#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n54 n ASN 25 N 0.00 1.88 0.30 0.00 4.13 -1.26 -4.16 115.26 116.15 1n54 n ASN 25 Ca 0.00 -2.13 0.17 0.00 1.68 0.00 0.00 54.58 54.30 1n54 n ASN 25 Cb 0.00 -0.53 0.93 0.00 -1.54 0.00 0.00 39.78 38.64 1n54 n ASN 25 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1n54 h GLU 26 N 0.43 0.00 0.01 3.52 4.57 -2.05 0.08 114.58 121.13 1n54 h GLU 26 Ca 0.02 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.99 1n54 h GLU 26 Cb 0.79 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 1n54 h GLU 26 CO 0.08 0.04 -0.99 0.00 -1.18 0.00 0.00 179.01 176.95 1n54 h THR 27 N 0.00 1.70 -0.01 0.32 1.03 -2.00 -2.48 112.91 111.47 1n54 h THR 27 Ca -0.00 -3.35 -0.16 0.00 -0.01 0.00 0.00 66.41 62.88 1n54 h THR 27 Cb 0.16 2.82 -0.02 0.00 -1.07 0.00 0.00 68.15 70.05 1n54 h THR 27 CO 0.01 0.96 -0.75 -0.33 -0.01 0.00 0.00 175.52 175.39 1n54 h GLU 28 N 0.00 0.06 0.08 0.00 5.08 -1.31 -2.59 114.58 115.90 1n54 h GLU 28 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1n54 h GLU 28 Cb 1.75 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1n54 h GLU 28 CO 0.13 0.78 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.45 1n54 h ASP 29 N 0.04 -0.09 -0.54 1.42 3.32 -1.45 -3.03 116.42 116.10 1n54 h ASP 29 Ca -0.01 -0.51 0.08 0.00 0.02 0.00 0.00 57.03 56.61 1n54 h ASP 29 Cb 1.32 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1n54 h ASP 29 CO 0.10 0.58 0.36 0.45 -1.72 0.00 0.00 179.24 179.01 1n54 h HIS 30 N -0.87 0.40 0.59 4.55 3.86 -1.50 -2.44 115.15 119.74 1n54 h HIS 30 Ca -0.01 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1n54 h HIS 30 Cb 0.59 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.94 1n54 h HIS 30 CO 0.13 0.20 -0.29 -0.07 0.86 0.00 0.00 177.93 178.77 1n54 h LEU 31 N 0.39 -0.68 -1.79 2.43 3.38 -1.55 -0.43 115.31 117.05 1n54 h LEU 31 Ca 0.24 -0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.54 1n54 h LEU 31 Cb 0.46 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1n54 h LEU 31 CO -0.06 -0.29 0.81 -0.08 0.09 0.00 0.00 178.44 178.91 1n54 h GLU 32 N -1.15 0.11 0.21 1.13 4.81 -1.35 0.35 114.58 118.69 1n54 h GLU 32 Ca -0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1n54 h GLU 32 Cb 0.65 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1n54 h GLU 32 CO 0.13 0.07 -0.10 1.03 -0.73 0.00 0.00 179.01 179.41 1n54 h SER 33 N 0.11 -0.24 -0.10 1.04 0.87 -1.32 -2.89 113.55 111.01 1n54 h SER 33 Ca 0.59 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1n54 h SER 33 Cb 2.10 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 64.12 1n54 h SER 33 CO -0.11 0.27 0.07 -0.07 -0.53 0.00 0.00 176.83 176.46 1n54 h LEU 34 N -0.88 0.05 0.31 2.23 3.38 0.91 0.41 115.31 121.72 1n54 h LEU 34 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1n54 h LEU 34 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1n54 h LEU 34 CO 0.05 0.03 -0.15 0.40 0.09 0.00 0.00 178.44 178.86 1n54 h ILE 35 N 0.05 0.72 -0.23 1.22 1.08 -0.43 -3.26 117.51 116.66 1n54 h ILE 35 Ca 0.04 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 1n54 h ILE 35 Cb 0.11 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1n54 h ILE 35 CO -0.00 0.06 -0.08 0.00 -0.69 0.00 0.00 178.15 177.43 1n54 h LYS 37 N 0.17 0.00 0.00 0.00 6.56 -0.26 -1.93 116.57 121.12 1n54 h LYS 37 Ca 0.05 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1n54 h LYS 37 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1n54 h LYS 37 CO 0.03 0.00 -0.07 -0.39 -2.06 0.00 0.00 179.45 176.96 1n54 h VAL 38 N 0.00 1.64 -0.78 0.50 -1.51 -1.60 -3.30 116.25 111.20 1n54 h VAL 38 Ca 0.12 -1.97 -0.01 0.00 -1.23 0.00 0.00 66.70 63.61 1n54 h VAL 38 Cb 1.54 2.96 -0.04 0.00 -2.13 0.00 0.00 31.29 33.62 1n54 h VAL 38 CO -0.00 0.52 0.43 1.23 -1.23 0.00 0.00 177.57 178.51 1n54 h GLY 39 N -0.76 1.15 -1.88 5.19 0.00 -1.54 -3.43 103.07 101.80 1n54 h GLY 39 Ca -0.01 -0.51 -0.53 0.00 0.00 0.00 0.00 47.33 46.28 1n54 h GLY 39 CO 0.01 0.49 0.42 -0.54 0.00 0.00 0.00 176.54 176.93 1n54 s GLU 40 N -5.72 2.54 1.02 4.80 2.02 -1.03 -4.96 118.70 117.37 1n54 s GLU 40 Ca -0.11 1.74 -0.16 0.00 0.02 0.00 0.00 54.97 56.45 1n54 s GLU 40 Cb 0.17 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.54 1n54 s GLU 40 CO 0.81 -1.52 0.00 0.36 0.02 0.00 0.00 175.26 174.93 1n54 n LYS 41 N -2.25 -0.74 -3.82 1.61 2.85 -1.26 -4.94 118.16 109.60 1n54 n LYS 41 Ca 0.13 -0.19 -0.08 0.00 -1.05 0.00 0.00 58.31 57.12 1n54 n LYS 41 Cb 0.50 -1.66 0.02 0.00 -0.65 0.00 0.00 35.03 33.24 1n54 n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1n54 s SER 42 N -1.78 -0.03 -0.34 -5.58 1.04 -1.26 -4.96 113.70 100.79 1n54 s SER 42 Ca 0.53 -1.00 0.08 0.00 0.48 0.00 0.00 55.95 56.04 1n54 s SER 42 Cb -0.15 0.78 0.61 0.00 0.10 0.00 0.00 66.02 67.36 1n54 s SER 42 CO 0.68 -1.54 1.67 0.00 0.98 0.00 0.00 173.24 175.04 1n54 n ALA 43 N -0.54 4.64 -3.06 5.32 0.00 -1.26 -4.95 120.51 120.66 1n54 n ALA 43 Ca -0.07 -2.83 -0.09 0.00 0.00 0.00 0.00 53.44 50.45 1n54 n ALA 43 Cb 0.60 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 1n54 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n54 s SER 45 N -2.92 6.25 0.49 0.00 1.04 -1.26 -4.92 113.70 112.39 1n54 s SER 45 Ca 0.13 2.63 0.18 0.00 0.48 0.00 0.00 55.95 59.38 1n54 s SER 45 Cb 0.01 -2.64 1.22 0.00 0.10 0.00 0.00 66.02 64.71 1n54 s SER 45 CO -0.01 -0.89 2.04 0.25 0.98 0.00 0.00 173.24 175.61 1n54 h LEU 46 N 2.58 0.14 0.30 2.42 5.85 -1.99 -2.45 115.31 122.17 1n54 h LEU 46 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1n54 h LEU 46 Cb 1.25 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1n54 h LEU 46 CO 0.62 0.09 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.30 1n54 h GLU 47 N 0.16 -0.44 -0.63 1.25 3.07 -1.93 -1.79 114.58 114.28 1n54 h GLU 47 Ca 0.18 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.16 1n54 h GLU 47 Cb 0.52 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.46 1n54 h GLU 47 CO -0.03 -0.29 0.27 0.66 -1.40 0.00 0.00 179.01 178.23 1n54 h SER 48 N -0.46 0.33 -0.70 1.42 4.64 -1.83 0.27 113.55 117.23 1n54 h SER 48 Ca -0.03 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1n54 h SER 48 Cb 0.37 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1n54 h SER 48 CO 0.04 0.20 0.39 0.78 -0.87 0.00 0.00 176.83 177.37 1n54 h ASN 49 N 0.49 0.88 -0.01 4.97 4.21 -1.40 0.85 115.58 125.56 1n54 h ASN 49 Ca 0.31 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 1n54 h ASN 49 Cb 0.34 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1n54 h ASN 49 CO -0.27 0.71 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.44 1n54 h LEU 50 N 0.99 0.08 -0.16 1.61 3.38 -0.51 -0.47 115.31 120.23 1n54 h LEU 50 Ca 0.25 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.57 1n54 h LEU 50 Cb 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1n54 h LEU 50 CO -0.04 0.75 -0.06 -0.08 0.09 0.00 0.00 178.44 179.10 1n54 h GLU 51 N -0.60 -0.03 -0.13 1.13 4.57 -0.17 0.89 114.58 120.24 1n54 h GLU 51 Ca -0.01 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1n54 h GLU 51 Cb 0.75 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1n54 h GLU 51 CO 0.01 -0.02 0.06 0.78 -1.18 0.00 0.00 179.01 178.66 1n54 h GLY 52 N -0.03 0.17 1.89 1.92 0.00 0.65 -1.40 103.07 106.26 1n54 h GLY 52 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1n54 h GLY 52 CO -0.18 0.04 0.04 -2.00 0.00 0.00 0.00 176.54 174.44 1n54 h LEU 53 N 0.14 0.00 0.41 3.11 5.85 -0.46 -2.99 115.31 121.36 1n54 h LEU 53 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1n54 h LEU 53 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1n54 h LEU 53 CO -0.04 0.00 -0.24 0.00 -0.34 0.00 0.00 178.44 177.83 1n54 h ALA 54 N 1.95 -1.10 -0.02 1.25 0.00 0.32 -1.52 119.26 120.14 1n54 h ALA 54 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n54 h ALA 54 Cb 0.10 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n54 h ALA 54 CO -0.00 -1.07 0.01 0.78 0.00 0.00 0.00 179.25 178.97 1n54 h GLY 55 N -0.60 0.00 0.75 0.00 0.00 -1.53 0.76 103.07 102.46 1n54 h GLY 55 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1n54 h GLY 55 CO 0.06 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.42 1n54 h VAL 56 N 0.00 0.86 -0.40 4.60 2.07 -1.38 0.21 116.25 122.21 1n54 h VAL 56 Ca 0.01 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 1n54 h VAL 56 Cb 0.04 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1n54 h VAL 56 CO -0.00 0.11 -0.27 -0.07 0.02 0.00 0.00 177.57 177.36 1n54 h LEU 57 N -0.55 0.93 -0.39 2.57 3.38 -0.76 -2.71 115.31 117.78 1n54 h LEU 57 Ca -0.03 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1n54 h LEU 57 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1n54 h LEU 57 CO 0.05 1.17 0.20 -0.08 0.09 0.00 0.00 178.44 179.87 1n54 h GLU 58 N 0.71 0.55 0.00 1.13 4.81 -0.85 0.18 114.58 121.11 1n54 h GLU 58 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1n54 h GLU 58 Cb 0.85 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1n54 h GLU 58 CO 0.07 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 1n54 h ALA 59 N 1.06 1.00 -0.31 2.92 0.00 -0.52 -1.81 119.26 121.60 1n54 h ALA 59 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n54 h ALA 59 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n54 h ALA 59 CO -0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1n54 n ASP 60 N -2.55 3.12 -0.05 0.00 10.43 -0.02 -4.36 116.55 123.13 1n54 n ASP 60 Ca -0.02 -2.25 -0.11 0.00 2.57 0.00 0.00 54.79 54.99 1n54 n ASP 60 Cb 0.06 -0.30 -0.09 0.00 1.84 0.00 0.00 41.12 42.63 1n54 n ASP 60 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1n54 h LEU 61 N 1.89 -0.02 -0.25 0.64 3.38 -0.59 -3.08 115.31 117.27 1n54 h LEU 61 Ca 0.00 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 1n54 h LEU 61 Cb 0.90 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1n54 h LEU 61 CO 0.05 0.78 0.15 -0.65 0.09 0.00 0.00 178.44 178.87 1n54 h PRO 62 N -0.95 0.34 -4.00 1.13 0.11 -1.81 -2.02 132.00 124.81 1n54 h PRO 62 Ca -0.00 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.41 1n54 h PRO 62 Cb 0.70 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1n54 h PRO 62 CO 0.00 0.28 2.91 0.09 -0.21 0.00 0.00 178.00 181.07 1n54 n ASN 63 N -4.87 4.06 -2.53 -2.05 4.13 -1.23 -4.56 115.26 108.20 1n54 n ASN 63 Ca -0.02 -2.72 -0.02 0.00 1.68 0.00 0.00 54.58 53.50 1n54 n ASN 63 Cb 0.06 -1.43 -0.02 0.00 -1.54 0.00 0.00 39.78 36.85 1n54 n ASN 63 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1n54 n TYR 64 N 6.11 -2.75 0.07 3.10 4.02 -0.82 -4.68 117.16 122.21 1n54 n TYR 64 Ca 0.54 1.62 -0.03 0.00 -0.01 0.00 0.00 57.90 60.02 1n54 n TYR 64 Cb 0.36 -2.70 -0.01 0.00 -0.02 0.00 0.00 39.34 36.96 1n54 n TYR 64 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1n54 h LYS 65 N 4.38 -0.18 0.00 -0.72 3.64 -1.52 -3.39 116.57 118.77 1n54 h LYS 65 Ca -0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1n54 h LYS 65 Cb 0.42 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1n54 h LYS 65 CO 0.00 -0.12 0.00 0.43 -2.27 0.00 0.00 179.45 177.49 1n54 n SER 66 N -2.67 0.00 0.18 4.20 7.64 -1.26 0.86 113.62 122.58 1n54 n SER 66 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 1n54 n SER 66 Cb 0.08 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 1n54 n SER 66 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1n54 h LYS 67 N 0.00 -0.48 0.00 1.43 1.63 -1.98 -2.48 116.57 114.69 1n54 h LYS 67 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1n54 h LYS 67 Cb 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1n54 h LYS 67 CO 0.00 -0.16 0.08 -0.89 -3.45 0.00 0.00 179.45 175.02 1n54 n ILE 68 N -5.14 1.46 -0.05 2.00 5.41 0.25 -1.22 119.36 122.07 1n54 n ILE 68 Ca -0.09 0.58 -0.02 0.00 1.00 0.00 0.00 62.75 64.22 1n54 n ILE 68 Cb 0.28 -1.58 -0.01 0.00 -0.71 0.00 0.00 39.64 37.62 1n54 n ILE 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1n54 h LEU 69 N 0.00 0.00 0.00 1.39 5.85 -1.46 -3.06 115.31 118.03 1n54 h LEU 69 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n54 h LEU 69 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1n54 h LEU 69 CO 0.00 0.56 0.00 0.54 -0.34 0.00 0.00 178.44 179.20 1n54 n ARG 70 N -4.33 0.10 -0.12 1.25 1.74 -0.75 -2.02 116.66 112.54 1n54 n ARG 70 Ca -0.04 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 1n54 n ARG 70 Cb 0.13 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 1n54 n ARG 70 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n54 n LEU 71 N -1.24 1.90 0.22 0.55 4.77 -0.35 -3.74 117.00 119.11 1n54 n LEU 71 Ca 0.03 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1n54 n LEU 71 Cb 0.04 -0.90 0.50 0.00 -2.33 0.00 0.00 43.42 40.73 1n54 n LEU 71 CO 0.04 0.35 0.85 -0.07 -1.33 0.00 0.00 177.39 177.23 1n54 h LEU 72 N -1.00 0.00 -0.62 2.23 3.38 -1.36 -2.07 115.31 115.87 1n54 h LEU 72 Ca -0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 1n54 h LEU 72 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1n54 h LEU 72 CO -0.28 0.24 -0.20 0.00 0.09 0.00 0.00 178.44 178.29 1n54 h THR 74 N 0.77 1.20 -0.03 0.00 2.02 -1.48 -1.67 112.91 113.72 1n54 h THR 74 Ca 0.11 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1n54 h THR 74 Cb 0.74 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1n54 h THR 74 CO 0.06 0.18 0.06 0.58 0.37 0.00 0.00 175.52 176.77 1n54 h VAL 75 N -0.08 0.29 -0.04 3.16 2.07 -1.38 -0.05 116.25 120.21 1n54 h VAL 75 Ca 0.03 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1n54 h VAL 75 Cb 0.26 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1n54 h VAL 75 CO 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 177.57 177.04 1n54 h ALA 76 N 1.91 0.99 0.00 1.67 0.00 -0.77 -3.00 119.26 120.06 1n54 h ALA 76 Ca 0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1n54 h ALA 76 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1n54 h ALA 76 CO -0.00 0.70 -1.31 2.89 0.00 0.00 0.00 179.25 181.53 1n54 n ARG 77 N -3.89 0.53 -0.00 0.00 1.85 -0.20 -4.44 116.66 110.50 1n54 n ARG 77 Ca -0.02 0.33 0.07 0.00 -1.00 0.00 0.00 57.85 57.23 1n54 n ARG 77 Cb 0.57 -1.54 0.41 0.00 -1.05 0.00 0.00 32.46 30.85 1n54 n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1n54 n LEU 78 N -4.44 0.01 -3.15 2.89 4.77 -0.22 -4.11 117.00 112.75 1n54 n LEU 78 Ca -0.25 -0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.54 1n54 n LEU 78 Cb 0.58 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1n54 n LEU 78 CO 0.14 0.00 -0.20 0.18 -1.33 0.00 0.00 177.39 176.18 1n54 n LEU 79 N -0.71 0.45 -0.06 2.23 4.77 -1.13 -4.96 117.00 117.59 1n54 n LEU 79 Ca 0.10 -4.84 -0.10 0.00 -0.03 0.00 0.00 56.01 51.14 1n54 n LEU 79 Cb 0.05 0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1n54 n LEU 79 CO 0.08 2.23 0.90 -0.65 -1.33 0.00 0.00 177.39 178.62 1n54 h PRO 80 N 3.21 0.31 -0.14 3.23 0.11 -1.78 -2.48 132.00 134.44 1n54 h PRO 80 Ca 0.08 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1n54 h PRO 80 Cb 0.96 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1n54 h PRO 80 CO 0.47 0.30 0.41 1.05 -0.21 0.00 0.00 178.00 180.02 1n54 h GLU 81 N 0.23 0.00 -0.45 1.05 9.09 -1.89 0.84 114.58 123.45 1n54 h GLU 81 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1n54 h GLU 81 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1n54 h GLU 81 CO -0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.68 1n54 n LYS 82 N -3.13 3.14 0.00 1.06 4.01 -0.94 -4.87 118.16 117.42 1n54 n LYS 82 Ca 0.01 -2.53 0.00 0.00 -0.51 0.00 0.00 58.31 55.28 1n54 n LYS 82 Cb 0.50 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1n54 n LYS 82 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1n54 n LEU 83 N 0.58 0.00 -0.43 -0.35 7.94 0.29 -2.09 117.00 122.95 1n54 n LEU 83 Ca 0.19 0.08 0.38 0.00 -1.11 0.00 0.00 56.01 55.55 1n54 n LEU 83 Cb 0.69 0.00 0.65 0.00 0.53 0.00 0.00 43.42 45.29 1n54 n LEU 83 CO 0.15 0.00 1.18 0.71 -1.11 0.00 0.00 177.39 178.32 1n54 h THR 84 N 0.00 0.01 -0.53 1.96 1.35 -1.84 -0.33 112.91 113.52 1n54 h THR 84 Ca 0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1n54 h THR 84 Cb 0.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 1n54 h THR 84 CO 0.00 0.00 0.26 0.40 -0.25 0.00 0.00 175.52 175.93 1n54 h ILE 85 N 0.00 1.20 0.00 6.82 2.04 -1.71 -2.51 117.51 123.36 1n54 h ILE 85 Ca 0.87 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 66.10 1n54 h ILE 85 Cb 2.66 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 1n54 h ILE 85 CO -0.57 0.22 -0.50 1.88 0.00 0.00 0.00 178.15 179.19 1n54 h TYR 86 N 0.71 0.00 -0.62 1.37 0.05 -0.99 -2.70 116.97 114.79 1n54 h TYR 86 Ca 0.18 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.88 1n54 h TYR 86 Cb 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1n54 h TYR 86 CO -0.01 0.38 0.07 1.79 -1.05 0.00 0.00 178.16 179.34 1n54 h THR 87 N 0.00 1.26 -0.22 -2.88 1.35 -1.24 -1.79 112.91 109.39 1n54 h THR 87 Ca -0.02 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1n54 h THR 87 Cb 1.30 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1n54 h THR 87 CO 0.05 0.39 0.07 0.74 -0.25 0.00 0.00 175.52 176.51 1n54 h THR 88 N 0.97 1.19 -0.27 6.82 2.02 -1.36 -0.11 112.91 122.16 1n54 h THR 88 Ca 0.19 -0.60 0.07 0.00 0.77 0.00 0.00 66.41 66.84 1n54 h THR 88 Cb 0.46 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 1n54 h THR 88 CO 0.02 0.19 -0.26 0.25 0.37 0.00 0.00 175.52 176.09 1n54 h LEU 89 N 0.18 -0.83 -2.19 2.58 5.85 -1.30 0.86 115.31 120.47 1n54 h LEU 89 Ca 0.07 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1n54 h LEU 89 Cb 0.23 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1n54 h LEU 89 CO -0.00 -0.29 0.12 0.58 -0.34 0.00 0.00 178.44 178.51 1n54 h VAL 90 N -0.25 0.67 0.52 1.05 2.07 -0.93 -2.24 116.25 117.14 1n54 h VAL 90 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1n54 h VAL 90 Cb 0.48 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1n54 h VAL 90 CO -0.42 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.15 1n54 h GLY 91 N 0.00 -0.73 -0.56 2.17 0.00 0.25 -2.15 103.07 102.05 1n54 h GLY 91 Ca 0.07 0.27 0.34 0.00 0.00 0.00 0.00 47.33 48.01 1n54 h GLY 91 CO -0.00 -0.27 0.77 1.41 0.00 0.00 0.00 176.54 178.45 1n54 h LEU 92 N -0.97 0.32 -0.77 3.11 -0.00 -0.35 1.15 115.31 117.80 1n54 h LEU 92 Ca -0.07 0.10 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 1n54 h LEU 92 Cb 0.54 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 1n54 h LEU 92 CO 0.12 -0.03 -0.43 -0.07 -0.00 0.00 0.00 178.44 178.03 1n54 h LEU 93 N 0.23 0.44 -0.21 1.67 4.07 -1.34 -2.98 115.31 117.20 1n54 h LEU 93 Ca 0.68 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 58.41 1n54 h LEU 93 Cb 2.02 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.63 1n54 h LEU 93 CO -0.31 0.81 -0.01 -1.13 -1.08 0.00 0.00 178.44 176.72 1n54 h ASN 94 N 0.34 0.36 0.00 -0.43 -1.24 0.20 0.42 115.58 115.23 1n54 h ASN 94 Ca 0.03 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1n54 h ASN 94 Cb 0.89 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1n54 h ASN 94 CO 0.07 0.59 0.00 0.00 -1.29 0.00 0.00 177.43 176.81 1n54 n ALA 95 N -2.34 2.86 0.00 1.57 0.00 -0.41 -2.04 120.51 120.16 1n54 n ALA 95 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n54 n ALA 95 Cb 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1n54 n ALA 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n54 n ARG 96 N 0.96 1.07 -3.23 0.00 1.74 -0.98 -4.97 116.66 111.25 1n54 n ARG 96 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1n54 n ARG 96 Cb 0.43 -0.13 -0.02 0.00 -1.02 0.00 0.00 32.46 31.72 1n54 n ARG 96 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1n54 s ASN 97 N -0.30 -0.99 0.13 0.55 2.47 0.14 -5.03 114.94 111.92 1n54 s ASN 97 Ca 0.00 -0.77 -0.30 0.00 0.42 0.00 0.00 52.86 52.21 1n54 s ASN 97 Cb 0.00 1.69 -0.07 0.00 -1.45 0.00 0.00 41.25 41.42 1n54 s ASN 97 CO 0.00 -0.21 1.57 0.22 -3.72 0.00 0.00 177.10 174.96 1n54 h TYR 98 N 7.20 -1.38 0.00 0.43 3.20 -1.76 -1.15 116.97 123.52 1n54 h TYR 98 Ca 0.03 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1n54 h TYR 98 Cb 1.16 0.63 0.00 0.00 1.54 0.00 0.00 36.73 40.06 1n54 h TYR 98 CO 0.20 -0.49 0.29 0.09 -1.64 0.00 0.00 178.16 176.61 1n54 n ASN 99 N -5.43 0.22 -0.07 -2.11 3.02 -1.26 -1.69 115.26 107.94 1n54 n ASN 99 Ca -0.04 0.46 -0.09 0.00 -0.03 0.00 0.00 54.58 54.88 1n54 n ASN 99 Cb 0.36 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 1n54 n ASN 99 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1n54 h PHE 100 N 0.00 0.00 -0.56 3.10 3.57 -1.55 -3.23 116.94 118.28 1n54 h PHE 100 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1n54 h PHE 100 Cb 0.58 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1n54 h PHE 100 CO 0.00 0.59 0.39 0.78 -2.23 0.00 0.00 178.31 177.84 1n54 h GLY 101 N -1.00 0.10 2.00 2.40 0.00 -1.33 -0.42 103.07 104.83 1n54 h GLY 101 Ca -0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1n54 h GLY 101 CO -0.03 0.01 -0.40 -1.33 0.00 0.00 0.00 176.54 174.79 1n54 h GLY 102 N 0.06 0.00 0.51 4.60 0.00 -1.60 -1.46 103.07 105.18 1n54 h GLY 102 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1n54 h GLY 102 CO -0.02 0.00 -1.03 1.18 0.00 0.00 0.00 176.54 176.67 1n54 n GLU 103 N -3.62 0.24 -0.06 4.80 1.02 -0.39 -3.18 120.64 119.46 1n54 n GLU 103 Ca -0.01 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.97 1n54 n GLU 103 Cb 0.51 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1n54 n GLU 103 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1n54 h PHE 104 N 0.00 0.07 0.00 -0.32 3.57 -0.93 -2.87 116.94 116.46 1n54 h PHE 104 Ca 0.00 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1n54 h PHE 104 Cb 0.69 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1n54 h PHE 104 CO 0.00 1.08 -0.21 0.28 -2.23 0.00 0.00 178.31 177.22 1n54 h VAL 105 N -0.92 0.64 -0.01 1.41 2.07 -1.44 0.21 116.25 118.21 1n54 h VAL 105 Ca -0.04 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.41 1n54 h VAL 105 Cb 1.10 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1n54 h VAL 105 CO 0.00 0.21 -0.57 -0.33 0.02 0.00 0.00 177.57 176.90 1n54 h GLU 106 N 0.00 0.03 0.05 1.57 4.39 -1.61 -3.13 114.58 115.89 1n54 h GLU 106 Ca -0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1n54 h GLU 106 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1n54 h GLU 106 CO 0.03 0.60 -0.02 0.00 -1.16 0.00 0.00 179.01 178.45 1n54 h ALA 107 N 1.40 -0.07 -0.27 3.43 0.00 -1.03 -3.32 119.26 119.40 1n54 h ALA 107 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1n54 h ALA 107 Cb 1.