#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 1.30 0.00 3.84 1.03 -2.05 -2.04 112.91 114.98 1h6k h THR 27 Ca 0.00 -2.51 -0.00 0.00 -0.01 0.00 0.00 66.41 63.89 1h6k h THR 27 Cb 0.00 3.00 -0.00 0.00 -1.07 0.00 0.00 68.15 70.08 1h6k h THR 27 CO 0.00 0.73 -0.00 -0.33 -0.01 0.00 0.00 175.52 175.90 1h6k h GLU 28 N -0.28 0.00 0.14 0.00 5.08 -2.01 -2.40 114.58 115.12 1h6k h GLU 28 Ca -0.22 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.84 1h6k h GLU 28 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1h6k h GLU 28 CO 0.13 0.00 -1.43 0.22 -1.00 0.00 0.00 179.01 176.93 1h6k h ASP 29 N 0.00 0.46 0.51 1.42 1.82 -2.00 -3.13 116.42 115.49 1h6k h ASP 29 Ca -0.00 -0.56 -0.18 0.00 -0.39 0.00 0.00 57.03 55.89 1h6k h ASP 29 Cb 0.49 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1h6k h ASP 29 CO 0.00 1.46 -0.79 -0.74 -1.61 0.00 0.00 179.24 177.55 1h6k h HIS 30 N 0.08 0.31 -0.62 0.28 2.76 -1.07 -2.86 115.15 114.03 1h6k h HIS 30 Ca -0.21 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 57.71 1h6k h HIS 30 Cb 2.02 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.92 1h6k h HIS 30 CO 0.07 0.92 0.00 -0.07 -1.30 0.00 0.00 177.93 177.55 1h6k h LEU 31 N 0.13 1.06 -0.42 0.26 4.07 -1.54 -1.58 115.31 117.29 1h6k h LEU 31 Ca -0.03 -0.31 0.01 0.00 0.08 0.00 0.00 57.88 57.64 1h6k h LEU 31 Cb 1.38 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 1h6k h LEU 31 CO 0.12 1.11 0.26 -0.08 -1.08 0.00 0.00 178.44 178.77 1h6k h GLU 32 N 0.99 0.51 -0.30 1.13 4.81 -1.48 -1.27 114.58 118.96 1h6k h GLU 32 Ca 0.17 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1h6k h GLU 32 Cb 0.56 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1h6k h GLU 32 CO 0.03 0.34 0.17 1.03 -0.73 0.00 0.00 179.01 179.84 1h6k h SER 33 N 0.52 0.26 -0.94 1.04 0.87 -1.25 0.12 113.55 114.18 1h6k h SER 33 Ca 0.17 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1h6k h SER 33 Cb -0.01 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1h6k h SER 33 CO -0.07 0.20 0.62 -0.07 -0.53 0.00 0.00 176.83 176.98 1h6k h LEU 34 N 0.34 1.04 -0.07 2.23 3.38 -0.91 -1.33 115.31 120.00 1h6k h LEU 34 Ca 0.12 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1h6k h LEU 34 Cb 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1h6k h LEU 34 CO -0.06 0.73 -0.29 0.40 0.09 0.00 0.00 178.44 179.30 1h6k h ILE 35 N 1.22 1.42 -0.46 1.22 2.04 -0.77 -2.51 117.51 119.67 1h6k h ILE 35 Ca 0.37 -1.69 0.01 0.00 1.00 0.00 0.00 64.86 64.55 1h6k h ILE 35 Cb -0.04 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1h6k h ILE 35 CO -0.11 0.48 0.31 0.00 0.00 0.00 0.00 178.15 178.83 1h6k n LYS 37 N -4.47 0.98 -1.96 0.00 5.02 -0.51 -4.92 118.16 112.29 1h6k n LYS 37 Ca 0.04 -0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 1h6k n LYS 37 Cb 0.06 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1h6k n LYS 37 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h6k s VAL 38 N -2.52 2.58 0.00 -0.18 0.11 -0.95 -1.93 120.40 117.51 1h6k s VAL 38 Ca 0.20 0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1h6k s VAL 38 Cb 0.18 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 1h6k s VAL 38 CO 0.57 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 1h6k n GLY 39 N 2.55 1.81 3.78 6.54 0.00 -1.26 -5.04 105.19 113.56 1h6k n GLY 39 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.55 -0.39 1.61 2.02 -0.81 -4.89 118.70 115.88 1h6k s GLU 40 Ca 0.00 0.07 -0.45 0.00 0.02 0.00 0.00 54.97 54.62 1h6k s GLU 40 Cb 0.00 -1.79 -0.19 0.00 0.10 0.00 0.00 34.13 32.25 1h6k s GLU 40 CO 0.00 -2.55 1.57 0.36 0.02 0.00 0.00 175.26 174.66 1h6k n LYS 41 N -3.97 0.28 -3.85 1.61 2.85 -1.26 -4.94 118.16 108.87 1h6k n LYS 41 Ca 0.10 0.10 -0.11 0.00 -1.05 0.00 0.00 58.31 57.35 1h6k n LYS 41 Cb 0.59 -1.64 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 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 2.76 0.01 0.30 -5.58 0.15 -1.26 -5.01 113.70 105.07 1h6k s SER 42 Ca 1.02 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.53 1h6k s SER 42 Cb -1.37 0.24 0.45 0.00 -1.71 0.00 0.00 66.02 63.63 1h6k s SER 42 CO 0.75 -0.45 1.67 0.00 1.20 0.00 0.00 173.24 176.42 1h6k h ALA 43 N 3.93 1.09 -1.97 5.45 0.00 -2.05 -3.45 119.26 122.27 1h6k h ALA 43 Ca -0.31 -0.49 -0.45 0.00 0.00 0.00 0.00 54.91 53.66 1h6k h ALA 43 Cb 1.19 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1h6k h ALA 43 CO 0.43 0.67 -0.17 0.00 0.00 0.00 0.00 179.25 180.19 1h6k s SER 45 N -4.22 5.22 0.16 0.00 1.04 -1.26 -4.89 113.70 109.75 1h6k s SER 45 Ca 0.48 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.55 1h6k s SER 45 Cb -0.10 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.54 1h6k s SER 45 CO 0.36 -1.55 1.77 0.25 0.98 0.00 0.00 173.24 175.05 1h6k h LEU 46 N -0.40 0.61 -0.16 2.42 5.85 -1.96 -0.95 115.31 120.72 1h6k h LEU 46 Ca -0.45 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.23 1h6k h LEU 46 Cb 1.22 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1h6k h LEU 46 CO 0.55 0.52 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.67 1h6k h GLU 47 N 0.65 -0.19 -0.45 1.25 3.07 -1.95 0.17 114.58 117.13 1h6k h GLU 47 Ca 0.17 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1h6k h GLU 47 Cb 0.04 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1h6k h GLU 47 CO -0.03 -0.13 0.28 1.03 -1.40 0.00 0.00 179.01 178.76 1h6k h SER 48 N -0.20 0.45 -0.38 1.42 0.87 -1.87 -1.48 113.55 112.36 1h6k h SER 48 Ca 0.11 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1h6k h SER 48 Cb 0.36 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1h6k h SER 48 CO -0.28 0.32 -0.06 0.78 -0.53 0.00 0.00 176.83 177.07 1h6k h ASN 49 N 0.55 0.78 0.04 6.23 -0.26 -0.62 -0.73 115.58 121.58 1h6k h ASN 49 Ca 0.18 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1h6k h ASN 49 Cb -0.00 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 1h6k h ASN 49 CO -0.07 0.88 -0.02 -0.07 -1.06 0.00 0.00 177.43 177.09 1h6k h LEU 50 N 0.74 -0.05 -0.55 1.61 3.38 -0.32 0.29 115.31 120.42 1h6k h LEU 50 Ca 0.13 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1h6k h LEU 50 Cb 0.53 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1h6k h LEU 50 CO 0.03 0.11 0.35 -0.08 0.09 0.00 0.00 178.44 178.95 1h6k h GLU 51 N -0.20 0.70 -0.21 1.13 4.57 -1.15 0.20 114.58 119.62 1h6k h GLU 51 Ca -0.01 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1h6k h GLU 51 Cb 0.18 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1h6k h GLU 51 CO 0.01 0.46 0.03 0.78 -1.18 0.00 0.00 179.01 179.11 1h6k h GLY 52 N 0.72 0.22 1.36 1.92 0.00 -0.94 -1.41 103.07 104.95 1h6k h GLY 52 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1h6k h GLY 52 CO -0.06 -0.01 0.18 -2.00 0.00 0.00 0.00 176.54 174.65 1h6k h LEU 53 N 0.11 0.75 -0.56 3.11 5.85 0.30 -1.31 115.31 123.55 1h6k h LEU 53 Ca 0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1h6k h LEU 53 Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1h6k h LEU 53 CO -0.14 0.70 0.32 0.00 -0.34 0.00 0.00 178.44 178.99 1h6k h ALA 54 N 1.41 0.72 -0.28 1.25 0.00 -0.20 0.11 119.26 122.26 1h6k h ALA 54 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1h6k h ALA 54 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1h6k h ALA 54 CO -0.01 0.22 0.12 0.78 0.00 0.00 0.00 179.25 180.36 1h6k h GLY 55 N 0.76 0.36 0.95 0.00 0.00 -0.57 -0.36 103.07 104.22 1h6k h GLY 55 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1h6k h GLY 55 CO -0.03 0.06 0.17 -2.08 0.00 0.00 0.00 176.54 174.65 1h6k h VAL 56 N 0.26 1.21 -0.50 4.60 2.07 -0.94 -2.12 116.25 120.83 1h6k h VAL 56 Ca 0.12 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1h6k h VAL 56 Cb 0.06 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1h6k h VAL 56 CO -0.10 0.24 -0.03 -0.07 0.02 0.00 0.00 177.57 177.62 1h6k h LEU 57 N 0.57 0.84 -0.22 2.57 3.38 -0.79 -2.97 115.31 118.68 1h6k h LEU 57 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 57 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1h6k h LEU 57 CO -0.01 0.92 0.08 -0.08 0.09 0.00 0.00 178.44 179.44 1h6k h GLU 58 N 0.80 0.34 0.00 1.13 4.81 -0.85 -2.38 114.58 118.41 1h6k h GLU 58 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1h6k h GLU 58 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1h6k h GLU 58 CO 0.03 0.40 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1h6k n ALA 59 N -2.25 1.12 -0.13 2.92 0.00 -0.82 -1.38 120.51 119.96 1h6k n ALA 59 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1h6k n ALA 59 Cb 0.14 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.45 2.39 -0.09 0.00 8.00 -0.91 -4.70 116.55 119.78 1h6k n ASP 60 Ca 0.00 -2.07 -0.12 0.00 0.71 0.00 0.00 54.79 53.31 1h6k n ASP 60 Cb 0.02 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 0.75 0.61 -1.54 0.64 3.38 -1.07 0.34 115.31 118.41 1h6k h LEU 61 Ca 0.00 -0.42 0.23 0.00 0.09 0.00 0.00 57.88 57.78 1h6k h LEU 61 Cb 0.63 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1h6k h LEU 61 CO 0.01 0.90 0.63 1.55 0.09 0.00 0.00 178.44 181.61 1h6k h PRO 62 N 0.32 0.34 0.00 1.13 0.13 -1.84 -0.80 132.00 131.29 1h6k h PRO 62 Ca 0.06 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.92 1h6k h PRO 62 Cb 0.68 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 1h6k h PRO 62 CO 0.04 0.22 -1.93 0.09 -0.23 0.00 0.00 178.00 176.20 1h6k n ASN 63 N -4.50 2.05 -0.35 1.44 5.03 -1.20 -4.75 115.26 112.97 1h6k n ASN 63 Ca 0.21 -0.03 0.08 0.00 0.87 0.00 0.00 54.58 55.71 1h6k n ASN 63 Cb 0.79 0.47 0.16 0.00 -1.02 0.00 0.00 39.78 40.18 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 -2.66 0.00 -0.23 3.10 4.01 0.12 -4.76 117.16 116.74 1h6k n TYR 64 Ca -0.24 -1.17 0.03 0.00 -0.16 0.00 0.00 57.90 56.35 1h6k n TYR 64 Cb 0.89 -0.19 0.15 0.00 -0.31 0.00 0.00 39.34 39.88 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 0.46 0.32 -0.16 -0.72 3.64 -1.22 0.14 116.57 119.03 1h6k h LYS 65 Ca -0.01 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1h6k h LYS 65 Cb 1.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1h6k h LYS 65 CO 0.00 0.21 0.02 1.03 -2.27 0.00 0.00 179.45 178.45 1h6k h SER 66 N 0.33 -0.01 -0.28 4.20 0.87 -1.86 0.45 113.55 117.25 1h6k h SER 66 Ca 0.36 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1h6k h SER 66 Cb 0.56 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1h6k h SER 66 CO -0.42 0.02 0.00 0.50 -0.53 0.00 0.00 176.83 176.41 1h6k h LYS 67 N 0.09 0.49 -0.90 2.24 1.63 -1.76 -2.29 116.57 116.07 1h6k h LYS 67 Ca 0.07 -0.16 0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1h6k h LYS 67 Cb 0.07 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 1h6k h LYS 67 CO -0.10 0.64 0.59 0.82 -3.45 0.00 0.00 179.45 177.95 1h6k h ILE 68 N 0.28 1.15 -0.70 2.00 2.04 -0.50 0.94 117.51 122.73 1h6k h ILE 68 Ca 0.08 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1h6k h ILE 68 Cb 0.42 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1h6k h ILE 68 CO 0.01 0.20 0.27 -0.07 0.00 0.00 0.00 178.15 178.57 1h6k h LEU 69 N 1.12 0.95 0.00 1.44 3.38 -0.74 -2.09 115.31 119.37 1h6k h LEU 69 Ca 0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1h6k h LEU 69 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1h6k h LEU 69 CO -0.11 0.85 -0.00 0.03 0.09 0.00 0.00 178.44 179.30 1h6k h ARG 70 N 1.01 -0.00 -0.81 1.13 3.08 -0.46 -2.14 114.38 116.19 1h6k h ARG 70 Ca 0.23 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.36 1h6k h ARG 70 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1h6k h ARG 70 CO -0.02 0.42 0.48 -0.07 -1.07 0.00 0.00 179.97 179.71 1h6k h LEU 71 N -0.43 0.71 -0.41 3.04 3.38 -0.80 0.07 115.31 120.87 1h6k h LEU 71 Ca -0.00 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1h6k h LEU 71 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1h6k h LEU 71 CO 0.00 0.43 -0.25 -0.07 0.09 0.00 0.00 178.44 178.64 1h6k h LEU 72 N 0.83 0.94 -1.32 1.67 3.38 -1.37 -1.68 115.31 117.76 1h6k h LEU 72 Ca 0.37 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1h6k h LEU 72 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1h6k h LEU 72 CO -0.21 1.16 0.06 0.00 0.09 0.00 0.00 178.44 179.54 1h6k h THR 74 N 0.51 1.30 0.00 0.00 2.02 -0.57 -2.26 112.91 113.90 1h6k h THR 74 Ca 0.12 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1h6k h THR 74 Cb 0.23 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1h6k h THR 74 CO -0.00 0.28 -0.24 -0.37 0.37 0.00 0.00 175.52 175.56 1h6k h VAL 75 N -0.14 0.85 0.00 3.16 -1.51 -1.19 0.18 116.25 117.60 1h6k h VAL 75 Ca 0.02 -0.93 -0.07 0.00 -1.23 0.00 0.00 66.70 64.50 1h6k h VAL 75 Cb 0.45 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 1h6k h VAL 75 CO 0.01 0.23 -0.31 0.00 -1.23 0.00 0.00 177.57 176.27 1h6k h ALA 76 N 1.76 1.39 0.00 5.19 0.00 -1.02 -1.22 119.26 125.36 1h6k h ALA 76 Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1h6k h ALA 76 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1h6k h ALA 76 CO 0.03 0.39 -1.96 2.89 0.00 0.00 0.00 179.25 180.60 1h6k n ARG 77 N -4.03 0.65 -0.00 0.00 1.85 -0.53 -4.17 116.66 110.43 1h6k n ARG 77 Ca -0.02 -0.16 0.07 0.00 -1.00 0.00 0.00 57.85 56.74 1h6k n ARG 77 Cb 0.37 -1.47 -0.10 0.00 -1.05 0.00 0.00 32.46 30.20 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 -2.26 0.26 -2.89 2.89 4.77 0.53 -4.70 117.00 115.60 1h6k n LEU 78 Ca -0.07 -0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 1h6k n LEU 78 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1h6k n LEU 78 CO 0.42 0.06 0.05 0.18 -1.33 0.00 0.00 177.39 176.77 1h6k n LEU 79 N -1.74 3.45 0.21 2.23 4.32 -0.47 -4.90 117.00 120.10 1h6k n LEU 79 Ca -0.01 -5.29 0.13 0.00 -0.02 0.00 0.00 56.01 50.83 1h6k n LEU 79 Cb 0.32 -0.17 0.73 0.00 -1.62 0.00 0.00 43.42 42.67 1h6k n LEU 79 CO 0.30 2.26 1.11 1.55 -1.22 0.00 0.00 177.39 181.39 1h6k h PRO 80 N 2.91 0.00 0.00 3.23 0.13 -1.83 0.49 132.00 136.93 1h6k h PRO 80 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1h6k h PRO 80 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1h6k h PRO 80 CO 0.73 0.00 -0.03 1.05 -0.23 0.00 0.00 178.00 179.52 1h6k h GLU 81 N 0.00 0.00 -0.57 0.86 9.09 -1.90 -0.45 114.58 121.61 1h6k h GLU 81 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1h6k h GLU 81 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1h6k h GLU 81 CO -0.00 0.03 0.00 1.63 0.05 0.00 0.00 179.01 180.72 1h6k n LYS 82 N -3.66 3.99 -0.27 1.06 5.02 0.16 -4.77 118.16 119.69 1h6k n LYS 82 Ca -0.03 -2.94 -0.07 0.00 -2.02 0.00 0.00 58.31 53.25 1h6k n LYS 82 Cb 0.12 -1.98 -0.06 0.00 -0.02 0.00 0.00 35.03 33.09 1h6k n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1h6k n LEU 83 N 0.75 -0.68 0.26 -0.35 7.94 -0.18 -1.08 117.00 123.67 1h6k n LEU 83 Ca 0.25 1.28 0.17 0.00 -1.11 0.00 0.00 56.01 56.60 1h6k n LEU 83 Cb 0.97 -0.22 0.65 0.00 0.53 0.00 0.00 43.42 45.36 1h6k n LEU 83 CO 0.25 -1.00 0.98 0.71 -1.11 0.00 0.00 177.39 177.22 1h6k h THR 84 N 0.00 0.00 -0.10 1.96 1.35 -1.85 -0.67 112.91 113.60 1h6k h THR 84 Ca 0.10 -0.51 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1h6k h THR 84 Cb 0.26 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1h6k h THR 84 CO -0.60 0.00 -0.09 0.40 -0.25 0.00 0.00 175.52 174.98 1h6k h ILE 85 N 0.00 1.36 -0.06 6.82 2.04 -1.43 -2.87 117.51 123.37 1h6k h ILE 85 Ca 0.00 -1.23 -0.18 0.00 1.00 0.00 0.00 64.86 64.45 1h6k h ILE 85 Cb 0.52 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1h6k h ILE 85 CO 0.00 0.35 -0.75 1.88 0.00 0.00 0.00 178.15 179.63 1h6k h TYR 86 N -0.17 0.47 -0.66 1.37 0.05 -0.83 -2.09 116.97 115.12 1h6k h TYR 86 Ca 0.02 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.50 1h6k h TYR 86 Cb 0.60 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1h6k h TYR 86 CO 0.08 0.97 0.11 1.79 -1.05 0.00 0.00 178.16 180.07 1h6k h THR 87 N 0.23 1.26 -0.22 -2.88 1.35 -1.25 -0.25 112.91 111.15 1h6k h THR 87 Ca -0.03 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 64.82 1h6k h THR 87 Cb 1.33 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1h6k h THR 87 CO 0.12 0.38 0.11 0.74 -0.25 0.00 0.00 175.52 176.63 1h6k h THR 88 N 1.02 1.00 -0.28 6.82 2.02 -1.38 0.20 112.91 122.30 1h6k h THR 88 Ca 0.20 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1h6k h THR 88 Cb 0.43 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1h6k h THR 88 CO 0.01 0.04 -0.04 0.25 0.37 0.00 0.00 175.52 176.15 1h6k h LEU 89 N 0.24 -0.20 -0.61 2.58 5.85 -1.01 0.50 115.31 122.67 1h6k h LEU 89 Ca 0.09 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1h6k h LEU 89 Cb 0.02 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1h6k h LEU 89 CO -0.06 -0.07 0.38 0.58 -0.34 0.00 0.00 178.44 178.94 1h6k h VAL 90 N 0.03 1.09 -0.51 1.05 2.07 -0.68 -0.68 116.25 118.62 1h6k h VAL 90 Ca 0.14 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1h6k h VAL 90 Cb 0.20 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1h6k h VAL 90 CO -0.26 0.14 0.19 1.23 0.02 0.00 0.00 177.57 178.88 1h6k h GLY 91 N 0.75 0.69 1.44 2.17 0.00 0.38 0.22 103.07 108.72 1h6k h GLY 91 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1h6k h GLY 91 CO -0.09 0.01 -0.05 1.41 0.00 0.00 0.00 176.54 177.82 1h6k h LEU 92 N 0.37 0.66 -0.56 3.11 3.38 -0.41 -0.37 115.31 121.49 1h6k h LEU 92 Ca 0.25 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1h6k h LEU 92 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h6k h LEU 92 CO -0.25 0.76 -0.01 -0.07 0.09 0.00 0.00 178.44 178.97 1h6k h LEU 93 N 0.64 0.98 -0.75 1.67 4.07 -0.06 -2.80 115.31 119.07 1h6k h LEU 93 Ca 0.12 -0.31 -0.12 0.00 0.08 0.00 0.00 57.88 57.65 1h6k h LEU 93 Cb 0.48 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1h6k h LEU 93 CO 0.02 1.05 -0.31 -1.13 -1.08 0.00 0.00 178.44 177.00 1h6k h ASN 94 N 0.89 0.62 0.19 -0.43 -1.24 -0.17 -0.35 115.58 115.08 1h6k h ASN 94 Ca 0.16 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1h6k h ASN 94 Cb 0.55 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 1h6k h ASN 94 CO 0.03 0.89 -0.12 0.00 -1.29 0.00 0.00 177.43 176.95 1h6k h ALA 95 N 1.15 1.57 0.17 1.57 0.00 -0.85 -2.73 119.26 120.14 1h6k h ALA 95 Ca 0.06 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1h6k h ALA 95 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1h6k h ALA 95 CO 0.06 0.14 -1.75 0.00 0.00 0.00 0.00 179.25 177.71 1h6k h ARG 96 N 0.00 0.35 -2.78 0.00 3.08 -1.17 -3.44 114.38 110.43 1h6k h ARG 96 Ca -0.00 -0.61 -0.56 0.00 0.07 0.00 0.00 59.98 58.88 1h6k h ARG 96 Cb 0.24 0.23 -0.40 0.00 0.08 0.00 0.00 29.97 30.12 1h6k h ARG 96 CO 0.02 1.29 -0.81 1.21 -1.07 0.00 0.00 179.97 180.61 1h6k s ASN 97 N -7.22 3.33 0.31 7.04 3.84 -0.19 -5.01 114.94 117.04 1h6k s ASN 97 Ca -0.18 -1.82 -0.00 0.00 0.21 0.00 0.00 52.86 51.07 1h6k s ASN 97 Cb 0.05 -0.46 0.51 0.00 -0.55 0.00 0.00 41.25 40.79 1h6k s ASN 97 CO 0.83 -0.37 1.96 0.22 -2.79 0.00 0.00 177.10 176.95 1h6k h TYR 98 N 7.64 1.00 -0.49 0.43 3.20 -1.76 -1.69 116.97 125.30 1h6k h TYR 98 Ca -0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1h6k h TYR 98 Cb 0.99 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1h6k h TYR 98 CO 0.38 0.59 0.18 -0.91 -1.64 0.00 0.00 178.16 176.76 1h6k h ASN 99 N 1.05 0.65 -0.40 -2.11 2.35 -1.95 -2.34 115.58 112.82 1h6k h ASN 99 Ca 0.32 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1h6k h ASN 99 Cb -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1h6k h ASN 99 CO -0.09 0.60 0.26 0.15 -1.65 0.00 0.00 177.43 176.70 1h6k h PHE 100 N 0.70 0.49 -0.52 1.19 3.57 -1.67 -1.15 116.94 119.54 1h6k h PHE 100 Ca 0.17 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1h6k h PHE 100 Cb 0.17 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1h6k h PHE 100 CO 0.01 0.30 0.35 0.78 -2.23 0.00 0.00 178.31 177.52 1h6k h GLY 101 N 0.53 0.73 0.99 2.40 0.00 -1.32 0.31 103.07 106.71 1h6k h GLY 101 Ca 0.15 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1h6k h GLY 101 CO -0.04 0.26 0.05 -1.33 0.00 0.00 0.00 176.54 175.48 1h6k h GLY 102 N 0.69 0.89 0.95 4.60 0.00 -0.86 -0.37 103.07 108.97 1h6k h GLY 102 Ca 0.19 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1h6k h GLY 102 CO -0.04 0.57 -0.23 0.83 0.00 0.00 0.00 176.54 177.67 1h6k h GLU 103 N 0.69 0.67 0.21 4.80 5.08 -0.12 -1.02 114.58 124.89 1h6k h GLU 103 Ca 0.14 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1h6k h GLU 103 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1h6k h GLU 103 CO 0.02 0.94 -0.22 0.35 -1.00 0.00 0.00 179.01 179.09 1h6k h PHE 104 N 0.42 -0.57 -0.77 4.33 3.57 -0.29 0.32 116.94 123.95 1h6k h PHE 104 Ca 0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1h6k h PHE 104 Cb 0.78 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1h6k h PHE 104 CO 0.07 -0.32 0.50 0.28 -2.23 0.00 0.00 178.31 176.61 1h6k h VAL 105 N -0.46 1.02 -0.31 1.41 2.07 -1.06 0.19 116.25 119.11 1h6k h VAL 105 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1h6k h VAL 105 Cb 0.44 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1h6k h VAL 105 CO -0.06 0.15 0.06 -0.08 0.02 0.00 0.00 177.57 177.66 1h6k h GLU 106 N 0.80 0.50 -0.51 1.57 4.81 -0.37 -2.49 114.58 118.89 1h6k h GLU 106 Ca 0.34 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1h6k h GLU 106 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1h6k h GLU 106 CO -0.12 0.59 -0.01 0.00 -0.73 0.00 0.00 179.01 178.74 1h6k h ALA 107 N 0.89 1.03 -0.79 2.92 0.00 0.87 -2.65 119.26 121.54 1h6k h ALA 107 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1h6k h ALA 107 Cb 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1h6k h ALA 107 CO 0.00 0.60 0.34 0.52 0.00 0.00 0.00 179.25 180.72 1h6k h MET 108 N 0.80 1.16 -0.53 0.00 2.86 -0.56 0.89 114.93 119.55 1h6k h MET 108 Ca 0.15 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1h6k h MET 108 Cb 0.49 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1h6k h MET 108 CO 0.02 0.92 0.07 0.82 1.06 0.00 0.00 176.91 179.81 1h6k h ILE 109 N 1.13 1.24 -0.40 -1.22 1.08 -1.25 0.25 117.51 118.35 1h6k h ILE 109 Ca 0.27 -0.92 -0.14 0.00 -0.39 0.00 0.00 64.86 63.67 1h6k h ILE 109 Cb 0.17 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1h6k h ILE 109 CO -0.03 0.34 -0.31 0.03 -0.69 0.00 0.00 178.15 177.48 1h6k h ARG 110 N 0.80 0.88 -0.55 2.37 3.08 -1.08 -1.84 114.38 118.05 1h6k h ARG 110 Ca 0.17 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1h6k h ARG 110 Cb 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1h6k h ARG 110 CO 0.01 1.07 -0.03 0.37 -1.07 0.00 0.00 179.97 180.31 1h6k h GLN 111 N 0.74 0.96 0.09 0.04 5.75 -0.33 -0.20 115.11 122.17 1h6k h GLN 111 Ca 0.08 -0.31 0.01 0.00 -0.15 0.00 0.00 58.65 58.28 1h6k h GLN 111 Cb 0.88 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1h6k h GLN 111 CO 0.08 0.97 -0.15 1.25 -2.65 0.00 0.00 178.83 178.33 1h6k h LEU 112 N 0.88 -0.42 -0.58 -2.39 5.85 -0.33 0.52 115.31 118.84 1h6k h LEU 112 Ca 0.15 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1h6k h LEU 112 Cb 0.56 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1h6k h LEU 112 CO 0.03 -0.22 0.25 0.11 -0.34 0.00 0.00 178.44 178.27 1h6k h LYS 113 N -0.30 0.46 -0.38 1.25 1.57 -1.08 -2.00 116.57 116.08 1h6k h LYS 113 Ca 0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h6k h LYS 113 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1h6k h LYS 113 CO -0.08 0.30 0.22 0.93 -0.57 0.00 0.00 179.45 180.25 1h6k h GLU 114 N 0.47 0.53 -0.56 3.15 3.07 -0.61 -0.98 114.58 119.64 1h6k h GLU 114 Ca 0.28 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1h6k h GLU 114 Cb 0.27 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1h6k h GLU 114 CO -0.24 0.41 0.28 0.77 -1.40 0.00 0.00 179.01 178.84 1h6k h SER 115 N 0.50 0.73 -0.62 1.42 0.02 -0.54 -0.81 113.55 114.25 1h6k h SER 115 Ca 0.14 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1h6k h SER 115 Cb 0.03 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1h6k h SER 115 CO -0.02 0.65 0.41 -0.07 -1.14 0.00 0.00 176.83 176.65 1h6k h LEU 116 N 0.76 0.72 -0.27 5.07 3.38 -1.20 0.31 115.31 124.08 1h6k h LEU 116 Ca 0.20 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1h6k h LEU 116 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1h6k h LEU 116 CO -0.03 0.53 0.04 0.50 0.09 0.00 0.00 178.44 179.57 1h6k h LYS 117 N 0.85 0.13 0.00 1.13 1.63 -0.74 -1.11 116.57 118.46 1h6k h LYS 117 Ca 0.23 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1h6k h LYS 117 Cb -0.09 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1h6k h LYS 117 CO -0.05 0.09 0.00 0.00 -3.45 0.00 0.00 179.45 176.04 1h6k n ALA 118 N -2.35 2.37 -1.70 5.00 0.00 -0.35 -4.85 120.51 118.64 1h6k n ALA 118 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1h6k n ALA 118 Cb 0.12 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.52 -5.01 -3.74 0.00 3.02 -0.42 -4.91 115.26 103.67 1h6k n ASN 119 Ca 0.01 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1h6k n ASN 119 Cb 0.00 -4.02 0.01 0.00 -0.61 0.00 0.00 39.78 35.16 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 -0.84 6.64 0.15 6.41 3.02 0.10 -4.72 115.26 126.03 1h6k n ASN 120 Ca -0.18 -3.29 0.04 0.00 -0.03 0.00 0.00 54.58 51.12 