 0.58 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1h6k h GLU 723 CO -0.03 0.14 0.22 1.25 -0.73 0.00 0.00 179.01 179.87 1h6k h HIS 724 N 0.22 1.00 -0.37 0.92 2.76 -0.80 -0.94 115.15 117.94 1h6k h HIS 724 Ca 0.47 -0.09 -0.15 0.00 -2.20 0.00 0.00 60.37 58.40 1h6k h HIS 724 Cb 0.86 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 1h6k h HIS 724 CO -0.29 0.81 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.72 1h6k h LEU 725 N 0.91 0.92 -0.41 0.26 3.38 0.86 -1.08 115.31 120.15 1h6k h LEU 725 Ca 0.21 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1h6k h LEU 725 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h6k h LEU 725 CO -0.01 1.18 -0.17 0.58 0.09 0.00 0.00 178.44 180.10 1h6k h VAL 726 N 0.72 1.28 -0.25 1.22 2.07 -0.53 -2.89 116.25 117.87 1h6k h VAL 726 Ca 0.07 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1h6k h VAL 726 Cb 0.93 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1h6k h VAL 726 CO 0.09 0.44 0.04 -0.09 0.02 0.00 0.00 177.57 178.07 1h6k h ARG 727 N 0.65 0.42 -0.31 1.57 2.43 -1.10 -1.34 114.38 116.70 1h6k h ARG 727 Ca 0.09 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1h6k h ARG 727 Cb 0.73 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1h6k h ARG 727 CO 0.06 0.55 0.09 0.00 -1.51 0.00 0.00 179.97 179.15 1h6k h GLU 729 N 0.44 -0.10 -1.24 0.00 4.81 -1.41 0.60 114.58 117.68 1h6k h GLU 729 Ca 0.11 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.70 1h6k h GLU 729 Cb 0.15 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1h6k h GLU 729 CO -0.01 0.38 0.86 1.15 -0.73 0.00 0.00 179.01 180.66 1h6k h THR 730 N -0.94 0.37 -0.10 0.32 2.02 -1.12 0.40 112.91 113.85 1h6k h THR 730 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1h6k h THR 730 Cb 0.53 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1h6k h THR 730 CO 0.02 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.40 1h6k n ASP 731 N -4.33 2.65 -2.36 4.18 9.92 -0.52 -4.97 116.55 121.12 1h6k n ASP 731 Ca 0.29 -1.79 -0.15 0.00 -0.53 0.00 0.00 54.79 52.60 1h6k n ASP 731 Cb 1.24 -0.06 -0.01 0.00 -0.64 0.00 0.00 41.12 41.66 1h6k n ASP 731 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h6k n GLY 732 N 1.03 -0.37 3.95 0.44 0.00 0.14 -4.95 105.19 105.42 1h6k n GLY 732 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1h6k n GLY 732 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h6k s THR 733 N -2.74 4.91 0.31 2.61 2.01 0.19 -4.99 115.64 117.95 1h6k s THR 733 Ca 0.00 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1h6k s THR 733 Cb 0.00 -3.79 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1h6k s THR 733 CO 0.00 -0.50 1.54 -0.94 -0.69 0.00 0.00 174.62 174.04 1h6k s SER 734 N -4.06 6.39 -0.03 3.53 1.04 -1.26 -4.57 113.70 114.75 1h6k s SER 734 Ca 0.41 2.95 -0.10 0.00 0.48 0.00 0.00 55.95 59.70 1h6k s SER 734 Cb -0.10 -2.64 -0.31 0.00 0.10 0.00 0.00 66.02 63.07 1h6k s SER 734 CO 0.36 -0.88 0.76 0.58 0.98 0.00 0.00 173.24 175.04 1h6k h VAL 735 N 3.27 1.03 -0.25 5.02 2.07 -1.96 -3.41 116.25 122.03 1h6k h VAL 735 Ca -0.48 -2.61 -0.70 0.00 0.82 0.00 0.00 66.70 63.73 1h6k h VAL 735 Cb 1.23 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.74 1h6k h VAL 735 CO 0.74 0.84 2.88 0.18 0.02 0.00 0.00 177.57 182.23 1h6k n LEU 736 N -3.57 6.37 -4.97 2.57 4.77 -1.26 -4.69 117.00 116.22 1h6k n LEU 736 Ca -0.22 -4.09 -0.21 0.00 -0.03 0.00 0.00 56.01 51.45 1h6k n LEU 736 Cb 1.07 -1.