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1n54 h ALA 107 CO 0.08 -0.08 -0.16 -1.33 0.00 0.00 0.00 179.25 177.76 1n54 n MET 108 N -4.77 -0.12 -0.24 0.00 2.81 0.62 -0.89 117.12 114.53 1n54 n MET 108 Ca -0.05 1.05 0.04 0.00 -1.81 0.00 0.00 57.70 56.94 1n54 n MET 108 Cb 0.21 -1.57 0.17 0.00 -0.71 0.00 0.00 33.22 31.32 1n54 n MET 108 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1n54 h ILE 109 N 0.00 0.61 -0.89 2.02 1.08 -1.74 0.15 117.51 118.74 1n54 h ILE 109 Ca 0.04 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 1n54 h ILE 109 Cb 0.11 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.03 1n54 h ILE 109 CO -0.25 0.07 0.58 -0.09 -0.69 0.00 0.00 178.15 177.77 1n54 h ARG 110 N 0.36 1.04 0.10 2.37 2.43 -1.23 1.05 114.38 120.50 1n54 h ARG 110 Ca 0.40 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1n54 h ARG 110 Cb 0.62 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1n54 h ARG 110 CO -0.43 0.69 -0.05 0.37 -1.51 0.00 0.00 179.97 179.04 1n54 h GLN 111 N 1.07 -0.13 -0.69 0.20 5.75 0.99 -2.09 115.11 120.20 1n54 h GLN 111 Ca 0.37 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.94 1n54 h GLN 111 Cb 0.10 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1n54 h GLN 111 CO -0.12 0.13 0.45 1.25 -2.65 0.00 0.00 178.83 177.89 1n54 h LEU 112 N -0.39 0.61 -1.65 -2.39 5.85 0.29 0.24 115.31 117.86 1n54 h LEU 112 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1n54 h LEU 112 Cb 0.33 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1n54 h LEU 112 CO 0.02 0.39 -0.02 0.11 -0.34 0.00 0.00 178.44 178.61 1n54 h LYS 113 N 0.69 0.00 0.02 1.25 1.57 0.16 -2.75 116.57 117.51 1n54 h LYS 113 Ca 0.30 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.76 1n54 h LYS 113 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1n54 h LYS 113 CO -0.10 0.02 -1.89 0.39 -0.57 0.00 0.00 179.45 177.31 1n54 n GLU 114 N -3.12 0.66 0.12 3.15 1.02 0.63 -3.98 120.64 119.12 1n54 n GLU 114 Ca 0.00 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1n54 n GLU 114 Cb 0.28 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1n54 n GLU 114 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1n54 h SER 115 N 0.01 -0.19 -0.99 1.62 0.02 -0.72 -2.80 113.55 110.50 1n54 h SER 115 Ca -0.36 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1n54 h SER 115 Cb 2.05 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 64.59 1n54 h SER 115 CO 0.07 -0.10 0.65 -0.07 -1.14 0.00 0.00 176.83 176.23 1n54 h LEU 116 N -0.27 1.08 -1.20 5.07 3.38 -1.69 0.59 115.31 122.27 1n54 h LEU 116 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1n54 h LEU 116 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1n54 h LEU 116 CO 0.04 0.75 -0.26 0.07 0.09 0.00 0.00 178.44 179.13 1n54 h LYS 117 N 1.26 0.23 -0.00 1.13 2.10 -1.65 -1.22 116.57 118.41 1n54 h LYS 117 Ca 0.39 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1n54 h LYS 117 Cb -0.02 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1n54 h LYS 117 CO -0.12 0.47 -0.15 0.00 -2.00 0.00 0.00 179.45 177.66 1n54 n ALA 118 N -2.48 2.81 -2.96 0.07 0.00 -0.94 -4.93 120.51 112.09 1n54 n ALA 118 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1n54 n ALA 118 Cb 0.36 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1n54 n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n54 n ASN 119 N -1.10 -3.77 -3.64 0.00 3.02 -0.46 -4.96 115.26 104.35 1n54 n ASN 119 Ca 0.12 -0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 1n54 n ASN 119 Cb 0.30 -2.54 0.02 0.00 -0.61 0.00 0.00 39.78 36.95 1n54 n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n54 n ASN 120 N -0.68 7.38 0.27 6.41 5.03 0.08 -4.78 115.26 128.97 1n54 n ASN 120 Ca -0.01 -3.64 0.10 0.00 0.87 0.00 0.00 54.58 51.90 1n54 n ASN 120 Cb 0.53 -1.19 0.71 0.00 -1.02 0.00 0.00 39.78 38.82 1n54 n ASN 120 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1n54 h TYR 121 N 4.28 0.00 -0.31 3.10 0.05 -1.88 -0.31 116.97 121.89 1n54 h TYR 121 Ca 0.54 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.22 1n54 h TYR 121 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1n54 h TYR 121 CO 1.35 0.04 -0.23 -0.91 -1.05 0.00 0.00 178.16 177.36 1n54 h ASN 122 N 0.00 0.60 0.03 3.88 2.35 -1.99 -2.68 115.58 117.79 1n54 h ASN 122 Ca -0.00 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1n54 h ASN 122 Cb 0.08 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.30 1n54 h ASN 122 CO 0.01 0.83 -0.68 -0.08 -1.65 0.00 0.00 177.43 175.85 1n54 h GLU 123 N 0.53 0.40 -0.88 0.81 4.81 -1.72 -3.33 114.58 115.20 1n54 h GLU 123 Ca 0.08 -0.48 0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1n54 h GLU 123 Cb 0.68 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 1n54 h GLU 123 CO 0.05 1.15 0.57 0.00 -0.73 0.00 0.00 179.01 180.05 1n54 h ALA 124 N 0.27 1.76 0.00 2.92 0.00 -1.00 0.33 119.26 123.53 1n54 h ALA 124 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1n54 h ALA 124 Cb 1.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n54 h ALA 124 CO 0.13 0.03 -0.07 0.28 0.00 0.00 0.00 179.25 179.62 1n54 h VAL 125 N 0.76 0.38 -0.29 0.00 2.07 -1.58 -2.21 116.25 115.39 1n54 h VAL 125 Ca 0.43 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 1n54 h VAL 125 Cb 0.59 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1n54 h VAL 125 CO -0.19 0.07 -0.50 1.88 0.02 0.00 0.00 177.57 178.85 1n54 h TYR 126 N 0.00 0.98 0.55 1.57 0.05 -0.48 -1.36 116.97 118.29 1n54 h TYR 126 Ca -0.00 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.42 1n54 h TYR 126 Cb 0.25 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.80 1n54 h TYR 126 CO 0.00 1.13 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.90 1n54 h LEU 127 N 0.62 -0.63 -0.96 3.88 3.38 -1.39 -1.48 115.31 118.73 1n54 h LEU 127 Ca 0.03 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.32 1n54 h LEU 127 Cb 1.08 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 1n54 h LEU 127 CO 0.11 -0.44 0.23 0.58 0.09 0.00 0.00 178.44 179.01 1n54 h VAL 128 N -0.76 0.10 -0.00 1.22 2.07 -1.51 1.39 116.25 118.75 1n54 h VAL 128 Ca -0.08 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1n54 h VAL 128 Cb 0.57 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1n54 h VAL 128 CO 0.12 0.01 -0.33 -0.09 0.02 0.00 0.00 177.57 177.30 1n54 h ARG 129 N 0.07 0.00 0.24 1.57 2.43 -0.95 -1.85 114.38 115.89 1n54 h ARG 129 Ca 0.66 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.81 1n54 h ARG 129 Cb 1.48 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1n54 h ARG 129 CO -0.80 0.34 -0.11 0.35 -1.51 0.00 0.00 179.97 178.23 1n54 h PHE 130 N 0.00 -0.30 -0.87 2.20 3.04 0.28 -2.78 116.94 118.53 1n54 h PHE 130 Ca -0.00 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.12 1n54 h PHE 130 Cb 0.59 0.10 -0.16 0.00 2.56 0.00 0.00 35.95 39.04 1n54 h PHE 130 CO 0.00 -0.18 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.85 1n54 h LEU 131 N -0.72 -0.76 -0.12 0.59 3.38 -0.72 0.10 115.31 117.06 1n54 h LEU 131 Ca -0.03 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1n54 h LEU 131 Cb 0.24 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1n54 h LEU 131 CO 0.05 -0.28 -0.34 0.28 0.09 0.00 0.00 178.44 178.24 1n54 h SER 132 N 0.01 -1.06 -0.93 -0.43 0.02 -1.39 -0.51 113.55 109.26 1n54 h SER 132 Ca 0.43 0.15 0.14 0.00 -0.84 0.00 0.00 61.79 61.66 1n54 h SER 132 Cb 0.67 0.44 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 1n54 h SER 132 CO -0.88 -0.38 0.59 -0.78 -1.14 0.00 0.00 176.83 174.25 1n54 h ASP 133 N -0.43 0.75 -0.77 3.07 3.58 -0.54 -0.69 116.42 121.39 1n54 h ASP 133 Ca 0.09 0.04 0.22 0.00 0.42 0.00 0.00 57.03 57.81 1n54 h ASP 133 Cb 0.57 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1n54 h ASP 133 CO -0.35 0.38 0.68 -0.07 -2.88 0.00 0.00 179.24 177.00 1n54 h LEU 134 N 0.79 0.00 -1.22 2.28 3.38 0.02 0.22 115.31 120.79 1n54 h LEU 134 Ca 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 1n54 h LEU 134 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1n54 h LEU 134 CO -0.23 0.00 -0.01 0.58 0.09 0.00 0.00 178.44 178.87 1n54 h VAL 135 N 0.00 1.20 -0.02 1.22 2.07 -1.10 -0.95 116.25 118.67 1n54 h VAL 135 Ca 0.36 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1n54 h VAL 135 Cb 1.72 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1n54 h VAL 135 CO -0.00 0.27 0.00 0.59 0.02 0.00 0.00 177.57 178.45 1n54 n ASN 136 N -4.28 1.03 -0.90 0.57 5.03 0.78 -3.37 115.26 114.13 1n54 n ASN 136 Ca 0.01 -1.38 0.07 0.00 0.87 0.00 0.00 54.58 54.16 1n54 n ASN 136 Cb 0.25 -0.01 0.23 0.00 -1.02 0.00 0.00 39.78 39.23 1n54 n ASN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n54 n HIS 138 N 0.25 -2.24 0.00 0.00 8.25 -1.11 -4.76 115.22 115.61 1n54 n HIS 138 Ca 0.18 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1n54 n HIS 138 Cb 0.68 -3.43 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1n54 n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1n54 n VAL 139 N -3.09 0.00 -4.79 1.59 0.31 -1.03 -4.48 118.33 106.84 1n54 n VAL 139 Ca -0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1n54 n VAL 139 Cb 0.60 -0.44 -0.13 0.00 -0.91 0.00 0.00 33.84 32.95 1n54 n VAL 139 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n54 s ILE 140 N -1.65 2.89 0.04 2.52 1.01 -1.24 0.15 121.20 124.91 1n54 s ILE 140 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1n54 s ILE 140 Cb 0.00 -2.17 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 1n54 s ILE 140 CO 0.00 0.46 1.61 0.00 0.00 0.00 0.00 174.94 177.01 1n54 s ALA 141 N -0.83 3.65 0.25 9.38 0.00 0.15 -4.43 121.76 129.93 1n54 s ALA 141 Ca 0.13 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 1n54 s ALA 141 Cb -0.11 -3.69 0.38 0.00 0.00 0.00 0.00 23.12 19.71 1n54 s ALA 141 CO 0.03 -1.11 1.43 0.00 0.00 0.00 0.00 175.76 176.11 1n54 n ALA 142 N 5.79 0.15 -0.07 0.00 0.00 -1.26 0.13 120.51 125.25 1n54 n ALA 142 Ca 0.16 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.46 1n54 n ALA 142 Cb 0.41 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 1n54 n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n54 h PRO 143 N 0.00 0.46 -0.99 0.00 0.11 -1.96 -3.23 132.00 126.38 1n54 h PRO 143 Ca 0.42 -0.22 0.42 0.00 0.11 0.00 0.00 66.00 66.72 1n54 h PRO 143 Cb 0.65 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.57 1n54 h PRO 143 CO -0.94 0.77 0.54 0.45 -0.21 0.00 0.00 178.00 178.61 1n54 n SER 144 N -4.50 0.35 0.00 -2.05 2.88 0.12 0.23 113.62 110.65 1n54 n SER 144 Ca -0.05 1.65 -0.18 0.00 -1.33 0.00 0.00 58.87 58.96 1n54 n SER 144 Cb 0.36 -0.80 -0.07 0.00 -0.75 0.00 0.00 64.21 62.94 1n54 n SER 144 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1n54 h MET 145 N 0.00 0.74 0.00 -1.46 -1.53 -1.52 -3.02 114.93 108.13 1n54 h MET 145 Ca 0.84 -0.66 -0.06 0.00 -3.44 0.00 0.00 59.70 56.39 1n54 h MET 145 Cb 2.23 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 33.43 1n54 h MET 145 CO -0.76 1.26 -0.29 0.28 0.14 0.00 0.00 176.91 177.54 1n54 h VAL 146 N 0.48 1.10 -0.13 -5.77 2.07 -0.29 -0.82 116.25 112.89 1n54 h VAL 146 Ca -0.07 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1n54 h VAL 146 Cb 1.49 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 1n54 h VAL 146 CO 0.17 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.89 1n54 h ALA 147 N 1.71 -0.08 -0.07 1.67 0.00 -1.02 0.70 119.26 122.18 1n54 h ALA 147 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1n54 h ALA 147 Cb 0.54 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1n54 h ALA 147 CO 0.04 -0.61 -0.09 1.98 0.00 0.00 0.00 179.25 180.57 1n54 h MET 148 N -0.19 0.18 -1.30 0.00 -1.53 -1.53 -3.03 114.93 107.53 1n54 h MET 148 Ca 0.09 -0.10 0.38 0.00 -3.44 0.00 0.00 59.70 56.63 1n54 h MET 148 Cb 0.33 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 1n54 h MET 148 CO -0.25 0.65 0.93 0.74 0.14 0.00 0.00 176.91 179.13 1n54 h PHE 149 N -0.28 0.03 -0.30 1.39 0.04 -0.68 1.40 116.94 118.54 1n54 h PHE 149 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1n54 h PHE 149 Cb 0.63 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1n54 h PHE 149 CO 0.10 -0.00 -0.15 0.93 -0.60 0.00 0.00 178.31 178.59 1n54 h GLU 150 N 0.01 0.63 0.00 1.51 5.08 -0.75 -2.44 114.58 118.62 1n54 h GLU 150 Ca 0.62 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1n54 h GLU 150 Cb 2.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.69 1n54 h GLU 150 CO -0.02 0.86 -0.21 -0.91 -1.00 0.00 0.00 179.01 177.72 1n54 h ASN 151 N 0.38 0.00 -0.40 1.42 2.35 0.19 0.34 115.58 119.86 1n54 h ASN 151 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1n54 h ASN 151 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1n54 h ASN 151 CO 0.04 0.21 -0.26 -0.26 -1.65 0.00 0.00 177.43 175.52 1n54 h PHE 152 N 0.00 1.02 0.10 1.19 -1.00 -1.01 -2.97 116.94 114.28 1n54 h PHE 152 Ca -0.00 -0.27 -0.27 0.00 2.81 0.00 0.00 57.97 60.23 1n54 h PHE 152 Cb 0.40 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.74 1n54 h PHE 152 CO 0.00 1.07 -1.17 0.28 -1.61 0.00 0.00 178.31 176.87 1n54 h VAL 153 N 0.69 1.41 0.00 -0.55 2.07 -0.95 -3.28 116.25 115.64 1n54 h VAL 153 Ca 0.08 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1n54 h VAL 153 Cb 0.83 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1n54 h VAL 153 CO 0.07 0.81 0.08 -0.24 0.02 0.00 0.00 177.57 178.31 1n54 n SER 154 N -3.66 0.16 0.19 0.57 2.88 0.11 -1.30 113.62 112.57 1n54 n SER 154 Ca -0.10 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.09 1n54 n SER 154 Cb 0.97 -0.53 0.32 0.00 -0.75 0.00 0.00 64.21 64.22 1n54 n SER 154 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1n54 h VAL 155 N 0.00 0.00 0.00 2.46 2.07 -1.60 -2.77 116.25 116.42 1n54 h VAL 155 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1n54 h VAL 155 Cb 0.15 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1n54 h VAL 155 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1n54 n THR 156 N -2.83 0.15 0.48 2.57 -2.24 -0.42 -1.63 114.28 110.35 1n54 n THR 156 Ca 0.04 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1n54 n THR 156 Cb 0.45 -0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.83 1n54 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n54 n GLN 157 N -1.10 0.34 -1.94 -0.78 3.00 -1.04 -4.97 117.38 110.88 1n54 n GLN 157 Ca 0.13 -0.10 -0.38 0.00 -0.01 0.00 0.00 57.00 56.65 1n54 n GLN 157 Cb 0.10 -1.51 0.03 0.00 0.00 0.00 0.00 30.24 28.86 1n54 n GLN 157 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1n54 s GLU 158 N -3.27 3.29 0.07 -1.09 2.12 -0.65 -5.01 118.70 114.17 1n54 s GLU 158 Ca -0.00 2.06 -0.06 0.00 0.36 0.00 0.00 54.97 57.33 1n54 s GLU 158 Cb 0.15 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 1n54 s GLU 158 CO 0.89 -1.01 0.33 -1.21 -0.54 0.00 0.00 175.26 173.71 1n54 s GLU 159 N -2.89 3.62 -0.86 4.30 0.41 -1.26 -4.62 118.70 117.41 1n54 s GLU 159 Ca 0.70 -0.05 -0.04 0.00 -0.41 0.00 0.00 54.97 55.17 1n54 s GLU 159 Cb -0.36 -2.99 -0.00 0.00 -1.78 0.00 0.00 34.13 29.00 1n54 s GLU 159 CO 0.43 0.57 0.67 -0.25 -0.49 0.00 0.00 175.26 176.19 1n54 n ASP 160 N 0.70 -5.99 -3.73 -0.19 10.43 -1.26 -5.03 116.55 111.48 1n54 n ASP 160 Ca -0.07 -0.66 -0.12 0.00 2.57 0.00 0.00 54.79 56.51 1n54 n ASP 160 Cb 0.52 -3.28 -0.11 0.00 1.84 0.00 0.00 41.12 40.08 1n54 n ASP 160 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1n54 s VAL 161 N -3.09 -0.02 0.10 2.53 -7.23 -1.26 -5.09 120.40 106.34 1n54 s VAL 161 Ca 0.09 0.07 -0.36 0.00 -1.81 0.00 0.00 61.98 59.98 1n54 s VAL 161 Cb -0.03 -0.50 -0.16 0.00 0.56 0.00 0.00 36.38 36.25 1n54 s VAL 161 CO 0.84 0.03 1.44 -2.65 -0.31 0.00 0.00 175.10 174.44 1n54 n PRO 162 N 3.75 1.48 -0.26 4.82 -0.02 -1.26 -4.83 135.00 138.68 1n54 n PRO 162 Ca -0.20 0.54 0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1n54 n PRO 162 Cb 0.56 -2.22 0.66 0.00 -0.02 0.00 0.00 33.50 32.47 1n54 n PRO 162 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1n54 h GLN 163 N 5.14 0.14 -0.75 -0.52 4.15 -1.92 0.40 115.11 121.75 1n54 h GLN 163 Ca -0.47 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.03 1n54 h GLN 163 Cb 1.31 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 1n54 h GLN 163 CO 0.82 0.09 0.41 -0.39 -1.93 0.00 0.00 178.83 177.83 1n54 h VAL 164 N 0.14 0.91 -0.19 2.39 -1.51 -1.86 0.55 116.25 116.67 1n54 h VAL 164 Ca 0.50 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1n54 h VAL 164 Cb 1.74 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1n54 h VAL 164 CO -0.09 0.13 0.12 -0.09 -1.23 0.00 0.00 177.57 176.40 1n54 h ARG 165 N 0.71 0.25 0.94 5.19 2.43 -1.26 -1.87 114.38 120.77 1n54 h ARG 165 Ca 0.36 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1n54 h ARG 165 Cb 0.31 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1n54 h ARG 165 CO -0.23 0.20 -0.47 0.00 -1.51 0.00 0.00 179.97 177.96 1n54 h ARG 166 N 0.23 -1.23 -1.00 0.20 3.08 -1.35 -2.61 114.38 111.69 1n54 h ARG 166 Ca 0.07 0.08 0.35 0.00 0.07 0.00 0.00 59.98 60.55 1n54 h ARG 166 Cb 0.01 0.28 -0.16 0.00 0.08 0.00 0.00 29.97 30.19 1n54 h ARG 166 CO -0.01 -0.82 0.56 -0.44 -1.07 0.00 0.00 179.97 178.19 1n54 h ASP 167 N -1.28 0.47 0.49 7.04 3.32 0.20 -2.53 116.42 124.13 1n54 h ASP 167 Ca -0.13 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1n54 h ASP 167 Cb 0.99 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1n54 h ASP 167 CO 0.20 -0.21 -0.24 -0.25 -1.72 0.00 0.00 179.24 177.03 1n54 h TRP 168 N 0.25 -0.61 -1.19 4.55 7.01 -0.97 0.04 115.95 125.03 1n54 h TRP 168 Ca 0.76 -0.01 0.37 0.00 2.11 0.00 0.00 58.89 62.11 1n54 h TRP 168 Cb 1.82 0.20 -0.12 0.00 -2.10 0.00 0.00 29.16 28.96 1n54 h TRP 168 CO -0.01 -0.38 0.76 1.88 -2.79 0.00 0.00 178.44 177.91 1n54 h TYR 169 N -0.83 0.59 -0.15 2.65 0.05 -1.25 3.95 116.97 121.98 1n54 h TYR 169 Ca -0.07 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.59 1n54 h TYR 169 Cb 0.50 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1n54 h TYR 169 CO 0.06 -0.11 -0.54 0.28 -1.05 0.00 0.00 178.16 176.80 1n54 h VAL 170 N 0.21 1.34 0.59 -2.88 2.07 -1.36 -2.66 116.25 113.56 1n54 h VAL 170 Ca 0.73 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1n54 h VAL 170 Cb 2.13 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1n54 h VAL 170 CO -0.38 0.55 -0.28 0.22 0.02 0.00 0.00 177.57 177.69 1n54 h TYR 171 N 0.33 -0.74 -1.29 1.57 3.20 0.93 -2.51 116.97 118.47 1n54 h TYR 171 Ca 0.01 -0.02 0.42 0.00 3.14 0.00 0.00 58.73 62.27 1n54 h TYR 171 Cb 1.06 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 39.45 1n54 h TYR 171 CO 0.03 -0.40 0.83 0.00 -1.64 0.00 0.00 178.16 176.98 1n54 h ALA 172 N -0.87 2.69 -3.00 1.82 0.00 0.02 -1.66 119.26 118.26 1n54 h ALA 172 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n54 h ALA 172 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1n54 h ALA 172 CO 0.13 -1.29 0.00 0.34 0.00 0.00 0.00 179.25 178.43 1n54 n PHE 173 N -4.68 0.00 0.00 0.00 7.35 -1.01 -3.65 117.46 115.47 1n54 n PHE 173 Ca 0.36 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1n54 n PHE 173 Cb 1.37 0.00 0.00 0.00 0.35 0.00 0.00 39.48 41.20 1n54 n PHE 173 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1n54 n LEU 174 N 0.00 0.00 0.04 -2.13 4.77 -0.96 0.19 117.00 118.92 1n54 n LEU 174 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1n54 n LEU 174 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 1n54 n LEU 174 CO 0.00 0.00 0.63 0.77 -1.33 0.00 0.00 177.39 177.46 1n54 h SER 175 N 0.00 0.42 -0.33 -1.43 4.64 -1.47 -3.09 113.55 112.28 1n54 h SER 175 Ca 0.00 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1n54 h SER 175 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1n54 h SER 175 CO 0.00 0.78 -0.07 0.28 -0.87 0.00 0.00 176.83 176.95 1n54 h SER 176 N 0.33 0.63 -1.57 4.97 0.02 0.21 -3.29 113.55 114.85 1n54 h SER 176 Ca 0.03 -0.36 0.46 0.00 -0.84 0.00 0.00 61.79 61.08 1n54 h SER 176 Cb 0.85 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1n54 h SER 176 CO 0.07 0.84 1.31 -0.07 -1.14 0.00 0.00 176.83 177.84 1n54 h LEU 177 N 0.41 0.00 -1.06 5.07 3.38 -1.56 0.45 115.31 121.99 1n54 h LEU 177 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n54 h LEU 177 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1n54 h LEU 177 CO 0.03 0.00 0.00 -0.65 0.09 0.00 0.00 178.44 177.91 1n54 h PRO 178 N 0.00 0.00 0.00 1.13 0.11 -1.73 -2.01 132.00 129.50 1n54 h PRO 178 Ca 0.75 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.86 1n54 h PRO 178 Cb 3.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.47 1n54 h PRO 178 CO -0.01 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.69 1n54 n TRP 179 N -2.44 0.00 0.23 0.65 8.01 0.16 -4.75 117.44 119.29 1n54 n TRP 179 Ca 0.01 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.38 1n54 n TRP 179 Cb 0.21 0.00 0.87 0.00 -2.01 0.00 0.00 31.31 30.38 1n54 n TRP 179 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1n54 h VAL 180 N 0.00 0.35 -0.09 -0.99 3.04 -1.67 -3.30 116.25 113.59 1n54 h VAL 180 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1n54 h VAL 180 Cb 0.00 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 1n54 h VAL 180 CO 0.00 0.00 -0.00 1.23 -1.01 0.00 0.00 177.57 177.79 1n54 h GLY 181 N 0.00 0.13 0.31 3.17 0.00 -1.59 -1.24 103.07 103.85 1n54 h GLY 181 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1n54 h GLY 181 CO -0.00 0.05 -0.15 1.70 0.00 0.00 0.00 176.54 178.14 1n54 h LYS 182 N 0.12 -0.13 -0.00 4.80 3.64 -1.68 -1.75 116.57 121.57 1n54 h LYS 182 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1n54 h LYS 182 Cb 0.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1n54 h LYS 182 CO 0.00 -0.09 -0.59 -1.91 -2.27 0.00 0.00 179.45 174.59 1n54 n GLU 183 N -5.32 0.21 0.00 1.90 2.13 -1.23 -3.96 120.64 114.38 1n54 n GLU 183 Ca -0.01 -0.15 0.15 0.00 0.66 0.00 0.00 57.16 57.81 1n54 n GLU 183 Cb 0.23 -1.50 0.74 0.00 0.27 0.00 0.00 31.44 31.19 1n54 n GLU 183 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1n54 n LEU 184 N -1.27 0.13 -0.78 4.31 7.94 -0.47 -3.34 117.00 123.52 1n54 n LEU 184 Ca 0.06 0.17 0.08 0.00 -1.11 0.00 0.00 56.01 55.22 1n54 n LEU 184 Cb 0.35 -0.22 0.14 0.00 0.53 0.00 0.00 43.42 44.21 1n54 n LEU 184 CO 0.35 0.02 0.59 0.00 -1.11 0.00 0.00 177.39 177.25 1n54 n TYR 185 N -1.15 0.30 1.42 1.96 9.36 -0.93 -3.73 117.16 124.39 1n54 n TYR 185 Ca 0.16 -0.22 0.14 0.00 3.32 0.00 0.00 57.90 61.29 1n54 n TYR 185 Cb 0.23 -0.01 0.74 0.00 -0.63 0.00 0.00 39.34 39.67 1n54 n TYR 185 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1n54 n GLU 186 N 0.95 0.50 -3.77 2.98 0.28 -1.21 -4.50 120.64 115.88 1n54 n GLU 186 Ca 0.13 0.02 -0.10 0.00 -0.16 0.00 0.00 57.16 57.05 1n54 n GLU 186 Cb 0.45 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 1n54 n GLU 186 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1n54 s LYS 187 N -2.45 1.12 -1.15 3.44 2.47 -1.24 -4.87 119.74 117.05 1n54 s LYS 187 Ca 0.30 -0.89 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 1n54 s LYS 187 Cb 0.19 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 37.00 1n54 s LYS 187 CO 0.41 -0.43 0.00 1.63 0.16 0.00 0.00 175.35 177.12 1n54 n LYS 188 N -0.22 -1.48 0.00 4.03 4.76 -1.26 -4.71 118.16 119.27 1n54 n LYS 188 Ca -0.13 0.72 0.02 0.00 -2.87 0.00 0.00 58.31 56.06 1n54 n LYS 188 Cb 0.63 -4.89 0.12 0.00 -1.84 0.00 0.00 35.03 29.05 1n54 n LYS 188 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1n54 n ASP 189 N -0.41 0.00 0.03 4.39 5.75 -1.26 0.39 116.55 125.43 1n54 n ASP 189 Ca -0.11 0.21 -0.12 0.00 -0.01 0.00 0.00 54.79 54.76 1n54 n ASP 189 Cb 0.44 -0.28 -0.14 0.00 -1.03 0.00 0.00 41.12 40.11 1n54 n ASP 189 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n54 h ALA 190 N 2.23 0.48 0.00 2.12 0.00 -1.94 -3.30 119.26 118.85 1n54 h ALA 190 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 54.91 53.36 1n54 h ALA 190 Cb 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1n54 h ALA 190 CO 0.00 1.34 -2.29 0.39 0.00 0.00 0.00 179.25 178.69 1n54 n GLU 191 N -3.28 0.68 -0.15 0.00 4.71 0.77 -3.96 120.64 119.40 1n54 n GLU 191 Ca -0.14 0.01 0.01 0.00 -0.01 0.00 0.00 57.16 57.03 1n54 n GLU 191 Cb 1.02 -1.55 0.06 0.00 -1.01 0.00 0.00 31.44 29.97 1n54 n GLU 191 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1n54 n MET 192 N -2.74 1.59 0.00 3.49 2.81 1.27 0.16 117.12 123.70 1n54 n MET 192 Ca -0.29 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1n54 n MET 192 Cb 1.10 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 1n54 n MET 192 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1n54 n ASP 193 N 0.11 3.74 -0.08 7.83 10.43 -1.24 -4.18 116.55 133.16 1n54 n ASP 193 Ca 0.05 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.21 1n54 n ASP 193 Cb 0.43 0.64 -0.12 0.00 1.84 0.00 0.00 41.12 43.91 1n54 n ASP 193 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1n54 h ARG 194 N 0.00 0.03 0.00 -1.24 2.43 -0.96 -2.90 114.38 111.75 1n54 h ARG 194 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1n54 h ARG 194 Cb 0.22 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1n54 h ARG 194 CO 0.00 1.03 -0.22 0.82 -1.51 0.00 0.00 179.97 180.08 1n54 h ILE 195 N -0.89 1.06 0.38 1.20 1.08 0.12 0.22 117.51 120.67 1n54 h ILE 195 Ca -0.27 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 1n54 h ILE 195 Cb 1.31 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1n54 h ILE 195 CO -0.13 0.22 -0.18 -0.26 -0.69 0.00 0.00 178.15 177.11 1n54 h PHE 196 N 0.00 -0.47 0.00 1.37 -1.00 -1.73 -1.48 116.94 113.63 1n54 h PHE 196 Ca -0.00 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1n54 h PHE 196 Cb 0.42 0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1n54 h PHE 196 CO 0.00 -0.14 -0.12 0.00 -1.61 0.00 0.00 178.31 176.43 1n54 h ALA 197 N -0.47 1.77 0.00 2.45 0.00 -1.25 0.58 119.26 122.34 1n54 h ALA 197 Ca -0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1n54 h ALA 197 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1n54 h ALA 197 CO 0.09 0.16 -0.57 -0.91 0.00 0.00 0.00 179.25 178.01 1n54 h ASN 198 N 0.00 0.00 0.84 0.00 4.21 -0.52 -1.67 115.58 118.44 1n54 h ASN 198 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1n54 h ASN 198 Cb 0.22 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1n54 h ASN 198 CO 0.02 0.57 -1.17 0.41 -1.29 0.00 0.00 177.43 175.96 1n54 n THR 199 N -3.55 0.60 -0.03 2.81 -1.04 -0.56 -3.22 114.28 109.28 1n54 n THR 199 Ca -0.00 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.05 61.31 1n54 n THR 199 Cb 0.64 -0.33 -0.09 0.00 -1.82 0.00 0.00 70.33 68.73 1n54 n THR 199 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1n54 h GLU 200 N 0.00 0.27 0.78 -2.82 4.57 0.30 -2.00 114.58 115.67 1n54 h GLU 200 Ca -0.02 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1n54 h GLU 200 Cb 1.06 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1n54 h GLU 200 CO 0.00 0.84 -0.38 1.03 -1.18 0.00 0.00 179.01 179.33 1n54 h SER 201 N -0.25 -0.89 -0.83 1.04 0.87 -1.43 -2.36 113.55 109.70 1n54 h SER 201 Ca -0.01 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1n54 h SER 201 Cb 0.88 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 63.01 1n54 h SER 201 CO 0.05 -0.61 0.54 0.22 -0.53 0.00 0.00 176.83 176.51 1n54 h TYR 202 N -1.10 0.77 -0.77 2.24 3.20 -1.67 -1.48 116.97 118.16 1n54 h TYR 202 Ca -0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1n54 h TYR 202 Cb 0.82 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1n54 h TYR 202 CO -0.01 0.32 0.48 1.25 -1.64 0.00 0.00 178.16 178.55 1n54 h LEU 203 N 0.68 0.91 0.00 2.82 6.46 -1.04 -2.25 115.31 122.90 1n54 h LEU 203 Ca 0.40 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1n54 h LEU 203 Cb 0.61 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1n54 h LEU 203 CO -0.17 0.69 -0.42 0.11 -0.62 0.00 0.00 178.44 178.03 1n54 h LYS 204 N 1.05 0.00 -0.68 1.25 1.79 -0.84 -3.31 116.57 115.83 1n54 h LYS 204 Ca 0.28 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1n54 h LYS 204 Cb -0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1n54 h LYS 204 CO -0.05 0.00 0.04 0.54 -1.08 0.00 0.00 179.45 178.89 1n54 n ARG 205 N -2.79 4.06 -3.79 3.15 1.74 -0.63 -4.93 116.66 113.46 1n54 n ARG 205 Ca 0.03 -2.57 -0.35 0.00 -0.77 0.00 0.00 57.85 54.18 1n54 n ARG 205 Cb 0.52 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.46 29.75 1n54 n ARG 205 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n54 s ARG 206 N -2.46 4.10 0.42 5.56 0.52 -1.07 -5.00 118.95 121.02 1n54 s ARG 206 Ca 0.45 -0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 55.14 1n54 s ARG 206 Cb 0.34 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 32.35 1n54 s ARG 206 CO 0.13 0.24 1.22 1.14 0.02 0.00 0.00 175.30 178.05 1n54 s GLN 207 N 0.52 3.91 -0.14 3.54 -2.07 -1.26 -4.94 119.66 119.22 1n54 s GLN 207 Ca 0.06 1.95 0.18 0.00 -1.82 0.00 0.00 55.36 55.73 1n54 s GLN 207 Cb -0.12 -2.62 0.36 0.00 -1.09 0.00 0.00 33.01 29.54 1n54 s GLN 207 CO -0.00 -0.47 1.24 1.63 -1.32 0.00 0.00 175.29 176.36 1n54 n LYS 208 N -0.09 1.82 -0.30 9.60 4.76 -1.26 -4.83 118.16 127.86 1n54 n LYS 208 Ca 0.05 -2.65 0.19 0.00 -2.87 0.00 0.00 58.31 53.03 1n54 n LYS 208 Cb 0.46 -1.60 0.36 0.00 -1.84 0.00 0.00 35.03 32.40 1n54 n LYS 208 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n54 n THR 209 N -1.13 -0.38 0.09 -0.18 -1.04 -1.26 -2.13 114.28 108.25 1n54 n THR 209 Ca 0.18 1.93 -0.12 0.00 -2.04 0.00 0.00 64.05 63.99 1n54 n THR 209 Cb 0.72 -2.