1h6k n ASN 120 Cb 0.58 -1.34 0.46 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 5.07 0.18 -0.30 3.10 0.05 -1.89 -1.05 116.97 122.13 1h6k h TYR 121 Ca 0.46 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.20 1h6k h TYR 121 Cb 0.48 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1h6k h TYR 121 CO 1.32 0.26 0.08 -0.91 -1.05 0.00 0.00 178.16 177.86 1h6k h ASN 122 N 0.17 0.45 -0.12 3.88 4.21 -1.96 -1.68 115.58 120.54 1h6k h ASN 122 Ca 0.04 -0.22 -0.09 0.00 1.21 0.00 0.00 56.30 57.24 1h6k h ASN 122 Cb 0.25 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1h6k h ASN 122 CO 0.01 0.56 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.18 1h6k h GLU 123 N 0.33 0.53 -0.38 0.81 5.08 -1.80 -2.84 114.58 116.31 1h6k h GLU 123 Ca 0.10 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1h6k h GLU 123 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1h6k h GLU 123 CO -0.00 0.70 0.21 0.00 -1.00 0.00 0.00 179.01 178.92 1h6k h ALA 124 N 1.31 1.66 -0.77 3.43 0.00 -0.71 -1.78 119.26 122.40 1h6k h ALA 124 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h6k h ALA 124 Cb 0.62 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1h6k h ALA 124 CO 0.04 0.29 0.47 0.28 0.00 0.00 0.00 179.25 180.34 1h6k h VAL 125 N 0.52 1.21 -0.43 0.00 2.07 -1.06 -1.18 116.25 117.38 1h6k h VAL 125 Ca 0.14 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1h6k h VAL 125 Cb 0.01 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1h6k h VAL 125 CO -0.02 0.22 -0.10 1.88 0.02 0.00 0.00 177.57 179.56 1h6k h TYR 126 N 1.05 0.84 -0.32 1.57 0.05 -1.40 -0.28 116.97 118.48 1h6k h TYR 126 Ca 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1h6k h TYR 126 Cb -0.06 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 1h6k h TYR 126 CO -0.01 0.83 0.19 -0.07 -1.05 0.00 0.00 178.16 178.05 1h6k h LEU 127 N 0.69 0.39 -0.86 3.88 3.38 -1.03 0.14 115.31 121.90 1h6k h LEU 127 Ca 0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1h6k h LEU 127 Cb 0.57 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1h6k h LEU 127 CO 0.04 0.33 0.33 0.58 0.09 0.00 0.00 178.44 179.81 1h6k h VAL 128 N 0.41 1.26 -0.62 1.22 2.07 -0.67 -0.82 116.25 119.09 1h6k h VAL 128 Ca 0.11 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1h6k h VAL 128 Cb 0.02 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1h6k h VAL 128 CO -0.02 0.32 0.12 -0.09 0.02 0.00 0.00 177.57 177.92 1h6k h ARG 129 N 1.14 0.99 -0.31 1.57 2.43 -0.71 -0.93 114.38 118.55 1h6k h ARG 129 Ca 0.27 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1h6k h ARG 129 Cb 0.19 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1h6k h ARG 129 CO -0.02 0.90 -0.03 0.35 -1.51 0.00 0.00 179.97 179.65 1h6k h PHE 130 N 0.94 0.62 -0.87 2.20 3.04 0.10 -0.37 116.94 122.60 1h6k h PHE 130 Ca 0.19 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1h6k h PHE 130 Cb 0.38 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 1h6k h PHE 130 CO 0.03 0.71 0.51 -0.07 -2.02 0.00 0.00 178.31 177.47 1h6k h LEU 131 N 0.34 1.05 0.40 0.59 3.38 -1.01 -0.56 115.31 119.50 1h6k h LEU 131 Ca 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1h6k h LEU 131 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1h6k h LEU 131 CO 0.02 0.82 -0.19 0.28 0.09 0.00 0.00 178.44 179.46 1h6k h SER 132 N 1.20 -0.46 0.32 -0.43 0.02 -0.80 -2.71 113.55 110.69 1h6k h SER 132 Ca 0.31 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 1h6k h SER 132 Cb -0.02 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1h6k h SER 132 CO -0.06 -0.32 -0.17 -0.78 -1.14 0.00 0.00 176.83 174.37 1h6k h ASP 133 N -0.56 0.00 0.08 3.07 3.58 -0.82 -0.50 116.42 121.28 1h6k h ASP 133 Ca -0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1h6k h ASP 133 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1h6k h ASP 133 CO 0.09 0.17 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.55 1h6k h LEU 134 N 0.00 0.00 -0.44 2.28 3.38 -0.77 -0.08 115.31 119.68 1h6k h LEU 134 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1h6k h LEU 134 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1h6k h LEU 134 CO 0.02 0.00 -0.14 0.58 0.09 0.00 0.00 178.44 178.99 1h6k h VAL 135 N 0.00 1.27 0.00 1.22 2.07 -1.05 0.54 116.25 120.30 1h6k h VAL 135 Ca -0.00 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1h6k h VAL 135 Cb 0.04 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1h6k h VAL 135 CO 0.00 0.43 -0.28 0.78 0.02 0.00 0.00 177.57 178.53 1h6k h ASN 136 N 0.71 0.00 0.07 0.57 2.35 -1.14 0.65 115.58 118.80 1h6k h ASN 136 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1h6k h ASN 136 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1h6k h ASN 136 CO 0.05 0.28 -0.01 0.00 -1.65 0.00 0.00 177.43 176.10 1h6k n HIS 138 N -0.78 -1.22 0.00 0.00 8.25 0.22 -4.62 115.22 117.08 1h6k n HIS 138 Ca 0.22 0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.66 1h6k n HIS 138 Cb 0.18 -3.66 -0.13 0.00 1.12 0.00 0.00 29.99 27.50 1h6k n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h6k h VAL 139 N -0.14 1.02 -3.59 1.59 2.07 -1.12 -3.06 116.25 113.02 1h6k h VAL 139 Ca -0.44 -2.81 -0.61 0.00 0.82 0.00 0.00 66.70 63.67 1h6k h VAL 139 Cb 1.32 2.49 -0.32 0.00 -1.52 0.00 0.00 31.29 33.26 1h6k h VAL 139 CO 0.52 0.58 -0.85 -0.63 0.02 0.00 0.00 177.57 177.21 1h6k s ILE 140 N -2.65 1.65 0.39 4.57 1.01 -1.14 -1.04 121.20 123.98 1h6k s ILE 140 Ca -0.03 -0.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 1h6k s ILE 140 Cb 0.08 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.03 1h6k s ILE 140 CO 0.82 0.47 1.30 0.00 0.00 0.00 0.00 174.94 177.53 1h6k s ALA 141 N 0.29 3.31 0.21 9.38 0.00 -0.54 -4.21 121.76 130.20 1h6k s ALA 141 Ca -0.12 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1h6k s ALA 141 Cb -0.15 -3.48 0.27 0.00 0.00 0.00 0.00 23.12 19.75 1h6k s ALA 141 CO 0.05 -0.78 1.76 0.00 0.00 0.00 0.00 175.76 176.79 1h6k h ALA 142 N 2.82 0.82 -0.01 0.00 0.00 -1.91 -2.14 119.26 118.84 1h6k h ALA 142 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1h6k h ALA 142 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h6k h ALA 142 CO 0.63 -0.12 0.01 -1.35 0.00 0.00 0.00 179.25 178.42 1h6k h PRO 143 N 0.49 0.00 -0.64 0.00 0.11 -1.97 -0.56 132.00 129.43 1h6k h PRO 143 Ca 0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1h6k h PRO 143 Cb 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1h6k h PRO 143 CO -0.26 0.00 0.13 0.77 -0.21 0.00 0.00 178.00 178.43 1h6k h SER 144 N 0.00 0.98 0.49 -2.05 0.02 -1.75 -1.41 113.55 109.83 1h6k h SER 144 Ca 0.00 -0.21 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1h6k h SER 144 Cb 0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1h6k h SER 144 CO -0.00 0.96 -1.10 0.24 -1.14 0.00 0.00 176.83 175.79 1h6k h MET 145 N 0.98 0.34 -0.62 3.45 2.86 -1.22 -1.46 114.93 119.25 1h6k h MET 145 Ca 0.20 -0.46 0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1h6k h MET 145 Cb 0.39 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 1h6k h MET 145 CO 0.01 1.16 0.31 0.28 1.06 0.00 0.00 176.91 179.73 1h6k h VAL 146 N 0.15 0.92 -0.34 -2.22 2.07 -1.36 0.17 116.25 115.63 1h6k h VAL 146 Ca -0.11 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1h6k h VAL 146 Cb 1.78 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1h6k h VAL 146 CO 0.18 0.10 0.10 0.00 0.02 0.00 0.00 177.57 177.97 1h6k h ALA 147 N 1.35 0.44 -0.50 1.67 0.00 -1.14 0.05 119.26 121.13 1h6k h ALA 147 Ca 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h6k h ALA 147 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1h6k h ALA 147 CO -0.21 0.10 0.32 1.98 0.00 0.00 0.00 179.25 181.44 1h6k h MET 148 N 0.39 0.62 -0.05 0.00 -1.53 -0.75 -1.33 114.93 112.27 1h6k h MET 148 Ca 0.11 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.25 1h6k h MET 148 Cb 0.27 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 1h6k h MET 148 CO -0.00 0.41 -0.35 0.74 0.14 0.00 0.00 176.91 177.85 1h6k h PHE 149 N 0.64 0.11 -0.55 1.39 0.04 -0.45 0.10 116.94 118.22 1h6k h PHE 149 Ca 0.19 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1h6k h PHE 149 Cb -0.03 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1h6k h PHE 149 CO -0.05 0.44 0.32 0.93 -0.60 0.00 0.00 178.31 179.35 1h6k h GLU 150 N 0.09 0.76 -0.62 1.51 5.08 -0.37 -1.16 114.58 119.86 1h6k h GLU 150 Ca 0.01 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1h6k h GLU 150 Cb 0.66 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1h6k h GLU 150 CO 0.05 0.56 0.08 -0.91 -1.00 0.00 0.00 179.01 177.79 1h6k h ASN 151 N 0.74 0.98 -0.67 1.42 2.35 -0.14 -1.24 115.58 119.03 1h6k h ASN 151 Ca 0.20 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1h6k h ASN 151 Cb 0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1h6k h ASN 151 CO -0.04 0.99 0.30 -0.26 -1.65 0.00 0.00 177.43 176.77 1h6k h PHE 152 N 0.96 0.99 0.00 1.19 -1.00 -0.54 -2.75 116.94 115.78 1h6k h PHE 152 Ca 0.19 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.82 1h6k h PHE 152 Cb 0.45 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1h6k h PHE 152 CO 0.03 0.75 -0.41 0.28 -1.61 0.00 0.00 178.31 177.35 1h6k h VAL 153 N 0.93 0.98 0.00 -0.55 2.07 -0.82 -2.31 116.25 116.55 1h6k h VAL 153 Ca 0.23 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1h6k h VAL 153 Cb 0.16 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1h6k h VAL 153 CO -0.02 0.40 -0.06 0.77 0.02 0.00 0.00 177.57 178.68 1h6k h SER 154 N 0.00 0.00 -0.70 0.57 4.64 -0.93 -1.18 113.55 115.95 1h6k h SER 154 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1h6k h SER 154 Cb 0.92 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 1h6k h SER 154 CO 0.05 0.06 0.46 0.58 -0.87 0.00 0.00 176.83 177.12 1h6k h VAL 155 N 0.00 0.98 0.00 0.95 2.07 -1.38 0.37 116.25 119.24 1h6k h VAL 155 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1h6k h VAL 155 Cb 0.26 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1h6k h VAL 155 CO 0.01 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.07 1h6k n THR 156 N -4.48 0.44 0.47 2.57 -2.24 -0.45 -0.98 114.28 109.62 1h6k n THR 156 Ca 0.11 0.11 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1h6k n THR 156 Cb 0.27 -0.95 0.06 0.00 -2.10 0.00 0.00 70.33 67.61 1h6k n THR 156 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1h6k n GLN 157 N -1.16 0.88 -2.34 -0.78 -0.06 0.13 -4.97 117.38 109.07 1h6k n GLN 157 Ca 0.06 -1.30 -0.41 0.00 -2.00 0.00 0.00 57.00 53.34 1h6k n GLN 157 Cb 0.06 -1.24 -0.03 0.00 -4.06 0.00 0.00 30.24 24.96 1h6k n GLN 157 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1h6k s GLU 158 N -1.04 4.46 0.13 3.69 2.02 -0.15 -5.00 118.70 122.82 1h6k s GLU 158 Ca 0.15 1.91 -0.23 0.00 0.02 0.00 0.00 54.97 56.82 1h6k s GLU 158 Cb 0.11 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 31.02 1h6k s GLU 158 CO 0.16 -0.14 0.70 -1.21 0.02 0.00 0.00 175.26 174.79 1h6k s GLU 159 N -0.11 4.42 -1.25 1.61 2.02 -1.26 -4.33 118.70 119.80 1h6k s GLU 159 Ca 0.54 0.99 -0.01 0.00 0.02 0.00 0.00 54.97 56.52 1h6k s GLU 159 Cb -0.33 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1h6k s GLU 159 CO 0.36 0.59 0.90 -0.25 0.02 0.00 0.00 175.26 176.89 1h6k n ASP 160 N 1.61 -1.94 -4.27 -0.19 8.00 -1.26 -5.02 116.55 113.48 1h6k n ASP 160 Ca -0.07 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.54 1h6k n ASP 160 Cb 0.49 -4.72 -0.11 0.00 -0.02 0.00 0.00 41.12 36.76 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 -3.47 1.47 0.46 2.53 -7.23 -1.26 -5.12 120.40 107.78 1h6k s VAL 161 Ca 0.04 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 1h6k s VAL 161 Cb -0.02 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 1h6k s VAL 161 CO 0.76 -0.37 1.35 -2.65 -0.31 0.00 0.00 175.10 173.88 1h6k n PRO 162 N 0.50 2.01 -0.16 4.82 -0.02 -1.26 -4.90 135.00 135.99 1h6k n PRO 162 Ca -0.15 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 1h6k n PRO 162 Cb 0.57 -2.52 0.28 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.03 0.87 0.00 -0.52 4.15 -1.60 -1.53 115.11 118.52 1h6k h GLN 163 Ca -0.50 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 1h6k h GLN 163 Cb 1.29 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1h6k h GLN 163 CO 0.60 0.60 -0.02 -0.39 -1.93 0.00 0.00 178.83 177.68 1h6k h VAL 164 N 0.90 0.24 -0.02 2.39 -1.51 -1.53 0.74 116.25 117.45 1h6k h VAL 164 Ca 0.24 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 65.49 1h6k h VAL 164 Cb -0.06 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1h6k h VAL 164 CO -0.05 0.02 -0.16 -0.09 -1.23 0.00 0.00 177.57 176.07 1h6k h ARG 165 N 0.00 0.14 -0.63 5.19 2.43 -1.56 -2.71 114.38 117.25 1h6k h ARG 165 Ca -0.00 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1h6k h ARG 165 Cb 0.13 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1h6k h ARG 165 CO 0.00 0.81 0.15 0.00 -1.51 0.00 0.00 179.97 179.42 1h6k h ARG 166 N -0.48 0.98 -0.32 0.20 3.08 -1.22 -2.96 114.38 113.66 1h6k h ARG 166 Ca -0.01 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.84 1h6k h ARG 166 Cb 0.85 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1h6k h ARG 166 CO 0.03 0.88 0.14 -0.44 -1.07 0.00 0.00 179.97 179.51 1h6k h ASP 167 N 0.94 0.19 -0.40 7.04 3.32 -0.95 -2.41 116.42 124.16 1h6k h ASP 167 Ca 0.20 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1h6k h ASP 167 Cb 0.34 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1h6k h ASP 167 CO 0.00 0.15 0.23 -0.25 -1.72 0.00 0.00 179.24 177.65 1h6k h TRP 168 N 0.30 0.43 -0.42 4.55 7.01 -1.31 0.33 115.95 126.84 1h6k h TRP 168 Ca 0.14 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 1h6k h TRP 168 Cb 0.08 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1h6k h TRP 168 CO -0.11 0.25 0.04 1.88 -2.79 0.00 0.00 178.44 177.70 1h6k h TYR 169 N 0.46 0.67 -0.29 2.65 0.05 -1.51 0.20 116.97 119.19 1h6k h TYR 169 Ca 0.16 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 1h6k h TYR 169 Cb 0.02 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1h6k h TYR 169 CO -0.08 0.61 -0.37 0.28 -1.05 0.00 0.00 178.16 177.56 1h6k h VAL 170 N 0.62 1.30 -0.29 -2.88 2.07 -0.89 -2.57 116.25 113.61 1h6k h VAL 170 Ca 0.13 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1h6k h VAL 170 Cb 0.33 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1h6k h VAL 170 CO 0.01 0.50 0.14 0.22 0.02 0.00 0.00 177.57 178.46 1h6k h TYR 171 N 0.52 0.42 -0.48 1.57 3.20 0.15 -0.04 116.97 122.30 1h6k h TYR 171 Ca 0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1h6k h TYR 171 Cb 0.96 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1h6k h TYR 171 CO 0.07 0.38 0.31 0.00 -1.64 0.00 0.00 178.16 177.29 1h6k h ALA 172 N 0.99 1.64 0.40 1.82 0.00 -0.63 0.82 119.26 124.31 1h6k h ALA 172 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1h6k h ALA 172 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1h6k h ALA 172 CO -0.01 0.33 -0.19 0.35 0.00 0.00 0.00 179.25 179.72 1h6k h PHE 173 N 0.65 -0.50 -0.83 0.00 3.57 -1.05 -3.27 116.94 115.52 1h6k h PHE 173 Ca 0.18 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1h6k h PHE 173 Cb -0.06 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1h6k h PHE 173 CO 0.00 -0.31 0.50 -0.07 -2.23 0.00 0.00 178.31 176.20 1h6k h LEU 174 N -1.04 0.78 0.00 0.59 3.38 -0.88 -1.81 115.31 116.33 1h6k h LEU 174 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h6k h LEU 174 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h6k h LEU 174 CO 0.09 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 1h6k n SER 175 N -4.66 0.00 0.10 -0.43 3.41 0.27 -1.59 113.62 110.73 1h6k n SER 175 Ca 0.12 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1h6k n SER 175 Cb 0.19 -0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1h6k n SER 175 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1h6k h SER 176 N 0.00 0.00 -0.27 4.04 0.02 -1.37 -3.40 113.55 112.57 1h6k h SER 176 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1h6k h SER 176 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1h6k h SER 176 CO 0.00 0.02 0.08 -0.07 -1.14 0.00 0.00 176.83 175.72 1h6k h LEU 177 N 0.00 0.47 -2.02 5.07 3.38 -1.32 -1.38 115.31 119.50 1h6k h LEU 177 Ca -0.00 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1h6k h LEU 177 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1h6k h LEU 177 CO 0.00 0.48 0.35 -0.65 0.09 0.00 0.00 178.44 178.71 1h6k h PRO 178 N 0.50 0.00 0.06 1.13 0.11 -1.78 0.35 132.00 132.37 1h6k h PRO 178 Ca 0.12 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.97 1h6k h PRO 178 Cb 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1h6k h PRO 178 CO -0.00 0.00 -1.40 -1.49 -0.21 0.00 0.00 178.00 174.89 1h6k h TRP 179 N 0.00 0.23 -0.00 0.65 6.55 -1.58 -3.43 115.95 118.37 1h6k h TRP 179 Ca 0.22 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1h6k h TRP 179 Cb 0.93 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.22 1h6k h TRP 179 CO 0.00 1.55 -0.12 1.55 -1.05 0.00 0.00 178.44 180.37 1h6k n VAL 180 N -4.09 0.00 -0.23 1.49 3.14 -0.85 -4.72 118.33 113.07 1h6k n VAL 180 Ca -0.29 -0.44 0.03 0.00 -2.96 0.00 0.00 64.34 60.68 1h6k n VAL 180 Cb 0.81 1.05 0.15 0.00 -1.06 0.00 0.00 33.84 34.79 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 1.03 0.91 0.92 7.55 0.00 -0.50 -1.82 103.07 111.16 1h6k h GLY 181 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1h6k h GLY 181 CO 0.00 -0.14 -0.09 1.70 0.00 0.00 0.00 176.54 178.01 1h6k h LYS 182 N 0.29 -0.20 -0.58 4.80 3.64 -1.77 -1.42 116.57 121.33 1h6k h LYS 182 Ca 0.37 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1h6k h LYS 182 Cb 0.57 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1h6k h LYS 182 CO -0.44 -0.13 0.25 1.49 -2.27 0.00 0.00 179.45 178.34 1h6k h GLU 183 N -0.21 0.86 -0.80 1.90 4.57 -1.81 -1.19 114.58 117.90 1h6k h GLU 183 Ca -0.00 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1h6k h GLU 183 Cb 0.19 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1h6k h GLU 183 CO -0.01 0.72 0.41 -0.07 -1.18 0.00 0.00 179.01 178.89 1h6k h LEU 184 N 0.79 1.02 -0.69 1.64 3.38 -1.18 -1.79 115.31 118.49 1h6k h LEU 184 Ca 0.20 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1h6k h LEU 184 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1h6k h LEU 184 CO -0.02 0.85 -0.64 0.22 0.09 0.00 0.00 178.44 178.94 1h6k h TYR 185 N 1.12 0.10 -0.03 1.13 3.20 -1.07 0.83 116.97 122.26 1h6k h TYR 185 Ca 0.28 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 1h6k h TYR 185 Cb 0.08 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1h6k h TYR 185 CO 0.01 0.69 -0.65 0.93 -1.64 0.00 0.00 178.16 177.51 1h6k h GLU 186 N 0.06 0.11 0.12 1.82 5.08 -0.84 -2.39 114.58 118.53 1h6k h GLU 186 Ca -0.01 -0.08 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 1h6k h GLU 186 Cb 1.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1h6k h GLU 186 CO 0.09 0.72 -1.84 0.87 -1.00 0.00 0.00 179.01 177.84 1h6k h LYS 187 N 0.08 0.26 -1.76 2.33 1.79 -1.18 -3.43 116.57 114.65 1h6k h LYS 187 Ca -0.01 -0.44 -0.45 0.00 -2.18 0.00 0.00 60.65 57.57 1h6k h LYS 187 Cb 1.15 0.16 -0.39 0.00 -1.58 0.00 0.00 32.23 31.58 1h6k h LYS 187 CO 0.09 1.12 -1.16 1.63 -1.08 0.00 0.00 179.45 180.06 1h6k n LYS 188 N -3.44 1.00 -0.31 3.15 4.76 0.27 -4.98 118.16 118.61 1h6k n LYS 188 Ca -0.26 -3.28 0.01 0.00 -2.87 0.00 0.00 58.31 51.90 1h6k n LYS 188 Cb 1.05 -1.60 0.14 0.00 -1.84 0.00 0.00 35.03 32.78 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 2.99 0.82 -0.44 4.39 2.03 -1.57 -0.07 116.42 124.57 1h6k h ASP 189 Ca 0.06 0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 56.32 1h6k h ASP 189 Cb 1.01 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 1h6k h ASP 189 CO 0.48 0.52 0.03 0.00 -1.03 0.00 0.00 179.24 179.24 1h6k h ALA 190 N 1.41 0.59 -0.39 4.15 0.00 -1.93 0.56 119.26 123.63 1h6k h ALA 190 Ca 0.37 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1h6k h ALA 190 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h6k h ALA 190 CO -0.18 0.35 -0.02 0.93 0.00 0.00 0.00 179.25 180.33 1h6k h GLU 191 N 0.60 0.64 -0.28 0.00 3.07 -1.85 -2.24 114.58 114.52 1h6k h GLU 191 Ca 0.13 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.36 58.64 1h6k h GLU 191 Cb 0.44 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1h6k h GLU 191 CO 0.02 0.67 -0.56 0.52 -1.40 0.00 0.00 179.01 178.26 1h6k h MET 192 N 0.60 0.86 -0.78 2.33 2.86 -0.63 -2.58 114.93 117.59 1h6k h MET 192 Ca 0.12 -0.55 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 1h6k h MET 192 Cb 0.40 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 1h6k h MET 192 CO 0.02 1.19 0.51 -0.44 1.06 0.00 0.00 176.91 179.24 1h6k h ASP 193 N 0.66 0.80 -0.44 1.22 3.32 -0.54 0.31 116.42 121.75 1h6k h ASP 193 Ca 0.01 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1h6k h ASP 193 Cb 1.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1h6k h ASP 193 CO 0.12 0.54 -0.14 0.03 -1.72 0.00 0.00 179.24 178.07 1h6k h ARG 194 N 0.93 0.87 -0.41 3.56 3.08 -1.28 -0.82 114.38 120.31 1h6k h ARG 194 Ca 0.32 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1h6k h ARG 194 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1h6k h ARG 194 CO -0.10 0.99 0.22 0.82 -1.07 0.00 0.00 179.97 180.83 1h6k h ILE 195 N 0.70 1.16 -0.78 2.04 2.04 -0.91 -1.99 117.51 119.77 1h6k h ILE 195 Ca 0.11 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1h6k h ILE 195 Cb 0.69 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1h6k h ILE 195 CO 0.05 0.17 0.52 -0.26 0.00 0.00 0.00 178.15 178.63 1h6k h PHE 196 N 0.53 0.97 -0.42 1.37 0.04 -0.85 0.16 116.94 118.74 1h6k h PHE 196 Ca 0.14 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.96 1h6k h PHE 196 Cb 0.08 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1h6k h PHE 196 CO -0.02 0.60 0.24 0.00 -0.60 0.00 0.00 178.31 178.53 1h6k h ALA 197 N 1.30 0.54 -0.43 2.45 0.00 -0.88 0.30 119.26 122.53 1h6k h ALA 197 Ca 0.29 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1h6k h ALA 197 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1h6k h ALA 197 CO -0.07 -0.09 -0.12 -0.91 0.00 0.00 0.00 179.25 178.05 1h6k h ASN 198 N 0.48 0.78 -0.05 0.00 -0.26 -0.76 -1.74 115.58 114.04 1h6k h ASN 198 Ca 0.17 -0.24 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1h6k h ASN 198 Cb 0.03 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1h6k h ASN 198 CO -0.09 0.92 0.01 0.74 -1.06 0.00 0.00 177.43 177.95 1h6k h THR 199 N 0.71 1.20 -0.44 2.81 2.02 0.08 -1.91 112.91 117.39 1h6k h THR 199 Ca 0.12 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1h6k h THR 199 Cb 0.61 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1h6k h THR 199 CO 0.04 0.17 0.17 -0.08 0.37 0.00 0.00 175.52 176.19 1h6k h GLU 200 N -0.16 0.34 -0.84 6.66 4.81 -0.29 -0.10 114.58 125.00 1h6k h GLU 200 Ca 0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1h6k h GLU 200 Cb 0.26 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1h6k h GLU 200 CO 0.00 0.23 0.46 0.66 -0.73 0.00 0.00 179.01 179.62 1h6k h SER 201 N 0.35 1.06 0.42 1.04 4.64 -1.23 -1.19 113.55 118.63 1h6k h SER 201 Ca 0.20 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1h6k h SER 201 Cb 0.17 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1h6k h SER 201 CO -0.19 0.85 -0.20 0.22 -0.87 0.00 0.00 176.83 176.65 1h6k h TYR 202 N 1.17 -0.52 -0.45 4.77 3.20 -0.63 -2.97 116.97 121.55 1h6k h TYR 202 Ca 0.30 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.26 1h6k h TYR 202 Cb 0.04 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1h6k h TYR 202 CO 0.01 -0.31 0.31 -0.07 -1.64 0.00 0.00 178.16 176.46 1h6k h LEU 203 N -0.58 0.09 -1.46 2.82 3.38 -0.67 -0.92 115.31 117.97 1h6k h LEU 203 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 203 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1h6k h LEU 203 CO 0.09 0.05 -0.16 0.11 0.09 0.00 0.00 178.44 178.63 1h6k h LYS 204 N 0.10 0.00 -0.33 1.13 1.57 -1.06 -3.08 116.57 114.89 1h6k h LYS 204 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1h6k h LYS 204 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1h6k h LYS 204 CO -0.02 0.16 0.00 2.89 -0.57 0.00 0.00 179.45 181.91 1h6k n ARG 205 N -3.42 2.95 -2.32 3.15 1.85 -0.36 -5.00 116.66 113.51 1h6k n ARG 205 Ca -0.01 -2.40 -0.39 0.00 -1.00 0.00 0.00 57.85 54.06 1h6k n ARG 205 Cb 0.35 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 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 -1.73 4.20 0.34 2.89 0.52 -1.14 -5.01 118.95 119.01 1h6k s ARG 206 Ca 0.32 1.86 -0.26 0.00 -0.52 0.00 0.00 55.73 57.13 1h6k s ARG 206 Cb 0.22 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.78 1h6k s ARG 206 CO 0.14 -0.20 0.96 -0.65 0.02 0.00 0.00 175.30 175.57 1h6k s GLN 207 N -2.11 4.52 -0.17 3.54 -0.21 -1.26 -4.96 119.66 119.01 1h6k s GLN 207 Ca 0.54 1.35 0.16 0.00 0.02 0.00 0.00 55.36 57.43 1h6k s GLN 207 Cb -0.31 -2.74 0.43 0.00 1.00 0.00 0.00 33.01 31.39 1h6k s GLN 207 CO 0.40 0.21 1.32 1.63 -2.12 0.00 0.00 175.29 176.73 1h6k n LYS 208 N 0.42 2.13 -0.08 2.91 4.76 -1.26 -4.77 118.16 122.27 1h6k n LYS 208 Ca 0.03 -2.81 0.10 0.00 -2.87 0.00 0.00 58.31 52.76 1h6k n LYS 208 Cb 0.50 -1.70 0.47 0.00 -1.84 0.00 0.00 35.03 32.46 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 1.01 0.94 0.00 -0.18 2.02 -1.96 -1.97 112.91 112.77 1h6k h THR 209 Ca 0.02 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1h6k h THR 209 Cb 1.28 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1h6k h THR 209 CO 0.15 0.09 -0.25 1.12 0.37 0.00 0.00 175.52 176.99 1h6k h HIS 210 N 0.47 0.00 -0.36 3.16 2.07 -1.86 -3.38 115.15 115.25 1h6k h HIS 210 Ca 0.26 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.85 1h6k h HIS 210 Cb 0.42 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.32 1h6k h HIS 210 CO -0.00 0.25 -0.41 0.28 -3.07 0.00 0.00 177.93 174.98 1h6k h VAL 211 N 0.00 0.14 -0.17 6.12 2.07 -1.73 -1.73 116.25 120.94 1h6k h VAL 211 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1h6k h VAL 211 Cb 0.72 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1h6k h VAL 211 CO 0.03 0.00 0.17 -0.65 0.02 0.00 0.00 177.57 177.14 1h6k h PRO 212 N -0.34 0.00 0.00 1.57 0.11 -1.80 0.02 132.00 131.56 1h6k h PRO 212 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1h6k h PRO 212 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1h6k h PRO 212 CO -0.54 0.00 -0.15 -0.12 -0.21 0.00 0.00 178.00 176.98 1h6k n MET 213 N -3.95 0.04 0.00 1.05 0.00 -0.66 -3.97 117.12 109.63 1h6k n MET 213 Ca 0.01 0.03 0.01 0.00 -0.00 0.00 0.00 57.70 57.75 1h6k n MET 213 Cb 0.29 -1.54 -0.01 0.00 0.00 0.00 0.00 33.22 31.96 1h6k n MET 213 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h6k n LEU 214 N -1.61 0.33 -4.74 -0.89 4.77 -0.06 -4.88 117.00 109.91 1h6k n LEU 214 Ca 0.06 -0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 1h6k n LEU 214 Cb 0.35 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1h6k n LEU 214 CO 0.30 0.08 0.80 -1.10 -1.33 0.00 0.00 177.39 176.14 1h6k s GLN 215 N -1.08 4.58 0.26 3.23 -0.21 -0.84 -4.53 119.66 121.06 1h6k s GLN 215 Ca 0.01 1.73 0.02 0.00 0.02 0.00 0.00 55.36 57.15 1h6k s GLN 215 Cb 0.02 -3.28 0.33 0.00 1.00 0.00 0.00 33.01 31.08 1h6k s GLN 215 CO 0.10 0.05 1.65 0.28 -2.12 0.00 0.00 175.29 175.24 1h6k h VAL 216 N 3.76 1.30 -3.96 1.09 2.07 -1.93 -3.42 116.25 115.15 1h6k h VAL 216 Ca -0.44 -1.52 -0.37 0.00 0.82 0.00 0.00 66.70 65.19 1h6k h VAL 216 Cb 1.21 1.58 -0.22 0.00 -1.52 0.00 0.00 31.29 32.34 1h6k h VAL 216 CO 0.73 0.47 -0.77 0.26 0.02 0.00 0.00 177.57 178.28 1h6k s TRP 217 N -4.24 1.02 -0.20 1.57 0.51 -1.26 -0.73 118.94 115.61 1h6k s TRP 217 Ca -0.06 -0.45 0.22 0.00 -2.12 0.00 0.00 56.10 53.69 1h6k s TRP 217 Cb 0.13 -0.59 -0.22 0.00 -0.81 0.00 0.00 33.47 31.98 1h6k s TRP 217 CO 0.80 0.01 0.69 0.25 -0.51 0.00 0.00 176.95 178.18 1h6k n THR 218 N 1.48 0.15 -1.74 2.01 -2.24 -1.08 -4.67 114.28 108.19 1h6k n THR 218 Ca -0.21 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 1h6k n THR 218 Cb 0.54 0.01 0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1h6k n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h6k n ALA 219 N -2.15 1.64 0.16 6.98 0.00 -1.26 -4.90 120.51 120.97 1h6k n ALA 219 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1h6k n ALA 219 Cb 0.54 -2.35 0.05 0.00 0.00 0.00 0.00 19.45 17.69 1h6k n ALA 219 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1h6k h ASP 220 N 1.68 0.00 -4.13 0.00 3.32 -1.92 -3.42 116.42 111.95 1h6k h ASP 220 Ca -0.50 -0.01 -0.68 0.00 0.02 0.00 0.00 57.03 55.86 1h6k h ASP 220 Cb 1.30 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 1h6k h ASP 220 CO 0.58 0.01 -0.87 -0.54 -1.72 0.00 0.00 179.24 176.70 1h6k s LYS 221 N -3.32 1.56 0.29 3.56 1.02 -1.26 -2.49 119.74 119.10 1h6k s LYS 221 Ca 0.02 -1.21 0.25 0.00 0.02 0.00 0.00 55.97 55.05 1h6k s LYS 221 Cb 0.09 -1.88 0.68 0.00 -0.52 0.00 0.00 37.83 36.20 1h6k s LYS 221 CO 0.76 0.47 1.73 -1.00 -0.92 0.00 0.00 175.35 176.38 1h6k h PRO 222 N 4.36 0.00 -4.33 -1.68 0.13 -1.98 -3.48 132.00 125.02 1h6k h PRO 222 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1h6k h PRO 222 Cb 1.16 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.93 1h6k h PRO 222 CO 0.41 0.00 -0.81 -1.01 -0.23 0.00 0.00 178.00 176.37 1h6k s HIS 223 N -3.15 1.52 0.30 1.56 3.76 -1.23 -5.11 115.29 112.93 1h6k s HIS 223 Ca 0.09 -0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 53.98 1h6k s HIS 223 Cb 0.10 -1.21 -0.11 0.00 1.11 0.00 0.00 32.58 32.47 1h6k s HIS 223 CO 0.61 -0.47 1.49 -2.14 -0.85 0.00 0.00 174.74 173.39 1h6k s PRO 224 N 1.45 4.19 -0.59 8.40 0.02 -1.04 -4.75 135.00 142.68 1h6k s PRO 224 Ca 0.00 2.45 -0.21 0.00 0.02 0.00 0.00 61.00 63.26 1h6k s PRO 224 Cb -0.13 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.42 1h6k s PRO 224 CO -0.06 -0.50 0.80 -0.65 -0.33 0.00 0.00 177.00 176.26 1h6k s GLN 225 N -0.90 3.12 0.25 5.54 -1.52 -1.26 -4.80 119.66 120.09 1h6k s GLN 225 Ca 0.58 -0.93 -0.13 0.00 -1.95 0.00 0.00 55.36 52.94 1h6k s GLN 225 Cb -0.45 -4.19 -0.08 0.00 -0.22 0.00 0.00 33.01 28.08 1h6k s GLN 225 CO 0.50 -1.54 0.63 -1.21 -0.25 0.00 0.00 175.29 173.42 1h6k s GLU 226 N 3.27 3.95 0.29 2.91 2.02 -1.25 -4.79 118.70 125.10 1h6k s GLU 226 Ca 0.18 0.51 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 1h6k s GLU 226 Cb -0.19 -2.65 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 1h6k s GLU 226 CO 0.11 0.30 1.50 -2.00 0.02 0.00 0.00 175.26 175.19 1h6k s GLU 227 N -2.63 4.19 0.37 1.61 -6.30 -1.26 -0.35 118.70 114.33 1h6k s GLU 227 Ca 0.47 2.45 0.08 0.00 -2.50 0.00 0.00 54.97 55.47 1h6k s GLU 227 Cb -0.12 -3.05 0.80 0.00 0.00 0.00 0.00 34.13 31.76 1h6k s GLU 227 CO 0.19 -0.51 1.94 0.10 0.02 0.00 0.00 175.26 177.01 1h6k h TYR 228 N 4.55 0.73 -0.03 5.30 -0.00 -1.40 -1.37 116.97 124.75 1h6k h TYR 228 Ca -0.47 0.02 -0.21 0.00 -0.00 0.00 0.00 58.73 58.07 1h6k h TYR 228 Cb 1.22 -0.24 -0.00 0.00 -0.00 0.00 0.00 36.73 37.71 1h6k h TYR 228 CO 0.58 0.36 -0.86 -0.07 -0.00 0.00 0.00 178.16 178.17 1h6k h LEU 229 N 0.69 0.48 -1.24 0.10 3.38 -1.90 -1.73 115.31 115.10 1h6k h LEU 229 Ca 0.34 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1h6k h LEU 229 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1h6k h LEU 229 CO -0.12 1.14 -0.30 0.44 0.09 0.00 0.00 178.44 179.69 1h6k h ASP 230 N 0.23 0.14 0.00 -0.43 3.32 -1.73 -1.27 116.42 116.68 1h6k h ASP 230 Ca -0.06 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1h6k h ASP 230 Cb 1.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1h6k h ASP 230 CO 0.15 0.44 -0.12 0.00 -1.72 0.00 0.00 179.24 177.98 1h6k h LEU 232 N -0.68 1.12 -0.04 0.00 5.85 -1.30 0.38 115.31 120.64 1h6k h LEU 232 Ca -0.02 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1h6k h LEU 232 Cb 0.92 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1h6k h LEU 232 CO 0.02 0.84 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.71 1h6k h TRP 233 N 1.29 -0.03 -0.73 1.25 2.91 -1.25 0.31 115.95 119.69 1h6k h TRP 233 Ca 0.34 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.39 1h6k h TRP 233 Cb -0.08 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 1h6k h TRP 233 CO 0.00 -0.02 0.47 0.00 -1.03 0.00 0.00 178.44 177.86 1h6k h ALA 234 N 1.04 0.96 -0.51 2.65 0.00 -1.01 0.14 119.26 122.53 1h6k h ALA 234 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h6k h ALA 234 Cb 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1h6k h ALA 234 CO -0.05 0.27 0.29 1.96 0.00 0.00 0.00 179.25 181.72 1h6k h GLN 235 N 0.92 0.56 -0.53 0.00 4.20 -0.34 -0.89 115.11 119.03 1h6k h GLN 235 Ca 0.29 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.90 1h6k h GLN 235 Cb -0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1h6k h GLN 235 CO -0.10 0.37 0.04 0.82 -0.67 0.00 0.00 178.83 179.29 1h6k h ILE 236 N 0.58 1.24 -0.50 2.54 1.08 0.43 -1.61 117.51 121.27 1h6k h ILE 236 Ca 0.21 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.64 1h6k h ILE 236 Cb 0.06 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1h6k h ILE 236 CO -0.11 0.35 0.06 1.56 -0.69 0.00 0.00 178.15 179.32 1h6k h GLN 237 N 0.82 0.79 -0.49 2.37 1.08 -0.29 -0.31 115.11 119.08 1h6k h GLN 237 Ca 0.16 -0.19 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 1h6k h GLN 237 Cb 0.42 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1h6k h GLN 237 CO 0.01 0.76 -0.16 -0.22 -0.95 0.00 0.00 178.83 178.28 1h6k h LYS 238 N 0.75 0.97 -0.71 1.46 3.64 -0.83 -0.44 116.57 121.41 1h6k h LYS 238 Ca 0.16 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1h6k h LYS 238 Cb 0.37 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1h6k h LYS 238 CO 0.01 1.06 0.37 1.25 -2.27 0.00 0.00 179.45 179.86 1h6k h LEU 239 N 0.82 0.90 -0.27 5.20 5.85 -0.83 -0.11 115.31 126.87 1h6k h LEU 239 Ca 0.12 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1h6k h LEU 239 Cb 0.72 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1h6k h LEU 239 CO 0.06 0.76 0.10 0.50 -0.34 0.00 0.00 178.44 179.51 1h6k h LYS 240 N 0.98 0.41 -0.36 1.25 3.64 -0.88 0.39 116.57 121.99 1h6k h LYS 240 Ca 0.25 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1h6k h LYS 240 Cb 0.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1h6k h LYS 240 CO -0.04 0.45 0.25 -0.22 -2.27 0.00 0.00 179.45 177.62 1h6k h LYS 241 N 0.29 0.26 -0.70 1.90 3.64 -0.72 0.12 116.57 121.36 1h6k h LYS 241 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1h6k h LYS 241 Cb 0.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1h6k h LYS 241 CO -0.01 0.17 0.00 -0.25 -2.27 0.00 0.00 179.45 177.10 1h6k n ASP 242 N -4.48 1.92 -2.75 4.20 8.00 -0.09 -4.86 116.55 118.49 1h6k n ASP 242 Ca 0.04 -2.18 -0.21 0.00 0.71 0.00 0.00 54.79 53.15 1h6k n ASP 242 Cb 0.24 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.91 1h6k n ASP 242 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h6k n ARG 243 N 0.14 -3.43 -1.59 -1.24 1.74 0.42 -2.35 116.66 110.35 1h6k n ARG 243 Ca 0.07 0.93 -0.12 0.00 -0.77 0.00 0.00 57.85 57.96 1h6k n ARG 243 Cb 0.41 -5.70 -0.04 0.00 -1.02 0.00 0.00 32.46 26.11 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 -4.25 -0.16 -3.78 -1.55 7.02 0.13 -4.92 117.44 109.93 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 -2.39 -0.08 0.00 -2.42 0.00 0.00 31.31 27.07 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 -3.46 4.12 0.30 -0.99 -1.52 -0.99 -4.42 119.66 112.70 1h6k s GLN 245 Ca 0.00 -0.24 0.05 0.00 -1.95 0.00 0.00 55.36 53.22 1h6k s GLN 245 Cb 0.00 -3.38 -0.06 0.00 -0.22 0.00 0.00 33.01 29.35 1h6k s GLN 245 CO 0.00 0.32 0.01 -1.83 -0.25 0.00 0.00 175.29 173.54 1h6k s GLU 246 N 0.30 1.60 -0.08 2.91 4.04 -1.26 -4.89 118.70 121.32 1h6k s GLU 246 Ca 0.08 -1.86 0.12 0.00 0.04 0.00 0.00 54.97 53.35 1h6k s GLU 246 Cb -0.11 -0.96 0.18 0.00 0.02 0.00 0.00 34.13 33.26 1h6k s GLU 246 CO -0.01 -0.10 1.09 0.54 -1.84 0.00 0.00 175.26 174.94 1h6k n ARG 247 N -0.64 1.95 0.00 -4.83 1.74 -1.26 -4.80 116.66 108.82 1h6k n ARG 247 Ca -0.04 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 1h6k n ARG 247 Cb 0.65 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.07 0.00 -1.98 -1.55 -0.00 -1.26 -3.51 115.22 105.85 1h6k n HIS 248 Ca 0.10 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.86 1h6k n HIS 248 Cb 0.49 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.33 1h6k n HIS 248 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1h6k s ILE 249 N -1.93 2.97 0.05 3.57 1.01 -1.26 -0.46 121.20 125.14 1h6k s ILE 249 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 1h6k s ILE 249 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.05 1h6k s ILE 249 CO 0.00 0.02 0.77 -0.76 0.00 0.00 0.00 174.94 174.97 1h6k s LEU 250 N 1.91 4.45 -0.40 2.97 1.43 -1.26 -4.68 118.68 123.10 1h6k s LEU 250 Ca 0.71 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1h6k s LEU 250 Cb -0.40 -3.23 0.14 0.00 0.03 0.00 0.00 46.19 42.72 1h6k s LEU 250 CO 0.31 0.02 0.22 -0.13 0.23 0.00 0.00 176.35 177.00 1h6k s ARG 251 N -0.08 0.99 0.51 1.70 0.52 -1.26 -4.74 118.95 116.58 1h6k s ARG 251 Ca 0.38 -1.71 0.19 0.00 -0.52 0.00 0.00 55.73 54.07 1h6k s ARG 251 Cb -0.21 -1.93 1.27 0.00 0.52 0.00 0.00 34.95 34.60 1h6k s ARG 251 CO 0.23 -1.17 2.06 -1.35 0.02 0.00 0.00 175.30 175.08 1h6k h PRO 252 N 6.89 0.08 -0.03 3.54 0.11 -1.96 -2.04 132.00 138.59 1h6k h PRO 252 Ca 0.01 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1h6k h PRO 252 Cb 0.95 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1h6k h PRO 252 CO 0.40 0.05 0.08 0.10 -0.21 0.00 0.00 178.00 178.43 1h6k h TYR 253 N 0.08 0.00 0.00 0.65 -0.00 -1.93 -0.61 116.97 115.16 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.23 1h6k h TYR 253 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1h6k n LEU 254 N -3.31 0.33 -0.11 0.10 4.77 -0.77 -1.58 117.00 116.44 1h6k n LEU 254 Ca -0.02 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1h6k n LEU 254 Cb 0.16 -0.53 0.56 0.00 -2.33 0.00 0.00 43.42 41.28 1h6k n LEU 254 CO 0.22 -0.38 0.82 0.00 -1.33 0.00 0.00 177.39 176.72 1h6k n ALA 255 N -1.63 2.82 -1.90 -1.18 0.00 -0.23 -3.91 120.51 114.47 1h6k n ALA 255 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1h6k n ALA 255 Cb 0.21 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.47 1h6k n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h6k n PHE 256 N -1.01 1.14 -0.15 0.00 3.01 -0.61 -4.81 117.46 115.03 1h6k n PHE 256 Ca 0.13 -1.74 0.21 0.00 1.01 0.00 0.00 57.45 57.05 1h6k n PHE 256 Cb 0.29 -0.28 0.60 0.00 -0.01 0.00 0.00 39.48 40.09 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 1.55 0.20 -0.15 4.37 1.82 -1.68 -0.76 116.42 121.78 1h6k h ASP 257 Ca 0.12 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1h6k h ASP 257 Cb 1.29 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1h6k h ASP 257 CO 0.31 0.09 -0.23 0.77 -1.61 0.00 0.00 179.24 178.57 1h6k h SER 258 N 0.21 0.46 0.04 2.28 4.64 -1.93 -3.35 113.55 115.91 1h6k h SER 258 Ca 0.38 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1h6k h SER 258 Cb 1.17 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1h6k h SER 258 CO -0.08 0.90 -0.02 0.40 -0.87 0.00 0.00 176.83 177.16 1h6k h ILE 259 N 0.04 1.31 -3.60 0.95 2.04 -1.65 -3.44 117.51 113.16 1h6k h ILE 259 Ca 0.01 -1.22 -0.51 0.00 1.00 0.00 0.00 64.86 64.15 1h6k h ILE 259 Cb 0.80 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 1h6k h ILE 259 CO 0.05 0.30 0.34 -0.76 0.00 0.00 0.00 178.15 178.08 1h6k s LEU 260 N -9.12 4.54 0.11 1.44 1.43 -0.40 -4.96 118.68 111.72 1h6k s LEU 260 Ca -0.16 1.80 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 1h6k s LEU 260 Cb 0.01 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1h6k s LEU 260 CO 0.64 0.01 0.68 0.00 0.23 0.00 0.00 176.35 177.91 1h6k h GLU 262 N 2.00 0.00 0.00 0.00 5.08 -1.95 -1.39 114.58 118.33 1h6k h GLU 262 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1h6k h GLU 262 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1h6k h GLU 262 CO 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 1h6k n ALA 263 N -2.48 1.31 0.68 3.43 0.00 -1.26 -1.43 120.51 120.76 1h6k n ALA 263 Ca 0.03 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1h6k n ALA 263 Cb 0.34 -1.30 0.26 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.09 2.80 -4.75 0.00 4.77 -0.52 -4.99 117.00 112.22 1h6k n LEU 264 Ca 0.00 -1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 54.45 1h6k n LEU 264 Cb 0.11 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1h6k n LEU 264 CO 0.12 0.59 0.80 -1.10 -1.33 0.00 0.00 177.39 176.48 1h6k s GLN 265 N -1.63 2.81 0.08 3.23 -0.21 -0.51 -4.67 119.66 118.76 1h6k s GLN 265 Ca 0.36 1.69 0.10 0.00 0.02 0.00 0.00 55.36 57.53 1h6k s GLN 265 Cb 0.21 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 1h6k s GLN 265 CO 0.30 -1.30 -0.26 -1.01 -2.12 0.00 0.00 175.29 170.89 1h6k s HIS 266 N -1.85 2.24 -0.00 0.91 3.76 -0.21 -4.86 115.29 115.27 1h6k s HIS 266 Ca 0.74 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 55.11 1h6k s HIS 266 Cb -0.27 -1.28 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 1h6k s HIS 266 CO 0.37 0.21 0.40 -0.80 -0.85 0.00 0.00 174.74 174.07 1h6k s ASN 267 N -1.60 6.80 0.31 1.40 0.01 -1.26 -1.47 114.94 119.12 1h6k s ASN 267 Ca 0.12 0.95 -0.24 0.00 -0.71 0.00 0.00 52.86 52.97 1h6k s ASN 267 Cb -0.10 -2.24 -0.10 0.00 0.41 0.00 0.00 41.25 39.22 1h6k s ASN 267 CO 0.04 0.33 0.89 -0.76 -1.51 0.00 0.00 177.10 176.09 1h6k s LEU 268 N -1.09 4.32 0.85 0.60 1.43 -1.26 -5.03 118.68 118.50 1h6k s LEU 268 Ca 0.24 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1h6k s LEU 268 Cb -0.17 -3.95 0.11 0.00 0.03 0.00 0.00 46.19 42.21 1h6k s LEU 268 CO 0.13 -0.06 1.14 -2.84 0.23 0.00 0.00 176.35 174.95 1h6k s PRO 269 N -2.10 1.47 0.55 1.29 0.02 -1.26 -4.93 135.00 130.04 1h6k s PRO 269 Ca 0.49 1.48 -0.22 0.00 0.02 0.00 0.00 61.00 62.78 1h6k s PRO 269 Cb -0.18 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 1h6k s PRO 269 CO 0.22 -2.28 1.36 -2.30 -0.33 0.00 0.00 177.00 173.67 1h6k n PRO 270 N -3.86 1.67 -4.00 5.54 -0.02 -1.26 -5.02 135.00 128.04 1h6k n PRO 270 Ca 0.11 0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 1h6k n PRO 270 Cb 0.52 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.29 0.61 -0.09 6.00 2.19 -1.26 -5.12 117.98 119.01 1h6k s PHE 271 Ca 0.72 -0.14 0.01 0.00 0.33 0.00 0.00 56.93 57.86 1h6k s PHE 271 Cb -0.41 -0.63 0.02 0.00 -1.31 0.00 0.00 43.02 40.68 1h6k s PHE 271 CO 0.49 -0.21 -0.12 0.99 1.83 0.00 0.00 175.22 178.20 1h6k s THR 272 N 1.22 1.23 0.05 0.12 2.01 -1.26 -4.93 115.64 114.08 1h6k s THR 272 Ca -0.07 -0.48 -0.34 0.00 0.31 0.00 0.00 61.69 61.12 1h6k s THR 272 Cb -0.14 -1.16 -0.13 0.00 0.01 0.00 0.00 72.50 71.09 1h6k s THR 272 CO -0.02 0.39 1.74 -0.81 -0.69 0.00 0.00 174.62 175.23 1h6k n PRO 273 N 4.28 2.23 -1.63 4.92 -0.04 -1.26 -4.88 135.00 138.63 1h6k n PRO 273 Ca -0.19 0.81 -0.45 0.00 -0.04 0.00 0.00 63.50 63.64 1h6k n PRO 273 Cb 0.51 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 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 5.11 1.63 -1.46 0.54 -0.02 -1.26 -4.89 135.00 134.64 1h6k n PRO 274 Ca 0.20 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 1h6k n PRO 274 Cb 0.30 -2.06 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1h6k n PRO 274 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1h6k s PRO 275 N -1.22 2.15 0.28 0.52 0.02 -1.26 -4.95 135.00 130.54 1h6k s PRO 275 Ca 0.62 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 63.18 1h6k s PRO 275 Cb -0.69 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 1h6k s PRO 275 CO 0.57 -1.84 1.46 -1.58 -0.33 0.00 0.00 177.00 175.28 1h6k s HIS 276 N -1.86 2.93 0.37 6.54 5.65 -1.26 -5.03 115.29 122.63 1h6k s HIS 276 Ca 0.76 1.04 0.05 0.00 0.25 0.00 0.00 55.06 57.16 1h6k s HIS 276 Cb -0.31 -3.87 -0.03 0.00 -1.18 0.00 0.00 32.58 27.19 1h6k s HIS 276 CO 0.45 -2.78 0.19 0.95 -0.65 0.00 0.00 174.74 172.90 1h6k s THR 277 N -0.24 0.32 0.10 0.89 -4.23 -1.26 -5.04 115.64 106.17 1h6k s THR 277 Ca 0.58 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.83 1h6k s THR 277 Cb -0.43 -2.41 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 1h6k s THR 277 CO 0.47 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.90 1h6k h GLU 278 N 1.96 -0.38 0.00 3.99 5.08 -2.06 -2.62 114.58 120.55 1h6k h GLU 278 Ca -0.31 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1h6k h GLU 278 Cb 1.26 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1h6k h GLU 278 CO 0.48 -0.25 0.00 -0.25 -1.00 0.00 0.00 179.01 177.99 1h6k n ASP 279 N -5.30 0.00 -4.70 1.42 9.92 -1.26 -4.82 116.55 111.81 1h6k n ASP 279 Ca -0.08 -0.62 -0.42 0.00 -0.53 0.00 0.00 54.79 53.13 1h6k n ASP 279 Cb 0.21 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.93 6.83 -0.22 -2.24 0.01 -0.99 -5.01 113.70 110.15 1h6k s SER 280 Ca 0.23 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1h6k s SER 280 Cb 0.11 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.82 1h6k s SER 280 CO 0.18 -0.70 -0.05 -0.69 0.41 0.00 0.00 173.24 172.39 1h6k s VAL 281 N 1.94 1.37 0.11 3.43 1.01 -1.26 -4.95 120.40 122.05 1h6k s VAL 281 Ca 0.65 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1h6k s VAL 281 Cb -0.34 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1h6k s VAL 281 CO 0.28 -0.05 0.19 -0.31 0.00 0.00 0.00 175.10 175.21 1h6k s TYR 282 N 1.48 3.37 0.52 5.22 1.51 -1.26 -4.86 117.35 123.33 1h6k s TYR 282 Ca -0.04 0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 55.92 1h6k s TYR 282 Cb -0.18 -1.66 -0.06 0.00 -0.11 0.00 0.00 41.96 39.95 1h6k s TYR 282 CO -0.07 0.54 1.34 -2.30 -1.11 0.00 0.00 175.55 173.96 1h6k n PRO 283 N 0.00 1.79 -1.20 -1.71 -0.02 -1.26 -4.98 135.00 127.63 1h6k n PRO 283 Ca -0.07 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1h6k n PRO 283 Cb 0.53 -2.54 0.11 0.00 -0.02 0.00 0.00 33.50 31.57 1h6k n PRO 283 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1h6k s MET 284 N -2.71 1.97 0.89 -0.52 -1.94 -1.26 -4.89 119.30 110.84 1h6k s MET 284 Ca 0.69 1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 55.94 1h6k s MET 284 Cb -0.43 -1.85 0.13 0.00 2.01 0.00 0.00 34.83 34.69 1h6k s MET 284 CO 0.52 -1.90 1.11 -1.25 -0.01 0.00 0.00 175.02 173.49 1h6k s PRO 285 N -4.56 1.28 0.16 2.03 0.04 -1.26 -5.08 135.00 127.61 1h6k s PRO 285 Ca 0.66 0.49 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1h6k s PRO 285 Cb -0.21 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1h6k s PRO 285 CO 0.53 -2.14 0.00 1.03 0.04 0.00 0.00 177.00 176.46 1h6k s ARG 286 N -5.15 1.06 -0.06 4.56 0.52 -1.26 -4.98 118.95 113.64 1h6k s ARG 286 Ca 0.63 -1.