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.47 1h6k n LEU 736 CO 0.52 0.87 0.08 0.42 -1.33 0.00 0.00 177.39 177.95 1h6k s THR 737 N 3.41 4.77 0.36 -5.08 -4.23 -1.26 -4.94 115.64 108.67 1h6k s THR 737 Ca 0.49 -0.79 0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1h6k s THR 737 Cb 0.11 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.58 1h6k s THR 737 CO -0.04 -0.35 1.86 1.55 -0.54 0.00 0.00 174.62 177.10 1h6k h PRO 738 N 0.90 0.65 -0.35 3.99 0.13 -1.92 -0.23 132.00 135.17 1h6k h PRO 738 Ca -0.49 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1h6k h PRO 738 Cb 1.24 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1h6k h PRO 738 CO 0.59 0.43 0.18 2.35 -0.23 0.00 0.00 178.00 181.32 1h6k h TRP 739 N 0.66 0.48 -0.60 1.56 7.01 -1.94 -2.13 115.95 121.00 1h6k h TRP 739 Ca 0.46 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.42 1h6k h TRP 739 Cb 0.79 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 1h6k h TRP 739 CO -0.00 0.39 0.29 -0.92 -2.79 0.00 0.00 178.44 175.41 1h6k h TYR 740 N 0.43 0.86 -0.49 2.65 3.20 -1.47 -0.92 116.97 121.23 1h6k h TYR 740 Ca 0.12 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1h6k h TYR 740 Cb 0.08 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 1h6k h TYR 740 CO -0.02 0.66 0.13 -0.22 -1.64 0.00 0.00 178.16 177.06 1h6k h LYS 741 N 0.82 0.27 -0.00 1.82 3.64 -0.82 0.24 116.57 122.52 1h6k h LYS 741 Ca 0.21 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1h6k h LYS 741 Cb 0.12 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1h6k h LYS 741 CO -0.03 0.18 0.00 -0.97 -2.27 0.00 0.00 179.45 176.36 1h6k h ASN 742 N 0.27 0.00 -0.01 4.20 -1.24 -0.94 -2.16 115.58 115.71 1h6k h ASN 742 Ca 0.25 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1h6k h ASN 742 Cb 0.31 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1h6k h ASN 742 CO -0.30 0.10 0.00 0.00 -1.29 0.00 0.00 177.43 175.95 1h6k h ILE 744 N -0.01 1.24 0.00 0.00 6.09 -1.02 -1.98 117.51 121.83 1h6k h ILE 744 Ca 0.00 -1.08 -0.07 0.00 -1.37 0.00 0.00 64.86 62.34 1h6k h ILE 744 Cb 0.02 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 1h6k h ILE 744 CO -0.00 0.35 -0.34 -0.33 -3.07 0.00 0.00 178.15 174.76 1h6k h GLU 745 N 0.49 0.00 -0.03 2.19 5.08 -0.94 -1.51 114.58 119.86 1h6k h GLU 745 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1h6k h GLU 745 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1h6k h GLU 745 CO 0.03 0.34 -0.80 0.00 -1.00 0.00 0.00 179.01 177.58 1h6k h ARG 746 N 0.00 0.28 -0.04 2.33 2.47 -0.28 0.18 114.38 119.32 1h6k h ARG 746 Ca -0.00 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1h6k h ARG 746 Cb 1.15 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1h6k