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.24 1n54 n THR 209 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1n54 h HIS 210 N 0.00 -0.24 -0.15 -1.42 2.07 -1.88 -3.36 115.15 110.17 1n54 h HIS 210 Ca 0.62 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 58.17 1n54 h HIS 210 Cb 1.44 0.09 -0.03 0.00 2.57 0.00 0.00 27.41 31.48 1n54 h HIS 210 CO -0.30 -0.14 -0.04 0.28 -3.07 0.00 0.00 177.93 174.65 1n54 n VAL 211 N -5.21 -0.07 -0.21 6.12 0.31 -0.90 0.12 118.33 118.49 1n54 n VAL 211 Ca -0.07 0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 64.54 1n54 n VAL 211 Cb 0.13 -0.48 0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1n54 n VAL 211 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1n54 h PRO 212 N 0.00 0.86 0.00 5.55 0.11 -1.81 0.07 132.00 136.78 1n54 h PRO 212 Ca 0.07 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1n54 h PRO 212 Cb 0.11 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1n54 h PRO 212 CO -0.16 0.71 0.00 -0.12 -0.21 0.00 0.00 178.00 178.23 1n54 n MET 213 N -4.51 0.21 0.00 1.05 0.00 0.12 -3.29 117.12 110.69 1n54 n MET 213 Ca 0.03 0.41 0.06 0.00 -0.00 0.00 0.00 57.70 58.21 1n54 n MET 213 Cb 0.14 -1.88 -0.00 0.00 0.00 0.00 0.00 33.22 31.48 1n54 n MET 213 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1n54 n LEU 214 N -2.26 1.37 -4.80 -0.89 4.77 -0.78 -4.93 117.00 109.49 1n54 n LEU 214 Ca 0.02 -0.77 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 1n54 n LEU 214 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1n54 n LEU 214 CO 0.21 0.27 0.70 -1.10 -1.33 0.00 0.00 177.39 176.14 1n54 s GLN 215 N -1.56 4.03 -0.04 3.23 -0.21 -0.06 -4.61 119.66 120.44 1n54 s GLN 215 Ca 0.10 1.34 -0.16 0.00 0.02 0.00 0.00 55.36 56.66 1n54 s GLN 215 Cb 0.10 -2.26 -0.32 0.00 1.00 0.00 0.00 33.01 31.53 1n54 s GLN 215 CO 0.31 -0.23 0.78 0.28 -2.12 0.00 0.00 175.29 174.32 1n54 h VAL 216 N 1.85 1.16 -2.81 1.09 2.07 -1.91 -3.44 116.25 114.26 1n54 h VAL 216 Ca -0.49 -2.55 -0.46 0.00 0.82 0.00 0.00 66.70 64.02 1n54 h VAL 216 Cb 1.21 2.92 -0.14 0.00 -1.52 0.00 0.00 31.29 33.75 1n54 h VAL 216 CO 0.61 0.79 -0.69 0.26 0.02 0.00 0.00 177.57 178.56 1n54 s TRP 217 N -2.54 1.83 -0.91 1.57 0.51 -1.26 -1.08 118.94 117.06 1n54 s TRP 217 Ca -0.14 -0.71 0.09 0.00 -2.12 0.00 0.00 56.10 53.22 1n54 s TRP 217 Cb 0.04 -1.00 0.01 0.00 -0.81 0.00 0.00 33.47 31.70 1n54 s TRP 217 CO 0.86 0.24 0.64 0.25 -0.51 0.00 0.00 176.95 178.43 1n54 n THR 218 N -0.51 0.00 -2.66 2.01 -2.24 -0.99 -4.85 114.28 105.04 1n54 n THR 218 Ca -0.06 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1n54 n THR 218 Cb 0.63 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 1n54 n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n54 s ALA 219 N -1.22 3.40 -2.04 6.98 0.00 -1.26 -4.91 121.76 122.71 1n54 s ALA 219 Ca 0.08 0.42 0.19 0.00 0.00 0.00 0.00 51.96 52.66 1n54 s ALA 219 Cb 0.08 -3.44 1.08 0.00 0.00 0.00 0.00 23.12 20.84 1n54 s ALA 219 CO 0.22 -0.59 1.71 -0.25 0.00 0.00 0.00 175.76 176.84 1n54 n ASP 220 N 4.94 0.21 -3.93 0.00 8.00 -1.26 -4.54 116.55 119.96 1n54 n ASP 220 Ca 0.09 -1.44 -0.10 0.00 0.71 0.00 0.00 54.79 54.04 1n54 n ASP 220 Cb 0.49 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.45 1n54 n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1n54 s LYS 221 N -1.98 0.22 0.00 -1.24 1.02 -1.26 -3.79 119.74 112.72 1n54 s LYS 221 Ca 0.29 -0.38 0.28 0.00 0.02 0.00 0.00 55.97 56.18 1n54 s LYS 221 Cb 0.14 0.08 1.15 0.00 -0.52 0.00 0.00 37.83 38.67 1n54 s LYS 221 CO 0.22 -0.04 1.85 -0.35 -0.92 0.00 0.00 175.35 176.12 1n54 n PRO 222 N 2.09 0.10 -3.78 -1.68 -0.04 -1.26 -4.92 135.00 125.51 1n54 n PRO 222 Ca -0.20 -0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 62.96 1n54 n PRO 222 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1n54 n PRO 222 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n54 s HIS 223 N -2.91 1.32 0.16 0.54 3.76 -1.26 -5.11 115.29 111.79 1n54 s HIS 223 Ca 0.16 -1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 53.72 1n54 s HIS 223 Cb 0.19 -1.14 -0.09 0.00 1.11 0.00 0.00 32.58 32.65 1n54 s HIS 223 CO 0.55 -0.64 1.40 -2.14 -0.85 0.00 0.00 174.74 173.05 1n54 s PRO 224 N 1.76 4.32 -0.65 8.40 0.02 -1.25 -4.79 135.00 142.81 1n54 s PRO 224 Ca -0.02 2.14 -0.23 0.00 0.02 0.00 0.00 61.00 62.91 1n54 s PRO 224 Cb -0.17 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.21 1n54 s PRO 224 CO -0.08 -0.41 1.00 -0.65 -0.33 0.00 0.00 177.00 176.54 1n54 s GLN 225 N 0.55 3.16 0.10 5.54 -1.52 -1.26 -4.78 119.66 121.44 1n54 s GLN 225 Ca 0.62 -0.64 -0.08 0.00 -1.95 0.00 0.00 55.36 53.31 1n54 s GLN 225 Cb -0.38 -4.19 -0.06 0.00 -0.22 0.00 0.00 33.01 28.16 1n54 s GLN 225 CO 0.34 -1.80 0.39 -1.21 -0.25 0.00 0.00 175.29 172.77 1n54 s GLU 226 N 4.28 3.71 0.58 2.91 2.02 -1.26 -4.87 118.70 126.08 1n54 s GLU 226 Ca 0.26 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 55.14 1n54 s GLU 226 Cb -0.15 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1n54 s GLU 226 CO 0.13 0.53 1.23 -1.91 0.02 0.00 0.00 175.26 175.26 1n54 n GLU 227 N 0.67 1.32 0.16 1.61 0.00 -1.26 -0.60 120.64 122.53 1n54 n GLU 227 Ca -0.06 0.50 -0.14 0.00 0.00 0.00 0.00 57.16 57.45 1n54 n GLU 227 Cb 0.52 -2.44 -0.07 0.00 0.00 0.00 0.00 31.44 29.46 1n54 n GLU 227 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.13 177.23 1n54 h TYR 228 N 0.95 -0.45 0.00 4.31 -0.00 -1.54 0.41 116.97 120.66 1n54 h TYR 228 Ca -0.50 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.17 1n54 h TYR 228 Cb 1.33 0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 38.22 1n54 h TYR 228 CO 0.42 -0.26 -0.28 -0.07 -0.00 0.00 0.00 178.16 177.96 1n54 h LEU 229 N -0.41 0.00 0.00 0.10 3.38 -1.92 0.16 115.31 116.62 1n54 h LEU 229 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n54 h LEU 229 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1n54 h LEU 229 CO -0.00 0.28 -0.15 0.47 0.09 0.00 0.00 178.44 179.13 1n54 n ASP 230 N -3.59 0.55 -0.12 -0.43 9.92 -1.04 -2.70 116.55 119.14 1n54 n ASP 230 Ca -0.01 0.41 -0.17 0.00 -0.53 0.00 0.00 54.79 54.49 1n54 n ASP 230 Cb 0.42 -0.47 -0.13 0.00 -0.64 0.00 0.00 41.12 40.30 1n54 n ASP 230 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n54 h LEU 232 N 0.00 0.91 -1.69 0.00 5.85 -0.77 -1.70 115.31 117.91 1n54 h LEU 232 Ca -0.57 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 57.99 1n54 h LEU 232 Cb 1.95 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1n54 h LEU 232 CO -0.07 0.81 -0.10 -0.25 -0.34 0.00 0.00 178.44 178.50 1n54 h TRP 233 N 0.97 0.08 0.00 1.25 2.91 -1.70 0.53 115.95 119.98 1n54 h TRP 233 Ca 0.23 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1n54 h TRP 233 Cb 0.20 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 1n54 h TRP 233 CO 0.02 0.17 0.00 0.00 -1.03 0.00 0.00 178.44 177.60 1n54 h ALA 234 N 1.83 1.00 0.00 2.65 0.00 -1.47 -2.34 119.26 120.94 1n54 h ALA 234 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1n54 h ALA 234 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1n54 h ALA 234 CO 0.01 0.00 -1.43 1.04 0.00 0.00 0.00 179.25 178.87 1n54 n GLN 235 N -2.64 0.63 -0.01 0.00 6.02 0.17 -3.37 117.38 118.17 1n54 n GLN 235 Ca 0.03 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.93 1n54 n GLN 235 Cb 0.38 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 1n54 n GLN 235 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1n54 h ILE 236 N 0.00 1.64 -0.81 5.09 1.08 -1.10 -3.17 117.51 120.25 1n54 h ILE 236 Ca -0.08 -2.40 0.11 0.00 -0.39 0.00 0.00 64.86 62.10 1n54 h ILE 236 Cb 1.25 3.25 -0.08 0.00 -3.07 0.00 0.00 36.82 38.17 1n54 h ILE 236 CO 0.02 0.65 0.45 1.56 -0.69 0.00 0.00 178.15 180.13 1n54 h GLN 237 N -0.66 0.71 0.00 2.37 1.08 -1.56 0.29 115.11 117.33 1n54 h GLN 237 Ca -0.07 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1n54 h GLN 237 Cb 1.29 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1n54 h GLN 237 CO 0.07 0.47 -0.10 -0.22 -0.95 0.00 0.00 178.83 178.11 1n54 h LYS 238 N 0.73 0.00 -0.00 1.46 3.11 -1.65 -1.63 116.57 118.58 1n54 h LYS 238 Ca 0.40 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.19 1n54 h LYS 238 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1n54 h LYS 238 CO -0.28 0.10 -0.21 1.25 -2.81 0.00 0.00 179.45 177.50 1n54 h LEU 239 N 0.00 0.19 0.13 5.20 5.85 -0.58 -2.95 115.31 123.16 1n54 h LEU 239 Ca -0.00 -0.77 0.01 0.00 0.84 0.00 0.00 57.88 57.96 1n54 h LEU 239 Cb 0.18 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1n54 h LEU 239 CO 0.01 0.94 -0.16 0.50 -0.34 0.00 0.00 178.44 179.39 1n54 h LYS 240 N -0.53 -0.32 0.00 1.25 3.64 -0.24 1.07 116.57 121.44 1n54 h LYS 240 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n54 h LYS 240 Cb 0.97 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1n54 h LYS 240 CO 0.04 -0.21 0.00 1.17 -2.27 0.00 0.00 179.45 178.18 1n54 n LYS 241 N -5.28 0.05 -0.57 1.90 0.00 -0.65 -0.75 118.16 112.86 1n54 n LYS 241 Ca -0.07 0.28 0.08 0.00 0.00 0.00 0.00 58.31 58.60 1n54 n LYS 241 Cb 0.20 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 34.03 1n54 n LYS 241 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1n54 n ASP 242 N -1.43 4.36 -2.26 3.14 8.00 -0.43 -4.93 116.55 123.00 1n54 n ASP 242 Ca 0.03 -3.01 -0.17 0.00 0.71 0.00 0.00 54.79 52.34 1n54 n ASP 242 Cb 0.11 -0.59 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1n54 n ASP 242 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n54 n ARG 243 N -0.23 -3.10 -2.64 -1.24 1.74 0.07 -2.72 116.66 108.54 1n54 n ARG 243 Ca 0.23 0.75 -0.21 0.00 -0.77 0.00 0.00 57.85 57.85 1n54 n ARG 243 Cb 0.98 -5.20 0.01 0.00 -1.02 0.00 0.00 32.46 27.23 1n54 n ARG 243 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1n54 n TRP 244 N -4.18 -1.39 -3.69 -1.55 7.02 0.36 -4.89 117.44 109.12 1n54 n TRP 244 Ca -0.12 0.20 -0.38 0.00 -1.02 0.00 0.00 57.50 56.18 1n54 n TRP 244 Cb 0.61 -4.12 -0.12 0.00 -2.42 0.00 0.00 31.31 25.26 1n54 n TRP 244 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1n54 s GLN 245 N -5.30 3.52 0.55 -0.99 -0.21 -1.10 -3.91 119.66 112.20 1n54 s GLN 245 Ca 0.12 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 54.96 1n54 s GLN 245 Cb -0.05 -3.48 0.04 0.00 1.00 0.00 0.00 33.01 30.52 1n54 s GLN 245 CO 0.14 -0.30 0.38 -1.83 -2.12 0.00 0.00 175.29 171.56 1n54 s GLU 246 N 1.63 2.25 -0.20 2.91 4.04 -1.26 -4.94 118.70 123.12 1n54 s GLU 246 Ca 0.05 -2.06 0.21 0.00 0.04 0.00 0.00 54.97 53.22 1n54 s GLU 246 Cb -0.16 -2.05 0.46 0.00 0.02 0.00 0.00 34.13 32.39 1n54 s GLU 246 CO 0.06 -0.61 1.17 2.89 -1.84 0.00 0.00 175.26 176.92 1n54 n ARG 247 N -1.74 1.21 0.00 -4.83 1.85 -1.26 -4.94 116.66 106.95 1n54 n ARG 247 Ca -0.03 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 1n54 n ARG 247 Cb 0.64 -0.90 0.00 0.00 -1.05 0.00 0.00 32.46 31.15 1n54 n ARG 247 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1n54 n HIS 248 N -0.43 0.00 -2.14 2.89 -0.00 -1.26 -3.82 115.22 110.45 1n54 n HIS 248 Ca 0.02 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.78 1n54 n HIS 248 Cb 0.89 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.73 1n54 n HIS 248 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1n54 s ILE 249 N -1.00 3.80 -0.02 3.57 1.01 -1.26 -3.74 121.20 123.56 1n54 s ILE 249 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1n54 s ILE 249 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1n54 s ILE 249 CO 0.00 -0.11 1.15 -0.76 0.00 0.00 0.00 174.94 175.22 1n54 s LEU 250 N 3.98 4.31 -0.37 2.97 1.43 -1.26 -5.00 118.68 124.74 1n54 s LEU 250 Ca 0.68 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 1n54 s LEU 250 Cb -0.29 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.39 1n54 s LEU 250 CO 0.25 -0.50 0.21 -0.13 0.23 0.00 0.00 176.35 176.41 1n54 s ARG 251 N 1.75 2.89 0.31 1.70 1.81 -1.26 -4.72 118.95 121.43 1n54 s ARG 251 Ca 0.55 -1.04 0.13 0.00 -1.72 0.00 0.00 55.73 53.66 1n54 s ARG 251 Cb -0.25 -3.73 0.48 0.00 -0.45 0.00 0.00 34.95 31.01 1n54 s ARG 251 CO 0.24 -0.67 1.66 -1.35 -0.68 0.00 0.00 175.30 174.50 1n54 h PRO 252 N 8.44 0.00 -1.64 3.54 0.11 -1.95 -3.26 132.00 137.24 1n54 h PRO 252 Ca -0.26 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 1n54 h PRO 252 Cb 1.11 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 1n54 h PRO 252 CO 0.67 0.52 0.29 2.48 -0.21 0.00 0.00 178.00 181.75 1n54 n TYR 253 N -3.72 1.07 -0.09 0.65 0.18 -1.26 -3.81 117.16 110.19 1n54 n TYR 253 Ca -0.01 -1.64 -0.15 0.00 1.88 0.00 0.00 57.90 57.97 1n54 n TYR 253 Cb 0.57 -0.80 -0.14 0.00 -0.38 0.00 0.00 39.34 38.59 1n54 n TYR 253 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1n54 n LEU 254 N 0.66 1.86 -0.88 -3.48 0.00 -1.23 -3.83 117.00 110.10 1n54 n LEU 254 Ca 0.21 0.02 0.09 0.00 0.00 0.00 0.00 56.01 56.32 1n54 n LEU 254 Cb 0.57 -0.43 0.24 0.00 0.00 0.00 0.00 43.42 43.79 1n54 n LEU 254 CO 0.26 0.74 0.70 0.00 0.00 0.00 0.00 177.39 179.09 1n54 n ALA 255 N -3.00 2.43 0.01 1.96 0.00 -1.25 -3.81 120.51 116.86 1n54 n ALA 255 Ca -0.37 -0.82 0.01 0.00 0.00 0.00 0.00 53.44 52.26 1n54 n ALA 255 Cb 1.05 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 19.55 1n54 n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1n54 n PHE 256 N 0.89 0.06 -0.24 0.00 3.72 -1.26 -4.68 117.46 115.96 1n54 n PHE 256 Ca 0.17 -0.33 0.01 0.00 -0.05 0.00 0.00 57.45 57.25 1n54 n PHE 256 Cb 0.42 -0.03 0.13 0.00 -0.94 0.00 0.00 39.48 39.06 1n54 n PHE 256 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1n54 h ASP 257 N 0.39 0.41 -0.72 4.37 3.58 -1.66 0.35 116.42 123.13 1n54 h ASP 257 Ca 0.00 0.07 0.11 0.00 0.42 0.00 0.00 57.03 57.62 1n54 h ASP 257 Cb 0.38 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.36 1n54 h ASP 257 CO 0.00 0.23 0.34 0.28 -2.88 0.00 0.00 179.24 177.21 1n54 h SER 258 N 0.56 0.42 1.11 2.28 0.02 -1.88 -0.64 113.55 115.42 1n54 h SER 258 Ca 0.34 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1n54 h SER 258 Cb 0.38 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1n54 h SER 258 CO -0.28 0.22 -0.91 0.40 -1.14 0.00 0.00 176.83 175.12 1n54 h ILE 259 N 0.56 0.17 0.08 3.27 2.04 -1.74 -3.39 117.51 118.50 1n54 h ILE 259 Ca 0.37 -1.31 -0.25 0.00 1.00 0.00 0.00 64.86 64.67 1n54 h ILE 259 Cb 0.44 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1n54 h ILE 259 CO -0.30 0.10 -1.13 0.25 0.00 0.00 0.00 178.15 177.06 1n54 h LEU 260 N 0.00 0.33 0.17 1.44 5.85 0.42 -3.39 115.31 120.12 1n54 h LEU 260 Ca -0.04 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1n54 h LEU 260 Cb 1.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1n54 h LEU 260 CO 0.01 1.24 -0.23 0.00 -0.34 0.00 0.00 178.44 179.12 1n54 n GLU 262 N -5.35 0.01 -2.09 0.00 0.28 -1.26 -4.61 120.64 107.61 1n54 n GLU 262 Ca -0.07 0.43 -0.38 0.00 -0.16 0.00 0.00 57.16 56.98 1n54 n GLU 262 Cb 0.26 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.64 1n54 n GLU 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n54 s ALA 263 N -2.91 2.98 -0.33 -1.84 0.00 -0.58 -4.98 121.76 114.09 1n54 s ALA 263 Ca 0.01 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 1n54 s ALA 263 Cb 0.01 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1n54 s ALA 263 CO 0.03 -0.88 0.07 -0.51 0.00 0.00 0.00 175.76 174.47 1n54 s LEU 264 N -3.05 4.23 1.06 0.00 1.43 -1.26 -4.98 118.68 116.11 1n54 s LEU 264 Ca 0.64 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.29 1n54 s LEU 264 Cb -0.34 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1n54 s LEU 264 CO 0.41 -0.32 -0.24 0.00 0.23 0.00 0.00 176.35 176.43 1n54 n GLN 265 N 4.72 -0.99 -4.61 1.70 3.00 -1.26 -4.89 117.38 115.05 1n54 n GLN 265 Ca -0.12 -0.27 -0.27 0.00 -0.01 0.00 0.00 57.00 56.32 1n54 n GLN 265 Cb 0.44 -1.56 -0.11 0.00 0.00 0.00 0.00 30.24 29.01 1n54 n GLN 265 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1n54 s HIS 266 N -2.21 2.38 -0.14 1.08 3.76 0.39 -4.84 115.29 115.72 1n54 s HIS 266 Ca 0.52 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1n54 s HIS 266 Cb -0.10 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1n54 s HIS 266 CO 0.67 0.36 -0.14 -0.80 -0.85 0.00 0.00 174.74 173.99 1n54 s ASN 267 N -3.69 3.88 -0.37 1.40 -0.87 -1.26 0.35 114.94 114.38 1n54 s ASN 267 Ca 0.33 -0.38 -0.25 0.00 -1.57 0.00 0.00 52.86 50.99 1n54 s ASN 267 Cb 0.09 -1.59 0.01 0.00 -0.02 0.00 0.00 41.25 39.74 1n54 s ASN 267 CO 0.16 0.14 0.90 -0.76 -2.57 0.00 0.00 177.10 174.97 1n54 s LEU 268 N 0.51 4.03 0.95 0.60 1.43 -1.26 -5.03 118.68 119.90 1n54 s LEU 268 Ca -0.09 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1n54 s LEU 268 Cb -0.16 -3.21 0.16 0.00 0.03 0.00 0.00 46.19 43.01 1n54 s LEU 268 CO 0.04 -0.83 1.12 -2.84 0.23 0.00 0.00 176.35 174.07 1n54 s PRO 269 N 3.40 0.78 -0.15 1.29 0.02 -1.26 -4.82 135.00 134.25 1n54 s PRO 269 Ca 0.37 1.38 -0.39 0.00 0.02 0.00 0.00 61.00 62.38 1n54 s PRO 269 Cb -0.12 -1.71 -0.16 0.00 0.02 0.00 0.00 34.50 32.53 1n54 s PRO 269 CO 0.18 -2.74 1.59 -2.30 -0.33 0.00 0.00 177.00 173.40 1n54 n PRO 270 N -4.29 1.11 -3.90 5.54 -0.02 -1.26 -4.96 135.00 127.22 1n54 n PRO 270 Ca 0.10 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 1n54 n PRO 270 Cb 0.53 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1n54 n PRO 270 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1n54 s PHE 271 N 2.40 3.00 -0.41 6.00 2.19 -1.26 -5.08 117.98 124.82 1n54 s PHE 271 Ca 0.93 -1.08 -0.03 0.00 0.33 0.00 0.00 56.93 57.08 1n54 s PHE 271 Cb -1.04 -2.11 0.11 0.00 -1.31 0.00 0.00 43.02 38.66 1n54 s PHE 271 CO 0.59 -0.59 0.20 0.99 1.83 0.00 0.00 175.22 178.24 1n54 s THR 272 N 1.45 3.35 -0.31 0.12 2.01 -1.26 -4.83 115.64 116.17 1n54 s THR 272 Ca 0.04 -1.99 -0.42 0.00 0.31 0.00 0.00 61.69 59.63 1n54 s THR 272 Cb -0.15 -3.27 -0.17 0.00 0.01 0.00 0.00 72.50 68.92 1n54 s THR 272 CO -0.03 -0.66 1.62 -2.65 -0.69 0.00 0.00 174.62 172.21 1n54 n PRO 273 N 4.62 0.70 -1.72 4.92 -0.02 -1.26 -4.80 135.00 137.44 1n54 n PRO 273 Ca -0.03 0.26 -0.64 0.00 -2.02 0.00 0.00 63.50 61.07 1n54 n PRO 273 Cb 0.41 -1.86 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1n54 n PRO 273 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n54 n PRO 274 N 4.44 0.41 -1.65 0.52 -0.02 -1.26 -4.86 135.00 132.58 1n54 n PRO 274 Ca 0.27 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 1n54 n PRO 274 Cb 0.07 -1.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1n54 n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n54 n PRO 275 N 4.26 1.50 -1.85 0.52 -0.02 -1.26 -4.92 135.00 133.24 1n54 n PRO 275 Ca 0.29 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1n54 n PRO 275 Cb 0.02 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 1n54 n PRO 275 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1n54 s HIS 276 N -1.29 2.97 0.09 6.00 5.65 -1.26 -5.01 115.29 122.44 1n54 s HIS 276 Ca 0.65 0.56 0.04 0.00 0.25 0.00 0.00 55.06 56.56 1n54 s HIS 276 Cb -0.50 -4.02 -0.03 0.00 -1.18 0.00 0.00 32.58 26.85 1n54 s HIS 276 CO 0.55 -3.73 -0.10 -0.08 -0.65 0.00 0.00 174.74 170.72 1n54 s THR 277 N 0.98 0.92 -1.69 0.89 -1.32 -1.26 -4.98 115.64 109.19 1n54 s THR 277 Ca 0.71 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 1n54 s THR 277 Cb -0.46 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1n54 s THR 277 CO 0.34 -0.49 0.08 -0.62 -2.21 0.00 0.00 174.62 171.71 1n54 n GLU 278 N 0.76 0.09 -0.34 7.08 4.71 -1.26 0.02 120.64 131.70 1n54 n GLU 278 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.04 1n54 n GLU 278 Cb 0.57 -1.01 0.11 0.00 -1.01 0.00 0.00 31.44 30.09 1n54 n GLU 278 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1n54 n ASP 279 N -0.20 1.59 -4.46 1.62 8.00 -1.26 -5.05 116.55 116.80 1n54 n ASP 279 Ca 0.00 -2.86 -0.33 0.00 0.71 0.00 0.00 54.79 52.31 1n54 n ASP 279 Cb 0.01 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 1n54 n ASP 279 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n54 s SER 280 N -2.40 4.31 -0.17 -2.24 0.01 0.10 -4.98 113.70 108.33 1n54 s SER 280 Ca 0.25 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1n54 s SER 280 Cb 0.23 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1n54 s SER 280 CO -0.00 0.24 -0.17 -0.69 0.41 0.00 0.00 173.24 173.02 1n54 s VAL 281 N -0.10 1.88 -0.09 3.43 1.01 -1.26 -4.92 120.40 120.35 1n54 s VAL 281 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1n54 s VAL 281 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1n54 s VAL 281 CO 0.03 0.49 -0.11 -0.31 0.00 0.00 0.00 175.10 175.19 1n54 s TYR 282 N 1.36 2.81 0.13 5.22 1.51 -1.26 -4.84 117.35 122.28 1n54 s TYR 282 Ca 0.04 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.52 1n54 s TYR 282 Cb -0.13 -1.75 -0.16 0.00 -0.11 0.00 0.00 41.96 39.81 1n54 s TYR 282 CO -0.12 0.06 0.61 -2.30 -1.11 0.00 0.00 175.55 172.68 1n54 n PRO 283 N 2.83 0.00 -2.61 -1.71 -0.02 -1.26 -4.89 135.00 127.34 1n54 n PRO 283 Ca -0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 1n54 n PRO 283 Cb 0.53 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.94 1n54 n PRO 283 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1n54 s MET 284 N -0.63 3.97 0.54 -0.52 -1.94 -1.26 -4.93 119.30 114.54 1n54 s MET 284 Ca 0.64 1.34 -0.21 0.00 -1.71 0.00 0.00 55.69 55.75 1n54 s MET 284 Cb -0.91 -2.21 -0.07 0.00 2.01 0.00 0.00 34.83 33.65 1n54 s MET 284 CO 0.50 -0.28 1.01 -0.35 -0.01 0.00 0.00 175.02 175.89 1n54 n PRO 285 N -0.70 1.14 -4.27 2.03 -0.04 -1.26 -5.02 135.00 126.88 1n54 n PRO 285 Ca 0.08 0.42 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 1n54 n PRO 285 Cb 0.52 -2.17 -0.12 0.00 -0.04 0.00 0.00 33.50 31.70 1n54 n PRO 285 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1n54 s ARG 286 N -2.51 1.08 -0.18 0.54 0.52 -1.26 -4.99 118.95 112.15 1n54 s ARG 286 Ca 0.71 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1n54 s ARG 286 Cb -0.46 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.82 1n54 s ARG 286 CO 0.51 0.26 -0.08 0.08 0.02 0.00 0.00 175.30 176.08 1n54 s VAL 287 N -1.55 3.24 0.31 3.52 1.01 -1.26 -1.28 120.40 124.40 1n54 s VAL 287 Ca 0.07 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1n54 s VAL 287 Cb -0.08 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 1n54 s VAL 287 CO 0.04 0.47 1.50 -0.63 0.00 0.00 0.00 175.10 176.49 1n54 s ILE 288 N 0.94 2.26 -0.22 2.22 -1.09 0.23 -4.90 121.20 120.63 1n54 s ILE 288 Ca -0.01 0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 58.44 1n54 s ILE 288 Cb -0.15 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1n54 s ILE 288 CO 0.00 0.04 0.61 0.12 -1.23 0.00 0.00 174.94 174.48 1n54 s PHE 289 N -0.44 3.34 -0.07 3.97 5.36 -1.26 -4.00 117.98 124.88 1n54 s PHE 289 Ca 0.58 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1n54 s PHE 289 Cb -0.45 -2.