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.40 1h6k s ARG 286 Cb -0.16 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.11 1h6k s ARG 286 CO 0.55 -0.14 -0.24 0.08 0.02 0.00 0.00 175.30 175.57 1h6k s VAL 287 N -3.70 1.94 -0.22 3.52 1.01 -1.26 -0.98 120.40 120.70 1h6k s VAL 287 Ca 0.23 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1h6k s VAL 287 Cb 0.06 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1h6k s VAL 287 CO 0.03 0.54 1.19 -0.63 0.00 0.00 0.00 175.10 176.23 1h6k s ILE 288 N -0.12 4.39 0.17 2.22 -1.09 0.52 -4.88 121.20 122.42 1h6k s ILE 288 Ca -0.04 1.66 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 1h6k s ILE 288 Cb -0.13 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1h6k s ILE 288 CO 0.03 -0.24 1.39 0.12 -1.23 0.00 0.00 174.94 175.02 1h6k s PHE 289 N 3.58 3.19 -0.11 3.97 5.36 -1.26 -3.84 117.98 128.86 1h6k s PHE 289 Ca 0.51 1.02 -0.05 0.00 -0.96 0.00 0.00 56.93 57.45 1h6k s PHE 289 Cb -0.18 -3.71 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 1h6k s PHE 289 CO 0.14 -2.38 0.24 0.50 -1.46 0.00 0.00 175.22 172.25 1h6k s ARG 290 N 0.46 0.15 0.00 10.12 6.06 -1.26 -5.00 118.95 129.48 1h6k s ARG 290 Ca 0.62 0.65 0.00 0.00 -2.50 0.00 0.00 55.73 54.50 1h6k s ARG 290 Cb -0.38 -0.09 0.00 0.00 0.06 0.00 0.00 34.95 34.53 1h6k s ARG 290 CO 0.35 -0.25 0.00 0.00 -2.50 0.00 0.00 175.30 172.90 1h6k n MET 291 N 4.98 4.87 -4.22 5.12 0.00 -1.26 -4.80 117.12 121.80 1h6k n MET 291 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.28 1h6k n MET 291 Cb 0.51 -0.59 -0.09 0.00 0.00 0.00 0.00 33.22 33.05 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 -0.36 2.85 0.33 3.17 0.08 -1.26 -5.01 117.98 117.77 1h6k s PHE 292 Ca 0.00 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.02 1h6k s PHE 292 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1h6k s PHE 292 CO 0.00 0.44 0.26 0.16 -0.10 0.00 0.00 175.22 175.98 1h6k s ASP 293 N -2.13 1.64 0.60 1.36 3.84 -1.26 -4.94 116.67 115.78 1h6k s ASP 293 Ca 0.22 -1.74 0.30 0.00 -0.00 0.00 0.00 52.55 51.34 1h6k s ASP 293 Cb -0.11 0.55 1.68 0.00 -1.38 0.00 0.00 42.92 43.65 1h6k s ASP 293 CO 0.15 -1.04 2.07 0.10 -0.00 0.00 0.00 175.17 176.44 1h6k h TYR 294 N 2.15 0.00 0.00 2.11 -0.00 -1.92 0.19 116.97 119.50 1h6k h TYR 294 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 1h6k h TYR 294 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1h6k h TYR 294 CO 1.62 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 180.03 1h6k n THR 295 N -3.64 0.72 0.52 -0.90 -2.24 -1.26 -2.87 114.28 104.61 1h6k n THR 295 Ca 0.02 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1h6k n THR 295 Cb 0.37 -0.89 0.34 0.00 -2.10 0.00 0.00 70.33 68.05 1h6k n THR 295 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1h6k h ASP 296 N 0.00 0.00 -2.05 3.42 3.32 -1.36 -3.32 116.42 116.43 1h6k h ASP 296 Ca 0.00 -0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1h6k h ASP 296 Cb 0.55 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.70 1h6k h ASP 296 CO 0.00 0.00 -1.07 -0.67 -1.72 0.00 0.00 179.24 175.78 1h6k n ASP 297 N -2.47 1.39 0.00 6.45 2.03 -1.14 -4.99 116.55 117.83 1h6k n ASP 297 Ca 0.05 -3.07 0.08 0.00 0.52 0.00 0.00 54.79 52.37 1h6k n ASP 297 Cb 0.46 -0.62 0.38 0.00 -0.72 0.00 0.00 41.12 40.62 1h6k n ASP 297 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1h6k n PRO 298 N 0.45 0.19 -0.03 -0.67 -0.04 -1.22 -1.66 135.00 132.02 1h6k n PRO 298 Ca 0.25 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 1h6k n PRO 298 Cb 0.58 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1h6k n PRO 298 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1h6k n GLU 299 N -1.32 0.77 -0.71 0.54 1.02 -1.26 -5.03 120.64 114.64 1h6k n GLU 299 Ca 0.07 -1.16 -0.01 0.00 -0.02 0.00 0.00 57.16 56.03 1h6k n GLU 299 Cb 0.13 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1h6k n GLU 299 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h6k n GLY 300 N 0.31 0.73 3.74 0.62 0.00 -0.66 -5.03 105.19 104.91 1h6k n GLY 300 Ca 0.05 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1h6k n GLY 300 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1h6k s PRO 301 N -2.54 4.36 -0.06 1.61 0.02 -1.26 -4.85 135.00 132.28 1h6k s PRO 301 Ca 0.04 2.13 -0.36 0.00 0.02 0.00 0.00 61.00 62.83 1h6k s PRO 301 Cb -0.00 -3.16 -0.13 0.00 0.02 0.00 0.00 34.50 31.23 1h6k s PRO 301 CO 0.02 -0.27 1.74 0.28 -0.33 0.00 0.00 177.00 178.45 1h6k n VAL 302 N 2.24 0.35 -1.82 3.83 0.31 -1.26 -4.49 118.33 117.48 1h6k n VAL 302 Ca 0.05 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 1h6k n VAL 302 Cb 0.42 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1h6k n VAL 302 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1h6k s MET 303 N 2.96 4.15 0.14 5.55 1.75 -1.26 -4.87 119.30 127.73 1h6k s MET 303 Ca 0.90 2.52 -0.33 0.00 -1.25 0.00 0.00 55.69 57.53 1h6k s MET 303 Cb -0.79 -3.06 -0.13 0.00 2.84 0.00 0.00 34.83 33.69 1h6k s MET 303 CO 0.51 -0.63 1.68 -2.30 -0.65 0.00 0.00 175.02 173.63 1h6k n PRO 304 N 2.82 2.38 -0.71 4.11 -0.02 -1.26 -4.69 135.00 137.62 1h6k n PRO 304 Ca 0.10 0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 62.15 1h6k n PRO 304 Cb 0.37 -2.67 0.21 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.56 1.60 0.45 -1.23 0.00 -1.26 -4.72 107.32 103.71 1h6k s GLY 305 Ca 0.80 0.09 0.12 0.00 0.00 0.00 0.00 44.72 45.73 1h6k s GLY 305 CO 0.38 0.68 2.07 1.76 0.00 0.00 0.00 173.10 177.99 1h6k h SER 306 N -2.22 0.29 -0.67 1.64 0.02 -1.92 -2.37 113.55 108.32 1h6k h SER 306 Ca -0.54 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.18 1h6k h SER 306 Cb 1.31 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.64 1h6k h SER 306 CO 0.49 0.20 0.25 1.41 -1.14 0.00 0.00 176.83 178.04 1h6k n HIS 307 N -4.49 2.19 -3.96 3.45 8.25 -1.26 -4.87 115.22 114.54 1h6k n HIS 307 Ca 0.03 -1.31 -0.33 0.00 -0.26 0.00 0.00 57.72 55.85 1h6k n HIS 307 Cb 0.16 -0.66 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.38 6.16 0.51 0.41 1.04 -0.89 -3.98 113.70 115.56 1h6k s SER 308 Ca 0.53 0.26 0.30 0.00 0.48 0.00 0.00 55.95 57.52 1h6k s SER 308 Cb 0.43 -1.88 1.12 0.00 0.10 0.00 0.00 66.02 65.79 1h6k s SER 308 CO 0.11 0.24 1.90 -0.37 0.98 0.00 0.00 173.24 176.10 1h6k h VAL 309 N 2.75 0.15 -0.43 5.02 -1.51 -1.88 -2.93 116.25 117.42 1h6k h VAL 309 Ca -0.48 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1h6k h VAL 309 Cb 1.18 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.96 1h6k h VAL 309 CO 0.69 0.06 0.27 -0.33 -1.23 0.00 0.00 177.57 177.03 1h6k h GLU 310 N 0.00 0.57 -0.84 5.19 3.07 -1.94 0.11 114.58 120.75 1h6k h GLU 310 Ca -0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1h6k h GLU 310 Cb 0.64 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1h6k h GLU 310 CO 0.01 0.41 0.45 -0.09 -1.40 0.00 0.00 179.01 178.39 1h6k h ARG 311 N 0.57 1.18 0.13 2.33 9.65 -1.73 0.27 114.38 126.77 1h6k h ARG 311 Ca 0.15 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1h6k h ARG 311 Cb -0.03 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.33 1h6k h ARG 311 CO -0.03 0.87 -0.06 0.35 2.80 0.00 0.00 179.97 183.90 1h6k h PHE 312 N 1.17 -0.16 -0.31 2.20 3.57 -1.28 -2.12 116.94 120.02 1h6k h PHE 312 Ca 0.29 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1h6k h PHE 312 Cb 0.05 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1h6k h PHE 312 CO 0.01 -0.02 0.05 0.28 -2.23 0.00 0.00 178.31 176.39 1h6k h VAL 313 N -0.25 1.23 -0.27 1.41 2.07 -0.57 -0.24 116.25 119.63 1h6k h VAL 313 Ca -0.02 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.74 1h6k h VAL 313 Cb 0.20 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1h6k h VAL 313 CO 0.03 0.27 -0.03 0.40 0.02 0.00 0.00 177.57 178.25 1h6k h ILE 314 N 0.33 0.77 -0.28 4.57 2.04 -0.96 0.98 117.51 124.96 1h6k h ILE 314 Ca 0.09 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1h6k h ILE 314 Cb 0.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1h6k h ILE 314 CO 0.01 0.01 -0.03 -0.33 0.00 0.00 0.00 178.15 177.80 1h6k h GLU 315 N 0.04 0.52 -0.29 2.37 5.08 -1.24 -0.30 114.58 120.75 1h6k h GLU 315 Ca 0.13 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1h6k h GLU 315 Cb 0.19 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1h6k h GLU 315 CO -0.25 0.69 -0.01 1.49 -1.00 0.00 0.00 179.01 179.93 1h6k h GLU 316 N 0.29 0.07 -0.81 2.33 4.57 -0.71 0.53 114.58 120.85 1h6k h GLU 316 Ca 0.08 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1h6k h GLU 316 Cb 0.48 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1h6k h GLU 316 CO 0.02 0.05 0.34 -0.91 -1.18 0.00 0.00 179.01 177.33 1h6k h ASN 317 N 0.07 1.10 -0.56 1.04 2.35 -0.67 -0.81 115.58 118.11 1h6k h ASN 317 Ca 0.14 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1h6k h ASN 317 Cb 0.19 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1h6k h ASN 317 CO -0.25 0.97 0.05 -0.07 -1.65 0.00 0.00 177.43 176.48 1h6k h LEU 318 N 1.17 0.93 -0.65 1.61 3.38 -0.42 0.84 115.31 122.17 1h6k h LEU 318 Ca 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h6k h LEU 318 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1h6k h LEU 318 CO -0.03 0.98 0.38 0.45 0.09 0.00 0.00 178.44 180.31 1h6k h HIS 319 N 0.85 0.88 -0.43 1.13 3.86 -0.61 -1.44 115.15 119.40 1h6k h HIS 319 Ca 0.17 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1h6k h HIS 319 Cb 0.47 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1h6k h HIS 319 CO 0.03 0.61 -0.02 0.00 0.86 0.00 0.00 177.93 179.41 1h6k h ILE 321 N 0.66 1.22 -0.98 0.00 2.04 -0.45 -0.49 117.51 119.51 1h6k h ILE 321 Ca 0.13 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1h6k h ILE 321 Cb 0.44 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1h6k h ILE 321 CO 0.02 0.26 0.65 0.40 0.00 0.00 0.00 178.15 179.48 1h6k h ILE 322 N 0.44 1.23 -0.83 -0.67 2.04 -0.85 -1.56 117.51 117.31 1h6k h ILE 322 Ca 0.12 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1h6k h ILE 322 Cb 0.30 -0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1h6k h ILE 322 CO 0.00 0.24 0.41 0.50 0.00 0.00 0.00 178.15 179.30 1h6k h LYS 323 N 1.31 1.18 0.00 2.37 3.64 -0.46 0.23 116.57 124.83 1h6k h LYS 323 Ca 0.37 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1h6k h LYS 323 Cb -0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 1h6k h LYS 323 CO -0.09 0.89 -0.39 0.77 -2.27 0.00 0.00 179.45 178.36 1h6k h SER 324 N 1.17 0.00 0.00 4.20 0.02 -0.34 -3.36 113.55 115.24 1h6k h SER 324 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1h6k h SER 324 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1h6k h SER 324 CO -0.04 0.39 -0.11 1.41 -1.14 0.00 0.00 176.83 177.35 1h6k n HIS 325 N -3.39 0.00 -0.03 3.45 8.25 -0.66 -4.83 115.22 118.00 1h6k n HIS 325 Ca 0.01 -0.46 0.18 0.00 -0.26 0.00 0.00 57.72 57.19 1h6k n HIS 325 Cb 0.57 -0.07 0.63 0.00 1.12 0.00 0.00 29.99 32.24 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 0.15 -0.07 4.41 5.08 -0.71 -1.65 115.95 123.16 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 0.94 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 1h6k h TRP 326 CO 0.02 0.06 -0.46 0.87 -1.28 0.00 0.00 178.44 177.65 1h6k h LYS 327 N 0.13 0.16 -3.94 0.12 1.57 -1.88 -3.39 116.57 109.34 1h6k h LYS 327 Ca 0.27 -0.08 -0.71 0.00 -1.87 0.00 0.00 60.65 58.26 1h6k h LYS 327 Cb 0.89 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.87 1h6k h LYS 327 CO -0.03 0.59 -0.35 -1.21 -0.57 0.00 0.00 179.45 177.87 1h6k s GLU 328 N -4.02 2.55 0.32 3.15 0.41 -0.62 -4.98 118.70 115.52 1h6k s GLU 328 Ca -0.04 -2.23 0.04 0.00 -0.41 0.00 0.00 54.97 52.34 1h6k s GLU 328 Cb 0.13 -3.82 0.66 0.00 -1.78 0.00 0.00 34.13 29.32 1h6k s GLU 328 CO 0.77 -1.17 1.88 0.07 -0.49 0.00 0.00 175.26 176.32 1h6k h ARG 329 N 7.61 0.85 -0.18 1.61 0.11 -1.76 0.24 114.38 122.86 1h6k h ARG 329 Ca -0.06 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.92 1h6k h ARG 329 Cb 1.01 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 1h6k h ARG 329 CO 0.75 0.56 -0.04 0.87 0.10 0.00 0.00 179.97 182.21 1h6k h LYS 330 N 0.88 0.35 -0.35 0.08 6.56 -1.93 -0.73 116.57 121.43 1h6k h LYS 330 Ca 0.43 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 1h6k h LYS 330 Cb 0.46 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 1h6k h LYS 330 CO -0.19 0.61 0.15 1.15 -2.06 0.00 0.00 179.45 179.10 1h6k h THR 331 N 0.06 1.18 -0.24 -0.16 2.02 -1.75 -0.99 112.91 113.02 1h6k h THR 331 Ca 0.05 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1h6k h THR 331 Cb 0.48 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1h6k h THR 331 CO 0.02 0.19 0.02 0.00 0.37 0.00 0.00 175.52 176.12 1h6k h ALA 333 N 1.20 0.53 -0.86 0.00 0.00 -1.00 -1.23 119.26 117.90 1h6k h ALA 333 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h6k h ALA 333 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1h6k h ALA 333 CO -0.18 -0.08 0.45 0.00 0.00 0.00 0.00 179.25 179.44 1h6k h ALA 334 N 1.19 1.17 -0.34 0.00 0.00 -0.63 -1.31 119.26 119.34 1h6k h ALA 334 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1h6k h ALA 334 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1h6k h ALA 334 CO -0.08 0.65 -0.32 1.96 0.00 0.00 0.00 179.25 181.47 1h6k h GLN 335 N 1.21 0.74 -0.16 0.00 1.08 -0.48 -1.31 115.11 116.19 1h6k h GLN 335 Ca 0.30 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1h6k h GLN 335 Cb 0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1h6k h GLN 335 CO -0.04 0.95 0.04 -0.07 -0.95 0.00 0.00 178.83 178.76 1h6k h LEU 336 N 0.62 0.24 -1.23 1.46 3.38 -0.91 -2.59 115.31 116.29 1h6k h LEU 336 Ca 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1h6k h LEU 336 Cb 0.84 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1h6k h LEU 336 CO 0.07 0.41 -0.06 0.58 0.09 0.00 0.00 178.44 179.53 1h6k h VAL 337 N 0.07 1.20 -0.21 1.22 2.07 -1.06 -2.23 116.25 117.31 1h6k h VAL 337 Ca 0.05 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1h6k h VAL 337 Cb 0.26 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1h6k h VAL 337 CO 0.00 0.28 0.00 -1.54 0.02 0.00 0.00 177.57 176.33 1h6k n SER 338 N -4.26 1.59 -4.63 0.57 3.41 -0.51 -4.91 113.62 104.88 1h6k n SER 338 Ca 0.01 -1.78 -0.52 0.00 -0.26 0.00 0.00 58.87 56.31 1h6k n SER 338 Cb 0.27 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1h6k n SER 338 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h6k n TYR 339 N 0.30 2.05 -2.89 7.33 9.36 -0.84 -4.95 117.16 127.52 1h6k n TYR 339 Ca 0.14 0.24 -0.27 0.00 3.32 0.00 0.00 57.90 61.33 1h6k n TYR 339 Cb 0.30 -2.57 -0.01 0.00 -0.63 0.00 0.00 39.34 36.43 1h6k n TYR 339 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1h6k s PRO 340 N 4.52 3.55 0.18 2.98 0.04 -1.26 -5.10 135.00 139.90 1h6k s PRO 340 Ca 0.99 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 1h6k s PRO 340 Cb -0.85 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 31.27 1h6k s PRO 340 CO 0.55 -0.07 0.55 0.20 0.04 0.00 0.00 177.00 178.27 1h6k s GLY 341 N -3.95 -0.34 0.17 0.56 0.00 -1.26 -4.94 107.32 97.57 1h6k s GLY 341 Ca 0.45 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.15 1h6k s GLY 341 CO 0.40 -0.08 1.72 1.70 0.00 0.00 0.00 173.10 176.85 1h6k h LYS 342 N 2.13 0.92 -5.32 2.90 3.64 -0.98 -3.46 116.57 116.41 1h6k h LYS 342 Ca -0.31 -0.18 -0.49 0.00 -1.27 0.00 0.00 60.65 58.41 1h6k h LYS 342 Cb 1.28 -0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 1h6k h LYS 342 CO 0.38 0.79 -0.62 -0.80 -2.27 0.00 0.00 179.45 176.93 1h6k s ASN 343 N -6.14 2.59 0.13 4.20 0.01 -1.23 -5.02 114.94 109.47 1h6k s ASN 343 Ca -0.13 -1.34 -0.31 0.00 -0.71 0.00 0.00 52.86 50.37 1h6k s ASN 343 Cb 0.13 -0.13 -0.08 0.00 0.41 0.00 0.00 41.25 41.58 1h6k s ASN 343 CO 0.80 -0.54 1.36 -0.75 -1.51 0.00 0.00 177.10 176.46 1h6k s LYS 344 N -3.84 4.34 0.14 -0.60 2.20 -1.26 -5.02 119.74 115.70 1h6k s LYS 344 Ca 0.35 2.05 0.03 0.00 -0.36 0.00 0.00 55.97 58.03 1h6k s LYS 344 Cb 0.08 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1h6k s LYS 344 CO 0.15 -0.38 -0.06 0.96 -0.36 0.00 0.00 175.35 175.66 1h6k s ILE 345 N 0.87 0.85 -1.39 5.43 -4.36 -1.26 -4.83 121.20 116.51 1h6k s ILE 345 Ca 0.62 -1.99 -0.14 0.00 -0.26 0.00 0.00 60.65 58.88 1h6k s ILE 345 Cb -0.36 -1.87 0.07 0.00 1.25 0.00 0.00 42.46 41.54 1h6k s ILE 345 CO 0.32 -0.71 2.03 -0.81 0.24 0.00 0.00 174.94 176.01 1h6k n PRO 346 N -0.16 3.06 -0.31 0.37 -0.04 -1.26 -4.81 135.00 131.85 1h6k n PRO 346 Ca -0.10 -2.94 0.07 0.00 -0.04 0.00 0.00 63.50 60.50 1h6k n PRO 346 Cb 0.61 -3.28 0.28 0.00 -0.04 0.00 0.00 33.50 31.08 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 10.30 0.83 -0.94 1.53 5.85 -1.98 -0.70 115.31 130.20 1h6k h LEU 347 Ca 0.51 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.29 1h6k h LEU 347 Cb 0.70 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1h6k h LEU 347 CO 1.73 0.48 0.61 0.78 -0.34 0.00 0.00 178.44 181.70 1h6k h ASN 348 N 0.92 1.01 -0.33 1.25 2.35 -1.98 1.00 115.58 119.79 1h6k h ASN 348 Ca 0.43 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.15 1h6k h ASN 348 Cb 0.43 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1h6k h ASN 348 CO -0.20 0.69 0.10 1.88 -1.65 0.00 0.00 177.43 178.25 1h6k h TYR 349 N 1.18 0.55 -0.65 1.19 -1.99 -1.55 -1.64 116.97 114.05 1h6k h TYR 349 Ca 0.38 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 61.02 1h6k h TYR 349 Cb 0.02 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1h6k h TYR 349 CO -0.01 0.55 0.28 0.45 -0.00 0.00 0.00 178.16 179.43 1h6k h HIS 350 N 0.38 0.96 0.13 4.88 3.86 -0.89 -0.28 115.15 124.19 1h6k h HIS 350 Ca 0.11 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1h6k h HIS 350 Cb 0.27 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1h6k h HIS 350 CO 0.01 0.75 -0.06 0.82 0.86 0.00 0.00 177.93 180.31 1h6k h ILE 351 N 0.90 0.90 -0.84 2.45 2.04 -0.73 -0.31 117.51 121.92 1h6k h ILE 351 Ca 0.22 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1h6k h ILE 351 Cb 0.17 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1h6k h ILE 351 CO -0.02 0.02 0.44 0.58 0.00 0.00 0.00 178.15 179.17 1h6k h VAL 352 N -0.21 1.25 -0.36 1.67 2.07 -1.07 -1.34 116.25 118.25 1h6k h VAL 352 Ca -0.02 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1h6k h VAL 352 Cb 0.16 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1h6k h VAL 352 CO 0.03 0.29 0.12 -0.08 0.02 0.00 0.00 177.57 177.95 1h6k h GLU 353 N 1.19 0.56 -0.58 1.57 4.81 -0.91 -1.53 114.58 119.68 1h6k h GLU 353 Ca 0.29 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1h6k h GLU 353 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1h6k h GLU 353 CO -0.04 0.57 0.10 0.28 -0.73 0.00 0.00 179.01 179.18 1h6k h VAL 354 N 0.44 1.24 -0.28 0.32 2.07 -0.80 0.29 116.25 119.54 1h6k h VAL 354 Ca 0.12 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1h6k h VAL 354 Cb 0.23 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1h6k h VAL 354 CO -0.01 0.35 0.10 0.40 0.02 0.00 0.00 177.57 178.43 1h6k h ILE 355 N 0.88 1.19 0.00 4.57 2.04 -1.00 -0.75 117.51 124.44 1h6k h ILE 355 Ca 0.18 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1h6k h ILE 355 Cb 0.38 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1h6k h ILE 355 CO 0.01 0.20 -0.39 -0.26 0.00 0.00 0.00 178.15 177.71 1h6k h PHE 356 N 0.29 0.00 -0.84 1.37 0.04 -0.98 -0.27 116.94 116.54 1h6k h PHE 356 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1h6k h PHE 356 Cb 0.22 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1h6k h PHE 356 CO 0.00 0.39 0.45 0.00 -0.60 0.00 0.00 178.31 178.54 1h6k h ALA 357 N 1.61 1.08 -0.00 2.45 0.00 0.09 -0.91 119.26 123.57 1h6k h ALA 357 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1h6k h ALA 357 Cb 0.78 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h6k h ALA 357 CO 0.05 0.60 -0.01 0.93 0.00 0.00 0.00 179.25 180.82 1h6k h GLU 358 N 1.18 0.02 -0.90 0.00 5.08 -0.53 -2.56 114.58 116.86 1h6k h GLU 358 Ca 0.29 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 1h6k h GLU 358 Cb 0.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1h6k h GLU 358 CO -0.04 0.67 0.53 1.25 -1.00 0.00 0.00 179.01 180.42 1h6k h LEU 359 N -0.63 0.76 -1.79 1.33 5.85 -0.98 -1.88 115.31 117.96 1h6k h LEU 359 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1h6k h LEU 359 Cb 0.67 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1h6k h LEU 359 CO 0.00 0.41 0.00 0.49 -0.34 0.00 0.00 178.44 179.00 1h6k n PHE 360 N -4.71 0.43 -1.81 1.25 3.72 -0.36 -4.62 117.46 111.37 1h6k n PHE 360 Ca 0.16 -0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 56.93 1h6k n PHE 360 Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1h6k n PHE 360 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1h6k s GLN 361 N -1.57 4.14 -0.03 -1.08 0.74 -0.71 -4.82 119.66 116.34 1h6k s GLN 361 Ca 0.35 2.54 0.03 0.00 0.05 0.00 0.00 55.36 58.33 1h6k s GLN 361 Cb 0.20 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 1h6k s GLN 361 CO 0.28 -0.60 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.82 1h6k s LEU 362 N -0.60 3.04 0.18 3.68 1.43 -1.26 -2.57 118.68 122.58 1h6k s LEU 362 Ca 0.62 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 1h6k s LEU 362 Cb -0.47 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.15 1h6k s LEU 362 CO 0.48 0.32 1.72 1.55 0.23 0.00 0.00 176.35 180.66 1h6k h PRO 363 N 4.97 0.97 -4.15 1.29 0.13 -1.90 -3.47 132.00 129.85 1h6k h PRO 363 Ca -0.48 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.33 1h6k h PRO 363 Cb 1.17 -0.15 -0.16 0.00 0.13 0.00 0.00 31.00 31.99 1h6k h PRO 363 CO 0.52 0.84 -0.65 0.00 -0.23 0.00 0.00 178.00 178.48 1h6k s ALA 364 N -5.47 0.37 0.70 -0.56 0.00 -1.06 -4.81 121.76 110.93 1h6k s ALA 364 Ca -0.13 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1h6k s ALA 364 Cb 0.13 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1h6k s ALA 364 CO 0.81 -0.35 1.13 -2.14 0.00 0.00 0.00 175.76 175.21 1h6k s PRO 365 N -3.55 2.51 0.50 0.00 0.02 -1.23 -4.70 135.00 128.55 1h6k s PRO 365 Ca 0.03 1.47 0.19 0.00 0.02 0.00 0.00 61.00 62.71 1h6k s PRO 365 Cb 0.05 -1.91 1.25 0.00 0.02 0.00 0.00 34.50 33.91 1h6k s PRO 365 CO -0.09 -1.49 2.08 -1.35 -0.33 0.00 0.00 177.00 175.83 1h6k h PRO 366 N -0.22 0.00 -4.95 5.54 0.11 -1.94 -3.45 132.00 127.09 1h6k h PRO 366 Ca -0.47 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.29 1h6k h PRO 366 Cb 1.26 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1h6k h PRO 366 CO 0.52 0.10 -0.63 -1.01 -0.21 0.00 0.00 178.00 176.77 1h6k s HIS 367 N -4.69 1.53 0.29 0.65 3.76 -1.26 -5.11 115.29 110.45 1h6k s HIS 367 Ca -0.04 -1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 53.49 1h6k s HIS 367 Cb 0.16 -0.90 -0.13 0.00 1.11 0.00 0.00 32.58 32.82 1h6k s HIS 367 CO 0.65 -0.22 1.42 1.51 -0.85 0.00 0.00 174.74 177.25 1h6k n ILE 368 N -0.44 1.31 -0.20 0.60 3.06 -1.26 -4.87 119.36 117.56 1h6k n ILE 368 Ca -0.02 -0.33 -0.01 0.00 -2.50 0.00 0.00 62.75 59.89 1h6k n ILE 368 Cb 0.65 -1.63 0.10 0.00 0.54 0.00 0.00 39.64 39.31 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 3.80 0.30 0.00 9.51 5.19 -1.98 -2.00 116.42 131.25 1h6k h ASP 369 Ca -0.46 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1h6k h ASP 369 Cb 1.27 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1h6k h ASP 369 CO 0.72 0.18 -0.00 1.62 -3.12 0.00 0.00 179.24 178.64 1h6k h VAL 370 N 0.46 0.59 -0.74 -1.35 3.04 -2.01 -2.01 116.25 114.23 1h6k h VAL 370 Ca 0.29 -0.01 0.07 0.00 -1.01 0.00 0.00 66.70 66.05 1h6k h VAL 370 Cb 0.32 1.00 -0.06 0.00 -2.01 0.00 0.00 31.29 30.54 1h6k h VAL 370 CO -0.27 0.00 0.41 -0.03 -1.01 0.00 0.00 177.57 176.68 1h6k h MET 371 N 0.00 0.71 -0.79 4.17 -1.53 -1.72 -1.99 114.93 113.79 1h6k h MET 371 Ca -0.00 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 1h6k h MET 371 Cb 0.00 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 30.85 1h6k h MET 371 CO 0.00 0.47 0.43 1.88 0.14 0.00 0.00 176.91 179.83 1h6k h TYR 372 N 0.74 1.07 -0.03 1.39 0.05 -1.51 0.88 116.97 119.56 1h6k h TYR 372 Ca 0.34 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.12 1h6k h TYR 372 Cb 0.25 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1h6k h TYR 372 CO -0.07 0.74 -0.10 1.15 -1.05 0.00 0.00 178.16 178.83 1h6k h THR 373 N 1.10 0.73 -0.04 -2.88 2.02 -1.44 -1.31 112.91 111.09 1h6k h THR 373 Ca 0.28 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.31 1h6k h THR 373 Cb 0.03 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1h6k h THR 373 CO -0.04 0.00 -0.65 0.71 0.37 0.00 0.00 175.52 175.90 1h6k h THR 374 N -0.16 1.42 -0.41 3.16 1.35 -1.19 -2.54 112.91 114.54 1h6k h THR 374 Ca 0.05 -2.13 0.01 0.00 -0.55 0.00 0.00 66.41 63.78 1h6k h THR 374 Cb 0.23 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1h6k h THR 374 CO -0.12 0.62 0.27 0.25 -0.25 0.00 0.00 175.52 176.29 1h6k h LEU 375 N 0.12 0.46 -1.27 3.87 5.85 -0.58 0.05 115.31 123.82 1h6k h LEU 375 Ca -0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1h6k h LEU 375 Cb 1.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1h6k h LEU 375 CO 0.10 0.33 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.37 1h6k h LEU 376 N 0.54 0.37 -0.29 2.25 3.38 -1.11 0.56 115.31 121.01 1h6k h LEU 376 Ca 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1h6k h LEU 376 Cb -0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1h6k h LEU 376 CO -0.04 0.50 0.00 0.40 0.09 0.00 0.00 178.44 179.40 1h6k h ILE 377 N 0.37 1.26 -0.86 1.22 2.04 -0.98 0.60 117.51 121.15 1h6k h ILE 377 Ca 0.07 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1h6k h ILE 377 Cb 0.39 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1h6k h ILE 377 CO 0.02 0.30 0.45 -0.33 0.00 0.00 0.00 178.15 178.59 1h6k h GLU 378 N 0.31 1.20 -0.46 2.37 4.39 -0.58 -1.57 114.58 120.24 1h6k h GLU 378 Ca 0.08 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1h6k h GLU 378 Cb 0.42 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1h6k h GLU 378 CO 0.01 0.89 0.22 -0.07 -1.16 0.00 0.00 179.01 178.90 1h6k h LEU 379 N 1.20 0.61 -1.04 1.33 3.38 -0.65 -0.81 115.31 119.34 1h6k h LEU 379 Ca 0.30 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1h6k h LEU 379 Cb 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1h6k h LEU 379 CO -0.05 0.58 0.64 0.00 0.09 0.00 0.00 178.44 179.71 1h6k h LYS 381 N 1.27 0.43 0.03 0.00 1.57 -0.95 -2.47 116.57 116.46 1h6k h LYS 381 Ca 0.38 -0.21 -0.22 0.00 -1.87 0.00 0.00 60.65 58.73 1h6k h LYS 381 Cb -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1h6k h LYS 381 CO -0.10 0.76 -0.98 1.25 -0.57 0.00 0.00 179.45 179.80 1h6k h LEU 382 N 0.36 0.22 -5.75 2.94 5.85 -0.47 -3.36 115.31 115.10 1h6k h LEU 382 Ca 0.03 -0.21 -0.55 0.00 0.84 0.00 0.00 57.88 57.99 1h6k h LEU 382 Cb 0.85 -0.07 -0.41 0.00 0.37 0.00 0.00 40.66 41.40 1h6k h LEU 382 CO 0.07 1.08 -0.86 0.00 -0.34 0.00 0.00 178.44 178.38 1h6k n GLN 383 N -3.56 2.10 0.25 1.25 1.13 -0.08 -4.95 117.38 113.53 1h6k n GLN 383 Ca -0.04 -4.17 0.11 0.00 -1.94 0.00 0.00 57.00 50.96 1h6k n GLN 383 Cb 0.88 -1.95 0.67 0.00 0.11 0.00 0.00 30.24 29.96 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 3.32 0.00 -0.01 -1.09 0.11 -1.60 -1.23 132.00 131.50 1h6k h PRO 384 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1h6k h PRO 384 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1h6k h PRO 384 CO 0.68 0.14 -0.12 0.41 -0.21 0.00 0.00 178.00 178.90 1h6k n GLY 385 N -0.77 -0.41 0.00 -0.55 0.00 -1.26 -4.63 105.19 97.57 1h6k n GLY 385 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.36 0.00 -0.05 1.61 3.41 -0.96 -4.94 113.62 112.33 1h6k n SER 386 Ca 0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 1h6k n SER 386 Cb 0.33 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.60 -0.84 1.04 7.12 -1.50 -3.22 115.31 118.50 1h6k h LEU 387 Ca 0.00 -0.57 0.15 0.00 0.13 0.00 0.00 57.88 57.60 1h6k h LEU 387 Cb 0.00 -0.17 -0.10 0.00 -0.53 0.00 0.00 40.66 39.86 1h6k h LEU 387 CO 0.00 1.06 0.42 -0.65 -0.13 0.00 0.00 178.44 179.13 1h6k h PRO 388 N 0.17 0.56 -0.64 5.25 0.11 -1.82 0.05 132.00 135.67 1h6k h PRO 388 Ca -0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1h6k h PRO 388 Cb 0.97 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 1h6k h PRO 388 CO 0.08 0.37 0.19 1.96 -0.21 0.00 0.00 178.00 180.39 1h6k h GLN 389 N 0.57 0.98 -0.37 1.05 7.50 -1.91 0.70 115.11 123.64 1h6k h GLN 389 Ca 0.47 -0.20 -0.05 0.00 0.50 0.00 0.00 58.65 59.37 1h6k h GLN 389 Cb 0.70 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1h6k h GLN 389 CO -0.39 0.85 0.05 0.28 -1.50 0.00 0.00 178.83 178.12 1h6k h VAL 390 N 0.95 1.24 -0.56 -0.54 2.07 -1.18 -0.71 116.25 117.52 1h6k h VAL 390 Ca 0.21 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1h6k h VAL 390 Cb 0.28 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1h6k h VAL 390 CO -0.01 0.29 0.15 0.25 0.02 0.00 0.00 177.57 178.28 1h6k h LEU 391 N 0.46 0.83 -0.73 2.57 5.85 -0.78 0.91 115.31 124.42 1h6k h LEU 391 Ca 0.11 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1h6k h LEU 391 Cb 0.38 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1h6k h LEU 391 CO 0.01 0.83 0.35 0.00 -0.34 0.00 0.00 178.44 179.30 1h6k h ALA 392 N 1.03 0.94 -0.55 1.25 0.00 -0.73 0.84 119.26 122.04 1h6k h ALA 392 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1h6k h ALA 392 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h6k h ALA 392 CO -0.00 0.50 0.16 0.37 0.00 0.00 0.00 179.25 180.27 1h6k h GLN 393 N 1.02 0.86 -0.48 0.00 4.15 -0.80 -1.08 115.11 118.78 1h6k h GLN 393 Ca 0.25 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1h6k h GLN 393 Cb 0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1h6k h GLN 393 CO -0.03 0.80 0.03 0.00 -1.93 0.00 0.00 178.83 177.69 1h6k h ALA 394 N 1.03 1.15 -0.59 3.38 0.00 -0.48 -1.57 119.26 122.18 1h6k h ALA 394 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1h6k h ALA 394 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1h6k h ALA 394 CO -0.00 0.55 0.29 1.15 0.00 0.00 0.00 179.25 181.25 1h6k h THR 395 N 0.73 1.21 -0.58 0.00 2.02 -0.36 0.10 112.91 116.04 1h6k h THR 395 Ca 0.15 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1h6k h THR 395 Cb 0.41 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1h6k h THR 395 CO 0.01 0.23 0.26 -0.08 0.37 0.00 0.00 175.52 176.31 1h6k h GLU 396 N 0.80 0.85 -0.62 6.66 4.57 -0.77 -1.83 114.58 124.25 1h6k h GLU 396 Ca 0.20 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1h6k h GLU 396 Cb 0.10 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1h6k h GLU 396 CO -0.03 0.71 0.22 0.52 -1.18 0.00 0.00 179.01 179.25 1h6k h MET 397 N 0.79 0.94 -0.80 1.92 2.86 -0.92 -1.12 114.93 118.60 1h6k h MET 397 Ca 0.20 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1h6k h MET 397 Cb 0.16 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1h6k h MET 397 CO -0.02 0.82 0.43 -0.07 1.06 0.00 0.00 176.91 179.13 1h6k h LEU 398 N 0.87 1.01 -0.26 1.22 3.38 -0.74 -1.55 115.31 119.24 1h6k h LEU 398 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h6k h LEU 398 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h6k h LEU 398 CO -0.01 0.82 0.12 0.22 0.09 0.00 0.00 178.44 179.68 1h6k h TYR 399 N 1.12 0.38 0.00 1.13 3.20 -1.03 -2.60 116.97 119.16 1h6k h TYR 399 Ca 0.28 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1h6k h TYR 399 Cb 0.05 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1h6k h TYR 399 CO 0.00 0.36 0.00 0.52 -1.64 0.00 0.00 178.16 177.41 1h6k h MET 400 N 0.28 0.00 -0.47 1.82 2.86 -0.84 -2.39 114.93 116.20 1h6k h MET 400 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1h6k h MET 400 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1h6k h MET 400 CO -0.01 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.50 1h6k n ARG 401 N -2.51 3.15 0.24 1.72 1.74 -0.61 -4.67 116.66 115.71 1h6k n ARG 401 Ca 0.01 -2.54 0.09 0.00 -0.77 0.00 0.00 57.85 54.64 1h6k n ARG 401 Cb 0.20 -1.61 0.65 0.00 -1.02 0.00 0.00 32.46 30.68 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 2.88 0.00 -1.70 0.55 3.38 -1.19 -3.22 115.31 116.00 1h6k h LEU 402 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1h6k h LEU 402 Cb 1.