h ARG 746 CO 0.04 0.94 0.01 1.25 0.56 0.00 0.00 179.97 182.78 1h6k h LEU 747 N 0.18 0.05 -0.80 3.04 5.85 -1.20 -2.07 115.31 120.36 1h6k h LEU 747 Ca -0.04 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1h6k h LEU 747 Cb 1.39 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.33 1h6k h LEU 747 CO 0.13 0.20 0.42 -0.61 -0.34 0.00 0.00 178.44 178.24 1h6k h GLN 748 N -0.10 0.65 -0.95 1.25 4.15 -1.14 -2.12 115.11 116.85 1h6k h GLN 748 Ca 0.01 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1h6k h GLN 748 Cb 0.16 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 1h6k h GLN 748 CO -0.00 0.43 0.62 0.37 -1.93 0.00 0.00 178.83 178.32 1h6k h GLN 749 N 0.67 1.14 -0.32 1.69 4.15 -0.60 -1.39 115.11 120.44 1h6k h GLN 749 Ca 0.40 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.81 1h6k h GLN 749 Cb 0.47 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1h6k h GLN 749 CO -0.30 0.75 0.01 0.82 -1.93 0.00 0.00 178.83 178.19 1h6k h ILE 750 N 1.17 0.78 -0.63 2.39 1.08 -0.68 0.16 117.51 121.77 1h6k h ILE 750 Ca 0.38 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.80 1h6k h ILE 750 Cb 0.05 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1h6k h ILE 750 CO -0.13 0.02 0.33 -0.26 -0.69 0.00 0.00 178.15 177.42 1h6k h PHE 751 N 0.11 0.89 -0.25 1.37 0.04 -1.37 -2.48 116.94 115.25 1h6k h PHE 751 Ca 0.15 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 1h6k h PHE 751 Cb 0.20 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1h6k h PHE 751 CO -0.22 0.65 -0.05 -0.07 -0.60 0.00 0.00 178.31 178.03 1h6k h LEU 752 N 0.86 0.47 -0.94 1.54 3.38 -0.74 -1.46 115.31 118.43 1h6k h LEU 752 Ca 0.22 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1h6k h LEU 752 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1h6k h LEU 752 CO -0.03 0.71 -0.37 -0.61 0.09 0.00 0.00 178.44 178.23 1h6k h GLN 753 N 0.21 0.00 -0.26 1.13 4.15 -0.68 -3.32 115.11 116.35 1h6k h GLN 753 Ca 0.06 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 1h6k h GLN 753 Cb 0.50 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 27.89 1h6k h GLN 753 CO 0.02 0.37 -0.87 0.72 -1.93 0.00 0.00 178.83 177.15 1h6k n HIS 754 N -3.54 0.87 -0.23 3.99 8.25 -0.94 -4.90 115.22 118.72 1h6k n HIS 754 Ca -0.00 -1.51 0.03 0.00 -0.26 0.00 0.00 57.72 55.98 1h6k n HIS 754 Cb 0.51 -0.24 0.15 0.00 1.12 0.00 0.00 29.99 31.53 1h6k n HIS 754 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1h6k h HIS 755 N 1.62 0.42 -0.67 4.41 2.07 -1.36 -0.80 115.15 120.84 1h6k h HIS 755 Ca -0.02 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.50 1h6k h HIS 755 Cb 1.44 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 31.30 1h6k h HIS 755 CO 0.55 0.06 0.27 0.37 -3.07 0.00 0.00 177.93 176.11 1h6k h GLN 756 N 0.40 0.97 -0.10 5.12 5.75 -1.90 0.78 115.11 126.14 1h6k h GLN 756 Ca 0.37 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 1h6k h GLN 756 Cb 0.53 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1h6k h GLN 756 CO -0.38 0.79 -0.28 0.82 -2.65 0.00 0.00 178.83 177.13 1h6k h ILE 757 N 0.96 1.40 -0.06 