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.46 1n54 s PHE 289 CO 0.52 -0.22 -0.00 0.50 -1.46 0.00 0.00 175.22 174.56 1n54 s ARG 290 N 2.07 0.63 0.00 10.12 6.06 -1.26 -4.95 118.95 131.62 1n54 s ARG 290 Ca 0.27 0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.59 1n54 s ARG 290 Cb -0.16 -0.96 0.00 0.00 0.06 0.00 0.00 34.95 33.89 1n54 s ARG 290 CO 0.10 -0.29 0.31 0.00 -2.50 0.00 0.00 175.30 172.92 1n54 n MET 291 N 5.05 0.00 -3.96 5.12 0.00 -1.26 -4.76 117.12 117.32 1n54 n MET 291 Ca -0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 57.70 57.20 1n54 n MET 291 Cb 0.50 -0.39 -0.12 0.00 0.00 0.00 0.00 33.22 33.21 1n54 n MET 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1n54 s PHE 292 N 0.00 0.20 0.28 3.17 0.08 -1.26 -5.08 117.98 115.37 1n54 s PHE 292 Ca 0.00 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 1n54 s PHE 292 Cb 0.00 -0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.30 1n54 s PHE 292 CO 0.00 -0.14 0.43 0.16 -0.10 0.00 0.00 175.22 175.57 1n54 s ASP 293 N -1.09 0.28 0.46 1.36 -4.77 -1.26 -4.88 116.67 106.78 1n54 s ASP 293 Ca -0.12 -1.19 0.31 0.00 -3.30 0.00 0.00 52.55 48.26 1n54 s ASP 293 Cb -0.07 0.59 1.64 0.00 -1.09 0.00 0.00 42.92 43.98 1n54 s ASP 293 CO -0.01 -1.16 1.96 0.10 0.70 0.00 0.00 175.17 176.76 1n54 h TYR 294 N 2.26 0.00 0.00 2.11 -0.00 -1.86 -2.90 116.97 116.58 1n54 h TYR 294 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.45 1n54 h TYR 294 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 1n54 h TYR 294 CO 0.77 0.00 -0.04 1.79 -0.00 0.00 0.00 178.16 180.69 1n54 h THR 295 N 0.00 0.00 -0.29 -0.90 1.35 -1.96 -3.25 112.91 107.86 1n54 h THR 295 Ca 0.00 -0.84 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 1n54 h THR 295 Cb 0.08 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1n54 h THR 295 CO 0.00 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.70 1n54 h ASP 296 N 0.00 0.52 -3.42 5.36 3.32 -1.94 -3.33 116.42 116.93 1n54 h ASP 296 Ca 0.00 -0.31 -0.72 0.00 0.02 0.00 0.00 57.03 56.02 1n54 h ASP 296 Cb 0.92 -0.14 -0.27 0.00 0.22 0.00 0.00 39.33 40.06 1n54 h ASP 296 CO 0.00 0.70 -0.44 -0.62 -1.72 0.00 0.00 179.24 177.17 1n54 s ASP 297 N -6.04 5.74 -0.08 6.45 2.15 -1.23 -4.96 116.67 118.71 1n54 s ASP 297 Ca -0.13 -1.49 -0.02 0.00 0.43 0.00 0.00 52.55 51.33 1n54 s ASP 297 Cb 0.08 -2.03 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1n54 s ASP 297 CO 0.76 -0.57 0.10 1.55 -0.17 0.00 0.00 175.17 176.85 1n54 h PRO 298 N 8.48 -0.08 -6.07 4.34 0.13 -1.72 -3.45 132.00 133.62 1n54 h PRO 298 Ca -0.24 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.32 1n54 h PRO 298 Cb 1.09 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1n54 h PRO 298 CO 0.79 -0.06 0.68 -1.21 -0.23 0.00 0.00 178.00 177.97 1n54 s GLU 299 N -1.81 4.29 0.00 0.86 2.02 -1.26 -4.86 118.70 117.94 1n54 s GLU 299 Ca -0.01 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1n54 s GLU 299 Cb 0.00 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1n54 s GLU 299 CO 0.04 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1n54 n GLY 300 N 3.33 1.36 3.56 -1.39 0.00 -1.26 -5.10 105.19 105.69 1n54 n GLY 300 Ca 0.10 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1n54 n GLY 300 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n54 n PRO 301 N -1.31 0.95 -2.76 1.61 -0.04 -1.26 -4.93 135.00 127.26 1n54 n PRO 301 Ca 0.00 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 1n54 n PRO 301 Cb 0.00 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1n54 n PRO 301 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n54 s VAL 302 N -1.45 4.66 0.23 0.52 1.01 -1.26 -4.53 120.40 119.58 1n54 s VAL 302 Ca 0.67 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.96 1n54 s VAL 302 Cb -0.51 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.49 1n54 s VAL 302 CO 0.54 -0.31 1.45 -0.32 0.00 0.00 0.00 175.10 176.47 1n54 s MET 303 N 3.27 4.27 0.89 2.72 1.75 -1.26 -4.86 119.30 126.08 1n54 s MET 303 Ca 0.40 2.29 -0.14 0.00 -1.25 0.00 0.00 55.69 56.99 1n54 s MET 303 Cb -0.14 -3.13 -0.00 0.00 2.84 0.00 0.00 34.83 34.40 1n54 s MET 303 CO 0.12 -0.44 0.32 -2.30 -0.65 0.00 0.00 175.02 172.06 1n54 n PRO 304 N 2.67 -0.10 -2.11 4.11 -0.02 -1.26 -4.45 135.00 133.84 1n54 n PRO 304 Ca 0.08 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 1n54 n PRO 304 Cb 0.40 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1n54 n PRO 304 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1n54 s GLY 305 N -1.76 1.88 0.33 -1.23 0.00 -1.26 -4.76 107.32 100.53 1n54 s GLY 305 Ca 0.57 0.08 0.10 0.00 0.00 0.00 0.00 44.72 45.48 1n54 s GLY 305 CO 0.66 0.35 1.76 1.76 0.00 0.00 0.00 173.10 177.64 1n54 h SER 306 N 0.28 0.66 0.11 1.64 0.02 -1.91 -1.09 113.55 113.26 1n54 h SER 306 Ca -0.45 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1n54 h SER 306 Cb 1.19 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1n54 h SER 306 CO 0.61 0.17 -0.25 1.41 -1.14 0.00 0.00 176.83 177.63 1n54 n HIS 307 N -4.77 0.00 -1.92 3.45 8.25 -1.26 -4.89 115.22 114.08 1n54 n HIS 307 Ca 0.25 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.40 1n54 n HIS 307 Cb 0.71 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.77 1n54 n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n54 s SER 308 N -2.37 6.09 0.09 0.41 1.04 -0.41 -3.37 113.70 115.18 1n54 s SER 308 Ca 0.25 1.52 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 1n54 s SER 308 Cb 0.19 -2.49 -0.19 0.00 0.10 0.00 0.00 66.02 63.63 1n54 s SER 308 CO 0.48 -0.96 1.21 -0.37 0.98 0.00 0.00 173.24 174.58 1n54 h VAL 309 N -0.11 1.36 -0.66 5.02 -1.51 -1.85 -3.33 116.25 115.17 1n54 h VAL 309 Ca -0.45 -2.50 0.10 0.00 -1.23 0.00 0.00 66.70 62.62 1n54 h VAL 309 Cb 1.20 2.56 -0.12 0.00 -2.13 0.00 0.00 31.29 32.80 1n54 h VAL 309 CO 0.60 0.75 -0.43 -0.33 -1.23 0.00 0.00 177.57 176.94 1n54 h GLU 310 N 0.25 -0.17 -0.37 5.19 3.07 -1.94 0.18 114.58 120.79 1n54 h GLU 310 Ca -0.12 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1n54 h GLU 310 Cb 1.74 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.61 1n54 h GLU 310 CO 0.20 -0.11 -0.49 -0.09 -1.40 0.00 0.00 179.01 177.12 1n54 h ARG 311 N -0.17 -0.37 -1.01 2.33 9.65 -1.81 0.45 114.38 123.45 1n54 h ARG 311 Ca 0.21 0.03 0.23 0.00 -1.10 0.00 0.00 59.98 59.35 1n54 h ARG 311 Cb 0.56 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 29.10 1n54 h ARG 311 CO -0.74 -0.25 0.60 0.35 2.80 0.00 0.00 179.97 182.73 1n54 h PHE 312 N -0.38 1.02 0.67 2.20 3.57 -0.88 -1.90 116.94 121.24 1n54 h PHE 312 Ca 0.10 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1n54 h PHE 312 Cb 0.60 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.05 1n54 h PHE 312 CO -0.65 0.11 -0.32 0.28 -2.23 0.00 0.00 178.31 175.49 1n54 h VAL 313 N 0.62 0.00 -0.34 1.41 2.07 0.21 0.76 116.25 120.97 1n54 h VAL 313 Ca 0.63 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 68.15 1n54 h VAL 313 Cb 1.15 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1n54 h VAL 313 CO -0.45 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.29 1n54 h ILE 314 N -0.98 0.35 -0.59 4.57 2.04 -0.73 0.01 117.51 122.18 1n54 h ILE 314 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1n54 h ILE 314 Cb 0.69 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1n54 h ILE 314 CO 0.15 0.00 0.31 -0.33 0.00 0.00 0.00 178.15 178.28 1n54 h GLU 315 N -0.21 0.56 -0.67 2.37 5.08 -1.40 0.50 114.58 120.80 1n54 h GLU 315 Ca 0.17 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1n54 h GLU 315 Cb 0.48 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1n54 h GLU 315 CO -0.47 0.37 0.23 1.49 -1.00 0.00 0.00 179.01 179.64 1n54 h GLU 316 N 0.57 1.02 -0.04 2.33 4.57 -0.13 -1.37 114.58 121.53 1n54 h GLU 316 Ca 0.27 -0.19 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 1n54 h GLU 316 Cb 0.19 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1n54 h GLU 316 CO -0.19 0.85 -0.58 -0.91 -1.18 0.00 0.00 179.01 177.01 1n54 h ASN 317 N 0.99 0.59 -0.62 1.04 2.35 0.00 -2.84 115.58 117.09 1n54 h ASN 317 Ca 0.22 -0.71 0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1n54 h ASN 317 Cb 0.25 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1n54 h ASN 317 CO -0.01 1.21 0.40 -0.07 -1.65 0.00 0.00 177.43 177.31 1n54 h LEU 318 N 0.01 0.69 -1.53 1.61 3.38 0.05 0.36 115.31 119.89 1n54 h LEU 318 Ca -0.06 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1n54 h LEU 318 Cb 1.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1n54 h LEU 318 CO 0.12 0.50 0.49 0.45 0.09 0.00 0.00 178.44 180.09 1n54 h HIS 319 N 0.82 0.55 0.00 1.13 3.86 -1.31 -0.26 115.15 119.95 1n54 h HIS 319 Ca 0.23 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 1n54 h HIS 319 Cb -0.08 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1n54 h HIS 319 CO -0.03 0.23 -0.78 0.00 0.86 0.00 0.00 177.93 178.21 1n54 h ILE 321 N 0.00 1.28 0.00 0.00 2.04 0.14 -2.48 117.51 118.49 1n54 h ILE 321 Ca -0.01 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1n54 h ILE 321 Cb 1.38 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1n54 h ILE 321 CO 0.10 0.41 0.00 0.40 0.00 0.00 0.00 178.15 179.06 1n54 h ILE 322 N 0.52 0.00 -0.04 -0.67 2.04 -1.44 -2.74 117.51 115.19 1n54 h ILE 322 Ca 0.09 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1n54 h ILE 322 Cb 0.66 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1n54 h ILE 322 CO 0.04 0.00 -0.22 0.50 0.00 0.00 0.00 178.15 178.47 1n54 h LYS 323 N 0.00 0.06 0.00 2.37 3.64 -0.87 -3.00 116.57 118.77 1n54 h LYS 323 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1n54 h LYS 323 Cb 0.89 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1n54 h LYS 323 CO 0.00 0.28 -0.57 0.77 -2.27 0.00 0.00 179.45 177.66 1n54 h SER 324 N 0.06 0.00 -1.78 4.20 0.02 -1.25 -3.42 113.55 111.37 1n54 h SER 324 Ca 0.01 -0.07 -0.74 0.00 -0.84 0.00 0.00 61.79 60.14 1n54 h SER 324 Cb 0.43 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.69 1n54 h SER 324 CO 0.03 0.84 0.92 1.41 -1.14 0.00 0.00 176.83 178.89 1n54 n HIS 325 N -4.60 3.05 0.09 3.45 8.25 -1.05 -4.57 115.22 119.84 1n54 n HIS 325 Ca -0.10 -2.49 -0.18 0.00 -0.26 0.00 0.00 57.72 54.69 1n54 n HIS 325 Cb 0.31 -1.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.10 1n54 n HIS 325 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1n54 h TRP 326 N 2.79 0.58 -0.01 4.41 5.08 -1.78 -3.25 115.95 123.77 1n54 h TRP 326 Ca 0.56 -0.42 0.00 0.00 1.08 0.00 0.00 58.89 60.11 1n54 h TRP 326 Cb 0.22 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1n54 h TRP 326 CO 1.20 1.41 0.22 0.87 -1.28 0.00 0.00 178.44 180.87 1n54 h LYS 327 N 0.09 0.00 -3.60 0.12 1.57 -1.88 -3.28 116.57 109.59 1n54 h LYS 327 Ca -0.23 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.94 1n54 h LYS 327 Cb 2.04 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.95 1n54 h LYS 327 CO 0.19 0.00 -0.74 -1.21 -0.57 0.00 0.00 179.45 177.13 1n54 s GLU 328 N -4.15 1.11 0.27 3.15 2.02 -1.22 -4.99 118.70 114.90 1n54 s GLU 328 Ca -0.04 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 53.32 1n54 s GLU 328 Cb 0.10 -2.41 0.41 0.00 0.10 0.00 0.00 34.13 32.34 1n54 s GLU 328 CO 0.33 -1.04 1.89 0.07 0.02 0.00 0.00 175.26 176.54 1n54 h ARG 329 N 7.49 1.14 -0.33 1.61 0.11 -1.77 -2.33 114.38 120.29 1n54 h ARG 329 Ca -0.08 -0.07 0.01 0.00 0.10 0.00 0.00 59.98 59.95 1n54 h ARG 329 Cb 0.98 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 31.78 1n54 h ARG 329 CO 0.50 0.76 0.21 -0.22 0.10 0.00 0.00 179.97 181.31 1n54 h LYS 330 N 1.18 0.41 -0.08 0.08 1.63 -1.94 -2.80 116.57 115.05 1n54 h LYS 330 Ca 0.42 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.17 1n54 h LYS 330 Cb 0.14 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1n54 h LYS 330 CO -0.16 0.27 -0.07 1.15 -3.45 0.00 0.00 179.45 177.19 1n54 h THR 331 N 0.42 1.35 -1.11 1.00 2.02 -1.88 -3.17 112.91 111.55 1n54 h THR 331 Ca 0.13 -1.18 0.34 0.00 0.77 0.00 0.00 66.41 66.46 1n54 h THR 331 Cb -0.02 1.96 -0.13 0.00 -1.74 0.00 0.00 68.15 68.22 1n54 h THR 331 CO -0.05 0.33 0.69 0.00 0.37 0.00 0.00 175.52 176.86 1n54 h ALA 333 N 1.70 -0.82 0.10 0.00 0.00 -1.46 -2.21 119.26 116.57 1n54 h ALA 333 Ca 0.72 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.49 1n54 h ALA 333 Cb 1.88 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 20.10 1n54 h ALA 333 CO -0.45 -0.98 -0.19 0.00 0.00 0.00 0.00 179.25 177.62 1n54 h ALA 334 N -0.39 -0.32 -0.49 0.00 0.00 -1.21 0.33 119.26 117.18 1n54 h ALA 334 Ca -0.05 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1n54 h ALA 334 Cb 0.68 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1n54 h ALA 334 CO 0.02 -0.72 0.44 1.96 0.00 0.00 0.00 179.25 180.96 1n54 h GLN 335 N -0.37 0.00 0.00 0.00 1.08 -1.36 0.12 115.11 114.59 1n54 h GLN 335 Ca 0.03 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1n54 h GLN 335 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1n54 h GLN 335 CO -0.11 0.00 -0.49 1.25 -0.95 0.00 0.00 178.83 178.53 1n54 h LEU 336 N 0.00 0.00 -2.27 1.46 5.85 -0.66 -3.36 115.31 116.33 1n54 h LEU 336 Ca 0.23 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1n54 h LEU 336 Cb 1.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1n54 h LEU 336 CO -0.00 1.02 0.00 0.58 -0.34 0.00 0.00 178.44 179.70 1n54 h VAL 337 N -1.00 0.73 -2.06 1.05 2.07 0.56 -2.90 116.25 114.69 1n54 h VAL 337 Ca -0.11 0.00 -0.74 0.00 0.82 0.00 0.00 66.70 66.67 1n54 h VAL 337 Cb 0.83 1.00 -0.31 0.00 -1.52 0.00 0.00 31.29 31.28 1n54 h VAL 337 CO -0.07 0.00 0.60 -1.54 0.02 0.00 0.00 177.57 176.58 1n54 n SER 338 N -4.14 6.71 -4.78 0.57 3.41 0.33 -5.02 113.62 110.69 1n54 n SER 338 Ca -0.03 -3.75 -0.37 0.00 -0.26 0.00 0.00 58.87 54.46 1n54 n SER 338 Cb 0.09 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 63.02 1n54 n SER 338 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1n54 s TYR 339 N -4.03 3.57 0.57 7.33 5.04 -1.10 -4.92 117.35 123.83 1n54 s TYR 339 Ca 0.46 1.74 0.31 0.00 -2.44 0.00 0.00 57.07 57.14 1n54 s TYR 339 Cb 0.32 -2.98 1.43 0.00 0.35 0.00 0.00 41.96 41.08 1n54 s TYR 339 CO -0.25 -0.02 1.79 -1.35 -1.34 0.00 0.00 175.55 174.38 1n54 h PRO 340 N 2.99 0.00 -0.23 4.97 0.11 -1.93 -3.47 132.00 134.44 1n54 h PRO 340 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n54 h PRO 340 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n54 h PRO 340 CO 0.64 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 1n54 n GLY 341 N -1.63 0.00 0.00 -0.55 0.00 -1.26 -4.86 105.19 96.89 1n54 n GLY 341 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1n54 n GLY 341 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n54 n LYS 342 N 0.07 0.00 -3.16 1.61 4.81 -1.25 -4.34 118.16 115.91 1n54 n LYS 342 Ca 0.00 0.75 -0.39 0.00 -0.87 0.00 0.00 58.31 57.80 1n54 n LYS 342 Cb 0.00 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.57 1n54 n LYS 342 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1n54 s ASN 343 N -2.65 7.00 -0.04 3.14 -0.87 -1.25 -4.99 114.94 115.28 1n54 s ASN 343 Ca 0.00 1.19 -0.33 0.00 -1.57 0.00 0.00 52.86 52.15 1n54 s ASN 343 Cb 0.00 -2.38 -0.11 0.00 -0.02 0.00 0.00 41.25 38.73 1n54 s ASN 343 CO 0.00 0.06 1.88 1.17 -2.57 0.00 0.00 177.10 177.64 1n54 n LYS 344 N 2.88 2.34 -4.56 -0.60 4.81 -1.26 -4.99 118.16 116.77 1n54 n LYS 344 Ca -0.06 0.86 -0.26 0.00 -0.87 0.00 0.00 58.31 57.98 1n54 n LYS 344 Cb 0.51 -2.72 -0.11 0.00 0.02 0.00 0.00 35.03 32.73 1n54 n LYS 344 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1n54 s ILE 345 N 3.86 2.05 -1.21 3.15 -4.36 -1.26 -4.59 121.20 118.83 1n54 s ILE 345 Ca 0.91 -2.11 -0.10 0.00 -0.26 0.00 0.00 60.65 59.09 1n54 s ILE 345 Cb -0.63 -2.78 0.20 0.00 1.25 0.00 0.00 42.46 40.49 1n54 s ILE 345 CO 0.48 -0.12 1.60 -0.81 0.24 0.00 0.00 174.94 176.33 1n54 n PRO 346 N -0.84 3.65 -0.32 0.37 -0.04 -1.26 -4.88 135.00 131.68 1n54 n PRO 346 Ca -0.05 -3.87 0.16 0.00 -0.04 0.00 0.00 63.50 59.70 1n54 n PRO 346 Cb 0.65 -2.87 0.33 0.00 -0.04 0.00 0.00 33.50 31.57 1n54 n PRO 346 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n54 h LEU 347 N 8.04 -0.15 -0.05 1.53 5.85 -1.98 -1.64 115.31 126.92 1n54 h LEU 347 Ca 0.32 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.31 1n54 h LEU 347 Cb 0.73 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1n54 h LEU 347 CO 1.40 -0.27 -0.28 0.78 -0.34 0.00 0.00 178.44 179.73 1n54 h ASN 348 N 0.10 -0.83 0.27 1.25 2.35 -1.98 0.75 115.58 117.49 1n54 h ASN 348 Ca 0.61 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 56.43 1n54 h ASN 348 Cb 1.30 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 1n54 h ASN 348 CO -0.77 -0.33 -0.22 1.88 -1.65 0.00 0.00 177.43 176.34 1n54 h TYR 349 N -0.39 0.00 -0.06 1.19 -1.99 -1.74 -1.29 116.97 112.68 1n54 h TYR 349 Ca 0.08 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 1n54 h TYR 349 Cb 0.50 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.24 1n54 h TYR 349 CO -0.33 0.22 -0.40 0.45 -0.00 0.00 0.00 178.16 178.10 1n54 h HIS 350 N 0.00 0.52 0.73 4.88 3.86 -0.97 -1.18 115.15 122.99 1n54 h HIS 350 Ca -0.00 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 1n54 h HIS 350 Cb 0.41 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1n54 h HIS 350 CO 0.00 1.00 -0.50 0.82 0.86 0.00 0.00 177.93 180.12 1n54 h ILE 351 N -0.11 0.00 -0.18 2.45 2.04 0.96 -1.16 117.51 121.50 1n54 h ILE 351 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1n54 h ILE 351 Cb 1.07 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1n54 h ILE 351 CO 0.08 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.59 1n54 h VAL 352 N -1.16 0.44 -0.97 1.67 2.07 -1.35 -1.15 116.25 115.80 1n54 h VAL 352 Ca -0.10 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.61 1n54 h VAL 352 Cb 0.95 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 1n54 h VAL 352 CO 0.07 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.19 1n54 h GLU 353 N -0.26 0.65 -0.01 1.57 4.81 -1.10 -0.12 114.58 120.12 1n54 h GLU 353 Ca 0.12 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1n54 h GLU 353 Cb 0.44 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1n54 h GLU 353 CO -0.33 0.43 -0.63 0.28 -0.73 0.00 0.00 179.01 178.03 1n54 h VAL 354 N 0.67 1.44 0.51 0.32 2.07 -0.05 -1.07 116.25 120.12 1n54 h VAL 354 Ca 0.53 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1n54 h VAL 354 Cb 0.94 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1n54 h VAL 354 CO -0.29 0.61 -0.24 0.40 0.02 0.00 0.00 177.57 178.07 1n54 h ILE 355 N 0.04 0.00 -0.71 4.57 2.04 -0.02 -2.38 117.51 121.04 1n54 h ILE 355 Ca -0.01 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.52 1n54 h ILE 355 Cb 1.12 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1n54 h ILE 355 CO 0.09 0.00 0.48 -0.26 0.00 0.00 0.00 178.15 178.45 1n54 h PHE 356 N -1.13 0.51 -0.58 1.37 0.04 -1.36 0.38 116.94 116.16 1n54 h PHE 356 Ca -0.07 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.76 1n54 h PHE 356 Cb 0.52 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1n54 h PHE 356 CO 0.01 0.22 0.39 0.00 -0.60 0.00 0.00 178.31 178.32 1n54 h ALA 357 N 1.65 1.75 0.07 2.45 0.00 -1.08 0.42 119.26 124.52 1n54 h ALA 357 Ca 0.34 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1n54 h ALA 357 Cb 0.70 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n54 h ALA 357 CO -0.11 0.18 -0.84 0.93 0.00 0.00 0.00 179.25 179.41 1n54 h GLU 358 N 0.63 0.15 -0.89 0.00 5.08 -0.25 -2.68 114.58 116.62 1n54 h GLU 358 Ca 0.24 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1n54 h GLU 358 Cb 0.16 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1n54 h GLU 358 CO -0.07 1.12 0.54 1.25 -1.00 0.00 0.00 179.01 180.86 1n54 h LEU 359 N -0.63 0.82 -0.60 1.33 5.85 -0.01 -2.19 115.31 119.87 1n54 h LEU 359 Ca -0.19 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1n54 h LEU 359 Cb 1.44 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1n54 h LEU 359 CO 0.02 0.49 -0.19 0.49 -0.34 0.00 0.00 178.44 178.91 1n54 n PHE 360 N -4.65 0.00 -1.49 1.25 3.72 0.14 -4.62 117.46 111.81 1n54 n PHE 360 Ca 0.14 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.11 1n54 n PHE 360 Cb 0.24 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.61 1n54 n PHE 360 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1n54 n GLN 361 N -0.46 0.79 -2.93 -1.08 7.27 -0.82 -4.91 117.38 115.24 1n54 n GLN 361 Ca 0.14 0.12 -0.40 0.00 0.07 0.00 0.00 57.00 56.93 1n54 n GLN 361 Cb 0.35 -2.53 -0.05 0.00 2.41 0.00 0.00 30.24 30.42 1n54 n GLN 361 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1n54 s LEU 362 N 9.29 4.52 0.00 1.69 1.43 -1.26 -2.59 118.68 131.76 1n54 s LEU 362 Ca 1.13 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1n54 s LEU 362 Cb -0.75 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1n54 s LEU 362 CO 0.42 0.07 0.55 -0.81 0.23 0.00 0.00 176.35 176.81 1n54 n PRO 363 N 2.34 0.00 -4.06 1.29 -0.04 -1.26 -4.82 135.00 128.45 1n54 n PRO 363 Ca -0.03 0.26 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 1n54 n PRO 363 Cb 0.49 -1.12 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 1n54 n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n54 s ALA 364 N -2.78 3.64 0.87 0.55 0.00 -1.07 -4.96 121.76 118.01 1n54 s ALA 364 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1n54 s ALA 364 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 23.12 21.79 1n54 s ALA 364 CO 0.00 0.52 1.10 -2.14 0.00 0.00 0.00 175.76 175.24 1n54 s PRO 365 N -3.08 1.52 0.42 0.00 0.02 -1.21 -4.74 135.00 127.92 1n54 s PRO 365 Ca 0.31 0.73 0.21 0.00 0.02 0.00 0.00 61.00 62.28 1n54 s PRO 365 Cb -0.10 -1.85 0.87 0.00 0.02 0.00 0.00 34.50 33.44 1n54 s PRO 365 CO 0.24 -2.04 1.82 -1.35 -0.33 0.00 0.00 177.00 175.35 1n54 h PRO 366 N -1.40 0.00 0.00 5.54 0.11 -1.91 -3.46 132.00 130.89 1n54 h PRO 366 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n54 h PRO 366 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n54 h PRO 366 CO 0.56 0.29 0.00 0.72 -0.21 0.00 0.00 178.00 179.37 1n54 n HIS 367 N -3.57 0.00 -3.25 0.65 8.25 -1.26 -5.13 115.22 110.91 1n54 n HIS 367 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1n54 n HIS 367 Cb 0.43 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 1n54 n HIS 367 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1n54 s ILE 368 N -0.33 5.13 0.24 1.59 2.07 -1.26 -5.00 121.20 123.63 1n54 s ILE 368 Ca 0.00 0.99 -0.08 0.00 -1.41 0.00 0.00 60.65 60.15 1n54 s ILE 368 Cb 0.00 -3.85 0.37 0.00 0.13 0.00 0.00 42.46 39.12 1n54 s ILE 368 CO 0.00 0.22 1.34 0.47 -1.91 0.00 0.00 174.94 175.07 1n54 n ASP 369 N 4.40 -0.34 -0.00 4.50 9.92 -1.26 0.39 116.55 134.15 1n54 n ASP 369 Ca -0.05 1.48 0.20 0.00 -0.53 0.00 0.00 54.79 55.89 1n54 n ASP 369 Cb 0.51 -0.44 0.68 0.00 -0.64 0.00 0.00 41.12 41.23 1n54 n ASP 369 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1n54 h VAL 370 N 0.00 0.74 -0.69 2.53 3.04 -2.00 -1.68 116.25 118.20 1n54 h VAL 370 Ca 0.40 -0.01 0.04 0.00 -1.01 0.00 0.00 66.70 66.12 1n54 h VAL 370 Cb 0.62 0.72 -0.05 0.00 -2.01 0.00 0.00 31.29 30.57 1n54 h VAL 370 CO -0.88 0.00 0.42 -0.03 -1.01 0.00 0.00 177.57 176.07 1n54 h MET 371 N 0.02 0.79 -0.16 4.17 -1.53 -0.48 -2.14 114.93 115.60 1n54 h MET 371 Ca 0.25 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 1n54 h MET 371 Cb 0.99 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.86 1n54 h MET 371 CO -0.01 0.52 0.05 1.88 0.14 0.00 0.00 176.91 179.49 1n54 h TYR 372 N 0.81 0.26 -0.42 1.39 0.05 -1.41 -1.25 116.97 116.40 1n54 h TYR 372 Ca 0.28 -0.03 0.09 0.00 0.05 0.00 0.00 58.73 59.12 1n54 h TYR 372 Cb 0.06 -0.08 -0.09 0.00 1.01 0.00 0.00 36.73 37.63 1n54 h TYR 372 CO -0.05 0.36 -0.24 1.15 -1.05 0.00 0.00 178.16 178.33 1n54 h THR 373 N 0.08 0.34 -0.69 -2.88 2.02 -1.36 -1.38 112.91 109.04 1n54 h THR 373 Ca 0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1n54 h THR 373 Cb 0.22 