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1h6k h LEU 402 CO 0.12 0.00 0.52 0.44 0.09 0.00 0.00 178.44 179.61 1h6k h ASP 403 N 0.00 0.26 -0.08 -0.43 3.32 -1.84 -1.65 116.42 116.01 1h6k h ASP 403 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1h6k h ASP 403 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1h6k h ASP 403 CO -0.00 0.12 0.00 0.35 -1.72 0.00 0.00 179.24 177.99 1h6k n THR 404 N -4.44 1.67 -2.44 0.35 -2.24 -1.22 -4.94 114.28 101.03 1h6k n THR 404 Ca 0.15 -1.79 -0.41 0.00 -2.27 0.00 0.00 64.05 59.73 1h6k n THR 404 Cb 0.65 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.26 4.54 0.25 -0.78 0.00 -0.62 -2.63 119.30 117.79 1h6k s MET 405 Ca 0.25 1.80 -0.30 0.00 0.00 0.00 0.00 55.69 57.45 1h6k s MET 405 Cb 0.21 -3.26 -0.10 0.00 0.00 0.00 0.00 34.83 31.68 1h6k s MET 405 CO 0.04 -0.01 1.45 1.21 0.00 0.00 0.00 175.02 177.72 1h6k s ASN 406 N -0.01 6.64 0.29 1.11 3.84 0.09 -4.79 114.94 122.11 1h6k s ASN 406 Ca 0.51 2.68 0.03 0.00 0.21 0.00 0.00 52.86 56.29 1h6k s ASN 406 Cb -0.31 -2.62 0.75 0.00 -0.55 0.00 0.00 41.25 38.51 1h6k s ASN 406 CO 0.36 -0.72 1.63 0.74 -2.79 0.00 0.00 177.10 176.33 1h6k h THR 407 N 3.55 0.26 -0.87 -5.21 2.02 -1.90 0.35 112.91 111.11 1h6k h THR 407 Ca -0.46 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 66.69 1h6k h THR 407 Cb 1.22 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1h6k h THR 407 CO 0.78 0.03 0.58 0.74 0.37 0.00 0.00 175.52 178.02 1h6k h THR 408 N 0.17 1.16 -0.05 3.16 2.02 -1.90 -1.70 112.91 115.78 1h6k h THR 408 Ca 0.57 -0.38 -0.22 0.00 0.77 0.00 0.00 66.41 67.15 1h6k h THR 408 Cb 1.19 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1h6k h THR 408 CO -0.69 0.20 -0.88 0.00 0.37 0.00 0.00 175.52 174.52 1h6k h VAL 410 N 0.34 1.03 -0.40 0.00 2.07 -0.64 0.24 116.25 118.89 1h6k h VAL 410 Ca -0.07 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1h6k h VAL 410 Cb 1.50 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1h6k h VAL 410 CO 0.16 0.10 0.06 0.44 0.02 0.00 0.00 177.57 178.36 1h6k h ASP 411 N 0.57 -0.04 -0.75 0.57 5.19 -1.32 0.16 116.42 120.81 1h6k h ASP 411 Ca 0.20 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.65 1h6k h ASP 411 Cb 0.04 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1h6k h ASP 411 CO -0.10 0.02 0.32 0.03 -3.12 0.00 0.00 179.24 176.38 1h6k h ARG 412 N 0.18 1.11 -0.39 3.56 3.08 -1.28 0.76 114.38 121.40 1h6k h ARG 412 Ca 0.20 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1h6k h ARG 412 Cb 0.25 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1h6k h ARG 412 CO -0.28 0.89 0.23 0.35 -1.07 0.00 0.00 179.97 180.10 1h6k h PHE 413 N 1.09 0.53 -0.25 3.04 3.57 -0.12 0.15 116.94 124.95 1h6k h PHE 413 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1h6k h PHE 413 Cb 0.18 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1h6k h PHE 413 CO 0.02 0.39 0.14 0.82 -2.23 0.00 0.00 178.31 177.44 1h6k h ILE 414 N 0.51 1.12 -0.47 1.41 2.04 -0.20 0.11 117.51 122.03 1h6k h ILE 414 Ca 0.14 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1h6k h ILE 414 Cb 0.02 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1h6k h ILE 414 CO -0.03 0.12 -0.22 0.78 0.00 0.00 0.00 178.15 178.81 1h6k h ASN 415 N 0.29 0.99 0.33 1.72 2.35 -0.66 -2.06 115.58 118.54 1h6k h ASN 415 Ca 0.09 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1h6k h ASN 415 Cb 0.07 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1h6k h ASN 415 CO -0.01 1.16 -0.16 -0.25 -1.65 0.00 0.00 177.43 176.52 1h6k h TRP 416 N 0.83 -0.41 -0.43 1.19 7.01 -0.56 -2.69 115.95 120.88 1h6k h TRP 416 Ca 0.11 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1h6k h TRP 416 Cb 0.79 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.96 1h6k h TRP 416 CO 0.05 -0.11 0.20 0.35 -2.79 0.00 0.00 178.44 176.15 1h6k h PHE 417 N -0.72 0.63 -0.53 2.65 3.57 -0.78 0.35 116.94 122.10 1h6k h PHE 417 Ca -0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1h6k h PHE 417 Cb 0.49 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1h6k h PHE 417 CO 0.01 0.51 0.31 0.66 -2.23 0.00 0.00 178.31 177.57 1h6k h SER 418 N 0.55 0.64 -0.41 0.41 4.64 -1.49 0.63 113.55 118.53 1h6k h SER 418 Ca 0.15 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1h6k h SER 418 Cb 0.13 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1h6k h SER 418 CO -0.02 0.53 0.07 -0.74 -0.87 0.00 0.00 176.83 175.80 1h6k h HIS 419 N 0.71 0.71 -0.09 4.77 -0.00 -1.10 -2.08 115.15 118.06 1h6k h HIS 419 Ca 0.19 -0.10 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1h6k h HIS 419 Cb 0.01 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.18 1h6k h HIS 419 CO -0.02 0.70 -0.14 1.25 -0.00 0.00 0.00 177.93 179.71 1h6k h HIS 420 N 0.53 -0.36 -0.88 5.26 6.17 -0.05 -1.98 115.15 123.83 1h6k h HIS 420 Ca 0.12 0.02 0.13 0.00 0.71 0.00 0.00 60.37 61.35 1h6k h HIS 420 Cb 0.37 0.17 -0.07 0.00 2.52 0.00 0.00 27.41 30.40 1h6k h HIS 420 CO 0.02 -0.21 0.57 -0.07 0.71 0.00 0.00 177.93 178.95 1h6k h LEU 421 N -0.19 0.68 -2.08 0.26 3.38 -0.69 -0.13 115.31 116.54 1h6k h LEU 421 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h6k h LEU 421 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1h6k h LEU 421 CO -0.21 0.36 0.00 0.77 0.09 0.00 0.00 178.44 179.45 1h6k h SER 422 N 0.73 0.00 0.06 -0.43 4.64 -0.64 0.26 113.55 118.17 1h6k h SER 422 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1h6k h SER 422 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1h6k h SER 422 CO -0.20 0.00 -0.19 0.59 -0.87 0.00 0.00 176.83 176.16 1h6k n ASN 423 N -2.93 1.73 -2.58 4.97 3.02 -0.07 -4.15 115.26 115.25 1h6k n ASN 423 Ca -0.01 -1.39 -0.14 0.00 -0.03 0.00 0.00 54.58 53.00 1h6k n ASN 423 Cb 0.17 0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.07 1.94 -2.59 3.10 3.72 -0.47 -4.97 117.46 118.26 1h6k n PHE 424 Ca 0.14 -2.76 -0.15 0.00 -0.05 0.00 0.00 57.45 54.63 1h6k n PHE 424 Cb 0.42 -0.27 -0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.30 -2.50 -3.41 -1.08 6.02 -1.18 -1.96 117.38 112.97 1h6k n GLN 425 Ca 0.20 0.62 -0.25 0.00 -0.01 0.00 0.00 57.00 57.56 1h6k n GLN 425 Cb 0.78 -5.25 0.02 0.00 1.02 0.00 0.00 30.24 26.81 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 -3.56 -1.99 -3.39 1.08 3.72 0.79 -4.94 117.46 109.18 1h6k n PHE 426 Ca -0.13 0.60 -0.38 0.00 -0.05 0.00 0.00 57.45 57.49 1h6k n PHE 426 Cb 0.61 -3.67 -0.08 0.00 -0.94 0.00 0.00 39.48 35.40 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 -6.09 4.13 -0.03 -1.08 0.52 -0.83 -4.97 118.95 110.60 1h6k s ARG 427 Ca 0.44 0.16 -0.18 0.00 -0.52 0.00 0.00 55.73 55.63 1h6k s ARG 427 Cb -0.22 -3.57 0.03 0.00 0.52 0.00 0.00 34.95 31.71 1h6k s ARG 427 CO 0.55 -0.11 0.39 -0.46 0.02 0.00 0.00 175.30 175.69 1h6k s TRP 428 N 1.54 -0.30 -1.30 -0.53 -0.11 -1.26 -5.01 118.94 111.98 1h6k s TRP 428 Ca 0.18 0.50 -0.13 0.00 1.22 0.00 0.00 56.10 57.87 1h6k s TRP 428 Cb -0.15 0.17 0.13 0.00 -1.50 0.00 0.00 33.47 32.12 1h6k s TRP 428 CO 0.08 -0.43 1.79 -1.13 -4.62 0.00 0.00 176.95 172.65 1h6k n SER 429 N 1.30 4.89 -0.14 5.86 3.41 -1.26 -4.82 113.62 122.85 1h6k n SER 429 Ca -0.21 -2.99 0.14 0.00 -0.26 0.00 0.00 58.87 55.56 1h6k n SER 429 Cb 0.56 -1.58 0.50 0.00 -0.26 0.00 0.00 64.21 63.43 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 6.49 0.47 -0.07 7.33 4.06 -1.97 -1.19 115.95 131.07 1h6k h TRP 430 Ca 0.41 0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.40 1h6k h TRP 430 Cb 0.74 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1h6k h TRP 430 CO 1.27 0.19 0.13 1.05 -3.56 0.00 0.00 178.44 177.53 1h6k h GLU 431 N 0.42 0.00 0.00 0.49 9.09 -2.00 0.33 114.58 122.91 1h6k h GLU 431 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.75 1h6k h GLU 431 Cb 0.75 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1h6k h GLU 431 CO -0.11 0.00 -0.01 -0.44 0.05 0.00 0.00 179.01 178.50 1h6k h ASP 432 N 0.00 0.00 -0.28 3.06 3.32 -1.63 -2.40 116.42 118.50 1h6k h ASP 432 Ca 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1h6k h ASP 432 Cb 0.29 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1h6k h ASP 432 CO -0.00 0.01 -0.07 0.79 -1.72 0.00 0.00 179.24 178.25 1h6k n TRP 433 N -3.40 0.91 0.33 4.55 8.01 0.12 -4.67 117.44 123.27 1h6k n TRP 433 Ca -0.03 -1.35 0.21 0.00 -1.31 0.00 0.00 57.50 55.01 1h6k n TRP 433 Cb 0.10 -0.41 1.13 0.00 -2.01 0.00 0.00 31.31 30.13 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 1.13 0.00 -0.06 -0.99 0.02 -1.46 -2.45 113.55 109.73 1h6k h SER 434 Ca 0.13 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1h6k h SER 434 Cb 1.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1h6k h SER 434 CO 0.29 0.00 0.16 -2.24 -1.14 0.00 0.00 176.83 173.90 1h6k h ASP 435 N 0.00 0.00 1.19 3.07 2.03 -1.86 -1.34 116.42 119.51 1h6k h ASP 435 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1h6k h ASP 435 Cb 0.01 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1h6k h ASP 435 CO -0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 179.24 178.09 1h6k h LEU 437 N 0.00 0.21 -2.73 0.00 3.38 -1.45 -2.84 115.31 111.87 1h6k h LEU 437 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h6k h LEU 437 Cb 0.74 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1h6k h LEU 437 CO 0.02 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.44 1h6k n SER 438 N -4.21 3.94 -4.94 -0.43 3.41 -1.25 -4.95 113.62 105.19 1h6k n SER 438 Ca -0.01 -2.00 -0.25 0.00 -0.26 0.00 0.00 58.87 56.36 1h6k n SER 438 Cb 0.32 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.02 3.50 -0.03 4.33 -0.21 -1.07 -5.02 119.66 120.14 1h6k s GLN 439 Ca 0.49 -0.26 -0.36 0.00 0.02 0.00 0.00 55.36 55.24 1h6k s GLN 439 Cb 0.25 -2.64 -0.15 0.00 1.00 0.00 0.00 33.01 31.48 1h6k s GLN 439 CO 0.33 0.12 1.61 -3.47 -2.12 0.00 0.00 175.29 171.76 1h6k n ASP 440 N -1.76 2.53 0.31 5.90 -0.08 -1.26 -4.81 116.55 117.37 1h6k n ASP 440 Ca -0.04 1.07 0.16 0.00 -1.51 0.00 0.00 54.79 54.47 1h6k n ASP 440 Cb 0.56 -1.27 0.86 0.00 2.34 0.00 0.00 41.12 43.61 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 6.49 0.00 -0.00 -0.67 0.11 -1.95 0.19 132.00 136.18 1h6k h PRO 441 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h6k h PRO 441 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1h6k h PRO 441 CO 0.88 0.00 -0.24 0.39 -0.21 0.00 0.00 178.00 178.83 1h6k n GLU 442 N -2.82 0.18 -1.97 1.05 1.02 -1.26 -3.95 120.64 112.89 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 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.87 5.14 0.24 1.62 0.01 0.68 -4.81 113.70 113.72 1h6k s SER 443 Ca 0.16 2.35 -0.05 0.00 1.31 0.00 0.00 55.95 59.72 1h6k s SER 443 Cb 0.19 -2.59 0.45 0.00 0.21 0.00 0.00 66.02 64.27 1h6k s SER 443 CO 0.59 -1.62 1.70 -0.65 0.41 0.00 0.00 173.24 173.66 1h6k h PRO 444 N 0.77 0.30 0.89 12.44 0.11 -1.89 -1.94 132.00 142.68 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 1.29 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1h6k h PRO 444 CO 0.55 0.20 -0.43 0.87 -0.21 0.00 0.00 178.00 178.98 1h6k h LYS 445 N 0.31 -1.16 -0.46 1.05 1.57 -1.91 0.46 116.57 116.44 1h6k h LYS 445 Ca 0.41 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1h6k h LYS 445 Cb 0.67 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1h6k h LYS 445 CO -0.47 -0.77 0.29 -1.00 -0.57 0.00 0.00 179.45 176.93 1h6k h PRO 446 N -1.31 0.60 -0.51 3.15 0.13 -1.77 -1.59 132.00 130.70 1h6k h PRO 446 Ca -0.12 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1h6k h PRO 446 Cb 0.92 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1h6k h PRO 446 CO 0.20 0.41 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.10 1h6k h LYS 447 N 0.62 0.95 -0.32 0.86 3.64 -1.26 -1.00 116.57 120.06 1h6k h LYS 447 Ca 0.17 -0.33 0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1h6k h LYS 447 Cb -0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1h6k h LYS 447 CO -0.03 0.99 0.11 0.35 -2.27 0.00 0.00 179.45 178.59 1h6k h PHE 448 N 0.81 0.19 -0.20 1.91 3.57 -0.29 0.38 116.94 123.31 1h6k h PHE 448 Ca 0.14 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1h6k h PHE 448 Cb 0.60 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1h6k h PHE 448 CO 0.04 0.08 0.11 0.28 -2.23 0.00 0.00 178.31 176.59 1h6k h VAL 449 N 0.24 1.11 -0.43 1.41 2.07 -1.04 0.79 116.25 120.41 1h6k h VAL 449 Ca 0.14 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1h6k h VAL 449 Cb 0.12 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1h6k h VAL 449 CO -0.15 0.10 0.23 0.03 0.02 0.00 0.00 177.57 177.80 1h6k h ARG 450 N 0.22 0.44 -0.58 1.57 3.08 -0.87 -0.31 114.38 117.93 1h6k h ARG 450 Ca 0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1h6k h ARG 450 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1h6k h ARG 450 CO -0.01 0.29 0.06 0.93 -1.07 0.00 0.00 179.97 180.17 1h6k h GLU 451 N 0.46 0.95 -0.35 0.04 4.39 -0.54 -0.85 114.58 118.67 1h6k h GLU 451 Ca 0.18 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1h6k h GLU 451 Cb 0.07 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1h6k h GLU 451 CO -0.11 0.90 0.15 0.28 -1.16 0.00 0.00 179.01 179.07 1h6k h VAL 452 N 0.89 1.18 -0.28 3.13 2.07 -0.41 -0.09 116.25 122.75 1h6k h VAL 452 Ca 0.18 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1h6k h VAL 452 Cb 0.44 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1h6k h VAL 452 CO 0.02 0.20 -0.16 -0.07 0.02 0.00 0.00 177.57 177.57 1h6k h LEU 453 N 0.43 0.47 -0.25 2.57 3.38 -0.82 0.29 115.31 121.38 1h6k h LEU 453 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1h6k h LEU 453 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1h6k h LEU 453 CO -0.01 0.65 0.09 -0.08 0.09 0.00 0.00 178.44 179.19 1h6k h GLU 454 N 0.44 0.37 -0.55 1.13 4.81 -0.89 -1.07 114.58 118.82 1h6k h GLU 454 Ca 0.08 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1h6k h GLU 454 Cb 0.54 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1h6k h GLU 454 CO 0.03 0.42 0.20 0.87 -0.73 0.00 0.00 179.01 179.81 1h6k h LYS 455 N 0.25 0.81 -0.61 1.92 1.79 -0.16 -2.35 116.57 118.22 1h6k h LYS 455 Ca 0.08 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1h6k h LYS 455 Cb 0.19 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1h6k h LYS 455 CO -0.01 0.68 0.25 0.00 -1.08 0.00 0.00 179.45 179.30 1h6k h MET 457 N 0.84 0.85 0.00 0.00 1.85 -0.77 -1.42 114.93 116.27 1h6k h MET 457 Ca 0.20 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.23 1h6k h MET 457 Cb 0.19 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.02 1h6k h MET 457 CO -0.02 0.56 -0.06 0.00 -0.40 0.00 0.00 176.91 176.99 1h6k h ARG 458 N 0.87 0.00 -0.60 0.39 3.08 -1.03 0.40 114.38 117.49 1h6k h ARG 458 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1h6k h ARG 458 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h6k h ARG 458 CO -0.06 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1h6k n LEU 459 N -3.53 3.88 0.00 3.04 4.77 -0.59 -4.99 117.00 119.58 1h6k n LEU 459 Ca -0.02 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1h6k n LEU 459 Cb 0.18 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1h6k n LEU 459 CO 0.27 0.87 0.00 -0.24 -1.33 0.00 0.00 177.39 176.97 1h6k n SER 460 N 1.16 2.27 -4.18 -1.43 2.88 0.13 -5.08 113.62 109.37 1h6k n SER 460 Ca 0.21 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.60 1h6k n SER 460 Cb 0.64 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 1h6k n SER 460 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1h6k s TYR 461 N 0.67 1.11 0.12 0.66 2.02 -1.24 -4.90 117.35 115.79 1h6k s TYR 461 Ca 0.00 -0.61 -0.25 0.00 -0.37 0.00 0.00 57.07 55.84 1h6k s TYR 461 Cb 0.00 -0.61 -0.06 0.00 -0.40 0.00 0.00 41.96 40.90 1h6k s TYR 461 CO 0.00 0.02 1.65 1.25 -1.57 0.00 0.00 175.55 176.90 1h6k h HIS 462 N 3.68 -0.61 -0.28 2.71 -0.00 -1.98 -2.08 115.15 116.59 1h6k h HIS 462 Ca -0.38 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 59.90 1h6k h HIS 462 Cb 1.19 0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.86 1h6k h HIS 462 CO 0.64 -0.32 -0.29 0.37 -0.00 0.00 0.00 177.93 178.32 1h6k h GLN 463 N -0.37 0.58 -0.11 5.26 5.75 -1.98 -0.81 115.11 123.43 1h6k h GLN 463 Ca 0.06 -0.25 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1h6k h GLN 463 Cb 0.44 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1h6k h GLN 463 CO -0.20 0.81 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.66 1h6k h ARG 464 N 0.50 -0.03 -0.39 1.69 1.12 -1.94 -0.02 114.38 115.32 1h6k h ARG 464 Ca 0.06 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.85 1h6k h ARG 464 Cb 0.76 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 1h6k h ARG 464 CO 0.06 -0.02 -0.10 0.82 -3.11 0.00 0.00 179.97 177.62 1h6k h ILE 465 N -0.03 1.28 -0.46 1.20 1.08 -1.19 -2.14 117.51 117.25 1h6k h ILE 465 Ca 0.06 -1.19 0.10 0.00 -0.39 0.00 0.00 64.86 63.44 1h6k h ILE 465 Cb 0.12 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1h6k h ILE 465 CO -0.13 0.40 0.32 0.25 -0.69 0.00 0.00 178.15 178.29 1h6k h LEU 466 N 0.56 0.17 -0.05 1.44 5.85 -0.88 -1.14 115.31 121.27 1h6k h LEU 466 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1h6k h LEU 466 Cb 0.62 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1h6k h LEU 466 CO 0.04 0.11 -0.21 0.47 -0.34 0.00 0.00 178.44 178.50 1h6k n ASP 467 N -4.45 0.28 0.07 1.25 8.00 -0.04 -3.85 116.55 117.81 1h6k n ASP 467 Ca 0.07 0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.71 1h6k n ASP 467 Cb 0.39 -0.13 0.29 0.00 -0.02 0.00 0.00 41.12 41.65 1h6k n ASP 467 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1h6k n ILE 468 N -1.40 0.42 -4.08 0.53 -5.35 -0.43 -4.89 119.36 104.16 1h6k n ILE 468 Ca 0.08 -0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.07 1h6k n ILE 468 Cb 0.33 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.87 1h6k n ILE 468 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1h6k s VAL 469 N -3.12 4.62 0.64 7.28 -7.23 -1.25 -4.88 120.40 116.46 1h6k s VAL 469 Ca 0.09 -1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 1h6k s VAL 469 Cb 0.13 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 1h6k s VAL 469 CO 0.66 -0.27 1.15 -2.84 -0.31 0.00 0.00 175.10 173.48 1h6k s PRO 470 N -3.65 2.82 0.44 4.82 0.02 -1.26 -4.86 135.00 133.33 1h6k s PRO 470 Ca 0.33 1.58 0.24 0.00 0.02 0.00 0.00 61.00 63.16 1h6k s PRO 470 Cb -0.09 -1.94 1.24 0.00 0.02 0.00 0.00 34.50 33.74 1h6k s PRO 470 CO 0.25 -1.27 1.77 -1.35 -0.33 0.00 0.00 177.00 176.08 1h6k h PRO 471 N 0.36 0.26 0.00 5.54 0.11 -1.98 0.23 132.00 136.51 1h6k h PRO 471 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h6k h PRO 471 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h6k h PRO 471 CO 0.54 0.17 -0.02 1.79 -0.21 0.00 0.00 178.00 180.27 1h6k h THR 472 N 0.27 0.19 -0.02 -1.15 1.35 -2.03 -2.54 112.91 108.99 1h6k h THR 472 Ca 0.60 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1h6k h THR 472 Cb 1.78 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1h6k h THR 472 CO -0.23 0.02 -0.39 0.49 -0.25 0.00 0.00 175.52 175.16 1h6k n PHE 473 N -3.32 0.00 -0.31 4.73 3.01 0.79 -4.64 117.46 117.73 1h6k n PHE 473 Ca -0.02 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.62 1h6k n PHE 473 Cb 0.14 -0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.05 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 2.78 0.55 0.46 4.37 4.64 -1.42 0.32 113.55 125.26 1h6k h SER 474 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1h6k h SER 474 Cb 0.79 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1h6k h SER 474 CO 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 1h6k n ALA 475 N -2.44 1.93 1.04 5.18 0.00 -1.26 -2.15 120.51 122.81 1h6k n ALA 475 Ca 0.23 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1h6k n ALA 475 Cb 0.72 -1.30 0.22 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.37 0.67 -4.78 0.00 4.32 0.11 -4.92 117.00 111.03 1h6k n LEU 476 Ca 0.07 -0.11 -0.36 0.00 -0.02 0.00 0.00 56.01 55.59 1h6k n LEU 476 Cb 0.17 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1h6k n LEU 476 CO 0.15 0.15 0.76 0.00 -1.22 0.00 0.00 177.39 177.23 1h6k s PRO 478 N -2.81 2.42 0.58 0.00 0.04 -1.26 -5.00 135.00 128.96 1h6k s PRO 478 Ca 0.63 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 1h6k s PRO 478 Cb -0.22 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1h6k s PRO 478 CO 0.27 -1.59 1.04 -1.54 0.04 0.00 0.00 177.00 175.23 1h6k s SER 479 N -2.24 5.97 0.10 6.66 1.04 -1.26 -4.97 113.70 118.99 1h6k s SER 479 Ca 0.71 1.77 -0.31 0.00 0.48 0.00 0.00 55.95 58.60 1h6k s SER 479 Cb -0.26 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.24 1h6k s SER 479 CO 0.43 -1.04 1.76 0.21 0.98 0.00 0.00 173.24 175.58 1h6k s ASN 480 N -2.83 6.50 -0.75 7.02 2.47 -1.26 -4.84 114.94 121.25 1h6k s ASN 480 Ca 0.63 2.64 -0.16 0.00 0.42 0.00 0.00 52.86 56.39 1h6k s ASN 480 Cb -0.15 -2.56 -0.12 0.00 -1.45 0.00 0.00 41.25 36.96 1h6k s ASN 480 CO 0.35 -0.96 1.93 -0.81 -3.72 0.00 0.00 177.10 173.90 1h6k n PRO 481 N 5.67 1.57 -3.48 0.43 -0.04 -1.25 -4.88 135.00 133.01 1h6k n PRO 481 Ca 0.17 -1.62 -0.37 0.00 -0.04 0.00 0.00 63.50 61.63 1h6k n PRO 481 Cb 0.39 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.55 5.00 0.47 0.52 -4.23 -1.26 -4.74 115.64 115.95 1h6k s THR 482 Ca 0.49 0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 61.59 1h6k s THR 482 Cb 0.12 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.17 1h6k s THR 482 CO 0.07 0.52 1.36 0.00 -0.54 0.00 0.00 174.62 176.03 1h6k s ILE 484 N -1.27 2.37 -0.23 0.00 1.01 -0.35 -5.06 121.20 117.67 1h6k s ILE 484 Ca 0.63 -1.