2.39 2.04 -1.76 -3.27 117.51 119.21 1h6k h ILE 757 Ca 0.23 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1h6k h ILE 757 Cb 0.17 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1h6k h ILE 757 CO -0.02 0.47 -0.28 0.40 0.00 0.00 0.00 178.15 178.72 1h6k h ILE 758 N -0.10 1.23 -0.08 -0.67 2.04 -0.90 -1.43 117.51 117.61 1h6k h ILE 758 Ca -0.01 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 64.81 1h6k h ILE 758 Cb 0.89 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1h6k h ILE 758 CO 0.06 0.31 0.15 1.56 0.00 0.00 0.00 178.15 180.24 1h6k h GLN 759 N 0.09 0.00 0.00 2.37 4.20 -0.90 0.41 115.11 121.29 1h6k h GLN 759 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1h6k h GLN 759 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1h6k h GLN 759 CO 0.04 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.24 1h6k n GLN 760 N -3.40 0.22 -0.40 1.46 6.02 -0.54 -3.41 117.38 117.33 1h6k n GLN 760 Ca -0.01 0.37 0.08 0.00 -0.01 0.00 0.00 57.00 57.43 1h6k n GLN 760 Cb 0.24 -1.87 0.25 0.00 1.02 0.00 0.00 30.24 29.89 1h6k n GLN 760 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1h6k n TYR 761 N -2.27 0.94 -0.07 1.08 0.53 0.14 -4.77 117.16 112.74 1h6k n TYR 761 Ca 0.03 -0.66 -0.07 0.00 -1.02 0.00 0.00 57.90 56.18 1h6k n TYR 761 Cb 0.29 -0.19 -0.00 0.00 -1.03 0.00 0.00 39.34 38.41 1h6k n TYR 761 CO 0.00 0.00 0.00 0.52 -1.02 0.00 0.00 176.86 176.36 1h6k h MET 762 N 2.58 -0.10 -0.11 -0.72 2.86 -1.61 -0.68 114.93 117.15 1h6k h MET 762 Ca 0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1h6k h MET 762 Cb 1.19 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1h6k h MET 762 CO 0.15 -0.06 0.07 0.28 1.06 0.00 0.00 176.91 178.40 1h6k h VAL 763 N -0.10 1.07 -0.61 -2.22 2.07 -1.90 -0.22 116.25 114.34 1h6k h VAL 763 Ca 0.15 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1h6k h VAL 763 Cb 0.33 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1h6k h VAL 763 CO -0.36 0.06 0.32 0.74 0.02 0.00 0.00 177.57 178.35 1h6k h THR 764 N 0.11 0.96 -0.72 2.57 2.02 -1.85 -1.06 112.91 114.94 1h6k h THR 764 Ca 0.04 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1h6k h THR 764 Cb 0.04 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1h6k h THR 764 CO -0.01 0.11 0.19 -0.07 0.37 0.00 0.00 175.52 176.11 1h6k h LEU 765 N 0.61 1.08 -0.37 2.58 3.38 -0.71 0.18 115.31 122.06 1h6k h LEU 765 Ca 0.27 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1h6k h LEU 765 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1h6k h LEU 765 CO -0.18 1.02 -0.31 -0.33 0.09 0.00 0.00 178.44 178.74 1h6k h GLU 766 N 1.08 0.86 0.00 1.13 5.08 -0.72 0.32 114.58 122.34 1h6k h GLU 766 Ca 0.23 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1h6k h GLU 766 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1h6k h GLU 766 CO -0.00 1.08 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.77 1h6k h ASN 767 N 0.66 0.00 0.00 1.42 2.35 -1.07 -3.35 115.58 115.60 1h6k h ASN 767 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1h6k h ASN 767 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1h6k