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1n54 h THR 373 CO -0.00 0.00 0.16 0.71 0.37 0.00 0.00 175.52 176.75 1n54 h THR 374 N -0.16 1.26 0.06 3.16 1.35 -1.27 -2.85 112.91 114.46 1n54 h THR 374 Ca 0.20 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1n54 h THR 374 Cb 0.48 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1n54 h THR 374 CO -0.52 0.38 -0.06 0.25 -0.25 0.00 0.00 175.52 175.32 1n54 h LEU 375 N 1.05 -0.15 -0.68 3.87 5.85 -0.47 -0.09 115.31 124.70 1n54 h LEU 375 Ca 0.22 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.06 1n54 h LEU 375 Cb 0.39 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1n54 h LEU 375 CO 0.00 -0.09 0.28 -0.07 -0.34 0.00 0.00 178.44 178.22 1n54 h LEU 376 N -0.13 0.29 -0.87 2.25 3.38 -1.22 0.26 115.31 119.27 1n54 h LEU 376 Ca 0.00 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1n54 h LEU 376 Cb 0.13 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1n54 h LEU 376 CO -0.02 0.15 0.55 0.40 0.09 0.00 0.00 178.44 179.61 1n54 h ILE 377 N 0.46 1.11 -0.44 1.22 2.04 -1.11 0.48 117.51 121.27 1n54 h ILE 377 Ca 0.35 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1n54 h ILE 377 Cb 0.46 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1n54 h ILE 377 CO -0.33 0.19 0.19 -0.33 0.00 0.00 0.00 178.15 177.87 1n54 h GLU 378 N 1.05 0.64 -0.39 2.37 4.39 0.11 -2.18 114.58 120.58 1n54 h GLU 378 Ca 0.36 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 60.00 1n54 h GLU 378 Cb 0.06 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1n54 h GLU 378 CO -0.13 0.57 0.12 -0.07 -1.16 0.00 0.00 179.01 178.34 1n54 h LEU 379 N 0.56 0.11 -1.57 1.33 3.38 0.59 0.11 115.31 119.82 1n54 h LEU 379 Ca 0.15 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1n54 h LEU 379 Cb 0.15 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1n54 h LEU 379 CO -0.02 0.10 0.43 0.00 0.09 0.00 0.00 178.44 179.04 1n54 h LYS 381 N 0.48 0.74 -0.12 0.00 1.57 -0.26 -2.93 116.57 116.06 1n54 h LYS 381 Ca 0.30 -0.54 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1n54 h LYS 381 Cb 0.52 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1n54 h LYS 381 CO -0.09 1.16 0.03 1.25 -0.57 0.00 0.00 179.45 181.23 1n54 h LEU 382 N 0.46 0.18 -6.91 2.94 5.85 0.16 -3.35 115.31 114.64 1n54 h LEU 382 Ca -0.02 -0.22 -0.62 0.00 0.84 0.00 0.00 57.88 57.87 1n54 h LEU 382 Cb 1.21 -0.05 -0.42 0.00 0.37 0.00 0.00 40.66 41.77 1n54 h LEU 382 CO 0.13 0.35 -0.57 0.00 -0.34 0.00 0.00 178.44 178.00 1n54 n GLN 383 N -4.86 1.98 -0.18 1.25 1.13 -0.14 -4.92 117.38 111.64 1n54 n GLN 383 Ca -0.05 -4.53 -0.03 0.00 -1.94 0.00 0.00 57.00 50.44 1n54 n GLN 383 Cb 0.15 -2.28 0.17 0.00 0.11 0.00 0.00 30.24 28.39 1n54 n GLN 383 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1n54 h PRO 384 N 5.14 0.93 0.00 -1.09 0.11 -1.66 -2.78 132.00 132.66 1n54 h PRO 384 Ca 0.16 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1n54 h PRO 384 Cb 0.73 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1n54 h PRO 384 CO 0.74 0.78 -0.06 0.78 -0.21 0.00 0.00 178.00 180.04 1n54 h GLY 385 N 1.02 0.00 0.00 -0.55 0.00 -1.91 -3.39 103.07 98.24 1n54 h GLY 385 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1n54 h GLY 385 CO -0.01 0.00 -0.66 -1.14 0.00 0.00 0.00 176.54 174.72 1n54 n SER 386 N -3.27 0.27 -0.21 0.19 3.41 -1.13 -4.88 113.62 108.00 1n54 n SER 386 Ca -0.01 0.05 0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1n54 n SER 386 Cb 0.25 -0.07 0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1n54 n SER 386 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1n54 h LEU 387 N 0.00 0.10 0.00 1.04 7.12 -1.72 -3.15 115.31 118.70 1n54 h LEU 387 Ca 0.00 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1n54 h LEU 387 Cb 0.66 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1n54 h LEU 387 CO 0.00 0.05 0.00 -2.65 -0.13 0.00 0.00 178.44 175.71 1n54 n PRO 388 N -5.08 0.00 -0.42 5.25 -0.02 -1.26 -1.75 135.00 131.72 1n54 n PRO 388 Ca 0.10 0.67 0.36 0.00 -2.02 0.00 0.00 63.50 62.61 1n54 n PRO 388 Cb 0.34 -1.36 0.61 0.00 -0.02 0.00 0.00 33.50 33.07 1n54 n PRO 388 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n54 n GLN 389 N -2.11 -0.04 0.12 -0.52 3.00 -1.19 -0.10 117.38 116.55 1n54 n GLN 389 Ca 0.00 1.16 -0.11 0.00 -0.01 0.00 0.00 57.00 58.03 1n54 n GLN 389 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 30.24 27.91 1n54 n GLN 389 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1n54 h VAL 390 N 0.00 0.62 -0.50 5.09 2.07 -1.45 -2.72 116.25 119.36 1n54 h VAL 390 Ca 0.80 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1n54 h VAL 390 Cb 2.53 0.98 -0.10 0.00 -1.52 0.00 0.00 31.29 33.18 1n54 h VAL 390 CO -0.46 0.14 -0.21 0.25 0.02 0.00 0.00 177.57 177.31 1n54 h LEU 391 N -0.89 -0.74 -2.12 2.57 5.85 0.35 0.88 115.31 121.20 1n54 h LEU 391 Ca -0.04 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1n54 h LEU 391 Cb 0.51 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1n54 h LEU 391 CO 0.06 -0.24 0.20 0.00 -0.34 0.00 0.00 178.44 178.12 1n54 h ALA 392 N 1.24 2.03 0.00 1.25 0.00 -1.50 0.32 119.26 122.61 1n54 h ALA 392 Ca 0.23 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 1n54 h ALA 392 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1n54 h ALA 392 CO -0.56 -0.32 -1.03 0.37 0.00 0.00 0.00 179.25 177.71 1n54 h GLN 393 N 0.00 0.01 -0.02 0.00 4.15 0.88 -2.91 115.11 117.22 1n54 h GLN 393 Ca 0.11 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.27 1n54 h GLN 393 Cb 0.51 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.22 1n54 h GLN 393 CO -0.00 1.00 -0.98 0.00 -1.93 0.00 0.00 178.83 176.91 1n54 h ALA 394 N 0.99 0.23 0.74 3.38 0.00 0.22 -2.79 119.26 122.03 1n54 h ALA 394 Ca -0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 1n54 h ALA 394 Cb 1.78 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1n54 h ALA 394 CO 0.13 0.73 -0.45 1.15 0.00 0.00 0.00 179.25 180.81 1n54 h THR 395 N 0.36 0.09 -0.79 0.00 2.02 -0.52 -1.01 112.91 113.06 1n54 h THR 395 Ca -0.11 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.20 1n54 h THR 395 Cb 1.62 0.09 -0.14 0.00 -1.74 0.00 0.00 68.15 67.99 1n54 h THR 395 CO 0.19 0.00 -0.38 -0.08 0.37 0.00 0.00 175.52 175.62 1n54 h GLU 396 N -1.12 -0.09 -0.51 6.66 4.57 -1.59 0.46 114.58 122.98 1n54 h GLU 396 Ca -0.10 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1n54 h GLU 396 Cb 0.90 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1n54 h GLU 396 CO 0.10 -0.06 0.27 0.52 -1.18 0.00 0.00 179.01 178.66 1n54 h MET 397 N -0.09 0.51 -0.97 1.92 2.86 -1.26 0.71 114.93 118.61 1n54 h MET 397 Ca 0.28 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1n54 h MET 397 Cb 0.57 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1n54 h MET 397 CO -0.83 0.34 0.64 -0.07 1.06 0.00 0.00 176.91 178.04 1n54 h LEU 398 N 0.52 1.07 0.66 1.22 3.38 0.33 -1.50 115.31 121.00 1n54 h LEU 398 Ca 0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1n54 h LEU 398 Cb 0.10 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1n54 h LEU 398 CO -0.14 0.75 -0.31 0.22 0.09 0.00 0.00 178.44 179.04 1n54 h TYR 399 N 1.25 -0.82 -1.02 1.13 3.20 -0.41 -2.84 116.97 117.46 1n54 h TYR 399 Ca 0.38 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 62.50 1n54 h TYR 399 Cb -0.05 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 1n54 h TYR 399 CO -0.01 -0.47 0.70 0.52 -1.64 0.00 0.00 178.16 177.26 1n54 h MET 400 N -1.14 0.21 -0.04 1.82 2.86 -0.56 0.29 114.93 118.36 1n54 h MET 400 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1n54 h MET 400 Cb 0.71 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1n54 h MET 400 CO 0.15 0.14 0.00 0.54 1.06 0.00 0.00 176.91 178.79 1n54 n ARG 401 N -4.42 1.84 -0.34 1.72 1.74 -0.59 -4.51 116.66 112.09 1n54 n ARG 401 Ca 0.23 -1.22 0.14 0.00 -0.77 0.00 0.00 57.85 56.23 1n54 n ARG 401 Cb 0.96 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 31.21 1n54 n ARG 401 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n54 n LEU 402 N 0.48 -0.11 -0.33 0.55 4.32 0.10 -2.60 117.00 119.41 1n54 n LEU 402 Ca 0.18 1.65 0.13 0.00 -0.02 0.00 0.00 56.01 57.94 1n54 n LEU 402 Cb 0.41 -0.60 0.27 0.00 -1.62 0.00 0.00 43.42 41.88 1n54 n LEU 402 CO 0.16 -1.67 0.81 0.44 -1.22 0.00 0.00 177.39 175.91 1n54 h ASP 403 N 0.00 -0.43 -0.26 -1.43 3.32 -1.80 0.15 116.42 115.97 1n54 h ASP 403 Ca 0.59 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.90 1n54 h ASP 403 Cb 1.21 0.45 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1n54 h ASP 403 CO -0.91 -0.31 0.00 0.35 -1.72 0.00 0.00 179.24 176.65 1n54 n THR 404 N -5.45 0.33 -2.16 0.35 -2.24 -1.07 -4.97 114.28 99.07 1n54 n THR 404 Ca 0.21 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 1n54 n THR 404 Cb 0.70 0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1n54 n THR 404 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1n54 s MET 405 N -1.67 3.77 0.06 -0.78 0.00 0.52 -2.34 119.30 118.86 1n54 s MET 405 Ca 0.35 1.92 -0.30 0.00 0.00 0.00 0.00 55.69 57.66 1n54 s MET 405 Cb 0.21 -2.50 -0.05 0.00 0.00 0.00 0.00 34.83 32.49 1n54 s MET 405 CO 0.30 -0.58 1.02 1.21 0.00 0.00 0.00 175.02 176.97 1n54 s ASN 406 N -1.15 7.35 0.25 1.11 3.84 -0.24 -4.91 114.94 121.19 1n54 s ASN 406 Ca 0.62 1.80 -0.13 0.00 0.21 0.00 0.00 52.86 55.37 1n54 s ASN 406 Cb -0.32 -2.58 0.34 0.00 -0.55 0.00 0.00 41.25 38.14 1n54 s ASN 406 CO 0.40 -0.23 1.55 0.41 -2.79 0.00 0.00 177.10 176.44 1n54 n THR 407 N 3.41 -0.48 -0.26 -5.21 -1.04 -1.26 -0.66 114.28 108.79 1n54 n THR 407 Ca 0.05 2.32 0.06 0.00 -2.04 0.00 0.00 64.05 64.44 1n54 n THR 407 Cb 0.49 -3.13 0.20 0.00 -1.82 0.00 0.00 70.33 66.07 1n54 n THR 407 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1n54 h THR 408 N 0.00 0.55 -0.45 12.58 2.02 -1.91 0.31 112.91 126.01 1n54 h THR 408 Ca 0.41 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.34 1n54 h THR 408 Cb 0.66 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1n54 h THR 408 CO -1.01 0.06 -0.25 0.00 0.37 0.00 0.00 175.52 174.70 1n54 h VAL 410 N 0.80 0.21 -0.57 0.00 2.07 0.45 0.17 116.25 119.38 1n54 h VAL 410 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 1n54 h VAL 410 Cb 0.83 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 1n54 h VAL 410 CO 0.07 0.00 -0.41 0.44 0.02 0.00 0.00 177.57 177.69 1n54 h ASP 411 N -0.56 -1.42 -0.74 0.57 5.19 -1.05 0.89 116.42 119.31 1n54 h ASP 411 Ca 0.05 0.24 0.14 0.00 -0.62 0.00 0.00 57.03 56.84 1n54 h ASP 411 Cb 0.62 0.65 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 1n54 h ASP 411 CO -0.28 -0.33 0.49 0.03 -3.12 0.00 0.00 179.24 176.04 1n54 h ARG 412 N -0.22 0.42 0.20 3.56 3.08 -1.01 0.43 114.38 120.83 1n54 h ARG 412 Ca 0.19 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1n54 h ARG 412 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1n54 h ARG 412 CO -0.68 0.28 -0.09 0.35 -1.07 0.00 0.00 179.97 178.76 1n54 h PHE 413 N 0.43 -0.24 -0.76 3.04 3.57 0.35 -0.34 116.94 122.99 1n54 h PHE 413 Ca 0.36 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.92 1n54 h PHE 413 Cb 0.79 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1n54 h PHE 413 CO -0.00 0.05 0.44 0.82 -2.23 0.00 0.00 178.31 177.38 1n54 h ILE 414 N -0.53 0.97 -0.52 1.41 2.04 0.10 -1.87 117.51 119.11 1n54 h ILE 414 Ca -0.03 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1n54 h ILE 414 Cb 0.40 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1n54 h ILE 414 CO 0.04 0.14 0.04 0.78 0.00 0.00 0.00 178.15 179.15 1n54 h ASN 415 N 0.78 0.81 0.14 1.72 -0.26 -0.02 -3.20 115.58 115.55 1n54 h ASN 415 Ca 0.34 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1n54 h ASN 415 Cb 0.23 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1n54 h ASN 415 CO -0.20 0.85 -0.07 -0.25 -1.06 0.00 0.00 177.43 176.71 1n54 h TRP 416 N 0.80 -0.17 -0.67 1.19 7.01 -0.28 -3.25 115.95 120.57 1n54 h TRP 416 Ca 0.16 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.29 1n54 h TRP 416 Cb 0.43 0.06 -0.13 0.00 -2.10 0.00 0.00 29.16 27.42 1n54 h TRP 416 CO 0.02 -0.11 -0.20 0.35 -2.79 0.00 0.00 178.44 175.72 1n54 h PHE 417 N -0.29 -0.45 -0.23 2.65 3.57 -1.53 0.33 116.94 121.00 1n54 h PHE 417 Ca -0.02 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1n54 h PHE 417 Cb 0.14 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 1n54 h PHE 417 CO 0.10 -0.31 -0.23 0.66 -2.23 0.00 0.00 178.31 176.30 1n54 h SER 418 N -0.03 -0.74 0.03 0.41 4.64 -1.72 0.61 113.55 116.75 1n54 h SER 418 Ca 0.32 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.79 1n54 h SER 418 Cb 0.51 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1n54 h SER 418 CO -0.71 -0.27 -0.12 -0.74 -0.87 0.00 0.00 176.83 174.13 1n54 h HIS 419 N -0.25 -0.30 -0.91 4.77 -0.00 -1.13 -0.34 115.15 116.98 1n54 h HIS 419 Ca 0.13 0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.69 1n54 h HIS 419 Cb 0.45 0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.88 1n54 h HIS 419 CO -0.38 -0.18 0.49 1.25 -0.00 0.00 0.00 177.93 179.12 1n54 h HIS 420 N -0.21 0.86 -0.49 5.26 6.17 0.83 -0.60 115.15 126.97 1n54 h HIS 420 Ca 0.03 0.04 -0.09 0.00 0.71 0.00 0.00 60.37 61.06 1n54 h HIS 420 Cb 0.25 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 1n54 h HIS 420 CO -0.16 0.16 -0.06 -0.07 0.71 0.00 0.00 177.93 178.51 1n54 h LEU 421 N 0.64 0.85 -2.43 0.26 3.38 0.11 -2.91 115.31 115.21 1n54 h LEU 421 Ca 0.52 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1n54 h LEU 421 Cb 0.82 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1n54 h LEU 421 CO -0.40 0.94 -0.02 0.77 0.09 0.00 0.00 178.44 179.82 1n54 h SER 422 N 0.79 0.00 0.27 -0.43 4.64 0.55 0.12 113.55 119.49 1n54 h SER 422 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1n54 h SER 422 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1n54 h SER 422 CO 0.03 0.02 -0.80 0.59 -0.87 0.00 0.00 176.83 175.80 1n54 n ASN 423 N -3.28 0.73 -2.92 4.97 3.02 -1.11 -4.43 115.26 112.24 1n54 n ASN 423 Ca -0.02 -0.56 -0.26 0.00 -0.03 0.00 0.00 54.58 53.71 1n54 n ASN 423 Cb 0.15 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 1n54 n ASN 423 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1n54 n PHE 424 N -1.57 3.54 -3.51 3.10 3.72 -0.01 -4.96 117.46 117.77 1n54 n PHE 424 Ca 0.04 -3.88 -0.21 0.00 -0.05 0.00 0.00 57.45 53.36 1n54 n PHE 424 Cb 0.35 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 1n54 n PHE 424 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1n54 n GLN 425 N -0.21 -0.92 -3.00 -1.08 3.00 -1.18 -1.01 117.38 112.98 1n54 n GLN 425 Ca 0.31 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 57.20 1n54 n GLN 425 Cb 0.45 -2.38 -0.03 0.00 0.00 0.00 0.00 30.24 28.28 1n54 n GLN 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1n54 n PHE 426 N -3.00 -1.32 -2.97 1.08 3.72 0.22 -4.85 117.46 110.35 1n54 n PHE 426 Ca -0.11 0.26 -0.43 0.00 -0.05 0.00 0.00 57.45 57.12 1n54 n PHE 426 Cb 0.37 -1.14 -0.05 0.00 -0.94 0.00 0.00 39.48 37.72 1n54 n PHE 426 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n54 s ARG 427 N -5.03 3.54 -0.12 -1.08 1.81 -0.18 -4.99 118.95 112.90 1n54 s ARG 427 Ca 0.32 0.04 -0.11 0.00 -1.72 0.00 0.00 55.73 54.26 1n54 s ARG 427 Cb -0.18 -3.89 0.03 0.00 -0.45 0.00 0.00 34.95 30.46 1n54 s ARG 427 CO 0.39 -1.00 0.32 -0.46 -0.68 0.00 0.00 175.30 173.86 1n54 s TRP 428 N 3.19 -0.36 -1.48 -0.53 -0.11 -1.26 -5.06 118.94 113.33 1n54 s TRP 428 Ca 0.30 0.86 -0.12 0.00 1.22 0.00 0.00 56.10 58.36 1n54 s TRP 428 Cb -0.13 0.12 0.02 0.00 -1.50 0.00 0.00 33.47 31.99 1n54 s TRP 428 CO 0.20 -0.18 2.40 -1.13 -4.62 0.00 0.00 176.95 173.63 1n54 n SER 429 N 3.01 5.45 -0.34 5.86 3.41 -1.26 -4.80 113.62 124.95 1n54 n SER 429 Ca -0.14 -2.81 0.21 0.00 -0.26 0.00 0.00 58.87 55.88 1n54 n SER 429 Cb 0.58 -1.60 0.43 0.00 -0.26 0.00 0.00 64.21 63.36 1n54 n SER 429 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1n54 h TRP 430 N 5.65 0.94 0.00 7.33 4.06 -1.97 -1.21 115.95 130.75 1n54 h TRP 430 Ca 0.64 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.63 1n54 h TRP 430 Cb 0.53 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1n54 h TRP 430 CO 1.56 -0.09 0.18 -0.85 -3.56 0.00 0.00 178.44 175.69 1n54 n GLU 431 N -5.00 0.00 0.21 0.49 0.00 -1.26 0.21 120.64 115.29 1n54 n GLU 431 Ca 0.30 0.32 0.11 0.00 0.00 0.00 0.00 57.16 57.88 1n54 n GLU 431 Cb 0.88 -1.68 0.15 0.00 0.00 0.00 0.00 31.44 30.79 1n54 n GLU 431 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1n54 h ASP 432 N 0.00 0.00 -0.59 -1.84 3.32 -1.63 -2.99 116.42 112.69 1n54 h ASP 432 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1n54 h ASP 432 Cb 0.37 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.72 1n54 h ASP 432 CO 0.00 0.05 0.12 0.79 -1.72 0.00 0.00 179.24 178.49 1n54 n TRP 433 N -3.10 1.87 0.76 4.55 8.01 0.57 -4.57 117.44 125.52 1n54 n TRP 433 Ca 0.04 -1.83 0.09 0.00 -1.31 0.00 0.00 57.50 54.48 1n54 n TRP 433 Cb 0.55 -0.68 0.42 0.00 -2.01 0.00 0.00 31.31 29.60 1n54 n TRP 433 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1n54 n SER 434 N -1.09 0.00 0.26 -0.99 2.88 -1.13 -2.78 113.62 110.77 1n54 n SER 434 Ca 0.43 0.20 0.15 0.00 -1.33 0.00 0.00 58.87 58.32 1n54 n SER 434 Cb 1.16 -0.36 0.59 0.00 -0.75 0.00 0.00 64.21 64.85 1n54 n SER 434 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1n54 h ASP 435 N 0.00 0.00 0.55 -3.46 2.03 -1.86 -3.21 116.42 110.47 1n54 h ASP 435 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1n54 h ASP 435 Cb 0.22 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1n54 h ASP 435 CO 0.00 0.05 -1.00 0.00 -1.03 0.00 0.00 179.24 177.26 1n54 h LEU 437 N 0.13 0.00 -3.86 0.00 3.38 -1.77 0.52 115.31 113.71 1n54 h LEU 437 Ca -0.08 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.54 1n54 h LEU 437 Cb 1.66 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 42.20 1n54 h LEU 437 CO 0.16 0.00 0.44 -1.54 0.09 0.00 0.00 178.44 177.59 1n54 n SER 438 N -3.79 4.41 -4.40 -0.43 3.41 -1.20 -4.94 113.62 106.68 1n54 n SER 438 Ca 0.14 -3.39 -0.21 0.00 -0.26 0.00 0.00 58.87 55.15 1n54 n SER 438 Cb 0.89 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 1n54 n SER 438 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1n54 s GLN 439 N -3.13 1.47 0.27 4.33 -0.21 0.18 -5.11 119.66 117.47 1n54 s GLN 439 Ca 0.56 -1.68 -0.30 0.00 0.02 0.00 0.00 55.36 53.96 1n54 s GLN 439 Cb 0.46 -1.32 -0.12 0.00 1.00 0.00 0.00 33.01 33.02 1n54 s GLN 439 CO 0.13 0.21 1.56 -3.47 -2.12 0.00 0.00 175.29 171.59 1n54 n ASP 440 N -0.49 3.59 0.02 5.90 2.03 -1.26 -4.89 116.55 121.45 1n54 n ASP 440 Ca -0.07 1.14 0.12 0.00 0.52 0.00 0.00 54.79 56.51 1n54 n ASP 440 Cb 0.61 -1.55 0.57 0.00 -0.72 0.00 0.00 41.12 40.03 1n54 n ASP 440 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1n54 h PRO 441 N 4.76 0.22 0.00 -0.67 0.11 -1.97 -0.53 132.00 133.92 1n54 h PRO 441 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n54 h PRO 441 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n54 h PRO 441 CO 0.79 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 1n54 n GLU 442 N -4.46 0.03 -2.44 1.05 1.02 -1.26 -4.17 120.64 110.41 1n54 n GLU 442 Ca 0.06 0.13 -0.38 0.00 -0.02 0.00 0.00 57.16 56.95 1n54 n GLU 442 Cb 0.34 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1n54 n GLU 442 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1n54 s SER 443 N -3.21 6.89 0.11 1.62 0.01 -0.21 -4.84 113.70 114.07 1n54 s SER 443 Ca 0.11 2.22 -0.26 0.00 1.31 0.00 0.00 55.95 59.33 1n54 s SER 443 Cb 0.15 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1n54 s SER 443 CO 0.44 -0.41 1.43 -0.65 0.41 0.00 0.00 173.24 174.46 1n54 h PRO 444 N 3.05 -0.26 -0.20 12.44 0.11 -1.88 -1.71 132.00 143.55 1n54 h PRO 444 Ca -0.48 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1n54 h PRO 444 Cb 1.22 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1n54 h PRO 444 CO 0.64 -0.17 -0.34 0.87 -0.21 0.00 0.00 178.00 178.79 1n54 h LYS 445 N -0.27 -0.26 -0.73 1.05 1.57 -1.91 0.22 116.57 116.24 1n54 h LYS 445 Ca 0.07 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1n54 h LYS 445 Cb 0.45 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1n54 h LYS 445 CO -0.51 -0.18 0.48 -1.00 -0.57 0.00 0.00 179.45 177.68 1n54 h PRO 446 N -0.27 0.97 -0.52 3.15 0.13 -1.82 -0.96 132.00 132.66 1n54 h PRO 446 Ca 0.04 -0.06 0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1n54 h PRO 446 Cb 0.37 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.26 1n54 h PRO 446 CO -0.33 0.64 0.36 -0.22 -0.23 0.00 0.00 178.00 178.22 1n54 h LYS 447 N 0.99 0.33 0.35 0.86 3.64 -0.33 -1.30 116.57 121.11 1n54 h LYS 447 Ca 0.27 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1n54 h LYS 447 Cb -0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1n54 h LYS 447 CO -0.06 0.22 -0.17 0.35 -2.27 0.00 0.00 179.45 177.52 1n54 h PHE 448 N 0.34 -0.43 -1.03 1.91 3.57 0.82 -1.73 116.94 120.38 1n54 h PHE 448 Ca 0.24 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.99 1n54 h PHE 448 Cb 0.50 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.28 1n54 h PHE 448 CO -0.00 -0.27 0.64 0.28 -2.23 0.00 0.00 178.31 176.73 1n54 h VAL 449 N -0.50 0.53 0.00 1.41 2.07 -1.35 0.27 116.25 118.67 1n54 h VAL 449 Ca -0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1n54 h VAL 449 Cb 0.36 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1n54 h VAL 449 CO 0.08 0.09 0.00 -1.14 0.02 0.00 0.00 177.57 176.61 1n54 n ARG 450 N -4.73 0.00 -0.23 1.57 0.63 -0.52 -1.07 116.66 112.30 1n54 n ARG 450 Ca 0.26 0.50 0.31 0.00 -0.92 0.00 0.00 57.85 58.01 1n54 n ARG 450 Cb 0.83 -1.48 0.73 0.00 0.45 0.00 0.00 32.46 33.00 1n54 n ARG 450 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1n54 h GLU 451 N 0.00 0.00 0.54 -0.14 4.39 -0.36 -0.23 114.58 118.78 1n54 h GLU 451 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1n54 h GLU 451 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1n54 h GLU 451 CO 0.00 0.00 -0.26 0.28 -1.16 0.00 0.00 179.01 177.87 1n54 h VAL 452 N 0.00 0.00 -0.76 3.13 2.07 -0.24 -2.69 116.25 117.76 1n54 h VAL 452 Ca 0.48 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.87 1n54 h VAL 452 Cb 1.98 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 1n54 h VAL 452 CO -0.01 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.91 1n54 h LEU 453 N -0.96 0.52 -1.11 2.57 3.38 0.16 -0.27 115.31 119.61 1n54 h LEU 453 Ca -0.07 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.17 1n54 h LEU 453 Cb 0.56 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 1n54 h LEU 453 CO 0.12 0.28 0.62 -0.08 0.09 0.00 0.00 178.44 179.47 1n54 h GLU 454 N 0.65 0.64 0.05 1.13 4.81 -1.10 0.31 114.58 121.07 1n54 h GLU 454 Ca 0.38 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.31 1n54 h GLU 454 Cb 0.42 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 29.67 1n54 h GLU 454 CO -0.28 0.42 -1.09 -0.22 -0.73 0.00 0.00 179.01 177.11 1n54 h LYS 455 N 0.66 0.52 -0.64 1.92 1.63 -0.73 -3.25 116.57 116.68 1n54 h LYS 455 Ca 0.58 -0.63 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1n54 h LYS 455 Cb 1.05 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1n54 h LYS 455 CO -0.36 1.25 0.43 0.00 -3.45 0.00 0.00 179.45 177.32 1n54 h MET 457 N 0.87 -0.02 0.00 0.00 1.85 -1.26 -0.00 114.93 116.36 1n54 h MET 457 Ca 0.24 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.33 1n54 h MET 457 Cb -0.10 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 31.93 1n54 h MET 457 CO -0.05 -0.02 -0.01 0.00 -0.40 0.00 0.00 176.91 176.43 1n54 h ARG 458 N -0.03 0.00 -0.00 0.39 3.08 -1.46 0.55 114.38 116.92 1n54 h ARG 458 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1n54 h ARG 458 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1n54 h ARG 458 CO -0.24 0.01 -0.10 1.28 -1.07 0.00 0.00 179.97 179.84 1n54 n LEU 459 N -3.61 0.58 0.00 3.04 4.77 -0.07 -4.87 117.00 116.84 1n54 n LEU 459 Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1n54 n LEU 459 Cb 0.09 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1n54 n LEU 459 CO 0.26 0.11 0.00 -1.54 -1.33 0.00 0.00 177.39 174.88 1n54 n SER 460 N -0.83 0.00 -3.81 -1.43 3.41 0.19 -5.09 113.62 106.06 1n54 n SER 460 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1n54 n SER 460 Cb 0.28 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 1n54 n SER 460 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1n54 s TYR 461 N 2.09 -0.19 0.37 7.33 1.13 -0.81 -4.89 117.35 122.38 1n54 s TYR 461 Ca 0.00 0.47 0.29 0.00 -1.41 0.00 0.00 57.07 56.41 1n54 s TYR 461 Cb 0.00 0.06 1.24 0.00 -1.10 0.00 0.00 41.96 42.17 1n54 s TYR 461 CO 0.00 -0.09 1.27 1.58 -2.51 0.00 0.00 175.55 