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1h6k s ILE 484 Cb -0.40 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1h6k s ILE 484 CO 0.51 0.03 0.14 -0.47 0.00 0.00 0.00 174.94 175.15 1h6k s TYR 485 N 1.17 3.31 0.06 3.97 6.04 -1.26 -4.39 117.35 126.26 1h6k s TYR 485 Ca -0.06 0.19 0.18 0.00 0.04 0.00 0.00 57.07 57.42 1h6k s TYR 485 Cb -0.19 -2.23 0.50 0.00 -1.04 0.00 0.00 41.96 39.01 1h6k s TYR 485 CO -0.05 0.09 1.65 -0.22 -1.54 0.00 0.00 175.55 175.48 1h6k h LYS 486 N 7.31 0.00 -0.72 4.97 3.64 -1.95 -3.31 116.57 126.51 1h6k h LYS 486 Ca -0.38 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.48 1h6k h LYS 486 Cb 1.17 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.61 1h6k h LYS 486 CO 0.67 0.41 -0.59 0.66 -2.27 0.00 0.00 179.45 178.33 1h6k n TYR 487 N -3.42 2.59 -2.15 1.91 4.02 -1.26 -4.69 117.16 114.17 1h6k n TYR 487 Ca 0.00 -2.25 0.00 0.00 -0.01 0.00 0.00 57.90 55.65 1h6k n TYR 487 Cb 0.58 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 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 -0.77 0.70 3.21 2.72 0.00 -1.25 -4.87 105.19 104.93 1h6k n GLY 488 Ca 0.44 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.87 2.63 0.00 1.61 10.43 -1.26 -1.56 116.55 125.53 1h6k n ASP 489 Ca 0.00 -2.68 0.00 0.00 2.57 0.00 0.00 54.79 54.68 1h6k n ASP 489 Cb 0.00 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 41.72 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 7.30 0.00 -3.07 -1.24 0.00 -1.26 -5.14 120.64 117.23 1h6k n GLU 490 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 57.27 1h6k n GLU 490 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.80 1h6k n GLU 490 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1h6k s SER 491 N 0.00 7.19 0.14 4.31 1.04 -0.60 -5.03 113.70 120.74 1h6k s SER 491 Ca 0.00 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.62 1h6k s SER 491 Cb 0.00 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 1h6k s SER 491 CO 0.00 0.12 1.16 -0.94 0.98 0.00 0.00 173.24 174.57 1h6k s SER 492 N -1.41 7.14 0.00 7.02 1.04 -1.26 -4.89 113.70 121.35 1h6k s SER 492 Ca 0.39 2.11 0.08 0.00 0.48 0.00 0.00 55.95 59.00 1h6k s SER 492 Cb -0.19 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 63.79 1h6k s SER 492 CO 0.23 -0.36 0.87 -0.46 0.98 0.00 0.00 173.24 174.51 1h6k n ASN 493 N 2.96 0.00 -0.47 7.02 2.04 -1.26 -2.10 115.26 123.45 1h6k n ASN 493 Ca 0.05 -0.42 0.05 0.00 -0.44 0.00 0.00 54.58 53.83 1h6k n ASN 493 Cb 0.46 0.00 0.17 0.00 -2.53 0.00 0.00 39.78 37.88 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 -0.87 1.37 -4.76 0.53 3.41 -1.26 -4.75 113.62 107.29 1h6k n SER 494 Ca 0.06 -1.93 -0.40 0.00 -0.26 0.00 0.00 58.87 56.34 1h6k n SER 494 Cb 0.03 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.11 4.54 -0.24 1.04 1.43 -0.89 -4.98 118.68 118.48 1h6k s LEU 495 Ca 0.20 1.58 -0.38 0.00 -1.03 0.00 0.00 54.13 54.50 1h6k s LEU 495 Cb 0.10 -3.28 -0.14 0.00 0.03 0.00 0.00 46.19 42.90 1h6k s LEU 495 CO 0.14 0.13 1.83 -2.65 0.23 0.00 0.00 176.35 176.04 1h6k n PRO 496 N 2.05 1.42 -0.98 1.29 -0.02 -1.26 -0.48 135.00 137.01 1h6k n PRO 496 Ca -0.04 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1h6k n PRO 496 Cb 0.49 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.52 0.66 0.28 -1.23 0.00 -1.26 -4.91 105.19 103.25 1h6k n GLY 497 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.28 -0.52 1.61 2.76 -1.07 0.32 115.15 117.96 1h6k h HIS 498 Ca 0.00 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1h6k h HIS 498 Cb 0.05 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1h6k h HIS 498 CO 0.03 -0.30 0.29 0.66 -1.30 0.00 0.00 177.93 177.30 1h6k h SER 499 N 0.03 0.65 -0.71 3.26 4.64 -1.86 -2.24 113.55 117.32 1h6k h SER 499 Ca 0.38 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1h6k h SER 499 Cb 0.61 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1h6k h SER 499 CO -0.74 0.56 0.37 0.58 -0.87 0.00 0.00 176.83 176.73 1h6k h VAL 500 N 0.70 1.22 -0.74 0.95 2.07 -1.49 -1.64 116.25 117.32 1h6k h VAL 500 Ca 0.18 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.24 1h6k h VAL 500 Cb 0.05 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 1h6k h VAL 500 CO -0.03 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.14 1h6k h ALA 501 N 1.18 1.03 -0.45 1.67 0.00 -0.64 -0.86 119.26 121.19 1h6k h ALA 501 Ca 0.25 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1h6k h ALA 501 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1h6k h ALA 501 CO -0.04 -0.15 0.29 -0.07 0.00 0.00 0.00 179.25 179.29 1h6k h LEU 502 N 0.50 0.50 -0.55 0.00 3.38 -0.73 -1.18 115.31 117.24 1h6k h LEU 502 Ca 0.39 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1h6k h LEU 502 Cb 0.54 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1h6k h LEU 502 CO -0.35 0.36 0.27 0.00 0.09 0.00 0.00 178.44 178.81 1h6k h LEU 504 N 0.74 0.23 -0.45 0.00 3.38 -0.81 0.44 115.31 118.83 1h6k h LEU 504 Ca 0.19 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.31 1h6k h LEU 504 Cb 0.11 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1h6k h LEU 504 CO -0.02 0.15 -0.01 0.00 0.09 0.00 0.00 178.44 178.64 1h6k h ALA 505 N 1.37 0.41 -0.22 1.53 0.00 -0.52 0.70 119.26 122.54 1h6k h ALA 505 Ca 0.28 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1h6k h ALA 505 Cb 0.31 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1h6k h ALA 505 CO -0.27 -0.40 0.02 0.28 0.00 0.00 0.00 179.25 178.88 1h6k h VAL 506 N 0.10 1.24 -0.65 0.00 2.07 -0.61 -1.91 116.25 116.49 1h6k h VAL 506 Ca 0.23 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1h6k h VAL 506 Cb 0.33 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1h6k h VAL 506 CO -0.39 0.25 0.35 0.00 0.02 0.00 0.00 177.57 177.80 1h6k h ALA 507 N 0.82 0.87 0.20 1.67 0.00 0.11 -0.70 119.26 122.22 1h6k h ALA 507 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1h6k h ALA 507 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h6k h ALA 507 CO 0.01 0.01 -0.09 0.74 0.00 0.00 0.00 179.25 179.91 1h6k h PHE 508 N 0.64 -0.25 -0.01 0.00 0.05 0.46 -3.03 116.94 114.81 1h6k h PHE 508 Ca 0.30 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 62.11 1h6k h PHE 508 Cb 0.22 0.08 -0.05 0.00 2.00 0.00 0.00 35.95 38.20 1h6k h PHE 508 CO -0.09 0.03 -0.31 0.87 -0.18 0.00 0.00 178.31 178.63 1h6k h LYS 509 N -0.51 -0.44 -1.01 1.51 1.57 -1.01 -1.29 116.57 115.38 1h6k h LYS 509 Ca -0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h6k h LYS 509 Cb 0.38 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1h6k h LYS 509 CO 0.04 -0.30 0.00 -1.13 -0.57 0.00 0.00 179.45 177.50 1h6k n SER 510 N -5.41 1.97 -1.34 0.86 3.41 -0.30 -4.95 113.62 107.86 1h6k n SER 510 Ca -0.05 -1.83 0.16 0.00 -0.26 0.00 0.00 58.87 56.90 1h6k n SER 510 Cb 0.32 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.33 -3.11 0.00 4.33 4.81 -0.49 -5.00 118.16 119.04 1h6k n LYS 511 Ca 0.00 2.54 0.00 0.00 -0.87 0.00 0.00 58.31 59.98 1h6k n LYS 511 Cb 0.36 -3.63 0.00 0.00 0.02 0.00 0.00 35.03 31.78 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 -4.14 0.00 -0.97 3.14 0.00 -1.24 -4.60 120.51 112.70 1h6k n ALA 512 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1h6k n ALA 512 Cb 0.64 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.21 2.50 0.22 0.00 -1.32 -1.26 -4.89 115.64 110.68 1h6k s THR 513 Ca 0.00 0.16 -0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1h6k s THR 513 Cb 0.00 -2.45 0.17 0.00 -1.51 0.00 0.00 72.50 68.70 1h6k s THR 513 CO 0.00 -0.21 1.82 0.78 -2.21 0.00 0.00 174.62 174.80 1h6k h ASN 514 N -1.76 0.64 -0.94 8.08 -0.26 -2.00 -2.07 115.58 117.27 1h6k h ASN 514 Ca -0.49 0.03 0.10 0.00 -0.56 0.00 0.00 56.30 55.38 1h6k h ASN 514 Cb 1.28 -0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 38.36 1h6k h ASN 514 CO 0.50 0.41 0.58 0.44 -1.06 0.00 0.00 177.43 178.29 1h6k h ASP 515 N 0.77 0.86 -0.90 5.81 3.45 -1.99 0.28 116.42 124.69 1h6k h ASP 515 Ca 0.33 0.04 0.06 0.00 0.43 0.00 0.00 57.03 57.89 1h6k h ASP 515 Cb 0.20 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 38.78 1h6k h ASP 515 CO -0.18 0.48 0.59 -0.33 -1.57 0.00 0.00 179.24 178.23 1h6k h GLU 516 N 0.96 1.00 -0.12 3.56 5.08 -1.72 0.70 114.58 124.03 1h6k h GLU 516 Ca 0.45 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1h6k h GLU 516 Cb 0.39 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1h6k h GLU 516 CO -0.24 0.66 -0.36 0.82 -1.00 0.00 0.00 179.01 178.89 1h6k h ILE 517 N 1.03 1.38 -0.23 3.13 5.03 -0.90 -2.53 117.51 124.42 1h6k h ILE 517 Ca 0.39 -1.67 0.06 0.00 -0.12 0.00 0.00 64.86 63.51 1h6k h ILE 517 Cb 0.19 2.12 -0.06 0.00 -3.03 0.00 0.00 36.82 36.05 1h6k h ILE 517 CO -0.14 0.50 -0.13 -0.26 -0.68 0.00 0.00 178.15 177.43 1h6k h PHE 518 N 0.04 -0.32 -0.66 1.37 0.04 -0.69 0.90 116.94 117.61 1h6k h PHE 518 Ca -0.01 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.93 1h6k h PHE 518 Cb 0.98 0.18 -0.11 0.00 2.20 0.00 0.00 35.95 39.20 1h6k h PHE 518 CO 0.11 -0.20 0.06 1.03 -0.60 0.00 0.00 178.31 178.71 1h6k h SER 519 N -0.11 -0.19 -0.27 2.17 0.87 -0.84 -1.14 113.55 114.04 1h6k h SER 519 Ca 0.13 0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1h6k h SER 519 Cb 0.31 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1h6k h SER 519 CO -0.30 -0.09 -0.31 0.40 -0.53 0.00 0.00 176.83 175.99 1h6k h ILE 520 N 0.16 1.28 0.00 2.23 2.04 -0.84 -3.05 117.51 119.33 1h6k h ILE 520 Ca 0.36 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1h6k h ILE 520 Cb 0.59 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1h6k h ILE 520 CO -0.53 0.48 0.00 -0.07 0.00 0.00 0.00 178.15 178.03 1h6k h LEU 521 N 0.66 0.00 -0.94 1.44 3.38 0.39 -2.56 115.31 117.68 1h6k h LEU 521 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1h6k h LEU 521 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1h6k h LEU 521 CO 0.07 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.71 1h6k h LYS 522 N 0.00 0.00 -0.24 1.13 1.57 -1.32 -2.58 116.57 115.13 1h6k h LYS 522 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h6k h LYS 522 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1h6k h LYS 522 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1h6k n ASP 523 N -2.60 0.80 -4.69 0.86 10.43 -0.97 -4.80 116.55 115.59 1h6k n ASP 523 Ca 0.02 -2.02 -0.36 0.00 2.57 0.00 0.00 54.79 55.00 1h6k n ASP 523 Cb 0.28 -0.15 -0.09 0.00 1.84 0.00 0.00 41.12 43.00 1h6k n ASP 523 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1h6k s VAL 524 N -1.76 5.38 0.00 2.53 1.01 -0.97 -4.98 120.40 121.61 1h6k s VAL 524 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1h6k s VAL 524 Cb 0.04 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1h6k s VAL 524 CO 0.05 0.38 0.00 -0.81 0.00 0.00 0.00 175.10 174.72 1h6k n PRO 525 N 3.97 0.00 -3.02 2.72 -0.04 -1.26 -4.97 135.00 132.40 1h6k n PRO 525 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1h6k n PRO 525 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1h6k n PRO 525 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1h6k n ASN 526 N 0.00 0.00 0.00 3.54 2.85 -1.26 -4.93 115.26 115.46 1h6k n ASN 526 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1h6k n ASN 526 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1h6k n ASN 526 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1h6k n PHE 539 N 0.05 0.00 -3.89 1.20 7.35 -1.26 -5.08 117.46 115.83 1h6k n PHE 539 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 1h6k n PHE 539 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1h6k n PHE 539 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1h6k s ASN 540 N 0.00 4.35 0.28 -2.13 2.47 -1.26 -5.01 114.94 113.64 1h6k s ASN 540 Ca 0.00 -1.82 0.01 0.00 0.42 0.00 0.00 52.86 51.47 1h6k s ASN 540 Cb 0.00 -1.26 0.53 0.00 -1.45 0.00 0.00 41.25 39.07 1h6k s ASN 540 CO 0.00 -0.37 1.86 1.55 -3.72 0.00 0.00 177.10 176.41 1h6k h PRO 541 N 7.85 1.00 0.00 0.43 0.13 -1.97 -2.16 132.00 137.28 1h6k h PRO 541 Ca -0.10 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.88 1h6k h PRO 541 Cb 1.02 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1h6k h PRO 541 CO 0.49 0.66 -0.42 1.25 -0.23 0.00 0.00 178.00 179.75 1h6k h LEU 542 N 1.03 0.00 -0.41 1.56 5.85 -1.95 -0.54 115.31 120.86 1h6k h LEU 542 Ca 0.47 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.10 1h6k h LEU 542 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1h6k h LEU 542 CO -0.23 0.42 -0.09 0.11 -0.34 0.00 0.00 178.44 178.32 1h6k h LYS 543 N 0.00 0.78 -0.17 1.25 1.57 -1.75 -1.62 116.57 116.63 1h6k h LYS 543 Ca -0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1h6k h LYS 543 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1h6k h LYS 543 CO 0.05 0.90 0.07 0.82 -0.57 0.00 0.00 179.45 180.73 1h6k h ILE 544 N 0.60 1.15 0.11 1.86 2.04 -1.27 -1.50 117.51 120.50 1h6k h ILE 544 Ca 0.11 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1h6k h ILE 544 Cb 0.61 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1h6k h ILE 544 CO 0.04 0.14 -0.17 -0.08 0.00 0.00 0.00 178.15 178.08 1h6k h GLU 545 N 0.12 -0.33 -0.40 2.37 4.81 -1.00 0.41 114.58 120.56 1h6k h GLU 545 Ca 0.06 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1h6k h GLU 545 Cb 0.16 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1h6k h GLU 545 CO -0.01 -0.22 -0.03 -0.39 -0.73 0.00 0.00 179.01 177.63 1h6k h VAL 546 N -0.34 1.23 -0.08 0.32 -1.51 -1.28 -1.29 116.25 113.30 1h6k h VAL 546 Ca 0.02 -0.97 -0.04 0.00 -1.23 0.00 0.00 66.70 64.48 1h6k h VAL 546 Cb 0.35 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1h6k h VAL 546 CO -0.09 0.33 -0.10 0.15 -1.23 0.00 0.00 177.57 176.64 1h6k h PHE 547 N 0.62 0.24 -0.09 5.19 3.57 -0.78 -2.68 116.94 123.01 1h6k h PHE 547 Ca 0.12 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1h6k h PHE 547 Cb 0.44 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1h6k h PHE 547 CO 0.02 0.66 0.01 0.28 -2.23 0.00 0.00 178.31 177.05 1h6k h VAL 548 N -0.25 1.24 -0.40 1.41 2.07 -0.12 -1.89 116.25 118.30 1h6k h VAL 548 Ca 0.01 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.85 1h6k h VAL 548 Cb 0.63 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1h6k h VAL 548 CO 0.02 0.21 0.01 1.56 0.02 0.00 0.00 177.57 179.39 1h6k h GLN 549 N -0.11 0.11 -0.05 1.57 1.08 -1.33 -1.15 115.11 115.23 1h6k h GLN 549 Ca 0.03 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1h6k h GLN 549 Cb 0.33 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1h6k h GLN 549 CO 0.00 0.07 -0.05 1.15 -0.95 0.00 0.00 178.83 179.06 1h6k h THR 550 N 0.11 1.36 -0.41 -0.54 2.02 -1.46 -1.76 112.91 112.24 1h6k h THR 550 Ca 0.20 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1h6k h THR 550 Cb 0.28 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1h6k h THR 550 CO -0.32 0.32 0.23 0.25 0.37 0.00 0.00 175.52 176.36 1h6k h LEU 551 N -0.31 0.36 -0.35 2.58 5.85 -1.26 -1.77 115.31 120.41 1h6k h LEU 551 Ca 0.01 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1h6k h LEU 551 Cb 0.53 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1h6k h LEU 551 CO 0.01 0.26 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.22 1h6k h LEU 552 N 0.46 0.68 -0.84 2.25 3.38 -1.24 -2.56 115.31 117.44 1h6k h LEU 552 Ca 0.16 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1h6k h LEU 552 Cb 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1h6k h LEU 552 CO -0.09 0.88 0.47 -0.74 0.09 0.00 0.00 178.44 179.05 1h6k h HIS 553 N 0.46 0.85 0.00 1.13 2.76 -1.12 -1.04 115.15 118.19 1h6k h HIS 553 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1h6k h HIS 553 Cb 0.58 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1h6k h HIS 553 CO 0.05 0.31 0.00 1.28 -1.30 0.00 0.00 177.93 178.27 1h6k n LEU 554 N -4.77 0.76 -0.75 0.26 4.77 -0.68 -3.00 117.00 113.58 1h6k n LEU 554 Ca 0.15 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.81 1h6k n LEU 554 Cb 0.32 -0.38 0.24 0.00 -2.33 0.00 0.00 43.42 41.27 1h6k n LEU 554 CO 0.25 -0.25 0.68 0.00 -1.33 0.00 0.00 177.39 176.74 1h6k n ALA 555 N -1.77 2.89 0.77 -1.18 0.00 -0.50 -4.67 120.51 116.06 1h6k n ALA 555 Ca 0.05 -2.39 0.09 0.00 0.00 0.00 0.00 53.44 51.19 1h6k n ALA 555 Cb 0.39 -0.66 0.43 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.69 1.91 -0.01 0.00 0.00 -0.60 -3.28 120.51 117.84 1h6k n ALA 556 Ca 0.21 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1h6k n ALA 556 Cb 0.85 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 0.06 -3.29 0.00 3.64 -1.85 -3.47 116.57 111.65 1h6k h LYS 557 Ca 0.00 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1h6k h LYS 557 Cb 0.20 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1h6k h LYS 557 CO 0.00 0.04 0.14 -1.54 -2.27 0.00 0.00 179.45 175.82 1h6k s SER 558 N -5.23 0.17 0.05 4.20 1.04 -1.24 -5.03 113.70 107.66 1h6k s SER 558 Ca -0.13 -1.14 -0.26 0.00 0.48 0.00 0.00 55.95 54.90 1h6k s SER 558 Cb 0.08 0.78 -0.17 0.00 0.10 0.00 0.00 66.02 66.81 1h6k s SER 558 CO 0.68 -1.53 1.54 -0.26 0.98 0.00 0.00 173.24 174.65 1h6k h PHE 559 N 2.04 -0.26 -0.80 5.02 -1.00 -1.91 -2.33 116.94 117.69 1h6k h PHE 559 Ca -0.29 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.62 1h6k h PHE 559 Cb 1.25 0.09 -0.09 0.00 3.61 0.00 0.00 35.95 40.80 1h6k h PHE 559 CO 1.21 -0.06 0.39 0.77 -1.61 0.00 0.00 178.31 179.01 1h6k h SER 560 N -0.43 0.45 -0.61 2.17 0.02 -1.97 0.29 113.55 113.47 1h6k h SER 560 Ca -0.03 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1h6k h SER 560 Cb 0.33 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1h6k h SER 560 CO 0.05 0.20 0.25 0.45 -1.14 0.00 0.00 176.83 176.63 1h6k h HIS 561 N 0.57 0.95 -0.12 3.45 3.86 -1.79 -1.18 115.15 120.89 1h6k h HIS 561 Ca 0.43 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.41 1h6k h HIS 561 Cb 0.60 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.79 1h6k h HIS 561 CO -0.11 0.73 -0.59 0.77 0.86 0.00 0.00 177.93 179.59 1h6k h SER 562 N 0.92 0.73 -0.53 2.45 0.02 -0.47 -2.17 113.55 114.50 1h6k h SER 562 Ca 0.22 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1h6k h SER 562 Cb 0.19 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1h6k h SER 562 CO -0.02 1.25 0.34 -0.26 -1.14 0.00 0.00 176.83 177.00 1h6k h PHE 563 N 0.26 0.64 -0.02 3.45 0.05 -0.33 -0.94 116.94 120.05 1h6k h PHE 563 Ca -0.04 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.66 1h6k h PHE 563 Cb 1.23 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 38.95 1h6k h PHE 563 CO 0.11 0.39 -0.50 0.66 -0.18 0.00 0.00 178.31 178.78 1h6k h SER 564 N 0.68 0.05 -0.11 2.17 4.64 -1.25 -0.70 113.55 119.03 1h6k h SER 564 Ca 0.20 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1h6k h SER 564 Cb -0.04 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1h6k h SER 564 CO -0.06 0.54 -0.33 0.00 -0.87 0.00 0.00 176.83 176.11 1h6k h ALA 565 N 1.46 0.91 -0.09 5.18 0.00 -0.81 0.15 119.26 126.06 1h6k h ALA 565 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1h6k h ALA 565 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1h6k h ALA 565 CO 0.07 0.62 -0.55 -0.07 0.00 0.00 0.00 179.25 179.32 1h6k h LEU 566 N 0.51 0.31 -0.06 0.00 3.38 -0.71 -2.64 115.31 116.10 1h6k h LEU 566 Ca 0.06 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1h6k h LEU 566 Cb 0.81 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1h6k h LEU 566 CO 0.07 0.80 -0.60 0.00 0.09 0.00 0.00 178.44 178.79 1h6k h ALA 567 N 1.21 0.15 0.39 1.53 0.00 -0.78 -2.66 119.26 119.11 1h6k h ALA 567 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1h6k h ALA 567 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1h6k h ALA 567 CO 0.09 0.41 -0.19 0.87 0.00 0.00 0.00 179.25 180.43 1h6k h LYS 568 N 0.08 -0.51 -1.15 0.00 1.57 -0.73 -3.05 116.57 112.79 1h6k h LYS 568 Ca -0.06 0.03 -0.48 0.00 -1.87 0.00 0.00 60.65 58.28 1h6k h LYS 568 Cb 1.27 0.12 -0.23 0.00 0.08 0.00 0.00 32.23 33.47 1h6k h LYS 568 CO 0.12 -0.28 0.61 1.19 -0.57 0.00 0.00 179.45 180.52 1h6k n PHE 569 N -5.28 2.43 -0.01 -1.35 3.01 -1.00 -4.58 117.46 110.69 1h6k n PHE 569 Ca -0.11 -2.18 -0.09 0.00 1.01 0.00 0.00 57.45 56.08 1h6k n PHE 569 Cb 0.25 -1.07 -0.03 0.00 -0.01 0.00 0.00 39.48 38.62 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 1.40 -0.29 -0.57 1.38 2.76 -1.35 -2.95 115.15 115.51 1h6k h HIS 570 Ca 0.48 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.78 1h6k h HIS 570 Cb 1.44 0.15 -0.11 0.00 1.55 0.00 0.00 27.41 30.44 1h6k h HIS 570 CO 1.18 -0.18 -0.20 0.93 -1.30 0.00 0.00 177.93 178.36 1h6k h GLU 571 N -0.13 -0.06 -0.72 5.26 5.08 -1.87 -1.01 114.58 121.13 1h6k h GLU 571 Ca 0.09 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1h6k h GLU 571 Cb 0.27 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1h6k h GLU 571 CO -0.23 -0.04 0.41 0.28 -1.00 0.00 0.00 179.01 178.44 1h6k h VAL 572 N -0.06 0.98 0.64 3.13 2.07 -1.89 0.11 116.25 121.23 1h6k h VAL 572 Ca 0.27 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1h6k h VAL 572 Cb 0.47 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1h6k h VAL 572 CO -0.62 0.14 -0.43 -0.26 0.02 0.00 0.00 177.57 176.42 1h6k h PHE 573 N 0.76 -1.15 -0.69 1.57 -1.00 -1.11 0.37 116.94 115.69 1h6k h PHE 573 Ca 0.32 -0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.24 1h6k h PHE 573 Cb 0.20 0.42 -0.11 0.00 3.61 0.00 0.00 35.95 40.07 1h6k h PHE 573 CO -0.07 -0.63 0.10 0.87 -1.61 0.00 0.00 178.31 176.97 1h6k h LYS 574 N -1.02 0.20 0.23 1.51 1.79 -0.91 0.48 116.57 118.85 1h6k h LYS 574 Ca -0.08 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1h6k h LYS 574 Cb 0.84 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1h6k h LYS 574 CO 0.06 0.13 -0.11 1.15 -1.08 0.00 0.00 179.45 179.59 1h6k h THR 575 N 0.20 0.83 -0.75 -0.16 2.02 -0.61 0.78 112.91 115.22 1h6k h THR 575 Ca 0.38 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1h6k h THR 575 Cb 0.63 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1h6k h THR 575 CO -0.52 0.08 0.25 -0.07 0.37 0.00 0.00 175.52 175.63 1h6k h LEU 576 N -0.49 1.08 -3.74 2.58 4.07 0.47 -3.03 115.31 116.25 1h6k h LEU 576 Ca -0.03 -0.20 -0.37 0.00 0.08 0.00 0.00 57.88 57.36 1h6k h LEU 576 Cb 0.37 -0.28 -0.22 0.00 1.08 0.00 0.00 40.66 41.61 1h6k h LEU 576 CO 0.05 0.99 0.36 0.00 -1.08 0.00 0.00 178.44 178.77 1h6k n ALA 577 N -2.44 5.04 0.24 1.53 0.00 0.16 -4.54 120.51 120.51 1h6k n ALA 577 Ca 0.06 -2.93 0.12 0.00 0.00 0.00 0.00 53.44 50.69 1h6k n ALA 577 Cb 0.22 -1.18 0.74 0.00 0.00 0.00 0.00 19.45 19.23 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 1.15 0.00 -6.22 0.00 4.81 -0.71 -3.37 114.58 110.24 1h6k h GLU 578 Ca 0.46 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 59.22 1h6k h GLU 578 Cb 2.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.77 1h6k h GLU 578 CO 0.82 0.00 -0.40 -1.54 -0.73 0.00 0.00 179.01 177.16 1h6k s SER 579 N -6.64 6.32 0.18 1.04 1.04 -1.26 -5.01 113.70 109.37 1h6k s SER 579 Ca -0.05 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 1h6k s SER 579 Cb 0.17 -1.88 0.11 0.00 0.10 0.00 0.00 66.02 64.51 1h6k s SER 579 CO 0.63 -0.09 1.81 0.44 0.98 0.00 0.00 173.24 177.01 1h6k h ASP 580 N 1.18 0.48 0.20 7.02 5.19 -1.98 -1.33 116.42 127.19 1h6k h ASP 580 Ca -0.51 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 55.85 1h6k h ASP 580 Cb 1.23 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1h6k h ASP 580 CO 0.62 0.34 -0.23 -0.33 -3.12 0.00 0.00 179.24 176.52 1h6k h GLU 581 N 0.60 0.06 -0.28 3.56 5.08 -1.95 -1.63 114.58 120.02 1h6k h GLU 581 Ca 0.21 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1h6k h GLU 581 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h6k h GLU 581 CO -0.10 0.29 -0.21 0.78 -1.00 0.00 0.00 179.01 178.77 1h6k h GLY 582 N 0.77 0.70 0.87 -3.84 0.00 -1.65 -1.49 103.07 98.42 1h6k h GLY 582 Ca 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.68 1h6k h GLY 582 CO 0.03 0.61 0.16 0.50 0.00 0.00 0.00 176.54 177.84 1h6k h LYS 583 N 0.38 0.32 -0.40 4.80 1.57 -0.75 0.25 116.57 122.75 1h6k h LYS 583 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1h6k h LYS 583 Cb 0.76 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1h6k h LYS 583 CO 0.06 0.21 0.20 -0.07 -0.57 0.00 0.00 179.45 179.28 1h6k h LEU 584 N 0.33 0.49 -0.15 2.94 4.07 -1.27 -2.08 115.31 119.64 1h6k h LEU 584 Ca 0.13 -0.04 -0.22 0.00 0.08 0.00 0.00 57.88 57.83 1h6k h LEU 584 Cb 0.04 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1h6k h LEU 584 CO -0.08 0.42 -0.98 -0.74 -1.08 0.00 0.00 178.44 175.97 1h6k h HIS 585 N 0.56 0.40 -0.28 1.13 2.76 -0.18 -0.95 115.15 118.58 1h6k h HIS 585 Ca 0.14 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1h6k h HIS 585 Cb 0.05 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1h6k h HIS 585 CO 0.00 1.09 0.17 0.28 -1.30 0.00 0.00 177.93 178.17 1h6k h VAL 586 N 0.12 1.10 -0.65 5.26 2.07 -0.09 -0.35 116.25 123.71 1h6k h VAL 586 Ca -0.07 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1h6k h VAL 586 Cb 1.64 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1h6k h VAL 586 CO 0.16 0.10 0.26 -0.07 0.02 0.00 0.00 177.57 178.03 1h6k h LEU 587 N 0.36 0.89 -0.23 2.57 3.38 -1.33 0.10 115.31 121.06 1h6k h LEU 587 Ca 0.10 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1h6k h LEU 587 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1h6k h LEU 587 CO -0.02 0.82 0.11 -0.09 0.09 0.00 0.00 178.44 179.35 1h6k h ARG 588 N 0.91 0.23 -0.34 1.13 2.43 -0.89 -0.31 114.38 117.53 1h6k h ARG 588 Ca 0.21 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.21 1h6k h ARG 588 Cb 0.