h ASN 767 CO 0.08 0.28 -0.87 0.18 -1.65 0.00 0.00 177.43 175.45 1h6k n LEU 768 N -3.12 0.00 0.07 1.61 4.77 0.04 -4.95 117.00 115.41 1h6k n LEU 768 Ca 0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1h6k n LEU 768 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1h6k n LEU 768 CO 0.38 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.62 1h6k n LEU 769 N -1.33 0.71 -4.19 2.23 4.77 -0.73 -4.89 117.00 113.57 1h6k n LEU 769 Ca 0.00 0.21 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 1h6k n LEU 769 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1h6k n LEU 769 CO 0.00 -0.74 1.38 0.49 -1.33 0.00 0.00 177.39 177.18 1h6k n PHE 770 N -3.40 4.00 -2.89 -1.77 3.01 0.10 -4.95 117.46 111.57 1h6k n PHE 770 Ca 0.00 -3.18 -0.21 0.00 1.01 0.00 0.00 57.45 55.06 1h6k n PHE 770 Cb 0.00 -1.86 0.02 0.00 -0.01 0.00 0.00 39.48 37.63 1h6k n PHE 770 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1h6k s THR 771 N -0.13 3.38 0.42 4.37 -4.23 -1.26 -4.45 115.64 113.73 1h6k s THR 771 Ca 0.37 -0.66 0.15 0.00 -1.18 0.00 0.00 61.69 60.38 1h6k s THR 771 Cb 0.00 -3.24 0.35 0.00 1.34 0.00 0.00 72.50 70.96 1h6k s THR 771 CO 0.00 -0.15 1.91 0.00 -0.54 0.00 0.00 174.62 175.85 1h6k h ALA 772 N 0.33 2.08 0.00 3.99 0.00 -1.94 -1.09 119.26 122.62 1h6k h ALA 772 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h6k h ALA 772 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1h6k h ALA 772 CO 0.54 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.89 1h6k n GLU 773 N -4.49 0.96 -2.50 0.00 -0.58 -1.26 -4.84 120.64 107.93 1h6k n GLU 773 Ca 0.15 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.51 1h6k n GLU 773 Cb 0.52 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1h6k n GLU 773 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1h6k s LEU 774 N -1.96 4.24 0.20 -4.62 0.20 -0.42 -4.95 118.68 111.38 1h6k s LEU 774 Ca 0.44 2.12 -0.32 0.00 0.69 0.00 0.00 54.13 57.06 1h6k s LEU 774 Cb 0.20 -4.04 -0.14 0.00 -0.43 0.00 0.00 46.19 41.78 1h6k s LEU 774 CO 0.34 -0.43 1.35 -0.67 -0.29 0.00 0.00 176.35 176.64 1h6k n ASP 775 N 0.23 2.30 0.20 3.68 -0.08 -1.26 -4.69 116.55 116.93 1h6k n ASP 775 Ca 0.04 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.63 1h6k n ASP 775 Cb 0.48 -1.35 0.82 0.00 2.34 0.00 0.00 41.12 43.41 1h6k n ASP 775 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1h6k h PRO 776 N 4.15 0.00 -0.51 -0.67 0.13 -1.93 -0.57 132.00 132.59 1h6k h PRO 776 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1h6k h PRO 776 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1h6k h PRO 776 CO 0.75 0.00 0.17 0.45 -0.23 0.00 0.00 178.00 179.15 1h6k h HIS 777 N 0.00 0.81 0.09 1.56 3.86 -2.00 0.06 115.15 119.53 1h6k h HIS 777 Ca 0.10 -0.08 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1h6k h HIS 777 Cb 0.67 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.92 1h6k h HIS 777 CO 0.00 0.69 -0.61 0.82 0.86 0.00 0.00 177.93 179.69 1h6k h ILE 778 N 0.69 1.56 -0.64 2.45 2.04 -1.61 -3.33 117.51 118.67 1h6k h ILE 778 Ca 0.17 -2.42 0.02 0.00 1.00 0.00 0.00 64.86 63.62 1h6k h ILE 778 Cb 0.25 3.