175.79 1n54 n HIS 462 N 2.97 0.48 -0.03 -3.49 -0.00 -1.26 -1.30 115.22 112.59 1n54 n HIS 462 Ca -0.13 0.49 -0.13 0.00 -0.00 0.00 0.00 57.72 57.95 1n54 n HIS 462 Cb 0.59 -0.90 -0.09 0.00 -0.00 0.00 0.00 29.99 29.59 1n54 n HIS 462 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1n54 h GLN 463 N 0.00 0.17 -1.03 1.57 5.75 -1.97 -3.26 115.11 116.34 1n54 h GLN 463 Ca 0.72 -0.09 0.27 0.00 -0.15 0.00 0.00 58.65 59.40 1n54 h GLN 463 Cb 2.42 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 30.89 1n54 h GLN 463 CO -0.32 0.60 0.68 -0.09 -2.65 0.00 0.00 178.83 177.05 1n54 h ARG 464 N -0.26 0.32 -0.48 1.69 1.12 -1.63 -0.46 114.38 114.68 1n54 h ARG 464 Ca 0.01 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.73 1n54 h ARG 464 Cb 0.57 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1n54 h ARG 464 CO 0.02 0.21 -0.22 0.82 -3.11 0.00 0.00 179.97 177.69 1n54 h ILE 465 N 0.33 1.27 0.00 1.20 1.08 -1.64 -2.97 117.51 116.78 1n54 h ILE 465 Ca 0.57 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1n54 h ILE 465 Cb 1.56 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 36.43 1n54 h ILE 465 CO -0.24 0.48 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.54 1n54 h LEU 466 N 0.86 0.00 0.00 1.44 3.38 -1.14 -2.58 115.31 117.27 1n54 h LEU 466 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1n54 h LEU 466 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1n54 h LEU 466 CO 0.07 0.10 -0.74 0.44 0.09 0.00 0.00 178.44 178.40 1n54 h ASP 467 N 0.00 0.00 0.78 -0.43 3.32 -1.46 -3.35 116.42 115.27 1n54 h ASP 467 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n54 h ASP 467 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1n54 h ASP 467 CO 0.01 0.07 -0.94 2.30 -1.72 0.00 0.00 179.24 178.96 1n54 n ILE 468 N -2.84 0.40 -3.95 0.35 -5.35 -0.99 -4.93 119.36 102.05 1n54 n ILE 468 Ca 0.00 -0.39 -0.23 0.00 -0.27 0.00 0.00 62.75 61.87 1n54 n ILE 468 Cb 0.57 -0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 1n54 n ILE 468 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1n54 s VAL 469 N -3.27 5.28 0.68 7.28 -7.23 -1.08 -4.91 120.40 117.15 1n54 s VAL 469 Ca 0.02 -0.87 -0.13 0.00 -1.81 0.00 0.00 61.98 59.19 1n54 s VAL 469 Cb 0.12 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.25 1n54 s VAL 469 CO 0.78 -0.25 1.07 -2.84 -0.31 0.00 0.00 175.10 173.55 1n54 s PRO 470 N -3.72 2.84 0.24 4.82 0.02 -1.26 -4.94 135.00 133.00 1n54 s PRO 470 Ca 0.34 1.13 -0.04 0.00 0.02 0.00 0.00 61.00 62.45 1n54 s PRO 470 Cb -0.10 -1.97 0.40 0.00 0.02 0.00 0.00 34.50 32.85 1n54 s PRO 470 CO 0.29 -1.18 1.79 -1.35 -0.33 0.00 0.00 177.00 176.22 1n54 h PRO 471 N -0.43 0.67 0.00 5.54 0.11 -1.99 -1.79 132.00 134.12 1n54 h PRO 471 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n54 h PRO 471 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n54 h PRO 471 CO 0.55 0.45 0.00 0.25 -0.21 0.00 0.00 178.00 179.04 1n54 n THR 472 N -4.81 0.95 1.08 -1.15 -2.24 -1.26 -2.41 114.28 104.44 1n54 n THR 472 Ca 0.13 0.29 0.12 0.00 -2.27 0.00 0.00 64.05 62.32 1n54 n THR 472 Cb 0.31 -1.19 0.15 0.00 -2.10 0.00 0.00 70.33 67.50 1n54 n THR 472 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n54 n PHE 473 N -2.01 0.00 -0.27 4.78 3.01 -0.68 -4.30 117.46 117.99 1n54 n PHE 473 Ca 0.02 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.80 1n54 n PHE 473 Cb 0.18 -0.09 0.72 0.00 -0.01 0.00 0.00 39.48 40.28 1n54 n PHE 473 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n54 h SER 474 N 1.03 0.04 -0.44 4.37 0.87 -1.44 -1.51 113.55 116.48 1n54 h SER 474 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1n54 h SER 474 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1n54 h SER 474 CO 0.00 0.01 0.23 0.00 -0.53 0.00 0.00 176.83 176.54 1n54 h ALA 475 N 1.48 0.56 -0.02 6.23 0.00 -1.82 -2.22 119.26 123.47 1n54 h ALA 475 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1n54 h ALA 475 Cb 2.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1n54 h ALA 475 CO -0.03 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1n54 n LEU 476 N -4.69 0.14 -4.78 0.00 4.77 -0.58 -4.89 117.00 106.97 1n54 n LEU 476 Ca 0.01 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.61 1n54 n LEU 476 Cb 0.09 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1n54 n LEU 476 CO 0.36 0.03 0.72 0.00 -1.33 0.00 0.00 177.39 177.17 1n54 s PRO 478 N -4.57 3.14 0.86 0.00 0.02 -1.26 -5.02 135.00 128.17 1n54 s PRO 478 Ca 0.63 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 1n54 s PRO 478 Cb -0.17 -2.21 0.11 0.00 0.02 0.00 0.00 34.50 32.24 1n54 s PRO 478 CO 0.49 -1.16 1.10 0.00 -0.33 0.00 0.00 177.00 177.09 1n54 s ALA 479 N -1.35 1.84 0.21 -1.55 0.00 -1.26 -5.01 121.76 114.64 1n54 s ALA 479 Ca 0.72 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1n54 s ALA 479 Cb -0.38 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1n54 s ALA 479 CO 0.45 -2.09 0.58 1.21 0.00 0.00 0.00 175.76 175.90 1n54 s ASN 480 N -3.66 6.73 0.00 0.00 2.47 -1.26 -4.95 114.94 114.27 1n54 s ASN 480 Ca 0.62 1.04 -0.00 0.00 0.42 0.00 0.00 52.86 54.94 1n54 s ASN 480 Cb -0.16 -2.27 -0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1n54 s ASN 480 CO 0.56 -0.03 0.59 -2.65 -3.72 0.00 0.00 177.10 171.84 1n54 n PRO 481 N 0.18 0.29 -2.50 0.43 -0.02 -1.21 -4.69 135.00 127.48 1n54 n PRO 481 Ca -0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 1n54 n PRO 481 Cb 0.52 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.60 1n54 n PRO 481 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1n54 s THR 482 N 1.52 4.35 0.49 3.45 -4.23 -1.26 -4.86 115.64 115.11 1n54 s THR 482 Ca 0.01 1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 61.98 1n54 s THR 482 Cb 0.00 -4.07 -0.07 0.00 1.34 0.00 0.00 72.50 69.70 1n54 s THR 482 CO 0.00 -0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.16 1n54 s ILE 484 N -1.82 3.24 -0.57 0.00 1.01 -0.32 -5.05 121.20 117.70 1n54 s ILE 484 Ca 0.68 -2.27 -0.19 0.00 0.00 0.00 0.00 60.65 58.87 1n54 s ILE 484 Cb -0.21 -3.22 0.09 0.00 0.01 0.00 0.00 42.46 39.13 1n54 s ILE 484 CO 0.25 -0.72 0.68 -0.47 0.00 0.00 0.00 174.94 174.68 1n54 s TYR 485 N 0.89 3.02 0.27 3.97 6.04 -1.26 -4.43 117.35 125.84 1n54 s TYR 485 Ca 0.10 -0.85 -0.01 0.00 0.04 0.00 0.00 57.07 56.35 1n54 s TYR 485 Cb -0.22 -3.87 0.48 0.00 -1.04 0.00 0.00 41.96 37.31 1n54 s TYR 485 CO -0.04 -1.22 1.84 -0.22 -1.54 0.00 0.00 175.55 174.37 1n54 h LYS 486 N 9.13 0.95 -2.15 4.97 3.64 -1.94 -2.92 116.57 128.25 1n54 h LYS 486 Ca -0.29 -0.06 -0.69 0.00 -1.27 0.00 0.00 60.65 58.34 1n54 h LYS 486 Cb 1.09 -0.21 -0.35 0.00 -0.41 0.00 0.00 32.23 32.35 1n54 h LYS 486 CO 1.06 0.63 0.18 0.66 -2.27 0.00 0.00 179.45 179.70 1n54 n TYR 487 N -4.63 3.38 0.00 1.91 0.53 -1.26 -4.71 117.16 112.37 1n54 n TYR 487 Ca 0.17 -3.16 0.00 0.00 -1.02 0.00 0.00 57.90 53.89 1n54 n TYR 487 Cb 0.30 -0.79 0.00 0.00 -1.03 0.00 0.00 39.34 37.82 1n54 n TYR 487 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n54 n GLY 488 N -0.24 0.63 0.86 2.72 0.00 -1.10 -4.84 105.19 103.22 1n54 n GLY 488 Ca 0.41 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.51 1n54 n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n54 n ASP 489 N 0.00 2.50 -4.70 1.61 8.00 -1.26 -4.90 116.55 117.79 1n54 n ASP 489 Ca 0.00 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 1n54 n ASP 489 Cb 0.00 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1n54 n ASP 489 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n54 s GLU 490 N -1.42 4.17 0.00 -1.24 2.56 -1.26 -4.86 118.70 116.65 1n54 s GLU 490 Ca 0.32 2.47 0.18 0.00 0.00 0.00 0.00 54.97 57.94 1n54 s GLU 490 Cb 0.17 -3.44 0.70 0.00 2.00 0.00 0.00 34.13 33.56 1n54 s GLU 490 CO 0.23 -0.75 1.51 0.43 -0.56 0.00 0.00 175.26 176.11 1n54 n SER 491 N 5.11 1.45 -4.50 -1.70 7.64 -1.26 -4.60 113.62 115.75 1n54 n SER 491 Ca 0.16 -1.73 -0.43 0.00 1.01 0.00 0.00 58.87 57.89 1n54 n SER 491 Cb 0.39 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1n54 n SER 491 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n54 s SER 492 N -1.46 6.66 0.03 6.43 0.01 -1.26 -4.71 113.70 119.40 1n54 s SER 492 Ca 0.29 -2.00 0.25 0.00 1.31 0.00 0.00 55.95 55.81 1n54 s SER 492 Cb 0.16 -2.48 0.58 0.00 0.21 0.00 0.00 66.02 64.49 1n54 s SER 492 CO 0.23 -1.19 1.47 0.59 0.41 0.00 0.00 173.24 174.75 1n54 n ASN 493 N 7.46 0.47 0.00 2.44 3.02 -1.26 -3.88 115.26 123.51 1n54 n ASN 493 Ca 0.31 -0.06 0.05 0.00 -0.03 0.00 0.00 54.58 54.86 1n54 n ASN 493 Cb 0.49 0.11 0.29 0.00 -0.61 0.00 0.00 39.78 40.06 1n54 n ASN 493 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n54 n SER 494 N -1.63 0.00 -4.66 6.41 3.41 -1.26 -4.67 113.62 111.22 1n54 n SER 494 Ca 0.05 -0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 57.93 1n54 n SER 494 Cb 0.36 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1n54 n SER 494 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n54 s LEU 495 N -1.94 4.14 0.73 1.04 1.43 -1.25 -5.07 118.68 117.76 1n54 s LEU 495 Ca 0.15 0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 53.66 1n54 s LEU 495 Cb 0.07 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1n54 s LEU 495 CO 0.11 -0.14 0.49 -2.65 0.23 0.00 0.00 176.35 174.39 1n54 n PRO 496 N 4.70 0.27 -1.56 1.29 -0.02 -1.26 -2.56 135.00 135.86 1n54 n PRO 496 Ca -0.06 0.13 -0.16 0.00 -2.02 0.00 0.00 63.50 61.38 1n54 n PRO 496 Cb 0.51 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 1n54 n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n54 n GLY 497 N 1.69 1.39 0.25 -1.23 0.00 -1.26 -4.84 105.19 101.18 1n54 n GLY 497 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1n54 n GLY 497 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1n54 h HIS 498 N 0.00 0.73 0.03 1.61 2.76 -1.82 -2.90 115.15 115.56 1n54 h HIS 498 Ca -0.34 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 57.62 1n54 h HIS 498 Cb 1.09 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 1n54 h HIS 498 CO 0.48 0.43 -0.99 0.77 -1.30 0.00 0.00 177.93 177.32 1n54 h SER 499 N 0.77 0.38 -0.77 3.26 0.02 -1.88 -3.05 113.55 112.28 1n54 h SER 499 Ca 0.24 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1n54 h SER 499 Cb -0.01 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.34 1n54 h SER 499 CO -0.09 1.16 0.42 0.58 -1.14 0.00 0.00 176.83 177.77 1n54 h VAL 500 N 0.14 0.89 -0.52 2.27 2.07 -1.88 0.25 116.25 119.48 1n54 h VAL 500 Ca -0.08 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1n54 h VAL 500 Cb 1.65 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1n54 h VAL 500 CO 0.16 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 1n54 h ALA 501 N 1.44 0.70 -0.24 1.67 0.00 -1.54 -0.08 119.26 121.21 1n54 h ALA 501 Ca 0.37 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1n54 h ALA 501 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n54 h ALA 501 CO -0.25 0.58 -0.15 -0.07 0.00 0.00 0.00 179.25 179.36 1n54 h LEU 502 N 0.82 0.40 -0.06 0.00 3.38 -1.14 0.87 115.31 119.57 1n54 h LEU 502 Ca 0.14 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1n54 h LEU 502 Cb 0.62 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.28 1n54 h LEU 502 CO 0.04 0.57 -0.99 0.00 0.09 0.00 0.00 178.44 178.15 1n54 h LEU 504 N 0.37 0.73 -0.49 0.00 3.38 -0.67 -1.03 115.31 117.61 1n54 h LEU 504 Ca -0.11 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.64 1n54 h LEU 504 Cb 1.64 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 1n54 h LEU 504 CO 0.19 0.84 -0.49 0.00 0.09 0.00 0.00 178.44 179.06 1n54 h ALA 505 N 0.92 -0.55 -0.02 1.53 0.00 0.84 0.30 119.26 122.28 1n54 h ALA 505 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1n54 h ALA 505 Cb 0.44 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1n54 h ALA 505 CO 0.02 -0.94 -0.26 0.28 0.00 0.00 0.00 179.25 178.35 1n54 h VAL 506 N -0.31 1.20 -0.14 0.00 2.07 -1.36 -2.65 116.25 115.06 1n54 h VAL 506 Ca 0.13 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1n54 h VAL 506 Cb 0.58 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1n54 h VAL 506 CO -0.64 0.27 0.08 0.00 0.02 0.00 0.00 177.57 177.30 1n54 h ALA 507 N 1.71 0.18 -0.63 1.67 0.00 0.82 -0.81 119.26 122.20 1n54 h ALA 507 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1n54 h ALA 507 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1n54 h ALA 507 CO 0.03 -0.29 0.21 0.74 0.00 0.00 0.00 179.25 179.94 1n54 h PHE 508 N 0.14 1.00 0.00 0.00 0.05 -0.56 -1.04 116.94 116.52 1n54 h PHE 508 Ca 0.05 -0.10 -0.05 0.00 3.82 0.00 0.00 57.97 61.69 1n54 h PHE 508 Cb 0.06 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.71 1n54 h PHE 508 CO -0.05 0.81 -0.24 0.87 -0.18 0.00 0.00 178.31 179.52 1n54 h LYS 509 N 0.89 0.00 -0.03 1.51 1.57 -1.23 -2.59 116.57 116.69 1n54 h LYS 509 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1n54 h LYS 509 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1n54 h LYS 509 CO -0.01 0.24 0.00 0.45 -0.57 0.00 0.00 179.45 179.57 1n54 n SER 510 N -4.08 1.27 -0.81 0.86 2.88 -0.33 -4.93 113.62 108.48 1n54 n SER 510 Ca -0.02 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.07 1n54 n SER 510 Cb 0.31 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1n54 n SER 510 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1n54 n LYS 511 N -0.00 0.00 -2.49 -1.46 4.76 -0.97 -5.06 118.16 112.94 1n54 n LYS 511 Ca 0.19 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.29 1n54 n LYS 511 Cb 0.31 -2.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.09 1n54 n LYS 511 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n54 s ALA 512 N -2.92 2.86 0.49 7.82 0.00 -0.42 -5.04 121.76 124.55 1n54 s ALA 512 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.70 1n54 s ALA 512 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1n54 s ALA 512 CO 0.00 -0.39 0.61 0.95 0.00 0.00 0.00 175.76 176.93 1n54 s THR 513 N -1.91 2.46 0.15 0.00 -4.23 -1.26 -4.89 115.64 105.96 1n54 s THR 513 Ca 0.67 -1.10 -0.22 0.00 -1.18 0.00 0.00 61.69 59.86 1n54 s THR 513 Cb -0.18 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1n54 s THR 513 CO 0.22 0.00 1.63 0.78 -0.54 0.00 0.00 174.62 176.71 1n54 h ASN 514 N 0.52 -0.78 -0.20 3.99 4.21 -1.98 0.58 115.58 121.93 1n54 h ASN 514 Ca -0.36 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.30 1n54 h ASN 514 Cb 1.28 0.38 -0.01 0.00 -1.12 0.00 0.00 38.32 38.85 1n54 h ASN 514 CO 0.46 -0.27 0.13 0.44 -1.29 0.00 0.00 177.43 176.90 1n54 h ASP 515 N -0.23 0.24 1.40 5.81 3.32 -1.99 0.43 116.42 125.41 1n54 h ASP 515 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1n54 h ASP 515 Cb 0.46 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1n54 h ASP 515 CO -0.41 0.19 0.00 -0.33 -1.72 0.00 0.00 179.24 176.96 1n54 h GLU 516 N 0.28 0.00 0.01 3.56 5.08 -1.58 -2.67 114.58 119.26 1n54 h GLU 516 Ca 0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.11 1n54 h GLU 516 Cb -0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1n54 h GLU 516 CO -0.01 0.00 -1.98 -0.89 -1.00 0.00 0.00 179.01 175.13 1n54 n ILE 517 N -2.46 1.55 -0.18 3.13 2.08 0.58 -3.95 119.36 120.10 1n54 n ILE 517 Ca 0.04 -0.80 -0.09 0.00 0.56 0.00 0.00 62.75 62.46 1n54 n ILE 517 Cb 0.40 -0.91 0.01 0.00 -0.75 0.00 0.00 39.64 38.39 1n54 n ILE 517 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1n54 h PHE 518 N 0.00 0.96 -0.09 1.39 0.04 -0.22 -2.57 116.94 116.45 1n54 h PHE 518 Ca -0.39 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 60.26 1n54 h PHE 518 Cb 2.09 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 39.92 1n54 h PHE 518 CO 0.01 0.88 -0.39 1.03 -0.60 0.00 0.00 178.31 179.24 1n54 h SER 519 N 0.77 -1.22 -0.87 2.17 0.87 -1.64 0.42 113.55 114.06 1n54 h SER 519 Ca 0.15 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 1n54 h SER 519 Cb 0.47 0.50 -0.06 0.00 -0.44 0.00 0.00 62.40 62.87 1n54 h SER 519 CO 0.02 -0.42 0.55 0.40 -0.53 0.00 0.00 176.83 176.85 1n54 h ILE 520 N -0.49 1.10 0.00 2.23 1.08 -1.67 -2.24 117.51 117.52 1n54 h ILE 520 Ca 0.07 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 1n54 h ILE 520 Cb 0.61 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1n54 h ILE 520 CO -0.36 0.19 -0.32 -0.07 -0.69 0.00 0.00 178.15 176.90 1n54 h LEU 521 N 1.05 0.00 -2.05 1.44 3.38 -0.93 -2.90 115.31 115.30 1n54 h LEU 521 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1n54 h LEU 521 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1n54 h LEU 521 CO -0.14 0.32 -0.04 0.11 0.09 0.00 0.00 178.44 178.78 1n54 h LYS 522 N 0.00 0.00 -2.86 1.13 1.57 0.46 -3.07 116.57 113.79 1n54 h LYS 522 Ca -0.00 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.02 1n54 h LYS 522 Cb 0.76 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.91 1n54 h LYS 522 CO 0.04 0.04 2.05 -3.47 -0.57 0.00 0.00 179.45 177.54 1n54 n ASP 523 N -4.28 6.98 -3.85 0.86 -0.08 -1.10 -4.92 116.55 110.17 1n54 n ASP 523 Ca -0.03 -3.21 -0.14 0.00 -1.51 0.00 0.00 54.79 49.90 1n54 n ASP 523 Cb 0.12 -1.37 -0.15 0.00 2.34 0.00 0.00 41.12 42.06 1n54 n ASP 523 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1n54 s VAL 524 N -1.13 0.08 0.59 5.18 1.01 -1.16 -4.94 120.40 120.02 1n54 s VAL 524 Ca 0.47 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1n54 s VAL 524 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.40 1n54 s VAL 524 CO -0.05 0.07 0.92 -2.16 0.00 0.00 0.00 175.10 173.87 1n54 s PRO 525 N 0.43 3.08 0.00 2.72 0.04 -1.26 -4.99 135.00 135.03 1n54 s PRO 525 Ca -0.04 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1n54 s PRO 525 Cb -0.06 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1n54 s PRO 525 CO -0.01 -0.65 0.00 -1.71 0.04 0.00 0.00 177.00 174.67 1n54 n ASN 526 N -2.60 0.43 0.00 6.66 2.85 -1.26 -4.62 115.26 116.72 1n54 n ASN 526 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1n54 n ASN 526 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1n54 n ASN 526 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1n54 n PHE 539 N 0.00 0.00 -3.81 1.20 7.35 -1.26 -4.92 117.46 116.02 1n54 n PHE 539 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1n54 n PHE 539 Cb 0.00 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.67 1n54 n PHE 539 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1n54 s ASN 540 N 0.00 3.43 0.21 -2.13 0.01 -1.26 -5.02 114.94 110.18 1n54 s ASN 540 Ca 0.00 -1.09 -0.09 0.00 -0.71 0.00 0.00 52.86 50.97 1n54 s ASN 540 Cb 0.00 -0.85 0.31 0.00 0.41 0.00 0.00 41.25 41.12 1n54 s ASN 540 CO 0.00 -0.30 1.73 -0.65 -1.51 0.00 0.00 177.10 176.37 1n54 h PRO 541 N 8.11 0.36 0.03 -0.60 0.11 -1.92 -2.87 132.00 135.22 1n54 h PRO 541 Ca -0.16 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.68 1n54 h PRO 541 Cb 1.09 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.14 1n54 h PRO 541 CO 0.39 0.24 -0.99 1.25 -0.21 0.00 0.00 178.00 178.67 1n54 h LEU 542 N 0.37 0.83 -1.87 2.35 5.85 -1.91 -2.91 115.31 118.02 1n54 h LEU 542 Ca 0.33 -0.76 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1n54 h LEU 542 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1n54 h LEU 542 CO -0.35 1.49 0.13 0.50 -0.34 0.00 0.00 178.44 179.87 1n54 h LYS 543 N 0.26 0.17 0.27 1.25 3.64 -1.78 -1.91 116.57 118.47 1n54 h LYS 543 Ca -0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1n54 h LYS 543 Cb 1.67 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 1n54 h LYS 543 CO 0.19 0.11 -0.13 0.82 -2.27 0.00 0.00 179.45 178.18 1n54 h ILE 544 N 0.18 0.16 -0.88 2.00 2.04 -1.57 -3.19 117.51 116.24 1n54 h ILE 544 Ca 0.08 -0.80 0.17 0.00 1.00 0.00 0.00 64.86 65.31 1n54 h ILE 544 Cb 0.09 0.27 -0.16 0.00 -0.74 0.00 0.00 36.82 36.28 1n54 h ILE 544 CO -0.01 0.04 -0.26 -0.08 0.00 0.00 0.00 178.15 177.84 1n54 h GLU 545 N -1.07 -0.01 0.00 2.37 4.81 -1.26 0.64 114.58 120.05 1n54 h GLU 545 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1n54 h GLU 545 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1n54 h GLU 545 CO 0.06 -0.01 0.00 1.33 -0.73 0.00 0.00 179.01 179.66 1n54 n VAL 546 N -5.55 0.93 -0.08 0.32 0.24 -0.75 -2.44 118.33 111.01 1n54 n VAL 546 Ca 0.12 0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 62.59 1n54 n VAL 546 Cb 0.43 -1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 1n54 n VAL 546 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1n54 n PHE 547 N -1.83 0.90 0.22 6.34 7.35 0.21 -3.74 117.46 126.92 1n54 n PHE 547 Ca 0.03 0.39 -0.16 0.00 -0.76 0.00 0.00 57.45 56.95 1n54 n PHE 547 Cb 0.19 -0.82 -0.08 0.00 0.35 0.00 0.00 39.48 39.13 1n54 n PHE 547 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1n54 h VAL 548 N -1.00 0.21 -0.71 -2.13 2.07 -1.40 -1.12 116.25 112.18 1n54 h VAL 548 Ca -0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1n54 h VAL 548 Cb 0.67 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 30.52 1n54 h VAL 548 CO -0.04 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.88 1n54 h GLN 549 N -0.76 -0.04 -0.48 1.57 1.08 -1.71 0.21 115.11 114.97 1n54 h GLN 549 Ca -0.02 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1n54 h GLN 549 Cb 0.70 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 1n54 h GLN 549 CO -0.09 -0.03 -0.07 1.15 -0.95 0.00 0.00 178.83 178.84 1n54 h THR 550 N -0.04 1.27 -0.05 -0.54 2.02 -1.54 -2.52 112.91 111.51 1n54 h THR 550 Ca 0.32 -1.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.15 1n54 h THR 550 Cb 0.54 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1n54 h THR 550 CO -0.75 0.41 -0.72 0.25 0.37 0.00 0.00 175.52 175.08 1n54 h LEU 551 N 0.75 0.32 -0.87 2.58 5.85 -0.73 -3.09 115.31 120.12 1n54 h LEU 551 Ca 0.13 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1n54 h LEU 551 Cb 0.61 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1n54 h LEU 551 CO 0.04 0.94 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.73 1n54 h LEU 552 N 0.18 0.00 -0.21 2.25 3.38 -0.95 -2.48 115.31 117.48 1n54 h LEU 552 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1n54 h LEU 552 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 1n54 h LEU 552 CO 0.11 0.28 -0.74 -0.74 0.09 0.00 0.00 178.44 177.44 1n54 h HIS 553 N 0.00 1.03 0.00 1.13 2.76 -1.37 0.67 115.15 119.37 1n54 h HIS 553 Ca -0.00 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1n54 h HIS 553 Cb 0.88 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1n54 h HIS 553 CO 0.00 1.27 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.60 1n54 h LEU 554 N 0.54 0.00 -3.05 0.26 3.38 -1.53 -3.16 115.31 111.75 1n54 h LEU 554 Ca -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1n54 h LEU 554 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1n54 h LEU 554 CO 0.15 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1n54 n ALA 555 N -1.84 2.58 0.22 1.53 0.00 -0.94 -4.56 120.51 117.49 1n54 n ALA 555 Ca 0.04 -1.63 0.10 0.00 0.00 0.00 0.00 53.44 51.95 1n54 n ALA 555 Cb 0.45 -0.60 0.37 0.00 0.00 0.00 0.00 19.45 19.67 1n54 n ALA 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n54 h ALA 556 N 2.14 0.95 -0.14 0.00 0.00 -0.82 -2.88 119.26 118.51 1n54 h ALA 556 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1n54 h ALA 556 Cb 1.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1n54 h ALA 556 CO 0.11 0.25 -0.36 -0.22 0.00 0.00 0.00 179.25 179.03 1n54 h LYS 557 N 0.00 -0.41 -4.96 0.00 1.63 -1.82 -3.46 116.57 107.56 1n54 h LYS 557 Ca -0.00 0.03 -0.49 0.00 -0.85 0.00 0.00 60.65 59.34 1n54 h LYS 557 Cb 0.86 0.09 -0.13 0.00 -0.60 0.00 0.00 32.23 32.45 1n54 h LYS 557 CO 0.03 -0.27 -0.53 -1.54 -3.45 0.00 0.00 179.45 173.69 1n54 s SER 558 N -4.91 2.11 0.27 4.20 1.04 -1.26 -5.03 113.70 110.11 1n54 s SER 558 Ca -0.15 -1.65 0.14 0.00 0.48 0.00 0.00 55.95 54.77 1n54 s SER 558 Cb 0.10 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1n54 s SER 558 CO 0.65 -0.94 1.43 -0.26 0.98 0.00 0.00 173.24 175.10 1n54 h PHE 559 N 2.02 0.00 -0.29 5.02 -1.00 -1.88 -3.13 116.94 117.68 1n54 h PHE 559 Ca -0.33 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.41 1n54 h PHE 559 Cb 1.