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1h6k h ARG 588 CO -0.02 0.15 -0.42 0.28 -1.51 0.00 0.00 179.97 178.46 1h6k h VAL 589 N 0.23 1.28 -0.65 0.20 2.07 -0.84 -1.25 116.25 117.29 1h6k h VAL 589 Ca 0.09 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.05 1h6k h VAL 589 Cb 0.03 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1h6k h VAL 589 CO -0.07 0.53 0.39 -0.03 0.02 0.00 0.00 177.57 178.41 1h6k h MET 590 N 0.69 0.74 -0.71 1.57 1.85 -0.73 -0.53 114.93 117.80 1h6k h MET 590 Ca 0.05 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1h6k h MET 590 Cb 1.00 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.83 1h6k h MET 590 CO 0.10 0.49 0.33 0.35 -0.40 0.00 0.00 176.91 177.78 1h6k h PHE 591 N 0.77 1.03 0.00 1.39 3.57 -0.77 0.14 116.94 123.06 1h6k h PHE 591 Ca 0.27 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1h6k h PHE 591 Cb 0.05 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1h6k h PHE 591 CO -0.05 0.76 -0.18 0.93 -2.23 0.00 0.00 178.31 177.54 1h6k h GLU 592 N 1.02 0.00 0.12 1.11 5.08 -0.00 -0.22 114.58 121.69 1h6k h GLU 592 Ca 0.25 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.36 1h6k h GLU 592 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1h6k h GLU 592 CO -0.03 0.18 -1.21 0.28 -1.00 0.00 0.00 179.01 177.23 1h6k h VAL 593 N 0.00 1.18 -0.25 3.13 2.07 0.09 -3.41 116.25 119.06 1h6k h VAL 593 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1h6k h VAL 593 Cb 0.46 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1h6k h VAL 593 CO 0.02 0.69 0.00 0.79 0.02 0.00 0.00 177.57 179.10 1h6k n TRP 594 N -4.01 0.89 0.14 1.57 5.03 0.37 -1.22 117.44 120.22 1h6k n TRP 594 Ca -0.22 -0.87 0.18 0.00 3.03 0.00 0.00 57.50 59.62 1h6k n TRP 594 Cb 0.87 -0.30 0.77 0.00 -1.03 0.00 0.00 31.31 31.62 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 1.74 0.00 0.00 -0.99 0.11 -1.26 0.12 114.38 114.11 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 1.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1h6k h ARG 595 CO 0.21 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.37 1h6k n ASN 596 N -3.91 0.00 -3.30 0.08 3.02 -1.26 -4.39 115.26 105.50 1h6k n ASN 596 Ca 0.04 -0.08 -0.25 0.00 -0.03 0.00 0.00 54.58 54.26 1h6k n ASN 596 Cb 0.45 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.30 0.87 -0.29 3.10 -0.00 0.43 -3.95 115.22 114.08 1h6k n HIS 597 Ca 0.13 -3.74 0.16 0.00 0.46 0.00 0.00 57.72 54.74 1h6k n HIS 597 Cb 0.24 -0.37 0.43 0.00 -0.12 0.00 0.00 29.99 30.17 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 4.23 0.55 -0.77 1.57 0.11 -1.77 0.52 132.00 136.43 1h6k h PRO 598 Ca 0.13 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1h6k h PRO 598 Cb 0.82 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 1h6k h PRO 598 CO 0.57 0.36 0.36 0.37 -0.21 0.00 0.00 178.00 179.45 1h6k h GLN 599 N 0.56 1.12 -0.41 1.05 4.15 -1.93 -0.98 115.11 118.68 1h6k h GLN 599 Ca 0.51 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1h6k h GLN 599 Cb 1.03 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1h6k h GLN 599 CO -0.25 0.88 0.18 1.98 -1.93 0.00 0.00 178.83 179.69 1h6k h MET 600 N 1.10 0.60 -0.39 1.69 4.05 -1.27 -2.05 114.93 118.66 1h6k h MET 600 Ca 0.26 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.66 1h6k h MET 600 Cb 0.14 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 1h6k h MET 600 CO -0.03 0.54 -0.11 0.82 0.23 0.00 0.00 176.91 178.37 1h6k h ILE 601 N 0.52 0.60 -0.55 1.77 2.04 -0.95 -0.04 117.51 120.88 1h6k h ILE 601 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1h6k h ILE 601 Cb 0.15 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1h6k h ILE 601 CO -0.01 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.42 1h6k h ALA 602 N 1.37 0.71 -0.01 1.87 0.00 -0.90 -0.22 119.26 122.07 1h6k h ALA 602 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1h6k h ALA 602 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1h6k h ALA 602 CO -0.40 -0.06 -0.75 -0.39 0.00 0.00 0.00 179.25 177.64 1h6k h VAL 603 N 0.55 1.50 -0.20 0.00 -1.51 -0.82 -2.33 116.25 113.45 1h6k h VAL 603 Ca 0.25 -2.48 -0.04 0.00 -1.23 0.00 0.00 66.70 63.20 1h6k h VAL 603 Cb 0.15 2.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1h6k h VAL 603 CO -0.17 0.71 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.80 1h6k h LEU 604 N 0.05 0.36 -0.64 4.19 3.38 -0.62 -1.61 115.31 120.42 1h6k h LEU 604 Ca -0.02 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1h6k h LEU 604 Cb 1.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1h6k h LEU 604 CO 0.10 0.60 0.38 0.58 0.09 0.00 0.00 178.44 180.20 1h6k h VAL 605 N 0.10 1.04 -0.52 1.22 2.07 -0.99 0.21 116.25 119.38 1h6k h VAL 605 Ca 0.05 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1h6k h VAL 605 Cb 0.43 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1h6k h VAL 605 CO 0.01 0.13 0.29 -0.78 0.02 0.00 0.00 177.57 177.25 1h6k h ASP 606 N 0.73 0.64 -0.49 0.57 1.82 -1.36 -0.55 116.42 117.79 1h6k h ASP 606 Ca 0.27 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.74 1h6k h ASP 606 Cb 0.08 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1h6k h ASP 606 CO -0.13 0.54 -0.01 0.50 -1.61 0.00 0.00 179.24 178.53 1h6k h LYS 607 N 0.69 0.87 -0.64 0.28 1.63 -0.59 -0.39 116.57 118.42 1h6k h LYS 607 Ca 0.18 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1h6k h LYS 607 Cb 0.03 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1h6k h LYS 607 CO -0.03 0.92 0.29 0.52 -3.45 0.00 0.00 179.45 177.70 1h6k h MET 608 N 0.73 0.91 -0.08 1.90 2.86 -0.23 -0.72 114.93 120.29 1h6k h MET 608 Ca 0.14 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1h6k h MET 608 Cb 0.53 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1h6k h MET 608 CO 0.03 0.71 -0.04 0.82 1.06 0.00 0.00 176.91 179.49 1h6k h ILE 609 N 0.90 1.33 0.00 -1.22 2.04 -0.86 0.29 117.51 119.99 1h6k h ILE 609 Ca 0.22 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1h6k h ILE 609 Cb 0.12 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1h6k h ILE 609 CO -0.03 0.30 -0.13 0.03 0.00 0.00 0.00 178.15 178.32 1h6k h ARG 610 N -0.20 0.00 -0.51 2.37 3.08 -0.73 -1.55 114.38 116.84 1h6k h ARG 610 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1h6k h ARG 610 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h6k h ARG 610 CO 0.01 0.13 0.00 0.25 -1.07 0.00 0.00 179.97 179.29 1h6k n THR 611 N -3.99 1.91 -1.85 2.04 -2.24 -0.31 -4.96 114.28 104.88 1h6k n THR 611 Ca -0.02 -1.34 -0.20 0.00 -2.27 0.00 0.00 64.05 60.21 1h6k n THR 611 Cb 0.22 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.63 -1.48 -0.14 -0.78 6.02 -0.58 -4.85 117.38 116.19 1h6k n GLN 612 Ca 0.23 1.14 -0.10 0.00 -0.01 0.00 0.00 57.00 58.26 1h6k n GLN 612 Cb 0.85 -5.59 0.03 0.00 1.02 0.00 0.00 30.24 26.56 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 1.27 -3.60 5.09 2.04 -0.70 -3.44 117.51 118.16 1h6k h ILE 613 Ca -0.44 -1.34 -0.39 0.00 1.00 0.00 0.00 64.86 63.69 1h6k h ILE 613 Cb 1.34 1.11 -0.14 0.00 -0.74 0.00 0.00 36.82 38.38 1h6k h ILE 613 CO 0.60 0.46 -0.60 0.68 0.00 0.00 0.00 178.15 179.29 1h6k s VAL 614 N -4.70 0.60 0.43 1.67 -7.23 -1.04 -4.85 120.40 105.29 1h6k s VAL 614 Ca -0.11 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1h6k s VAL 614 Cb 0.13 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 1h6k s VAL 614 CO 0.86 0.00 0.04 1.51 -0.31 0.00 0.00 175.10 177.20 1h6k s ASP 615 N -3.37 4.00 0.27 4.85 1.47 -1.26 -4.16 116.67 118.47 1h6k s ASP 615 Ca 0.36 -1.37 -0.02 0.00 1.18 0.00 0.00 52.55 52.70 1h6k s ASP 615 Cb 0.07 -0.26 0.45 0.00 -0.34 0.00 0.00 42.92 42.84 1h6k s ASP 615 CO 0.15 -0.53 1.86 0.00 0.68 0.00 0.00 175.17 177.32 1h6k h ALA 617 N 1.48 0.51 -0.85 0.00 0.00 -1.96 0.25 119.26 118.69 1h6k h ALA 617 Ca 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1h6k h ALA 617 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1h6k h ALA 617 CO -0.21 -0.06 0.51 0.00 0.00 0.00 0.00 179.25 179.49 1h6k h ALA 618 N 1.16 1.08 -0.48 0.00 0.00 -1.82 0.09 119.26 119.29 1h6k h ALA 618 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1h6k h ALA 618 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1h6k h ALA 618 CO -0.05 0.55 0.01 0.28 0.00 0.00 0.00 179.25 180.04 1h6k h VAL 619 N 1.17 1.26 -0.45 0.00 2.07 -0.66 0.53 116.25 120.17 1h6k h VAL 619 Ca 0.30 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1h6k h VAL 619 Cb -0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1h6k h VAL 619 CO -0.06 0.37 0.29 0.00 0.02 0.00 0.00 177.57 178.19 1h6k h ALA 620 N 0.93 0.58 -0.74 1.67 0.00 -0.15 0.77 119.26 122.32 1h6k h ALA 620 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1h6k h ALA 620 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h6k h ALA 620 CO 0.02 0.04 0.27 -0.91 0.00 0.00 0.00 179.25 178.68 1h6k h ASN 621 N 0.61 1.05 -0.85 0.00 2.35 -0.71 -2.40 115.58 115.62 1h6k h ASN 621 Ca 0.17 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1h6k h ASN 621 Cb -0.05 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.00 1h6k h ASN 621 CO -0.03 0.96 0.55 -0.25 -1.65 0.00 0.00 177.43 177.00 1h6k h TRP 622 N 1.09 1.04 -0.82 1.19 7.01 -0.22 -2.11 115.95 123.12 1h6k h TRP 622 Ca 0.24 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.39 1h6k h TRP 622 Cb 0.26 -0.34 -0.08 0.00 -2.10 0.00 0.00 29.16 26.89 1h6k h TRP 622 CO 0.02 0.60 0.44 0.82 -2.79 0.00 0.00 178.44 177.53 1h6k h ILE 623 N 1.08 0.80 -0.27 2.65 1.08 -0.35 -0.40 117.51 122.10 1h6k h ILE 623 Ca 0.34 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1h6k h ILE 623 Cb -0.01 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.81 1h6k h ILE 623 CO -0.11 0.12 0.00 0.49 -0.69 0.00 0.00 178.15 177.96 1h6k n PHE 624 N -4.83 0.35 -1.34 1.37 3.01 -0.91 -4.81 117.46 110.30 1h6k n PHE 624 Ca 0.15 -0.18 -0.31 0.00 1.01 0.00 0.00 57.45 58.12 1h6k n PHE 624 Cb 0.36 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.38 4.56 0.45 4.37 1.04 -0.16 -4.93 113.70 117.66 1h6k s SER 625 Ca 0.31 1.88 0.19 0.00 0.48 0.00 0.00 55.95 58.81 1h6k s SER 625 Cb 0.17 -2.53 1.08 0.00 0.10 0.00 0.00 66.02 64.84 1h6k s SER 625 CO 0.24 -2.00 1.97 0.77 0.98 0.00 0.00 173.24 175.21 1h6k h SER 626 N -0.92 0.00 0.61 7.02 4.64 -1.92 -2.00 113.55 120.99 1h6k h SER 626 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 1h6k h SER 626 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1h6k h SER 626 CO 0.51 0.21 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.25 1h6k h GLU 627 N 0.00 0.00 -0.29 4.77 3.07 -1.91 -2.61 114.58 117.61 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 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1h6k h GLU 627 CO 0.03 0.10 0.00 1.28 -1.40 0.00 0.00 179.01 179.02 1h6k n LEU 628 N -3.38 3.25 -0.32 1.33 4.32 -0.76 -4.56 117.00 116.87 1h6k n LEU 628 Ca -0.01 -1.38 0.10 0.00 -0.02 0.00 0.00 56.01 54.70 1h6k n LEU 628 Cb 0.28 -0.18 0.32 0.00 -1.62 0.00 0.00 43.42 42.22 1h6k n LEU 628 CO 0.29 0.67 1.22 0.28 -1.22 0.00 0.00 177.39 178.63 1h6k h SER 629 N 4.26 0.79 1.72 -1.43 0.02 -1.39 0.12 113.55 117.64 1h6k h SER 629 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1h6k h SER 629 Cb 0.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1h6k h SER 629 CO 0.00 0.38 0.00 0.03 -1.14 0.00 0.00 176.83 176.10 1h6k h ARG 630 N 0.82 0.00 -0.22 3.45 3.08 -1.81 -3.13 114.38 116.58 1h6k h ARG 630 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1h6k h ARG 630 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1h6k h ARG 630 CO -0.26 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.39 1h6k n ASP 631 N -3.01 2.61 0.04 7.04 8.00 -0.43 -4.75 116.55 126.04 1h6k n ASP 631 Ca 0.03 -1.78 0.18 0.00 0.71 0.00 0.00 54.79 53.93 1h6k n ASP 631 Cb 0.47 -0.14 0.67 0.00 -0.02 0.00 0.00 41.12 42.09 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 2.44 0.03 -0.01 1.24 3.57 -0.76 -0.78 116.94 122.67 1h6k h PHE 632 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h6k h PHE 632 Cb 0.66 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1h6k h PHE 632 CO 0.14 0.01 -0.16 0.25 -2.23 0.00 0.00 178.31 176.33 1h6k n THR 633 N -4.41 0.00 -2.44 4.41 -2.24 -1.26 -4.85 114.28 103.48 1h6k n THR 633 Ca 0.08 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 1h6k n THR 633 Cb 0.51 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.27 4.25 0.27 -0.78 0.52 -0.30 -4.94 118.95 115.70 1h6k s ARG 634 Ca 0.29 1.69 -0.01 0.00 -0.52 0.00 0.00 55.73 57.19 1h6k s ARG 634 Cb 0.20 -2.75 0.58 0.00 0.52 0.00 0.00 34.95 33.49 1h6k s ARG 634 CO 0.44 -0.11 1.72 -0.07 0.02 0.00 0.00 175.30 177.30 1h6k h LEU 635 N 2.88 0.33 -1.71 2.53 4.07 -1.91 -2.63 115.31 118.86 1h6k h LEU 635 Ca -0.48 0.13 0.03 0.00 0.08 0.00 0.00 57.88 57.64 1h6k h LEU 635 Cb 1.22 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 1h6k h LEU 635 CO 0.64 0.08 0.25 2.19 -1.08 0.00 0.00 178.44 180.52 1h6k h PHE 636 N 0.46 0.36 -0.39 1.13 -0.00 -1.92 0.42 116.94 117.01 1h6k h PHE 636 Ca 0.48 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.47 1h6k h PHE 636 Cb 0.80 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 36.60 1h6k h PHE 636 CO -0.15 0.21 0.24 0.28 -0.00 0.00 0.00 178.31 178.89 1h6k h VAL 637 N 0.38 1.06 -0.00 0.88 2.07 -1.76 0.01 116.25 118.89 1h6k h VAL 637 Ca 0.15 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 1h6k h VAL 637 Cb 0.14 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1h6k h VAL 637 CO -0.04 0.09 -0.82 -0.50 0.02 0.00 0.00 177.57 176.32 1h6k h TRP 638 N 0.48 0.14 -0.60 1.57 4.06 -1.34 -1.83 115.95 118.42 1h6k h TRP 638 Ca 0.15 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 1h6k h TRP 638 Cb -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 1h6k h TRP 638 CO -0.06 0.87 0.33 0.93 -3.56 0.00 0.00 178.44 176.95 1h6k h GLU 639 N 0.05 0.84 -0.03 0.49 5.08 -0.54 -0.97 114.58 119.51 1h6k h GLU 639 Ca -0.02 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1h6k h GLU 639 Cb 1.43 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1h6k h GLU 639 CO 0.12 0.63 0.00 0.82 -1.00 0.00 0.00 179.01 179.58 1h6k h ILE 640 N 0.82 1.22 -0.52 3.13 2.04 -0.81 -1.54 117.51 121.84 1h6k h ILE 640 Ca 0.21 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1h6k h ILE 640 Cb 0.04 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1h6k h ILE 640 CO -0.03 0.18 0.20 0.25 0.00 0.00 0.00 178.15 178.74 1h6k h LEU 641 N -0.21 0.21 -0.81 1.44 5.85 -1.18 0.71 115.31 121.32 1h6k h LEU 641 Ca 0.01 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1h6k h LEU 641 Cb 0.28 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1h6k h LEU 641 CO 0.00 0.15 -0.41 0.45 -0.34 0.00 0.00 178.44 178.29 1h6k h HIS 642 N 0.38 0.46 -0.30 1.25 3.86 -1.14 0.07 115.15 119.74 1h6k h HIS 642 Ca 0.25 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1h6k h HIS 642 Cb 0.27 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1h6k h HIS 642 CO -0.16 0.74 -0.20 1.03 0.86 0.00 0.00 177.93 180.21 1h6k h SER 643 N 0.33 0.55 -0.11 2.45 0.87 -0.77 -0.73 113.55 116.13 1h6k h SER 643 Ca 0.03 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1h6k h SER 643 Cb 0.86 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1h6k h SER 643 CO 0.07 0.76 0.04 0.74 -0.53 0.00 0.00 176.83 177.91 1h6k h THR 644 N 0.50 1.16 -0.50 2.23 2.02 -0.08 -2.16 112.91 116.07 1h6k h THR 644 Ca 0.08 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1h6k h THR 644 Cb 0.63 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1h6k h THR 644 CO 0.04 0.14 0.31 0.40 0.37 0.00 0.00 175.52 176.78 1h6k h ILE 645 N 0.01 1.06 -0.57 3.11 2.04 -0.79 -2.11 117.51 120.26 1h6k h ILE 645 Ca 0.04 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1h6k h ILE 645 Cb 0.18 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1h6k h ILE 645 CO -0.00 0.11 0.31 0.03 0.00 0.00 0.00 178.15 178.60 1h6k h ARG 646 N 0.61 0.57 -0.74 2.37 3.08 -1.02 0.18 114.38 119.44 1h6k h ARG 646 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1h6k h ARG 646 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1h6k h ARG 646 CO -0.09 0.38 0.45 0.87 -1.07 0.00 0.00 179.97 180.51 1h6k h LYS 647 N 0.59 1.00 -0.21 0.04 1.57 -1.05 0.18 116.57 118.69 1h6k h LYS 647 Ca 0.25 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1h6k h LYS 647 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1h6k h LYS 647 CO -0.16 0.71 0.13 1.98 -0.57 0.00 0.00 179.45 181.53 1h6k h MET 648 N 1.01 0.28 -0.63 3.15 4.05 -0.64 0.12 114.93 122.27 1h6k h MET 648 Ca 0.27 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1h6k h MET 648 Cb -0.04 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1h6k h MET 648 CO -0.05 0.22 0.40 -0.91 0.23 0.00 0.00 176.91 176.81 1h6k h ASN 649 N 0.26 0.69 0.24 1.39 -0.26 -0.05 -1.39 115.58 116.44 1h6k h ASN 649 Ca 0.07 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 1h6k h ASN 649 Cb 0.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1h6k h ASN 649 CO -0.01 0.49 -0.37 0.11 -1.06 0.00 0.00 177.43 176.59 1h6k h LYS 650 N 0.82 0.19 -0.34 0.81 1.57 -0.45 -2.25 116.57 116.91 1h6k h LYS 650 Ca 0.24 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1h6k h LYS 650 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1h6k h LYS 650 CO -0.07 0.53 0.20 1.25 -0.57 0.00 0.00 179.45 180.80 1h6k h HIS 651 N 0.16 0.38 -0.67 -1.35 2.76 0.27 -0.18 115.15 116.53 1h6k h HIS 651 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1h6k h HIS 651 Cb 0.73 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 1h6k h HIS 651 CO 0.01 0.23 0.42 0.28 -1.30 0.00 0.00 177.93 177.57 1h6k h VAL 652 N 0.42 1.19 -0.48 5.26 2.07 -0.99 -1.89 116.25 121.82 1h6k h VAL 652 Ca 0.13 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1h6k h VAL 652 Cb -0.01 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1h6k h VAL 652 CO -0.06 0.19 0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1h6k h LEU 653 N 0.91 0.73 0.07 2.57 3.38 -1.09 -0.53 115.31 121.35 1h6k h LEU 653 Ca 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1h6k h LEU 653 Cb -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1h6k h LEU 653 CO -0.05 0.77 -0.03 0.11 0.09 0.00 0.00 178.44 179.33 1h6k h LYS 654 N 0.73 -0.09 -0.55 1.13 1.57 -0.48 -1.07 116.57 117.82 1h6k h LYS 654 Ca 0.15 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1h6k h LYS 654 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1h6k h LYS 654 CO 0.01 0.19 0.03 0.82 -0.57 0.00 0.00 179.45 179.93 1h6k h ILE 655 N -0.36 1.25 -0.98 1.86 2.04 -1.31 -2.28 117.51 117.73 1h6k h ILE 655 Ca -0.01 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1h6k h ILE 655 Cb 0.32 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1h6k h ILE 655 CO 0.02 0.37 0.63 1.56 0.00 0.00 0.00 178.15 180.72 1h6k h GLN 656 N 0.85 1.30 -0.57 2.37 4.20 -1.01 -2.26 115.11 119.99 1h6k h GLN 656 Ca 0.16 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1h6k h GLN 656 Cb 0.46 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1h6k h GLN 656 CO 0.02 0.88 0.23 -0.22 -0.67 0.00 0.00 178.83 179.07 1h6k h LYS 657 N 1.33 0.86 0.00 1.46 3.64 -0.70 -0.66 116.57 122.49 1h6k h LYS 657 Ca 0.36 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1h6k h LYS 657 Cb -0.12 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1h6k h LYS 657 CO -0.07 0.74 -0.13 0.93 -2.27 0.00 0.00 179.45 178.65 1h6k h GLU 658 N 0.79 0.00 0.07 1.90 5.08 -1.01 0.43 114.58 121.84 1h6k h GLU 658 Ca 0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.29 1h6k h GLU 658 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1h6k h GLU 658 CO -0.02 0.13 -1.10 1.25 -1.00 0.00 0.00 179.01 178.27 1h6k h LEU 659 N 0.00 0.61 -0.37 1.33 5.85 -0.80 -2.96 115.31 118.97 1h6k h LEU 659 Ca -0.00 -0.55 -0.19 0.00 0.84 0.00 0.00 57.88 57.98 1h6k h LEU 659 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1h6k h LEU 659 CO 0.02 1.37 -0.77 -0.08 -0.34 0.00 0.00 178.44 178.64 1h6k h GLU 660 N 0.21 0.35 0.00 1.25 4.81 0.24 -3.07 114.58 118.38 1h6k h GLU 660 Ca -0.12 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1h6k h GLU 660 Cb 1.77 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1h6k h GLU 660 CO 0.20 0.97 -0.07 0.39 -0.73 0.00 0.00 179.01 179.76 1h6k n GLU 661 N -3.80 0.23 -0.06 1.92 1.02 0.14 -3.24 120.64 116.85 1h6k n GLU 661 Ca -0.04 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.24 1h6k n GLU 661 Cb 0.73 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1h6k n GLU 661 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h6k h ALA 662 N 2.58 0.01 -0.97 0.62 0.00 -1.51 -3.33 119.26 116.65 1h6k h ALA 662 Ca 0.00 -0.15 0.32 0.00 0.00 0.00 0.00 54.91 55.07 1h6k h ALA 662 Cb 0.71 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.42 1h6k h ALA 662 CO 0.00 0.07 0.43 0.87 0.00 0.00 0.00 179.25 180.63 1h6k h LYS 663 N -1.00 0.19 -0.14 0.00 1.57 -1.64 -3.51 116.57 112.04 1h6k h LYS 663 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1h6k h LYS 663 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1h6k h LYS 663 CO -0.00 0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.39 1h6k n GLU 664 N -5.18 0.20 0.00 3.15 1.02 -1.20 -5.14 120.64 113.48 1h6k n GLU 664 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1h6k n GLU 664 Cb 0.96 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1h6k n GLU 664 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1h6k n GLU 689 N 0.12 0.78 0.10 3.49 -0.00 -1.26 -5.11 120.64 118.76 1h6k n GLU 689 Ca 0.00 -0.81 -0.04 0.00 -0.00 0.00 0.00 57.16 56.31 1h6k n GLU 689 Cb 0.03 -0.86 -0.02 0.00 -0.00 0.00 0.00 31.44 30.59 1h6k n GLU 689 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1h6k h GLU 690 N 0.00 -0.25 -0.56 3.44 4.81 -2.06 -3.08 114.58 116.88 1h6k h GLU 690 Ca 0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1h6k h GLU 690 Cb 0.40 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1h6k h GLU 690 CO 0.00 -0.17 -0.33 1.04 -0.73 0.00 0.00 179.01 178.82 1h6k n GLN 691 N -2.84 -0.25 -0.46 1.92 6.02 -1.26 0.67 117.38 121.18 1h6k n GLN 691 Ca -0.03 1.22 0.38 0.00 -0.01 0.00 0.00 57.00 58.55 1h6k n GLN 691 Cb 0.10 -1.80 0.67 0.00 1.02 0.00 0.00 30.24 30.23 1h6k n GLN 691 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1h6k h ILE 692 N 0.00 0.15 -0.23 5.09 6.09 -1.97 1.33 117.51 127.97 1h6k h ILE 692 Ca 0.09 -0.03 -0.17 0.00 -1.37 0.00 0.00 64.86 63.38 1h6k h ILE 692 Cb 0.23 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 37.57 1h6k h ILE 692 CO -0.52 0.02 -0.53 -0.08 -3.07 0.00 0.00 178.15 173.96 1h6k h GLU 693 N 0.09 0.66 0.06 2.19 4.81 0.33 -2.78 114.58 119.94 1h6k h GLU 693 Ca 0.80 -0.41 -0.30 0.00 -0.13 0.00 0.00 59.36 59.33 1h6k h GLU 693 Cb 2.64 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 32.04 1h6k h GLU 693 CO -0.33 1.03 -1.61 0.00 -0.73 0.00 0.00 179.01 177.37 1h6k h ARG 694 N 0.51 0.12 -0.22 1.92 3.08 0.17 -3.29 114.38 116.67 1h6k h ARG 694 Ca 0.01 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1h6k h ARG 694 Cb 1.09 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1h6k h ARG 694 CO 0.11 0.87 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.78 1h6k h LEU 695 N 0.03 -0.14 -1.56 3.04 3.38 0.11 0.39 115.31 120.57 1h6k h LEU 695 Ca -0.26 0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1h6k h LEU 695 Cb 1.99 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.82 1h6k h LEU 695 CO 0.11 -0.04 0.37 1.56 0.09 0.00 0.00 178.44 180.53 1h6k h GLN 696 N 0.04 0.54 -0.11 1.13 4.20 -1.64 0.16 115.11 119.43 1h6k h GLN 696 Ca 0.11 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1h6k h GLN 696 Cb 0.15 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1h6k h GLN 696 CO -0.20 0.36 -0.54 1.49 -0.67 0.00 0.00 178.83 179.27 1h6k h GLU 697 N 0.55 0.31 -0.02 1.46 4.81 -1.14 -2.46 114.58 118.09 1h6k h GLU 697 Ca 0.24 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 1h6k h GLU 697 Cb 0.24 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1h6k h GLU 697 CO -0.07 0.77 -0.89 -0.22 -0.73 0.00 0.00 179.01 177.87 1h6k h LYS 698 N 0.24 0.42 -0.56 1.92 3.64 0.14 -2.89 116.57 119.49 1h6k h LYS 698 Ca 0.00 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1h6k h LYS 698 Cb 1.02 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1h6k h LYS 698 CO 0.09 1.08 0.11 0.28 -2.27 0.00 0.00 179.45 178.74 1h6k h VAL 699 N 0.25 1.25 -0.13 2.00 2.07 -0.66 0.68 116.25 121.72 1h6k h VAL 699 Ca -0.07 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1h6k h VAL 699 Cb 1.51 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1h6k h VAL 699 CO 0.15 0.34 -0.33 1.05 0.02 0.00 0.00 177.57 178.81 1h6k h GLU 700 N 0.82 0.25 0.03 1.57 4.11 -1.47 0.78 114.58 120.67 1h6k h GLU 700 Ca 0.17 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1h6k h GLU 700 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1h6k h GLU 700 CO 0.01 0.56 -0.02 1.03 0.07 0.00 0.00 179.01 180.66 1h6k h SER 701 N 0.22 -0.04 -0.30 3.06 0.87 -1.25 -0.66 113.55 115.46 1h6k h SER 701 Ca 0.03 -0.50 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1h6k h SER 701 Cb 0.70 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 1h6k h SER 701 CO 0.05 0.49 -0.04 0.00 -0.53 0.00 0.00 176.83 176.81 1h6k h ALA 702 N 0.35 0.24 -0.94 6.23 0.00 -0.72 0.11 119.26 124.53 1h6k h ALA 702 Ca -0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1h6k h ALA 702 Cb 0.53 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1h6k h ALA 702 CO 0.01 -0.44 0.61 1.96 0.00 0.00 0.00 179.25 181.39 1h6k h GLN 703 N 0.04 1.09 -0.39 0.00 4.20 -0.84 -0.14 115.11 119.07 1h6k h GLN 703 Ca 0.15 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1h6k h GLN 703 Cb 0.21 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1h6k h GLN 703 CO -0.28 0.72 0.05 0.77 -0.67 0.00 0.00 178.83 179.42 1h6k h SER 704 N 1.12 0.62 -0.47 1.46 0.02 -0.04 0.66 113.55 116.92 1h6k h SER 704 Ca 0.39 -0.27 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1h6k h SER 704 Cb 0.11 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 1h6k h SER 704 CO -0.14 0.73 0.03 -0.33 -1.14 0.00 0.00 176.83 175.99 1h6k h GLU 705 N 0.49 0.15 0.66 3.45 5.08 0.13 0.20 114.58 124.74 1h6k h GLU 705 Ca 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1h6k h GLU 705 Cb 0.38 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1h6k h GLU 705 CO 0.01 0.10 -0.32 0.37 -1.00 0.00 0.00 179.01 178.17 1h6k h GLN 706 N 0.15 -0.86 -0.21 2.33 4.15 -0.75 0.66 115.11 120.59 1h6k h GLN 706 Ca 0.24 0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.76 1h6k h GLN 706 Cb 0.34 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 1h6k h GLN 706 CO -0.36 -0.55 -0.09 -0.22 -1.93 0.00 0.00 178.83 175.68 1h6k h LYS 707 N -0.95 -0.06 0.00 1.69 3.64 -0.67 -1.64 116.57 118.58 1h6k h LYS 707 Ca -0.09 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1h6k h LYS 707 Cb 0.70 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1h6k h LYS 707 CO 0.15 -0.04 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.25 1h6k h ASN 708 N -0.06 0.00 0.02 4.20 -0.26 -0.52 0.15 115.58 119.10 1h6k h ASN 708 Ca 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1h6k h ASN 708 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1h6k h ASN 708 CO -0.25 0.12 -0.01 0.25 -1.06 0.00 0.00 177.43 176.49 1h6k h LEU 709 N 0.00 -0.02 -0.49 1.61 5.85 0.07 0.05 115.31 122.39 1h6k h LEU 709 Ca -0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1h6k h LEU 709 Cb 0.