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.45 1h6k h ILE 778 CO -0.01 0.68 0.42 0.25 0.00 0.00 0.00 178.15 179.49 1h6k h LEU 779 N -0.47 0.70 -1.54 1.44 7.12 -1.16 -2.09 115.31 119.32 1h6k h LEU 779 Ca -0.10 -0.01 0.10 0.00 0.13 0.00 0.00 57.88 57.99 1h6k h LEU 779 Cb 1.45 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.37 1h6k h LEU 779 CO 0.12 0.50 0.44 0.00 -0.13 0.00 0.00 178.44 179.37 1h6k h ALA 780 N 1.61 1.93 -0.26 1.25 0.00 -1.09 -0.56 119.26 122.15 1h6k h ALA 780 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1h6k h ALA 780 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h6k h ALA 780 CO -0.06 -0.07 0.03 0.28 0.00 0.00 0.00 179.25 179.43 1h6k h VAL 781 N 0.52 1.24 -0.70 0.00 2.07 -1.52 0.89 116.25 118.74 1h6k h VAL 781 Ca 0.31 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1h6k h VAL 781 Cb 0.51 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1h6k h VAL 781 CO -0.10 0.26 0.33 0.15 0.02 0.00 0.00 177.57 178.24 1h6k h PHE 782 N 0.23 1.00 -0.28 1.57 3.57 -1.42 -0.85 116.94 120.76 1h6k h PHE 782 Ca 0.08 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1h6k h PHE 782 Cb 0.36 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1h6k h PHE 782 CO 0.03 0.73 -0.37 1.96 -2.23 0.00 0.00 178.31 178.42 1h6k h GLN 783 N 1.00 0.64 -0.64 1.11 4.20 -0.78 -1.06 115.11 119.57 1h6k h GLN 783 Ca 0.24 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1h6k h GLN 783 Cb 0.11 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1h6k h GLN 783 CO -0.03 0.91 0.15 1.96 -0.67 0.00 0.00 178.83 181.15 1h6k h GLN 784 N 0.53 1.03 -0.54 1.46 4.20 -0.36 -1.87 115.11 119.55 1h6k h GLN 784 Ca 0.05 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1h6k h GLN 784 Cb 0.88 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1h6k h GLN 784 CO 0.08 0.93 0.32 0.35 -0.67 0.00 0.00 178.83 179.84 1h6k h PHE 785 N 0.95 0.72 -0.69 2.96 3.57 -0.81 -2.36 116.94 121.29 1h6k h PHE 785 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1h6k h PHE 785 Cb 0.36 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1h6k h PHE 785 CO 0.03 0.50 0.38 0.00 -2.23 0.00 0.00 178.31 176.98 1h6k n ALA 787 N -2.43 1.38 0.27 0.00 0.00 -0.73 -2.40 120.51 116.59 1h6k n ALA 787 Ca 0.07 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1h6k n ALA 787 Cb 0.10 -1.26 0.73 0.00 0.00 0.00 0.00 19.45 19.02 1h6k n ALA 787 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h6k h LEU 788 N 0.00 0.00 -1.79 0.00 3.38 -1.34 -3.15 115.31 112.41 1h6k h LEU 788 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h6k h LEU 788 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h6k h LEU 788 CO 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 178.44 178.59 1h6k n GLN 789 N -3.35 1.01 0.00 1.13 1.13 -1.04 -4.26 117.38 112.00 1h6k n GLN 789 Ca -0.01 -0.94 0.14 0.00 -1.94 0.00 0.00 57.00 54.26 1h6k n GLN 789 Cb 0.27 -0.70 0.85 0.00 0.11 0.00 0.00 30.24 30.77 1h6k n GLN 789 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62