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 1n54 h PHE 559 CO 1.37 0.54 0.01 1.03 -1.61 0.00 0.00 178.31 179.65 1n54 h SER 560 N 0.00 0.49 0.47 2.17 0.87 -1.96 -2.87 113.55 112.72 1n54 h SER 560 Ca -0.01 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1n54 h SER 560 Cb 1.42 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1n54 h SER 560 CO 0.07 0.66 -0.23 0.45 -0.53 0.00 0.00 176.83 177.26 1n54 h HIS 561 N 0.29 -0.58 -0.99 2.24 3.86 -1.82 -2.83 115.15 115.32 1n54 h HIS 561 Ca 0.08 -0.01 0.30 0.00 -1.16 0.00 0.00 60.37 59.58 1n54 h HIS 561 Cb 0.41 0.19 -0.14 0.00 1.06 0.00 0.00 27.41 28.93 1n54 h HIS 561 CO 0.03 -0.26 0.55 0.77 0.86 0.00 0.00 177.93 179.88 1n54 h SER 562 N -0.90 0.52 0.12 2.45 0.02 -1.44 0.18 113.55 114.49 1n54 h SER 562 Ca -0.06 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1n54 h SER 562 Cb 0.58 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1n54 h SER 562 CO 0.11 -0.08 -0.06 -0.26 -1.14 0.00 0.00 176.83 175.40 1n54 h PHE 563 N 0.38 -0.15 -1.15 3.45 0.05 -1.48 -1.79 116.94 116.25 1n54 h PHE 563 Ca 0.70 -0.00 0.32 0.00 3.82 0.00 0.00 57.97 62.81 1n54 h PHE 563 Cb 1.52 0.05 -0.09 0.00 2.00 0.00 0.00 35.95 39.43 1n54 h PHE 563 CO -0.03 -0.09 0.77 0.66 -0.18 0.00 0.00 178.31 179.44 1n54 h SER 564 N -0.27 0.29 0.23 2.17 4.64 -1.24 0.56 113.55 119.93 1n54 h SER 564 Ca -0.02 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1n54 h SER 564 Cb 0.12 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1n54 h SER 564 CO 0.03 0.01 -0.11 0.00 -0.87 0.00 0.00 176.83 175.89 1n54 h ALA 565 N 1.55 -0.30 -0.75 5.18 0.00 -0.65 0.38 119.26 124.67 1n54 h ALA 565 Ca 0.64 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.56 1n54 h ALA 565 Cb 1.95 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.81 1n54 h ALA 565 CO -0.25 -0.60 0.49 -0.07 0.00 0.00 0.00 179.25 178.83 1n54 h LEU 566 N -0.45 0.46 -0.04 0.00 3.38 0.92 -2.14 115.31 117.44 1n54 h LEU 566 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1n54 h LEU 566 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n54 h LEU 566 CO 0.05 0.25 -0.06 0.00 0.09 0.00 0.00 178.44 178.77 1n54 h ALA 567 N 1.64 0.06 0.95 1.53 0.00 -0.28 -2.07 119.26 121.09 1n54 h ALA 567 Ca 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n54 h ALA 567 Cb 0.71 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1n54 h ALA 567 CO -0.12 -0.11 -0.46 -0.22 0.00 0.00 0.00 179.25 178.34 1n54 h LYS 568 N -0.41 -1.23 -0.96 0.00 3.64 0.30 -2.67 116.57 115.25 1n54 h LYS 568 Ca 0.00 0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1n54 h LYS 568 Cb 0.63 0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 1n54 h LYS 568 CO 0.01 -0.82 0.10 1.19 -2.27 0.00 0.00 179.45 177.67 1n54 n PHE 569 N -5.47 0.69 -0.27 1.91 3.01 -0.86 -4.31 117.46 112.16 1n54 n PHE 569 Ca -0.16 -0.59 0.05 0.00 1.01 0.00 0.00 57.45 57.75 1n54 n PHE 569 Cb 0.50 -0.34 0.19 0.00 -0.01 0.00 0.00 39.48 39.81 1n54 n PHE 569 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1n54 h HIS 570 N 0.55 0.68 -0.21 1.38 -0.00 -1.00 -0.40 115.15 116.16 1n54 h HIS 570 Ca 0.10 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1n54 h HIS 570 Cb 1.25 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.47 1n54 h HIS 570 CO 0.36 0.19 0.12 1.49 -0.00 0.00 0.00 177.93 180.09 1n54 h GLU 571 N 0.60 0.28 -0.16 5.26 4.81 -1.82 0.37 114.58 123.91 1n54 h GLU 571 Ca 0.41 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1n54 h GLU 571 Cb 0.54 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1n54 h GLU 571 CO -0.33 0.20 -0.27 0.28 -0.73 0.00 0.00 179.01 178.15 1n54 h VAL 572 N 0.28 1.35 0.56 0.32 2.07 -1.43 -2.20 116.25 117.20 1n54 h VAL 572 Ca 0.08 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1n54 h VAL 572 Cb -0.00 1.94 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1n54 h VAL 572 CO -0.01 0.45 -0.27 -0.26 0.02 0.00 0.00 177.57 177.50 1n54 h PHE 573 N 0.10 -0.69 -0.02 1.57 0.05 -0.76 0.86 116.94 118.04 1n54 h PHE 573 Ca 0.01 -0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.79 1n54 h PHE 573 Cb 0.85 0.23 -0.00 0.00 2.00 0.00 0.00 35.95 39.03 1n54 h PHE 573 CO 0.09 -0.43 0.06 0.87 -0.18 0.00 0.00 178.31 178.73 1n54 h LYS 574 N -0.76 0.00 0.10 1.51 1.79 -1.01 0.11 116.57 118.31 1n54 h LYS 574 Ca -0.08 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.15 1n54 h LYS 574 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1n54 h LYS 574 CO 0.13 0.00 -1.24 0.00 -1.08 0.00 0.00 179.45 177.26 1n54 h THR 575 N 0.00 1.13 0.21 -0.16 1.03 -0.85 -3.36 112.91 110.91 1n54 h THR 575 Ca 0.01 -2.40 -0.01 0.00 -0.01 0.00 0.00 66.41 64.00 1n54 h THR 575 Cb 0.13 2.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1n54 h THR 575 CO -0.00 0.67 -0.10 -0.07 -0.01 0.00 0.00 175.52 176.01 1n54 h LEU 576 N -0.41 -0.24 -7.36 0.00 3.38 -0.23 -3.34 115.31 107.11 1n54 h LEU 576 Ca -0.27 -0.11 -0.79 0.00 0.09 0.00 0.00 57.88 56.81 1n54 h LEU 576 Cb 1.66 0.06 -0.25 0.00 0.09 0.00 0.00 40.66 42.23 1n54 h LEU 576 CO 0.05 -0.04 0.85 0.00 0.09 0.00 0.00 178.44 179.39 1n54 n ALA 577 N -2.30 4.46 0.67 1.53 0.00 0.31 -4.64 120.51 120.54 1n54 n ALA 577 Ca -0.09 -4.58 0.08 0.00 0.00 0.00 0.00 53.44 48.85 1n54 n ALA 577 Cb 0.19 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 17.05 1n54 n ALA 577 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n54 n GLU 578 N 3.12 1.54 -4.45 0.00 2.13 -1.25 -4.69 120.64 117.04 1n54 n GLU 578 Ca 0.29 -1.04 -0.25 0.00 0.66 0.00 0.00 57.16 56.82 1n54 n GLU 578 Cb 0.38 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.72 1n54 n GLU 578 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1n54 s SER 579 N -1.63 3.61 0.36 4.31 1.04 -1.26 -5.03 113.70 115.09 1n54 s SER 579 Ca 0.15 -0.97 0.11 0.00 0.48 0.00 0.00 55.95 55.71 1n54 s SER 579 Cb 0.13 -0.32 0.67 0.00 0.10 0.00 0.00 66.02 66.59 1n54 s SER 579 CO 0.31 0.06 1.81 0.44 0.98 0.00 0.00 173.24 176.84 1n54 h ASP 580 N 2.45 0.10 -0.36 7.02 3.32 -1.98 0.45 116.42 127.41 1n54 h ASP 580 Ca -0.42 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 1n54 h ASP 580 Cb 1.25 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1n54 h ASP 580 CO 0.58 0.44 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.06 1n54 h GLU 581 N 0.09 0.82 -0.15 3.56 5.08 -1.99 -1.72 114.58 120.26 1n54 h GLU 581 Ca 0.01 -0.29 -0.22 0.00 -1.00 0.00 0.00 59.36 57.85 1n54 h GLU 581 Cb 0.65 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1n54 h GLU 581 CO 0.05 0.91 -0.77 0.78 -1.00 0.00 0.00 179.01 178.98 1n54 h GLY 582 N 0.97 0.87 2.00 -3.84 0.00 -1.78 -2.20 103.07 99.10 1n54 h GLY 582 Ca 0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 1n54 h GLY 582 CO 0.05 1.10 -0.06 0.50 0.00 0.00 0.00 176.54 178.13 1n54 h LYS 583 N 0.53 0.00 -0.01 4.80 1.57 -0.76 -0.75 116.57 121.95 1n54 h LYS 583 Ca -0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1n54 h LYS 583 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1n54 h LYS 583 CO 0.16 0.06 -0.25 1.25 -0.57 0.00 0.00 179.45 180.09 1n54 h LEU 584 N 0.00 0.23 -0.02 2.94 5.85 -1.21 -3.30 115.31 119.81 1n54 h LEU 584 Ca -0.00 -0.76 0.02 0.00 0.84 0.00 0.00 57.88 57.99 1n54 h LEU 584 Cb 0.11 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1n54 h LEU 584 CO 0.01 0.96 -0.14 -0.74 -0.34 0.00 0.00 178.44 178.18 1n54 h HIS 585 N -0.47 -0.37 -0.95 1.25 2.76 -0.71 -1.09 115.15 115.57 1n54 h HIS 585 Ca -0.03 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.26 1n54 h HIS 585 Cb 0.99 0.17 -0.13 0.00 1.55 0.00 0.00 27.41 29.99 1n54 h HIS 585 CO 0.17 -0.21 -0.51 0.28 -1.30 0.00 0.00 177.93 176.36 1n54 h VAL 586 N -0.23 0.01 -0.48 5.26 2.07 -1.28 1.37 116.25 122.96 1n54 h VAL 586 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1n54 h VAL 586 Cb 0.30 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1n54 h VAL 586 CO -0.15 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.69 1n54 h LEU 587 N -0.03 0.38 0.40 2.57 3.38 -1.52 0.80 115.31 121.28 1n54 h LEU 587 Ca 0.22 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1n54 h LEU 587 Cb 0.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1n54 h LEU 587 CO -0.93 0.25 -0.19 -0.09 0.09 0.00 0.00 178.44 177.57 1n54 h ARG 588 N 0.43 -0.52 0.40 1.13 2.43 0.29 -1.22 114.38 117.32 1n54 h ARG 588 Ca 0.21 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1n54 h ARG 588 Cb 0.27 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1n54 h ARG 588 CO -0.05 -0.26 -0.19 0.28 -1.51 0.00 0.00 179.97 178.24 1n54 h VAL 589 N -0.71 0.61 -0.87 0.20 2.07 -0.01 -0.85 116.25 116.70 1n54 h VAL 589 Ca -0.06 -0.15 0.19 0.00 0.82 0.00 0.00 66.70 67.50 1n54 h VAL 589 Cb 0.50 0.69 -0.16 0.00 -1.52 0.00 0.00 31.29 30.80 1n54 h VAL 589 CO 0.09 0.03 -0.14 -0.03 0.02 0.00 0.00 177.57 177.54 1n54 h MET 590 N -0.62 0.02 -0.24 1.57 1.85 -0.87 0.73 114.93 117.37 1n54 h MET 590 Ca -0.05 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1n54 h MET 590 Cb 0.46 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1n54 h MET 590 CO 0.09 0.01 0.14 0.35 -0.40 0.00 0.00 176.91 177.10 1n54 h PHE 591 N 0.02 0.32 -0.21 1.39 3.57 -1.00 0.11 116.94 121.13 1n54 h PHE 591 Ca 0.44 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.00 1n54 h PHE 591 Cb 0.74 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1n54 h PHE 591 CO -0.61 0.25 0.27 0.93 -2.23 0.00 0.00 178.31 176.92 1n54 h GLU 592 N 0.29 0.00 0.02 1.11 4.39 0.18 0.64 114.58 121.21 1n54 h GLU 592 Ca 0.08 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.56 1n54 h GLU 592 Cb 0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1n54 h GLU 592 CO -0.02 0.00 -1.23 0.28 -1.16 0.00 0.00 179.01 176.88 1n54 h VAL 593 N 0.00 0.98 -0.55 3.13 2.07 0.04 -3.41 116.25 118.50 1n54 h VAL 593 Ca 0.10 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1n54 h VAL 593 Cb 0.63 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1n54 h VAL 593 CO -0.00 0.44 0.00 0.79 0.02 0.00 0.00 177.57 178.82 1n54 n TRP 594 N -4.30 1.32 0.00 1.57 7.02 0.30 -1.17 117.44 122.18 1n54 n TRP 594 Ca -0.29 -0.64 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 1n54 n TRP 594 Cb 0.72 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1n54 n TRP 594 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1n54 n ARG 595 N 0.79 0.00 -0.28 -0.99 1.85 0.22 0.12 116.66 118.37 1n54 n ARG 595 Ca 0.24 0.12 0.07 0.00 -1.00 0.00 0.00 57.85 57.28 1n54 n ARG 595 Cb 0.85 -1.53 0.19 0.00 -1.05 0.00 0.00 32.46 30.93 1n54 n ARG 595 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1n54 n ASN 596 N -1.05 3.25 -3.08 2.89 3.02 -1.26 -4.78 115.26 114.25 1n54 n ASN 596 Ca 0.00 -2.68 -0.09 0.00 -0.03 0.00 0.00 54.58 51.78 1n54 n ASN 596 Cb 0.03 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1n54 n ASN 596 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1n54 s HIS 597 N -2.21 -0.98 0.08 3.10 2.46 0.32 -3.32 115.29 114.74 1n54 s HIS 597 Ca 0.32 -0.70 -0.37 0.00 0.47 0.00 0.00 55.06 54.78 1n54 s HIS 597 Cb 0.25 -0.01 -0.19 0.00 -0.13 0.00 0.00 32.58 32.50 1n54 s HIS 597 CO 0.09 -1.13 1.56 -1.35 -2.47 0.00 0.00 174.74 171.45 1n54 h PRO 598 N 5.95 -1.11 -1.43 2.88 0.11 -1.87 -2.10 132.00 134.43 1n54 h PRO 598 Ca 0.09 0.08 0.45 0.00 0.11 0.00 0.00 66.00 66.73 1n54 h PRO 598 Cb 1.08 0.25 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 1n54 h PRO 598 CO 0.12 -0.74 0.96 0.37 -0.21 0.00 0.00 178.00 178.50 1n54 h GLN 599 N -1.16 0.06 0.02 1.05 4.15 -1.97 1.85 115.11 119.12 1n54 h GLN 599 Ca -0.09 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1n54 h GLN 599 Cb 0.95 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1n54 h GLN 599 CO 0.05 0.04 -0.01 1.98 -1.93 0.00 0.00 178.83 178.96 1n54 h MET 600 N 0.07 -0.03 -0.80 1.69 4.05 -1.86 -0.56 114.93 117.49 1n54 h MET 600 Ca 0.83 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 60.35 1n54 h MET 600 Cb 2.78 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 33.51 1n54 h MET 600 CO -0.32 0.55 0.44 0.82 0.23 0.00 0.00 176.91 178.63 1n54 h ILE 601 N -0.62 0.88 0.70 1.77 2.04 0.33 -1.63 117.51 120.98 1n54 h ILE 601 Ca -0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1n54 h ILE 601 Cb 0.59 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1n54 h ILE 601 CO 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 178.15 177.95 1n54 h ALA 602 N 1.46 -1.16 -0.99 1.87 0.00 -0.42 -2.53 119.26 117.49 1n54 h ALA 602 Ca 0.39 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 55.37 1n54 h ALA 602 Cb 0.39 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1n54 h ALA 602 CO -0.26 -1.09 0.70 -0.39 0.00 0.00 0.00 179.25 178.21 1n54 h VAL 603 N -1.01 0.52 0.07 0.00 -1.51 -0.72 -1.78 116.25 111.83 1n54 h VAL 603 Ca -0.10 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1n54 h VAL 603 Cb 0.72 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1n54 h VAL 603 CO 0.16 0.02 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.41 1n54 h LEU 604 N 0.08 -0.08 -0.96 4.19 3.38 -1.26 -2.56 115.31 118.10 1n54 h LEU 604 Ca 0.49 -0.54 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1n54 h LEU 604 Cb 1.79 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.47 1n54 h LEU 604 CO -0.06 0.57 0.59 0.58 0.09 0.00 0.00 178.44 180.21 1n54 h VAL 605 N -0.81 0.88 0.00 1.22 2.07 -0.98 1.13 116.25 119.76 1n54 h VAL 605 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1n54 h VAL 605 Cb 0.62 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1n54 h VAL 605 CO 0.02 0.16 0.00 -0.67 0.02 0.00 0.00 177.57 177.10 1n54 n ASP 606 N -4.68 0.00 0.13 0.57 -0.08 -0.72 -1.76 116.55 110.02 1n54 n ASP 606 Ca 0.18 0.90 0.19 0.00 -1.51 0.00 0.00 54.79 54.55 1n54 n ASP 606 Cb 0.37 -0.40 0.77 0.00 2.34 0.00 0.00 41.12 44.21 1n54 n ASP 606 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1n54 h LYS 607 N 0.00 0.00 -0.38 -0.67 1.63 -1.02 -0.34 116.57 115.79 1n54 h LYS 607 Ca 0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1n54 h LYS 607 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1n54 h LYS 607 CO 0.00 0.00 -0.27 0.52 -3.45 0.00 0.00 179.45 176.25 1n54 h MET 608 N 0.00 0.81 0.16 1.90 2.86 0.16 -2.93 114.93 117.89 1n54 h MET 608 Ca 0.15 -0.35 -0.30 0.00 -2.06 0.00 0.00 59.70 57.14 1n54 h MET 608 Cb 0.79 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.44 1n54 h MET 608 CO -0.00 0.98 -1.35 0.82 1.06 0.00 0.00 176.91 178.42 1n54 h ILE 609 N 0.69 1.39 -0.04 -1.22 2.04 -0.24 0.58 117.51 120.70 1n54 h ILE 609 Ca 0.08 -2.93 0.01 0.00 1.00 0.00 0.00 64.86 63.03 1n54 h ILE 609 Cb 0.81 2.95 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1n54 h ILE 609 CO 0.07 0.86 0.05 0.03 0.00 0.00 0.00 178.15 179.16 1n54 h ARG 610 N 0.09 0.00 -0.43 2.37 3.08 -1.40 0.25 114.38 118.35 1n54 h ARG 610 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1n54 h ARG 610 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.09 1n54 h ARG 610 CO 0.22 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.37 1n54 n THR 611 N -3.87 1.42 -3.56 2.04 -2.24 -1.11 -4.98 114.28 101.97 1n54 n THR 611 Ca -0.02 -1.22 -0.26 0.00 -2.27 0.00 0.00 64.05 60.28 1n54 n THR 611 Cb 0.14 0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1n54 n THR 611 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n54 n GLN 612 N 0.54 -4.70 0.11 -0.78 6.02 0.87 -4.84 117.38 114.59 1n54 n GLN 612 Ca 0.18 0.61 0.12 0.00 -0.01 0.00 0.00 57.00 57.90 1n54 n GLN 612 Cb 0.63 -5.44 0.20 0.00 1.02 0.00 0.00 30.24 26.65 1n54 n GLN 612 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1n54 h ILE 613 N -1.59 0.00 -2.08 5.09 2.04 -0.06 -3.46 117.51 117.46 1n54 h ILE 613 Ca -0.52 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1n54 h ILE 613 Cb 1.34 1.42 -0.20 0.00 -0.74 0.00 0.00 36.82 38.64 1n54 h ILE 613 CO 0.61 0.00 0.11 0.68 0.00 0.00 0.00 178.15 179.55 1n54 s VAL 614 N -3.19 0.00 0.43 1.67 -7.23 -1.10 -4.86 120.40 106.11 1n54 s VAL 614 Ca 0.06 -0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.30 1n54 s VAL 614 Cb 0.11 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1n54 s VAL 614 CO 0.69 -0.01 0.50 1.51 -0.31 0.00 0.00 175.10 177.48 1n54 s ASP 615 N -0.22 5.37 0.11 4.85 1.47 -1.26 -3.71 116.67 123.29 1n54 s ASP 615 Ca -0.04 -0.58 -0.27 0.00 1.18 0.00 0.00 52.55 52.83 1n54 s ASP 615 Cb -0.03 -0.57 -0.08 0.00 -0.34 0.00 0.00 42.92 41.90 1n54 s ASP 615 CO 0.04 -0.75 1.64 0.00 0.68 0.00 0.00 175.17 176.78 1n54 h ALA 617 N 0.23 0.38 0.23 0.00 0.00 -1.96 -1.09 119.26 117.06 1n54 h ALA 617 Ca 0.03 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1n54 h ALA 617 Cb 0.51 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1n54 h ALA 617 CO -0.15 -0.47 -0.40 0.00 0.00 0.00 0.00 179.25 178.23 1n54 h ALA 618 N 1.59 -0.77 -0.32 0.00 0.00 -1.87 0.04 119.26 117.94 1n54 h ALA 618 Ca 0.33 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1n54 h ALA 618 Cb 0.54 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1n54 h ALA 618 CO -0.75 -0.99 0.52 0.28 0.00 0.00 0.00 179.25 178.31 1n54 h VAL 619 N -0.70 0.19 0.25 0.00 2.07 -1.01 0.36 116.25 117.41 1n54 h VAL 619 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1n54 h VAL 619 Cb 0.68 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1n54 h VAL 619 CO -0.17 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.30 1n54 h ALA 620 N 1.26 -0.34 0.00 1.67 0.00 -0.01 -1.51 119.26 120.33 1n54 h ALA 620 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n54 h ALA 620 Cb 1.19 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1n54 h ALA 620 CO -0.00 -0.35 -0.01 -0.91 0.00 0.00 0.00 179.25 177.98 1n54 h ASN 621 N -1.02 0.00 0.23 0.00 2.35 -0.63 -1.31 115.58 115.20 1n54 h ASN 621 Ca -0.03 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.40 1n54 h ASN 621 Cb 0.41 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.81 1n54 h ASN 621 CO 0.06 0.01 -1.33 -0.25 -1.65 0.00 0.00 177.43 174.26 1n54 h TRP 622 N 0.00 0.95 0.00 1.19 7.01 -0.96 -2.86 115.95 121.28 1n54 h TRP 622 Ca -0.00 -0.64 -0.06 0.00 2.11 0.00 0.00 58.89 60.30 1n54 h TRP 622 Cb 0.10 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1n54 h TRP 622 CO 0.00 1.49 -0.28 0.82 -2.79 0.00 0.00 178.44 177.68 1n54 h ILE 623 N 0.21 1.07 -0.64 2.65 1.08 -0.17 -2.61 117.51 119.09 1n54 h ILE 623 Ca -0.21 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.20 1n54 h ILE 623 Cb 2.02 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 37.27 1n54 h ILE 623 CO 0.25 0.27 0.10 0.49 -0.69 0.00 0.00 178.15 178.57 1n54 n PHE 624 N -4.03 2.25 -3.48 1.37 3.01 -0.79 -4.91 117.46 110.89 1n54 n PHE 624 Ca -0.02 -0.90 -0.30 0.00 1.01 0.00 0.00 57.45 57.24 1n54 n PHE 624 Cb 0.34 -0.58 -0.04 0.00 -0.01 0.00 0.00 39.48 39.19 1n54 n PHE 624 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1n54 s SER 625 N -0.86 6.48 0.65 4.37 1.04 -0.99 -5.00 113.70 119.39 1n54 s SER 625 Ca 0.55 0.68 0.43 0.00 0.48 0.00 0.00 55.95 58.09 1n54 s SER 625 Cb 0.43 -2.13 2.30 0.00 0.10 0.00 0.00 66.02 66.72 1n54 s SER 625 CO 0.15 -0.10 2.32 0.77 0.98 0.00 0.00 173.24 177.37 1n54 h SER 626 N 2.13 0.00 0.66 7.02 4.64 -1.90 -1.58 113.55 124.52 1n54 h SER 626 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1n54 h SER 626 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1n54 h SER 626 CO 0.68 0.00 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.68 1n54 h GLU 627 N 0.00 0.00 -0.68 4.77 3.07 -1.94 -3.16 114.58 116.63 1n54 h GLU 627 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n54 h GLU 627 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1n54 h GLU 627 CO 0.00 0.63 0.00 1.28 -1.40 0.00 0.00 179.01 179.52 1n54 n LEU 628 N -3.76 4.52 0.02 1.33 4.77 -0.60 -4.54 117.00 118.74 1n54 n LEU 628 Ca -0.01 -2.28 -0.01 0.00 -0.03 0.00 0.00 56.01 53.69 1n54 n LEU 628 Cb 0.63 -0.56 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 1n54 n LEU 628 CO 0.42 0.85 0.88 0.28 -1.33 0.00 0.00 177.39 178.49 1n54 h SER 629 N 4.13 0.45 0.88 -1.43 0.02 -1.51 0.13 113.55 116.23 1n54 h SER 629 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1n54 h SER 629 Cb 1.33 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1n54 h SER 629 CO 0.17 0.58 0.00 0.54 -1.14 0.00 0.00 176.83 176.98 1n54 n ARG 630 N -4.24 0.01 0.00 3.45 1.74 -1.26 -3.23 116.66 113.13 1n54 n ARG 630 Ca 0.01 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1n54 n ARG 630 Cb 0.28 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1n54 n ARG 630 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1n54 n ASP 631 N -1.53 0.23 0.07 0.55 8.00 -1.08 -4.80 116.55 117.99 1n54 n ASP 631 Ca 0.06 -0.60 0.14 0.00 0.71 0.00 0.00 54.79 55.10 1n54 n ASP 631 Cb 0.30 0.73 0.23 0.00 -0.02 0.00 0.00 41.12 42.35 1n54 n ASP 631 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1n54 h PHE 632 N 0.00 0.00 -0.01 1.24 3.57 -0.71 1.35 116.94 122.38 1n54 h PHE 632 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n54 h PHE 632 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1n54 h PHE 632 CO 0.00 0.00 -0.62 0.25 -2.23 0.00 0.00 178.31 175.71 1n54 n THR 633 N -2.87 0.00 -2.63 4.41 -2.24 -1.26 -4.91 114.28 104.77 1n54 n THR 633 Ca 0.11 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1n54 n THR 633 Cb 1.24 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 70.51 1n54 n THR 633 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n54 s ARG 634 N -2.37 4.72 0.10 -0.78 0.52 0.46 -4.98 118.95 116.62 1n54 s ARG 634 Ca 0.10 1.60 -0.20 0.00 -0.52 0.00 0.00 55.73 56.71 1n54 s ARG 634 Cb 0.13 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1n54 s ARG 634 CO 0.59 0.28 1.33 1.28 0.02 0.00 0.00 175.30 178.81 1n54 n LEU 635 N 1.93 -0.67 -0.33 2.53 4.77 -1.26 -1.91 117.00 122.06 1n54 n LEU 635 Ca 0.00 1.49 0.23 0.00 -0.03 0.00 0.00 56.01 57.70 1n54 n LEU 635 Cb 0.47 -0.32 0.43 0.00 -2.33 0.00 0.00 43.42 41.67 1n54 n LEU 635 CO 0.52 -1.10 0.94 2.19 -1.33 0.00 0.00 177.39 178.61 1n54 h PHE 636 N 0.00 0.40 -0.15 -1.77 -0.00 -1.94 -1.20 116.94 112.29 1n54 h PHE 636 Ca 0.10 0.06 0.02 0.00 -0.00 0.00 0.00 57.97 58.14 1n54 h PHE 636 Cb 0.26 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 36.18 1n54 h PHE 636 CO -0.99 -0.43 -0.14 0.28 -0.00 0.00 0.00 178.31 177.03 1n54 h VAL 637 N 0.03 0.00 -0.08 0.88 2.07 -1.70 -0.71 116.25 116.74 1n54 h VAL 637 Ca 0.72 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.22 1n54 h VAL 637 Cb 1.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1n54 h VAL 637 CO -0.83 0.00 -0.03 -0.50 0.02 0.00 0.00 177.57 176.23 1n54 h TRP 638 N -0.07 0.11 -0.33 1.57 4.06 -1.40 -1.98 115.95 117.91 1n54 h TRP 638 Ca 0.02 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.03 1n54 h TRP 638 Cb 0.14 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 1n54 h TRP 638 CO -0.73 0.15 -0.01 1.49 -3.56 0.00 0.00 178.44 175.78 1n54 h GLU 639 N 0.12 0.08 0.77 0.49 4.81 -0.31 0.16 114.58 120.70 1n54 h GLU 639 Ca 0.03 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1n54 h GLU 639 Cb 0.13 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1n54 h GLU 639 CO 0.00 0.05 -0.37 0.82 -0.73 0.00 0.00 179.01 178.78 1n54 h ILE 640 N 0.08 0.00 -0.96 2.32 2.04 -0.46 0.15 117.51 120.68 1n54 h ILE 640 Ca 0.16 -0.06 0.38 0.00 1.00 0.00 0.00 64.86 66.34 1n54 h ILE 640 Cb 0.23 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.13 1n54 h ILE 640 CO -0.28 0.00 0.44 -0.11 0.00 0.00 0.00 178.15 178.19 1n54 n LEU 641 N -4.96 0.26 0.01 1.44 7.94 -0.94 0.11 117.00 120.86 1n54 n LEU 641 Ca -0.13 1.60 -0.19 0.00 -1.11 0.00 0.00 56.01 56.19 1n54 n LEU 641 Cb 0.41 -0.75 -0.09 0.00 0.53 0.00 0.00 43.42 43.52 1n54 n LEU 641 CO 0.31 -1.77 0.17 0.45 -1.11 0.00 0.00 177.39 175.44 1n54 h HIS 642 N 0.00 1.02 -0.06 1.96 3.86 -0.25 -2.02 115.15 119.66 1n54 h HIS 642 Ca 0.78 -0.51 0.04 0.00 -1.16 0.00 0.00 60.37 59.52 1n54 h HIS 642 Cb 2.00 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 30.29 1n54 h HIS 642 CO -0.09 1.34 -0.22 1.03 0.86 0.00 0.00 177.93 180.85 1n54 h SER 643 N 0.40 -0.66 -0.95 2.45 0.87 0.37 0.48 113.55 116.51 1n54 h SER 643 Ca -0.09 0.10 0.18 0.00 -1.23 0.00 0.00 61.79 60.75 1n54 h SER 643 Cb 1.54 0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 63.70 1n54 h SER 643 CO 0.18 -0.28 0.60 0.74 -0.53 0.00 0.00 176.83 177.54 1n54 h THR 644 N -0.32 0.74 -0.03 2.23 2.02 -0.58 -0.62 112.91 116.36 1n54 h THR 644 Ca 0.08 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 1n54 h THR 644 Cb 0.43 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1n54 h THR 644 CO -0.24 0.12 -0.26 0.40 0.37 0.00 0.00 175.52 175.91 1n54 h ILE 645 N 0.65 1.49 -0.10 3.11 2.04 -0.29 -2.90 117.51 121.50 1n54 h ILE 645 Ca 0.51 -1.80 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1n54 h ILE 645 Cb 0.93 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.52 1n54 h ILE 645 CO -0.26 0.50 -0.12 0.03 0.00 0.00 0.00 178.15 178.29 1n54 h ARG 646 N -0.37 -0.15 -0.41 2.37 3.08 0.78 0.65 114.38 120.33 1n54 h ARG 646 Ca -0.02 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.15 1n54 h ARG 646 Cb 0.95 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1n54 h ARG 646 CO 0.05 -0.10 0.35 0.87 -1.07 0.00 0.00 179.97 180.07 1n54 h LYS 647 N -0.16 0.00 0.05 0.04 1.57 -1.23 1.17 116.57 118.01 1n54 h LYS 647 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1n54 h LYS 647 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1n54 h LYS 647 CO -0.20 0.00 -0.40 1.98 -0.57 0.00 0.00 179.45 180.26 1n54 h MET 648 N 0.00 0.17 -0.94 3.15 4.05 -0.73 -2.78 114.93 117.85 1n54 h MET 648 Ca 0.19 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1n54 h MET 648 Cb 0.90 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.74 1n54 h MET 648 CO -0.00 1.08 0.61 -0.91 0.23 0.00 0.00 176.91 177.92 1n54 h ASN 649 N -0.60 1.03 -0.48 1.39 -0.26 0.52 -1.90 115.58 115.28 1n54 h ASN 649 Ca -0.06 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.59 1n54 h ASN 649 Cb 1.26 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.27 1n54 h ASN 649 CO 0.08 0.71 0.02 0.11 -1.06 0.00 0.00 177.43 177.28 1n54 h LYS 650 N 1.20 0.84 -0.14 0.81 1.79 1.00 -3.10 116.57 118.97 1n54 h LYS 650 Ca 0.37 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1n54 h LYS 650 Cb -0.02 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.50 1n54 h LYS 650 CO -0.12 0.87 -0.25 1.25 -1.08 0.00 0.00 179.45 180.13 1n54 h HIS 651 N 0.69 -0.67 0.20 -1.35 2.76 -1.06 -0.81 115.15 114.91 1n54 h HIS 651 Ca 0.14 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1n54 h HIS 651 Cb 0.49 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.72 1n54 h HIS 651 CO 0.04 -0.33 -0.45 0.28 -1.30 0.00 0.00 177.93 176.16 1n54 h VAL 652 N -0.31 0.11 -0.93 5.26 2.07 -1.42 -2.30 116.25 118.72 1n54 h VAL 652 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.83 1n54 h VAL 652 Cb 0.47 0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 1n54 h VAL 652 CO -0.32 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.69 1n54 h LEU 653 N -0.74 0.53 0.36 2.57 3.38 -1.39 -1.36 115.31 118.66 1n54 h LEU 653 Ca -0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1n54 h LEU 653 Cb 0.73 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1n54 h LEU 653 CO -0.21 0.11 -0.17 0.50 0.09 0.00 0.00 178.44 178.76 1n54 h LYS 654 N 0.55 -0.47 0.00 1.13 3.64 -0.61 -1.00 116.57 119.82 1n54 h LYS 654 Ca 0.57 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1n54 h LYS 654 Cb 1.