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1h6k h LEU 709 CO 0.02 0.20 0.29 -0.26 -0.34 0.00 0.00 178.44 178.35 1h6k h PHE 710 N -0.24 0.64 -0.47 1.25 -1.00 -0.65 -1.30 116.94 115.18 1h6k h PHE 710 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.85 1h6k h PHE 710 Cb 0.23 -0.21 -0.06 0.00 3.61 0.00 0.00 35.95 39.52 1h6k h PHE 710 CO -0.00 0.45 0.10 -0.07 -1.61 0.00 0.00 178.31 177.17 1h6k h LEU 711 N 0.65 0.02 -0.34 1.54 4.07 -0.64 0.30 115.31 120.91 1h6k h LEU 711 Ca 0.17 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.23 1h6k h LEU 711 Cb -0.01 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1h6k h LEU 711 CO -0.03 0.04 0.20 0.58 -1.08 0.00 0.00 178.44 178.15 1h6k h VAL 712 N 0.24 1.04 -0.16 1.22 2.07 -0.71 0.10 116.25 120.05 1h6k h VAL 712 Ca 0.23 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1h6k h VAL 712 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1h6k h VAL 712 CO -0.30 0.07 0.10 0.40 0.02 0.00 0.00 177.57 177.86 1h6k h ILE 713 N 0.41 1.02 -0.29 4.57 2.04 -0.22 -1.48 117.51 123.57 1h6k h ILE 713 Ca 0.13 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1h6k h ILE 713 Cb -0.00 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1h6k h ILE 713 CO -0.06 0.04 0.16 -0.26 0.00 0.00 0.00 178.15 178.02 1h6k h PHE 714 N 0.20 0.40 -0.71 1.37 0.04 -0.16 -1.53 116.94 116.55 1h6k h PHE 714 Ca 0.06 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.93 1h6k h PHE 714 Cb -0.01 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 37.93 1h6k h PHE 714 CO -0.08 0.33 0.32 0.37 -0.60 0.00 0.00 178.31 178.66 1h6k h GLN 715 N 0.35 0.52 -0.41 1.51 -0.00 -0.61 0.14 115.11 116.62 1h6k h GLN 715 Ca 0.10 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1h6k h GLN 715 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.41 1h6k h GLN 715 CO -0.02 0.34 0.12 0.00 0.00 0.00 0.00 178.83 179.28 1h6k h ARG 716 N 0.54 0.64 -0.09 1.69 2.47 -0.95 -0.66 114.38 118.02 1h6k h ARG 716 Ca 0.36 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1h6k h ARG 716 Cb 0.44 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1h6k h ARG 716 CO -0.31 0.65 0.03 0.74 0.56 0.00 0.00 179.97 181.64 1h6k h PHE 717 N 0.52 0.05 -0.96 3.04 0.04 -0.51 -0.93 116.94 118.19 1h6k h PHE 717 Ca 0.13 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.95 1h6k h PHE 717 Cb 0.28 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 1h6k h PHE 717 CO 0.01 0.03 0.63 0.82 -0.60 0.00 0.00 178.31 179.20 1h6k h ILE 718 N 0.07 1.14 0.45 -0.55 2.04 -0.56 0.61 117.51 120.71 1h6k h ILE 718 Ca 0.04 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1h6k h ILE 718 Cb 0.02 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 35.95 1h6k h ILE 718 CO -0.04 0.22 -0.22 -0.03 0.00 0.00 0.00 178.15 178.08 1h6k h MET 719 N 1.19 -0.59 -0.27 2.37 4.05 -0.68 0.65 114.93 121.65 1h6k h MET 719 Ca 0.39 0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.74 1h6k h MET 719 Cb 0.05 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1h6k h MET 719 CO -0.14 -0.32 -0.30 -0.84 0.23 0.00 0.00 176.91 175.55 1h6k h ILE 720 N -0.75 1.28 -0.54 1.77 3.07 -0.97 -1.82 117.51 119.55 1h6k h ILE 720 Ca -0.06 -1.38 -0.11 0.00 1.55 0.00 0.00 64.86 64.85 1h6k h ILE 720 Cb 0.53 1.39 -0.02 0.00 -0.27 0.00 0.00 36.82 38.46 1h6k h ILE 720 CO 0.10 0.44 -0.10 -0.07 -1.05 0.00 0.00 178.15 177.47 1h6k h LEU 721 N 0.48 1.01 -0.46 0.16 3.38 -0.84 -2.53 115.31 116.52 1h6k h LEU 721 Ca 0.06 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1h6k h LEU 721 Cb 0.76 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1h6k h LEU 721 CO 0.06 1.12 0.18 0.74 0.09 0.00 0.00 178.44 180.63 1h6k h THR 722 N 0.90 1.21 -0.41 0.22 2.02 -0.61 -0.94 112.91 115.29 1h6k h THR 722 Ca 0.14 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1h6k h THR 722 Cb 0.66 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1h6k h THR 722 CO 0.05 0.24 0.07 -0.08 0.37 0.00 0.00 175.52 176.16 1h6k h GLU 723 N 0.60 0.19 -0.03 6.66 4.81 -1.21 0.12 114.58 125.71 1h6k h GLU 723 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1h6k h GLU 723 Cb 0.20 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1h6k h GLU 723 CO -0.01 0.12 0.02 1.25 -0.73 0.00 0.00 179.01 179.66 1h6k h HIS 724 N 0.19 0.04 -0.73 0.92 2.76 -1.13 -1.05 115.15 116.16 1h6k h HIS 724 Ca 0.20 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1h6k h HIS 724 Cb 0.25 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1h6k h HIS 724 CO -0.21 0.05 0.32 -0.07 -1.30 0.00 0.00 177.93 176.72 1h6k h LEU 725 N 0.02 0.96 -0.16 0.26 3.38 -0.59 0.34 115.31 119.53 1h6k h LEU 725 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1h6k h LEU 725 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1h6k h LEU 725 CO -0.00 0.83 -0.02 0.58 0.09 0.00 0.00 178.44 179.92 1h6k h VAL 726 N 1.04 1.28 -0.25 1.22 2.07 -0.63 -1.40 116.25 119.58 1h6k h VAL 726 Ca 0.25 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1h6k h VAL 726 Cb 0.15 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1h6k h VAL 726 CO -0.03 0.28 0.06 -0.09 0.02 0.00 0.00 177.57 177.81 1h6k h ARG 727 N 0.01 0.16 -0.69 1.57 2.43 -0.84 -0.37 114.38 116.64 1h6k h ARG 727 Ca 0.04 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1h6k h ARG 727 Cb 0.44 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1h6k h ARG 727 CO 0.01 0.10 0.40 0.00 -1.51 0.00 0.00 179.97 178.98 1h6k h GLU 729 N 0.76 0.28 0.22 0.00 4.81 -0.61 0.42 114.58 120.45 1h6k h GLU 729 Ca 0.30 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1h6k h GLU 729 Cb 0.13 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1h6k h GLU 729 CO -0.16 0.35 -0.11 1.15 -0.73 0.00 0.00 179.01 179.52 1h6k h THR 730 N 0.27 0.75 0.00 0.32 2.02 0.44 -3.32 112.91 113.40 1h6k h THR 730 Ca 0.06 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1h6k h THR 730 Cb 0.28 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1h6k h THR 730 CO 0.01 0.17 -0.26 -0.90 0.37 0.00 0.00 175.52 174.92 1h6k n ASP 731 N -5.00 0.29 -0.63 4.18 5.68 -0.23 -4.93 116.55 115.91 1h6k n ASP 731 Ca -0.08 0.14 -0.08 0.00 -0.50 0.00 0.00 54.79 54.27 1h6k n ASP 731 Cb 0.26 -0.14 -0.04 0.00 -1.14 0.00 0.00 41.12 40.07 1h6k n ASP 731 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h6k n GLY 732 N 1.48 1.00 3.90 6.12 0.00 0.15 -5.01 105.19 112.83 1h6k n GLY 732 Ca 0.06 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1h6k n GLY 732 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h6k s THR 733 N -2.24 4.70 0.17 2.61 -4.23 -1.16 -5.00 115.64 110.49 1h6k s THR 733 Ca 0.00 0.27 -0.33 0.00 -1.18 0.00 0.00 61.69 60.44 1h6k s THR 733 Cb 0.00 -3.81 -0.15 0.00 1.34 0.00 0.00 72.50 69.88 1h6k s THR 733 CO 0.00 -0.84 1.35 -1.54 -0.54 0.00 0.00 174.62 173.05 1h6k n SER 734 N -2.38 2.14 0.02 3.99 3.41 -1.26 -4.74 113.62 114.80 1h6k n SER 734 Ca 0.02 1.13 -0.12 0.00 -0.26 0.00 0.00 58.87 59.63 1h6k n SER 734 Cb 0.55 -1.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1h6k n SER 734 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1h6k h VAL 735 N 3.10 1.34 -1.14 -3.33 2.07 -1.94 -3.41 116.25 112.93 1h6k h VAL 735 Ca -0.45 -2.04 -0.62 0.00 0.82 0.00 0.00 66.70 64.41 1h6k h VAL 735 Cb 1.31 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 1h6k h VAL 735 CO 0.77 0.63 1.60 -0.76 0.02 0.00 0.00 177.57 179.83 1h6k s LEU 736 N -8.17 3.67 0.30 2.57 1.43 -1.26 -4.72 118.68 112.51 1h6k s LEU 736 Ca -0.07 -1.69 0.08 0.00 -1.03 0.00 0.00 54.13 51.41 1h6k s LEU 736 Cb 0.10 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1h6k s LEU 736 CO 0.86 -1.41 0.13 0.42 0.23 0.00 0.00 176.35 176.58 1h6k s THR 737 N 4.67 3.47 0.23 5.49 -4.23 -1.26 -4.96 115.64 119.06 1h6k s THR 737 Ca 0.47 -1.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.24 1h6k s THR 737 Cb 0.00 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 71.01 1h6k s THR 737 CO -0.06 -0.27 1.69 -0.65 -0.54 0.00 0.00 174.62 174.79 1h6k h PRO 738 N 1.60 0.26 -0.55 3.99 0.11 -1.93 0.76 132.00 136.24 1h6k h PRO 738 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1h6k h PRO 738 Cb 1.25 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1h6k h PRO 738 CO 0.61 0.17 0.25 2.35 -0.21 0.00 0.00 178.00 181.17 1h6k h TRP 739 N 0.27 0.44 -0.15 0.65 7.01 -1.95 -1.95 115.95 120.27 1h6k h TRP 739 Ca 0.38 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.39 1h6k h TRP 739 Cb 0.62 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1h6k h TRP 739 CO -0.26 0.18 0.05 -0.92 -2.79 0.00 0.00 178.44 174.69 1h6k h TYR 740 N 0.47 0.24 -0.70 2.65 3.20 -1.40 -1.20 116.97 120.22 1h6k h TYR 740 Ca 0.26 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.22 1h6k h TYR 740 Cb 0.23 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 1h6k h TYR 740 CO -0.13 0.35 0.28 -0.22 -1.64 0.00 0.00 178.16 176.80 1h6k h LYS 741 N 0.06 0.45 0.23 1.82 3.64 -0.63 0.53 116.57 122.66 1h6k h LYS 741 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1h6k h LYS 741 Cb 0.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1h6k h LYS 741 CO -0.00 0.30 -0.11 -0.97 -2.27 0.00 0.00 179.45 176.39 1h6k h ASN 742 N 0.46 -0.26 -0.04 4.20 -1.24 -1.12 -2.66 115.58 114.92 1h6k h ASN 742 Ca 0.37 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.31 1h6k h ASN 742 Cb 0.50 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 1h6k h ASN 742 CO -0.35 -0.07 -0.09 0.00 -1.29 0.00 0.00 177.43 175.63 1h6k h ILE 744 N -0.13 1.24 0.00 0.00 6.09 -1.00 -1.96 117.51 121.76 1h6k h ILE 744 Ca 0.05 -1.13 -0.10 0.00 -1.37 0.00 0.00 64.86 62.31 1h6k h ILE 744 Cb 0.20 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1h6k h ILE 744 CO -0.12 0.36 -0.52 -0.33 -3.07 0.00 0.00 178.15 174.47 1h6k h GLU 745 N 0.39 0.00 -0.12 2.19 5.08 -1.09 -0.99 114.58 120.05 1h6k h GLU 745 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1h6k h GLU 745 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1h6k h GLU 745 CO 0.04 0.46 -0.52 0.00 -1.00 0.00 0.00 179.01 177.98 1h6k h ARG 746 N 0.00 0.32 -0.11 2.33 2.47 -0.23 0.12 114.38 119.29 1h6k h ARG 746 Ca -0.01 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 1h6k h ARG 746 Cb 1.37 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1h6k h ARG 746 CO 0.06 0.77 -0.02 1.25 0.56 0.00 0.00 179.97 182.58 1h6k h LEU 747 N 0.25 0.21 -0.83 3.04 5.85 -1.09 -2.20 115.31 120.54 1h6k h LEU 747 Ca 0.01 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1h6k h LEU 747 Cb 1.00 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 1h6k h LEU 747 CO 0.09 0.53 0.46 -0.61 -0.34 0.00 0.00 178.44 178.56 1h6k h GLN 748 N -0.11 0.72 -0.54 1.25 4.15 -1.08 -1.88 115.11 117.63 1h6k h GLN 748 Ca 0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1h6k h GLN 748 Cb 0.43 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1h6k h GLN 748 CO 0.01 0.48 0.28 0.37 -1.93 0.00 0.00 178.83 178.04 1h6k h GLN 749 N 0.74 0.74 -0.29 1.69 4.15 -0.33 -0.09 115.11 121.71 1h6k h GLN 749 Ca 0.42 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.78 1h6k h GLN 749 Cb 0.45 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1h6k h GLN 749 CO -0.28 0.56 0.14 0.82 -1.93 0.00 0.00 178.83 178.13 1h6k h ILE 750 N 0.75 0.97 -0.41 2.39 1.08 -0.73 0.14 117.51 121.70 1h6k h ILE 750 Ca 0.19 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1h6k h ILE 750 Cb 0.04 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1h6k h ILE 750 CO -0.03 0.05 0.16 -0.26 -0.69 0.00 0.00 178.15 177.38 1h6k h PHE 751 N 0.29 0.63 -0.71 1.37 0.04 -1.28 -2.34 116.94 114.94 1h6k h PHE 751 Ca 0.12 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 1h6k h PHE 751 Cb 0.05 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1h6k h PHE 751 CO -0.11 0.56 0.24 -0.07 -0.60 0.00 0.00 178.31 178.33 1h6k h LEU 752 N 0.52 1.02 -0.37 1.54 3.38 -0.65 -1.17 115.31 119.58 1h6k h LEU 752 Ca 0.14 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1h6k h LEU 752 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1h6k h LEU 752 CO -0.01 0.95 -0.71 -0.61 0.09 0.00 0.00 178.44 178.14 1h6k h GLN 753 N 1.03 0.00 -0.13 1.13 4.15 -0.63 -3.34 115.11 117.33 1h6k h GLN 753 Ca 0.23 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.51 1h6k h GLN 753 Cb 0.28 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.77 1h6k h GLN 753 CO -0.01 0.71 -0.76 0.72 -1.93 0.00 0.00 178.83 177.56 1h6k n HIS 754 N -3.49 0.44 -0.32 3.99 8.25 -0.89 -4.89 115.22 118.31 1h6k n HIS 754 Ca -0.00 -1.32 0.09 0.00 -0.26 0.00 0.00 57.72 56.23 1h6k n HIS 754 Cb 0.75 -0.23 0.26 0.00 1.12 0.00 0.00 29.99 31.89 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 1.27 0.92 -0.72 4.41 2.07 -1.34 -0.99 115.15 120.78 1h6k h HIS 755 Ca -0.04 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.47 1h6k h HIS 755 Cb 1.37 -0.27 -0.03 0.00 2.57 0.00 0.00 27.41 31.05 1h6k h HIS 755 CO 0.57 0.23 0.28 0.37 -3.07 0.00 0.00 177.93 176.30 1h6k h GLN 756 N 0.72 1.07 -0.03 5.12 5.75 -1.90 -1.25 115.11 124.58 1h6k h GLN 756 Ca 0.51 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 1h6k h GLN 756 Cb 0.73 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1h6k h GLN 756 CO -0.36 0.87 -0.05 0.82 -2.65 0.00 0.00 178.83 177.46 1h6k h ILE 757 N 1.04 1.43 0.00 2.39 2.04 -1.65 -3.29 117.51 119.48 1h6k h ILE 757 Ca 0.24 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1h6k h ILE 757 Cb 0.21 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1h6k h ILE 757 CO -0.02 0.36 -0.17 0.40 0.00 0.00 0.00 178.15 178.72 1h6k h ILE 758 N -0.45 0.97 -0.12 -0.67 2.04 -1.08 -1.94 117.51 116.26 1h6k h ILE 758 Ca 0.00 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1h6k h ILE 758 Cb 0.61 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1h6k h ILE 758 CO 0.01 0.17 0.14 1.56 0.00 0.00 0.00 178.15 180.03 1h6k h GLN 759 N 0.00 0.00 0.00 2.37 4.20 -1.29 0.19 115.11 120.58 1h6k h GLN 759 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h6k h GLN 759 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1h6k h GLN 759 CO 0.02 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.14 1h6k h GLN 760 N 0.00 0.00 -0.42 1.46 4.20 -1.49 -3.25 115.11 115.61 1h6k h GLN 760 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1h6k h GLN 760 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1h6k h GLN 760 CO -0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 1h6k n TYR 761 N -2.40 0.56 -0.21 2.96 0.53 0.66 -4.75 117.16 114.50 1h6k n TYR 761 Ca 0.03 -0.44 -0.01 0.00 -1.02 0.00 0.00 57.90 56.46 1h6k n TYR 761 Cb 0.30 -0.02 0.06 0.00 -1.03 0.00 0.00 39.34 38.65 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 2.79 -0.01 0.46 -0.72 2.86 -1.59 0.55 114.93 119.27 1h6k h MET 762 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1h6k h MET 762 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1h6k h MET 762 CO 0.00 -0.01 -0.23 0.28 1.06 0.00 0.00 176.91 178.01 1h6k h VAL 763 N -0.02 0.54 -0.56 -2.22 2.07 -1.90 0.17 116.25 114.34 1h6k h VAL 763 Ca 0.29 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.90 1h6k h VAL 763 Cb 0.46 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1h6k h VAL 763 CO -0.64 0.00 0.16 0.74 0.02 0.00 0.00 177.57 177.85 1h6k h THR 764 N -0.63 0.74 -0.27 2.57 2.02 -1.81 0.76 112.91 116.29 1h6k h THR 764 Ca -0.06 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1h6k h THR 764 Cb 0.48 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1h6k h THR 764 CO 0.10 0.06 0.11 -0.07 0.37 0.00 0.00 175.52 176.09 1h6k h LEU 765 N 0.32 0.38 -0.73 2.58 3.38 -0.54 0.68 115.31 121.38 1h6k h LEU 765 Ca 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1h6k h LEU 765 Cb 0.36 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1h6k h LEU 765 CO -0.32 0.44 0.33 -0.08 0.09 0.00 0.00 178.44 178.90 1h6k h GLU 766 N 0.29 1.07 0.02 1.13 4.81 -0.24 0.79 114.58 122.45 1h6k h GLU 766 Ca 0.09 -0.17 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 1h6k h GLU 766 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1h6k h GLU 766 CO -0.01 0.85 -0.95 -0.91 -0.73 0.00 0.00 179.01 177.26 1h6k h ASN 767 N 1.03 0.25 0.00 1.04 2.35 -0.65 -3.34 115.58 116.26 1h6k h ASN 767 Ca 0.25 -0.22 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 1h6k h ASN 767 Cb 0.16 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1h6k h ASN 767 CO -0.03 1.07 -1.80 0.18 -1.65 0.00 0.00 177.43 175.20 1h6k n LEU 768 N -3.60 0.00 0.03 1.61 4.77 0.22 -4.90 117.00 115.14 1h6k n LEU 768 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1h6k n LEU 768 Cb 0.86 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 1h6k n LEU 768 CO 0.49 0.28 0.00 0.18 -1.33 0.00 0.00 177.39 177.01 1h6k n LEU 769 N -2.42 0.68 -4.08 2.23 4.77 -0.51 -4.85 117.00 112.81 1h6k n LEU 769 Ca -0.19 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1h6k n LEU 769 Cb 0.87 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1h6k n LEU 769 CO 0.25 -0.67 1.90 0.49 -1.33 0.00 0.00 177.39 178.03 1h6k n PHE 770 N -3.14 3.75 -3.21 -1.77 3.01 0.15 -4.88 117.46 111.37 1h6k n PHE 770 Ca 0.00 -2.98 -0.23 0.00 1.01 0.00 0.00 57.45 55.25 1h6k n PHE 770 Cb 0.00 -2.16 -0.00 0.00 -0.01 0.00 0.00 39.48 37.31 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 1.45 4.52 0.62 4.37 -4.23 -1.25 -4.39 115.64 116.74 1h6k s THR 771 Ca 0.43 -0.53 0.30 0.00 -1.18 0.00 0.00 61.69 60.71 1h6k s THR 771 Cb 0.06 -3.65 0.35 0.00 1.34 0.00 0.00 72.50 70.60 1h6k s THR 771 CO -0.00 -0.42 1.98 0.00 -0.54 0.00 0.00 174.62 175.63 1h6k h ALA 772 N 0.61 1.71 -0.00 3.99 0.00 -1.93 -0.27 119.26 123.37 1h6k h ALA 772 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1h6k h ALA 772 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1h6k h ALA 772 CO 0.59 -0.44 -0.31 0.39 0.00 0.00 0.00 179.25 179.48 1h6k n GLU 773 N -3.39 0.44 -2.17 0.00 -0.58 -1.26 -4.90 120.64 108.78 1h6k n GLU 773 Ca 0.02 -0.23 -0.39 0.00 -0.42 0.00 0.00 57.16 56.14 1h6k n GLU 773 Cb 0.45 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 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 -2.72 4.25 0.14 -4.62 0.20 -0.11 -4.91 118.68 110.90 1h6k s LEU 774 Ca 0.19 2.53 -0.34 0.00 0.69 0.00 0.00 54.13 57.20 1h6k s LEU 774 Cb 0.19 -3.90 -0.16 0.00 -0.43 0.00 0.00 46.19 41.89 1h6k s LEU 774 CO 0.58 -0.71 1.22 -0.67 -0.29 0.00 0.00 176.35 176.48 1h6k n ASP 775 N 0.25 1.41 -0.07 3.68 -0.08 -1.26 -4.65 116.55 115.83 1h6k n ASP 775 Ca 0.03 1.13 0.17 0.00 -1.51 0.00 0.00 54.79 54.61 1h6k n ASP 775 Cb 0.44 -1.20 0.59 0.00 2.34 0.00 0.00 41.12 43.30 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 3.78 0.21 -0.84 -0.67 0.13 -1.94 -1.01 132.00 131.65 1h6k h PRO 776 Ca -0.45 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1h6k h PRO 776 Cb 1.34 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1h6k h PRO 776 CO 0.73 0.14 0.55 0.45 -0.23 0.00 0.00 178.00 179.64 1h6k h HIS 777 N 0.22 0.96 0.07 1.56 3.86 -2.01 0.36 115.15 120.17 1h6k h HIS 777 Ca 0.29 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1h6k h HIS 777 Cb 0.85 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1h6k h HIS 777 CO -0.00 0.52 -0.80 0.82 0.86 0.00 0.00 177.93 179.33 1h6k h ILE 778 N 0.96 1.38 -0.95 2.45 2.04 -1.57 -3.35 117.51 118.47 1h6k h ILE 778 Ca 0.36 -2.39 0.12 0.00 1.00 0.00 0.00 64.86 63.94 1h6k h ILE 778 Cb 0.18 2.98 -0.08 0.00 -0.74 0.00 0.00 36.82 39.15 1h6k h ILE 778 CO -0.12 0.62 0.58 0.25 0.00 0.00 0.00 178.15 179.47 1h6k h LEU 779 N -0.64 0.83 -0.98 1.44 7.12 -1.18 -2.16 115.31 119.75 1h6k h LEU 779 Ca -0.17 0.05 0.24 0.00 0.13 0.00 0.00 57.88 58.13 1h6k h LEU 779 Cb 1.43 -0.11 -0.12 0.00 -0.53 0.00 0.00 40.66 41.32 1h6k h LEU 779 CO 0.03 0.44 0.55 0.00 -0.13 0.00 0.00 178.44 179.32 1h6k h ALA 780 N 1.52 1.71 -0.66 1.25 0.00 -1.05 0.28 119.26 122.32 1h6k h ALA 780 Ca 0.47 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1h6k h ALA 780 Cb 0.48 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1h6k h ALA 780 CO -0.27 -0.29 0.25 0.28 0.00 0.00 0.00 179.25 179.22 1h6k h VAL 781 N 0.54 1.24 -0.55 0.00 2.07 -1.55 0.46 116.25 118.46 1h6k h VAL 781 Ca 0.63 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1h6k h VAL 781 Cb 1.19 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1h6k h VAL 781 CO -0.49 0.30 0.13 0.15 0.02 0.00 0.00 177.57 177.69 1h6k h PHE 782 N 0.93 0.91 -0.59 1.57 3.57 -1.07 -0.88 116.94 121.39 1h6k h PHE 782 Ca 0.22 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1h6k h PHE 782 Cb 0.23 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1h6k h PHE 782 CO 0.01 0.79 -0.03 1.96 -2.23 0.00 0.00 178.31 178.82 1h6k h GLN 783 N 0.77 1.05 -0.75 1.11 4.20 -0.51 -0.52 115.11 120.47 1h6k h GLN 783 Ca 0.17 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1h6k h GLN 783 Cb 0.34 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1h6k h GLN 783 CO 0.00 1.05 0.40 1.96 -0.67 0.00 0.00 178.83 181.57 1h6k h GLN 784 N 0.95 1.05 -0.53 1.46 4.20 0.05 -0.56 115.11 121.73 1h6k h GLN 784 Ca 0.16 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1h6k h GLN 784 Cb 0.59 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1h6k h GLN 784 CO 0.04 0.79 0.22 0.35 -0.67 0.00 0.00 178.83 179.56 1h6k h PHE 785 N 1.03 0.79 -0.69 2.96 3.57 -0.57 -2.51 116.94 121.52 1h6k h PHE 785 Ca 0.26 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1h6k h PHE 785 Cb 0.05 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1h6k h PHE 785 CO 0.00 0.64 0.30 0.00 -2.23 0.00 0.00 178.31 177.02 1h6k h ALA 787 N 1.14 1.31 0.00 0.00 0.00 -0.65 -2.00 119.26 119.06 1h6k h ALA 787 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h6k h ALA 787 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1h6k h ALA 787 CO -0.02 -0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 178.83 1h6k h LEU 788 N 0.00 0.00 -1.52 0.00 3.38 -1.33 -3.14 115.31 112.70 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1h6k h LEU 788 CO -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 178.44 178.52 1h6k n GLN 789 N -3.19 0.64 0.00 1.13 1.13 -0.77 -4.35 117.38 111.97 1h6k n GLN 789 Ca -0.01 -0.78 0.16 0.00 -1.94 0.00 0.00 57.00 54.42 1h6k n GLN 789 Cb 0.20 -0.62 0.92 0.00 0.11 0.00 0.00 30.24 30.84 1h6k n GLN 789 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62