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1n54 h LYS 654 CO -0.46 -0.27 0.00 0.82 -2.27 0.00 0.00 179.45 177.27 1n54 h ILE 655 N -0.55 0.00 0.11 2.00 2.04 -1.03 0.25 117.51 120.32 1n54 h ILE 655 Ca -0.05 -0.03 -0.27 0.00 1.00 0.00 0.00 64.86 65.51 1n54 h ILE 655 Cb 0.41 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1n54 h ILE 655 CO 0.08 0.00 -1.20 1.56 0.00 0.00 0.00 178.15 178.59 1n54 h GLN 656 N 0.00 0.32 0.10 2.37 4.20 -0.18 -2.86 115.11 119.06 1n54 h GLN 656 Ca 0.00 -0.49 -0.26 0.00 0.06 0.00 0.00 58.65 57.95 1n54 h GLN 656 Cb 0.04 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1n54 h GLN 656 CO 0.00 1.21 -1.22 1.57 -0.67 0.00 0.00 178.83 179.72 1n54 h LYS 657 N 0.11 0.22 0.00 1.46 2.10 0.28 -1.32 116.57 119.41 1n54 h LYS 657 Ca -0.13 -0.37 -0.06 0.00 -2.00 0.00 0.00 60.65 58.09 1n54 h LYS 657 Cb 1.90 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 33.36 1n54 h LYS 657 CO 0.20 1.17 -0.28 0.93 -2.00 0.00 0.00 179.45 179.47 1n54 h GLU 658 N 0.06 0.00 0.04 0.07 5.08 -0.69 -1.02 114.58 118.12 1n54 h GLU 658 Ca -0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.97 1n54 h GLU 658 Cb 1.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1n54 h GLU 658 CO 0.19 0.28 -1.47 1.25 -1.00 0.00 0.00 179.01 178.25 1n54 h LEU 659 N 0.00 0.12 -1.12 1.33 5.85 -1.49 -2.60 115.31 117.40 1n54 h LEU 659 Ca -0.00 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1n54 h LEU 659 Cb 0.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1n54 h LEU 659 CO 0.04 1.15 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.86 1n54 h GLU 660 N 0.02 0.00 0.06 1.25 4.57 -0.96 -2.11 114.58 117.42 1n54 h GLU 660 Ca -0.20 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.66 1n54 h GLU 660 Cb 1.94 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.50 1n54 h GLU 660 CO 0.11 0.35 -1.77 0.93 -1.18 0.00 0.00 179.01 177.46 1n54 h GLU 661 N 0.00 0.14 0.81 1.92 5.08 -1.28 -3.34 114.58 117.90 1n54 h GLU 661 Ca -0.00 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1n54 h GLU 661 Cb 0.79 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1n54 h GLU 661 CO 0.05 0.86 -0.39 0.00 -1.00 0.00 0.00 179.01 178.53 1n54 h ALA 662 N 0.59 -1.09 -1.14 3.43 0.00 -1.34 -2.72 119.26 116.99 1n54 h ALA 662 Ca -0.32 -0.24 0.32 0.00 0.00 0.00 0.00 54.91 54.67 1n54 h ALA 662 Cb 2.02 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 20.13 1n54 h ALA 662 CO 0.10 -1.08 0.75 0.87 0.00 0.00 0.00 179.25 179.88 1n54 h LYS 663 N -1.14 0.25 -0.80 0.00 1.57 -1.56 -0.71 116.57 114.19 1n54 h LYS 663 Ca -0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1n54 h LYS 663 Cb 0.84 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1n54 h LYS 663 CO 0.18 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.62 1n54 n GLU 664 N -4.58 0.37 0.00 3.15 -0.58 -1.03 -5.14 120.64 112.83 1n54 n GLU 664 Ca 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1n54 n GLU 664 Cb 1.08 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 1n54 n GLU 664 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n54 n LYS 665 N 0.48 0.00 0.00 3.49 5.02 -0.28 -5.09 118.16 121.79 1n54 n LYS 665 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n54 n LYS 665 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1n54 n LYS 665 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1n54 n LEU 688 N 0.00 0.00 0.00 -0.35 7.94 -1.26 -5.06 117.00 118.27 1n54 n LEU 688 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1n54 n LEU 688 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 1n54 n LEU 688 CO 0.00 0.00 0.35 -0.62 -1.11 0.00 0.00 177.39 176.01 1n54 n GLU 689 N 0.00 0.43 0.00 1.96 1.02 -1.26 -3.64 120.64 119.14 1n54 n GLU 689 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1n54 n GLU 689 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1n54 n GLU 689 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1n54 n GLU 690 N -0.68 0.00 -0.01 3.49 0.28 -1.26 0.74 120.64 123.20 1n54 n GLU 690 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.87 1n54 n GLU 690 Cb 0.02 -1.33 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 1n54 n GLU 690 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1n54 h GLN 691 N 0.00 0.57 -0.88 3.44 5.75 -1.99 -2.30 115.11 119.70 1n54 h GLN 691 Ca 0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1n54 h GLN 691 Cb 0.00 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1n54 h GLN 691 CO 0.00 1.13 0.58 0.82 -2.65 0.00 0.00 178.83 178.71 1n54 h ILE 692 N 0.18 1.23 -0.27 2.39 2.04 -0.02 0.38 117.51 123.44 1n54 h ILE 692 Ca -0.06 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1n54 h ILE 692 Cb 1.29 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1n54 h ILE 692 CO 0.13 0.22 0.16 -0.08 0.00 0.00 0.00 178.15 178.59 1n54 h GLU 693 N 1.20 0.33 -0.68 2.37 4.81 -1.64 0.39 114.58 121.36 1n54 h GLU 693 Ca 0.32 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1n54 h GLU 693 Cb -0.13 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1n54 h GLU 693 CO -0.07 0.22 0.38 -0.09 -0.73 0.00 0.00 179.01 178.71 1n54 h ARG 694 N 0.34 0.94 -0.05 1.92 2.43 -0.71 -2.05 114.38 117.20 1n54 h ARG 694 Ca 0.10 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1n54 h ARG 694 Cb -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1n54 h ARG 694 CO -0.04 0.71 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.94 1n54 h LEU 695 N 0.93 0.18 -0.72 3.80 3.38 0.10 -2.11 115.31 120.87 1n54 h LEU 695 Ca 0.24 -0.59 0.15 0.00 0.09 0.00 0.00 57.88 57.77 1n54 h LEU 695 Cb 0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1n54 h LEU 695 CO -0.04 0.74 0.19 -0.61 0.09 0.00 0.00 178.44 178.80 1n54 h GLN 696 N -0.37 0.28 -0.05 1.13 5.75 -0.19 0.73 115.11 122.41 1n54 h GLN 696 Ca -0.00 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1n54 h GLN 696 Cb 0.71 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1n54 h GLN 696 CO 0.02 0.19 -0.31 1.49 -2.65 0.00 0.00 178.83 177.57 1n54 h GLU 697 N 0.29 0.09 -0.07 1.69 4.81 -1.38 -2.72 114.58 117.28 1n54 h GLU 697 Ca 0.40 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.37 1n54 h GLU 697 Cb 0.66 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1n54 h GLU 697 CO -0.48 0.40 -0.88 -0.22 -0.73 0.00 0.00 179.01 177.10 1n54 h LYS 698 N 0.08 0.66 0.02 1.92 3.64 0.95 -2.97 116.57 120.86 1n54 h LYS 698 Ca 0.01 -0.61 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1n54 h LYS 698 Cb 0.60 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1n54 h LYS 698 CO 0.04 1.22 -0.09 0.28 -2.27 0.00 0.00 179.45 178.63 1n54 h VAL 699 N 0.41 0.78 -0.69 2.00 2.07 -0.09 0.49 116.25 121.23 1n54 h VAL 699 Ca -0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1n54 h VAL 699 Cb 1.51 0.78 -0.13 0.00 -1.52 0.00 0.00 31.29 31.93 1n54 h VAL 699 CO 0.17 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.20 1n54 h GLU 700 N -0.16 -0.05 -0.04 1.57 4.39 -1.49 0.23 114.58 119.03 1n54 h GLU 700 Ca 0.03 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 1n54 h GLU 700 Cb 0.19 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1n54 h GLU 700 CO -0.07 -0.03 -0.61 0.77 -1.16 0.00 0.00 179.01 177.90 1n54 h SER 701 N -0.05 0.17 0.29 1.42 0.02 -1.28 -1.17 113.55 112.96 1n54 h SER 701 Ca 0.31 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1n54 h SER 701 Cb 0.54 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1n54 h SER 701 CO -0.73 0.74 -0.41 0.00 -1.14 0.00 0.00 176.83 175.30 1n54 h ALA 702 N 1.26 1.18 0.02 3.77 0.00 0.28 -2.85 119.26 122.91 1n54 h ALA 702 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1n54 h ALA 702 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1n54 h ALA 702 CO 0.09 0.57 -0.64 1.96 0.00 0.00 0.00 179.25 181.23 1n54 h GLN 703 N 0.13 0.04 -0.99 0.00 4.20 -0.56 -3.10 115.11 114.83 1n54 h GLN 703 Ca 0.01 -0.08 0.20 0.00 0.06 0.00 0.00 58.65 58.84 1n54 h GLN 703 Cb 0.79 0.03 -0.19 0.00 0.30 0.00 0.00 27.48 28.41 1n54 h GLN 703 CO 0.06 1.04 -0.25 0.45 -0.67 0.00 0.00 178.83 179.46 1n54 n SER 704 N -4.45 -0.36 -0.05 1.46 2.88 -0.45 0.18 113.62 112.83 1n54 n SER 704 Ca -0.19 1.70 -0.06 0.00 -1.33 0.00 0.00 58.87 58.99 1n54 n SER 704 Cb 0.62 -0.51 0.13 0.00 -0.75 0.00 0.00 64.21 63.69 1n54 n SER 704 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1n54 h GLU 705 N 0.00 0.67 -0.73 -1.46 4.81 -1.64 -1.70 114.58 114.52 1n54 h GLU 705 Ca 0.47 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1n54 h GLU 705 Cb 0.72 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1n54 h GLU 705 CO -1.02 0.84 0.25 0.37 -0.73 0.00 0.00 179.01 178.71 1n54 h GLN 706 N 0.59 1.13 0.38 1.92 4.15 0.19 -0.98 115.11 122.48 1n54 h GLN 706 Ca 0.08 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1n54 h GLN 706 Cb 0.70 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1n54 h GLN 706 CO 0.05 0.95 -0.18 -0.22 -1.93 0.00 0.00 178.83 177.50 1n54 h LYS 707 N 1.08 -0.49 -0.81 1.69 3.64 0.14 -2.92 116.57 118.90 1n54 h LYS 707 Ca 0.24 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.85 1n54 h LYS 707 Cb 0.28 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.07 1n54 h LYS 707 CO -0.01 -0.19 0.08 -0.97 -2.27 0.00 0.00 179.45 176.09 1n54 h ASN 708 N -0.80 -0.24 -0.14 4.20 -1.24 -1.24 0.11 115.58 116.23 1n54 h ASN 708 Ca -0.05 0.20 0.03 0.00 0.71 0.00 0.00 56.30 57.19 1n54 h ASN 708 Cb 0.53 0.33 -0.06 0.00 0.73 0.00 0.00 38.32 39.84 1n54 h ASN 708 CO 0.09 -0.18 -0.51 0.25 -1.29 0.00 0.00 177.43 175.79 1n54 h LEU 709 N 0.14 -1.61 -0.71 0.34 5.85 -0.99 0.46 115.31 118.78 1n54 h LEU 709 Ca 0.47 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 59.36 1n54 h LEU 709 Cb 0.87 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 1n54 h LEU 709 CO -0.67 -0.44 0.36 -0.26 -0.34 0.00 0.00 178.44 177.08 1n54 h PHE 710 N -0.53 1.01 -0.95 1.25 -1.00 -1.25 -0.11 116.94 115.36 1n54 h PHE 710 Ca 0.03 -0.04 0.13 0.00 2.81 0.00 0.00 57.97 60.90 1n54 h PHE 710 Cb 0.63 -0.32 -0.08 0.00 3.61 0.00 0.00 35.95 39.79 1n54 h PHE 710 CO -0.59 0.74 0.60 -0.07 -1.61 0.00 0.00 178.31 177.38 1n54 h LEU 711 N 0.99 0.81 0.41 1.54 4.07 0.08 -0.88 115.31 122.33 1n54 h LEU 711 Ca 0.25 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.23 1n54 h LEU 711 Cb 0.09 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1n54 h LEU 711 CO -0.03 0.42 -0.20 0.58 -1.08 0.00 0.00 178.44 178.13 1n54 h VAL 712 N 0.86 0.00 -1.24 1.22 2.07 0.97 -1.55 116.25 118.58 1n54 h VAL 712 Ca 0.47 -0.46 0.36 0.00 0.82 0.00 0.00 66.70 67.89 1n54 h VAL 712 Cb 0.57 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1n54 h VAL 712 CO -0.23 0.00 1.10 0.40 0.02 0.00 0.00 177.57 178.85 1n54 h ILE 713 N -1.01 0.13 0.00 4.57 2.04 -0.74 -0.12 117.51 122.38 1n54 h ILE 713 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1n54 h ILE 713 Cb 0.42 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1n54 h ILE 713 CO 0.09 0.00 -0.31 -0.26 0.00 0.00 0.00 178.15 177.67 1n54 h PHE 714 N 0.00 0.00 -0.99 1.37 0.04 -1.15 -2.91 116.94 113.30 1n54 h PHE 714 Ca 0.59 0.00 0.25 0.00 2.80 0.00 0.00 57.97 61.61 1n54 h PHE 714 Cb 2.78 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 40.74 1n54 h PHE 714 CO 0.00 0.00 -0.05 1.96 -0.60 0.00 0.00 178.31 179.62 1n54 h GLN 715 N -0.83 0.01 -0.20 1.51 4.20 -0.16 1.84 115.11 121.48 1n54 h GLN 715 Ca 0.00 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1n54 h GLN 715 Cb 0.31 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1n54 h GLN 715 CO 0.00 0.00 -0.35 0.00 -0.67 0.00 0.00 178.83 177.82 1n54 h ARG 716 N 0.01 0.42 -0.30 1.46 2.47 -1.25 -2.00 114.38 115.19 1n54 h ARG 716 Ca 0.56 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.99 1n54 h ARG 716 Cb 1.08 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1n54 h ARG 716 CO -0.95 0.71 -0.27 0.74 0.56 0.00 0.00 179.97 180.76 1n54 h PHE 717 N 0.36 0.68 -0.20 3.04 0.04 0.28 -2.40 116.94 118.74 1n54 h PHE 717 Ca 0.04 -0.16 -0.18 0.00 2.80 0.00 0.00 57.97 60.47 1n54 h PHE 717 Cb 0.78 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1n54 h PHE 717 CO 0.02 0.81 -0.62 0.82 -0.60 0.00 0.00 178.31 178.75 1n54 h ILE 718 N 0.52 1.30 -0.53 -0.55 2.04 -0.08 -2.98 117.51 117.23 1n54 h ILE 718 Ca 0.07 -1.85 0.08 0.00 1.00 0.00 0.00 64.86 64.15 1n54 h ILE 718 Cb 0.74 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 1n54 h ILE 718 CO 0.06 0.59 0.18 -0.03 0.00 0.00 0.00 178.15 178.94 1n54 h MET 719 N 0.51 0.34 -0.01 2.37 4.05 -1.00 0.21 114.93 121.41 1n54 h MET 719 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1n54 h MET 719 Cb 1.20 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1n54 h MET 719 CO 0.12 0.23 -0.04 0.44 0.23 0.00 0.00 176.91 177.89 1n54 n ILE 720 N -5.01 0.00 -0.04 1.77 -5.35 -0.94 -3.01 119.36 106.77 1n54 n ILE 720 Ca 0.06 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 1n54 n ILE 720 Cb 0.22 -0.11 -0.01 0.00 -1.74 0.00 0.00 39.64 38.00 1n54 n ILE 720 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1n54 n LEU 721 N -0.70 0.96 -0.07 7.28 4.77 -0.70 -3.96 117.00 124.59 1n54 n LEU 721 Ca 0.19 0.18 0.25 0.00 -0.03 0.00 0.00 56.01 56.61 1n54 n LEU 721 Cb 0.23 -0.62 0.70 0.00 -2.33 0.00 0.00 43.42 41.40 1n54 n LEU 721 CO 0.20 -0.39 1.23 0.74 -1.33 0.00 0.00 177.39 177.84 1n54 h THR 722 N -0.50 0.37 -0.20 -5.08 2.02 -1.15 1.21 112.91 109.58 1n54 h THR 722 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1n54 h THR 722 Cb 0.48 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1n54 h THR 722 CO 0.00 0.00 -0.20 -0.08 0.37 0.00 0.00 175.52 175.61 1n54 h GLU 723 N 0.00 0.35 0.07 6.66 4.81 -1.73 -1.89 114.58 122.84 1n54 h GLU 723 Ca 0.34 -0.11 -0.32 0.00 -0.13 0.00 0.00 59.36 59.14 1n54 h GLU 723 Cb 1.62 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.94 1n54 h GLU 723 CO -0.00 0.54 -1.76 1.25 -0.73 0.00 0.00 179.01 178.31 1n54 h HIS 724 N 0.32 0.28 -0.61 0.92 2.76 0.12 -3.22 115.15 115.71 1n54 h HIS 724 Ca 0.06 -0.20 -0.09 0.00 -2.20 0.00 0.00 60.37 57.94 1n54 h HIS 724 Cb 0.54 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1n54 h HIS 724 CO 0.01 1.37 0.05 -0.07 -1.30 0.00 0.00 177.93 177.99 1n54 h LEU 725 N 0.04 1.00 -0.49 0.26 3.38 -0.73 -2.12 115.31 116.64 1n54 h LEU 725 Ca -0.32 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 1n54 h LEU 725 Cb 2.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1n54 h LEU 725 CO 0.10 1.03 -0.32 0.58 0.09 0.00 0.00 178.44 179.92 1n54 h VAL 726 N 0.96 0.62 0.15 1.22 2.07 -1.50 -3.12 116.25 116.65 1n54 h VAL 726 Ca 0.18 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1n54 h VAL 726 Cb 0.49 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1n54 h VAL 726 CO 0.02 0.31 -0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1n54 h ARG 727 N 0.00 -0.20 0.00 1.57 2.43 -1.49 -1.82 114.38 114.87 1n54 h ARG 727 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1n54 h ARG 727 Cb 1.06 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1n54 h ARG 727 CO 0.04 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.72 1n54 n GLU 729 N -1.34 0.69 0.10 0.00 0.00 -1.15 -1.72 120.64 117.23 1n54 n GLU 729 Ca 0.06 0.23 -0.16 0.00 0.00 0.00 0.00 57.16 57.29 1n54 n GLU 729 Cb 0.13 -1.69 -0.12 0.00 0.00 0.00 0.00 31.44 29.76 1n54 n GLU 729 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1n54 h THR 730 N 0.03 1.47 0.00 6.31 2.02 -0.88 -3.29 112.91 118.57 1n54 h THR 730 Ca -0.41 -2.93 -0.12 0.00 0.77 0.00 0.00 66.41 63.72 1n54 h THR 730 Cb 2.04 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 71.28 1n54 h THR 730 CO 0.05 0.86 -1.27 0.44 0.37 0.00 0.00 175.52 175.98 1n54 h ASP 731 N 0.11 0.00 0.00 4.18 3.45 -1.56 -3.48 116.42 119.12 1n54 h ASP 731 Ca -0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1n54 h ASP 731 Cb 1.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.67 1n54 h ASP 731 CO 0.20 0.40 0.00 0.61 -1.57 0.00 0.00 179.24 178.88 1n54 n GLY 732 N 1.33 0.60 3.84 2.75 0.00 -0.83 -5.05 105.19 107.82 1n54 n GLY 732 Ca -0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1n54 n GLY 732 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n54 s THR 733 N -2.00 2.98 0.25 2.61 -4.23 -0.70 -4.96 115.64 109.59 1n54 s THR 733 Ca 0.00 0.32 -0.30 0.00 -1.18 0.00 0.00 61.69 60.53 1n54 s THR 733 Cb 0.00 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1n54 s THR 733 CO 0.00 -0.42 1.33 -0.44 -0.54 0.00 0.00 174.62 174.56 1n54 s SER 734 N -4.12 6.82 0.04 3.99 0.01 -1.26 -4.64 113.70 114.53 1n54 s SER 734 Ca 0.60 2.55 -0.15 0.00 1.31 0.00 0.00 55.95 60.26 1n54 s SER 734 Cb -0.13 -2.63 -0.34 0.00 0.21 0.00 0.00 66.02 63.14 1n54 s SER 734 CO 0.53 -0.55 1.04 0.58 0.41 0.00 0.00 173.24 175.24 1n54 h VAL 735 N 3.45 1.28 0.00 3.43 2.07 -1.95 -3.39 116.25 121.14 1n54 h VAL 735 Ca -0.46 -2.62 -0.55 0.00 0.82 0.00 0.00 66.70 63.88 1n54 h VAL 735 Cb 1.22 2.92 0.06 0.00 -1.52 0.00 0.00 31.29 33.98 1n54 h VAL 735 CO 0.73 0.79 2.05 0.18 0.02 0.00 0.00 177.57 181.34 1n54 n LEU 736 N -3.74 3.23 -4.89 2.57 4.77 -1.26 -4.69 117.00 112.98 1n54 n LEU 736 Ca -0.16 -2.44 -0.31 0.00 -0.03 0.00 0.00 56.01 53.07 1n54 n LEU 736 Cb 1.07 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1n54 n LEU 736 CO 0.60 -0.65 0.08 0.42 -1.33 0.00 0.00 177.39 176.51 1n54 s THR 737 N 5.22 5.11 0.50 -5.08 -4.23 -1.26 -4.93 115.64 110.96 1n54 s THR 737 Ca 0.53 0.11 0.26 0.00 -1.18 0.00 0.00 61.69 61.41 1n54 s THR 737 Cb 0.13 -3.63 0.44 0.00 1.34 0.00 0.00 72.50 70.77 1n54 s THR 737 CO 0.14 -0.02 1.90 -0.65 -0.54 0.00 0.00 174.62 175.45 1n54 h PRO 738 N 2.65 0.13 0.06 3.99 0.11 -1.90 0.15 132.00 137.20 1n54 h PRO 738 Ca -0.46 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 1n54 h PRO 738 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1n54 h PRO 738 CO 0.71 0.09 -1.06 2.35 -0.21 0.00 0.00 178.00 179.88 1n54 h TRP 739 N 0.13 0.37 -0.25 0.65 7.01 -1.93 -2.93 115.95 119.00 1n54 h TRP 739 Ca 0.41 -0.24 -0.19 0.00 2.11 0.00 0.00 58.89 60.98 1n54 h TRP 739 Cb 1.42 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 1n54 h TRP 739 CO -0.00 1.13 -0.59 -0.92 -2.79 0.00 0.00 178.44 175.27 1n54 h TYR 740 N 0.09 1.04 0.12 2.65 3.20 -1.11 -1.01 116.97 121.96 1n54 h TYR 740 Ca -0.08 -0.39 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 1n54 h TYR 740 Cb 1.76 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 1n54 h TYR 740 CO 0.04 1.21 -0.20 -0.22 -1.64 0.00 0.00 178.16 177.35 1n54 h LYS 741 N 0.61 -0.33 -0.00 1.82 3.64 -0.85 -0.14 116.57 121.32 1n54 h LYS 741 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1n54 h LYS 741 Cb 1.20 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1n54 h LYS 741 CO 0.13 -0.22 -0.40 -0.91 -2.27 0.00 0.00 179.45 175.77 1n54 h ASN 742 N -0.34 -1.25 -0.66 4.20 2.35 -1.54 -0.76 115.58 117.59 1n54 h ASN 742 Ca -0.01 0.14 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 1n54 h ASN 742 Cb 0.32 0.47 -0.12 0.00 0.05 0.00 0.00 38.32 39.04 1n54 h ASN 742 CO -0.07 -0.39 -0.35 0.00 -1.65 0.00 0.00 177.43 174.97 1n54 h ILE 744 N -0.14 1.23 -0.11 0.00 6.09 -0.76 -2.39 117.51 121.43 1n54 h ILE 744 Ca 0.25 -0.77 -0.10 0.00 -1.37 0.00 0.00 64.86 62.87 1n54 h ILE 744 Cb 0.56 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 1n54 h ILE 744 CO -0.73 0.29 -0.37 -0.33 -3.07 0.00 0.00 178.15 173.93 1n54 h GLU 745 N 0.74 0.24 -0.49 2.19 5.08 -0.51 -2.87 114.58 118.96 1n54 h GLU 745 Ca 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1n54 h GLU 745 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1n54 h GLU 745 CO -0.01 0.58 0.25 0.00 -1.00 0.00 0.00 179.01 178.84 1n54 h ARG 746 N 0.21 0.70 -0.48 2.33 2.47 -0.29 0.37 114.38 119.68 1n54 h ARG 746 Ca 0.02 -0.09 0.14 0.00 -1.26 0.00 0.00 59.98 58.79 1n54 h ARG 746 Cb 0.76 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 1n54 h ARG 746 CO 0.06 0.57 0.35 1.25 0.56 0.00 0.00 179.97 182.76 1n54 h LEU 747 N 0.65 0.00 -0.04 3.04 5.85 -1.24 0.12 115.31 123.69 1n54 h LEU 747 Ca 0.17 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.70 1n54 h LEU 747 Cb 0.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1n54 h LEU 747 CO -0.02 0.00 -0.72 -0.61 -0.34 0.00 0.00 178.44 176.75 1n54 h GLN 748 N 0.00 0.55 -0.19 1.25 4.15 -0.49 -3.14 115.11 117.25 1n54 h GLN 748 Ca 0.23 -0.55 0.05 0.00 0.77 0.00 0.00 58.65 59.16 1n54 h GLN 748 Cb 0.92 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1n54 h GLN 748 CO -0.00 1.17 0.14 0.37 -1.93 0.00 0.00 178.83 178.58 1n54 h GLN 749 N 0.14 0.00 -0.15 1.69 4.15 0.22 0.15 115.11 121.31 1n54 h GLN 749 Ca -0.08 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 1n54 h GLN 749 Cb 1.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 1n54 h GLN 749 CO 0.14 0.00 -0.24 0.82 -1.93 0.00 0.00 178.83 177.62 1n54 h ILE 750 N 0.00 1.36 -0.05 2.39 1.08 -1.32 -1.21 117.51 119.76 1n54 h ILE 750 Ca 0.09 -1.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 1n54 h ILE 750 Cb 0.37 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1n54 h ILE 750 CO -0.00 0.44 -0.17 -0.26 -0.69 0.00 0.00 178.15 177.47 1n54 h PHE 751 N 0.04 0.07 0.15 1.37 0.04 -1.16 -2.59 116.94 114.87 1n54 h PHE 751 Ca 0.01 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1n54 h PHE 751 Cb 0.81 -0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.96 1n54 h PHE 751 CO 0.10 0.24 -1.15 -0.07 -0.60 0.00 0.00 178.31 176.83 1n54 h LEU 752 N 0.07 0.51 0.06 1.54 3.38 -0.56 -2.97 115.31 117.34 1n54 h LEU 752 Ca 0.01 -0.92 -0.29 0.00 0.09 0.00 0.00 57.88 56.78 1n54 h LEU 752 Cb 0.34 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 40.95 1n54 h LEU 752 CO 0.02 1.53 -1.17 1.56 0.09 0.00 0.00 178.44 180.48 1n54 h GLN 753 N -0.25 0.64 -0.66 1.13 4.20 -1.26 -3.34 115.11 115.58 1n54 h GLN 753 Ca -0.22 -0.79 -0.29 0.00 0.06 0.00 0.00 58.65 57.40 1n54 h GLN 753 Cb 1.78 0.25 -0.18 0.00 0.30 0.00 0.00 27.48 29.64 1n54 h GLN 753 CO 0.14 1.35 0.26 0.72 -0.67 0.00 0.00 178.83 180.64 1n54 n HIS 754 N -3.81 2.07 -0.08 2.96 8.25 -0.98 -4.70 115.22 118.94 1n54 n HIS 754 Ca -0.12 -1.55 -0.06 0.00 -0.26 0.00 0.00 57.72 55.72 1n54 n HIS 754 Cb 0.95 -0.68 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 1n54 n HIS 754 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1n54 h HIS 755 N 1.41 -0.31 -0.90 4.41 2.07 -1.64 -2.42 115.15 117.76 1n54 h HIS 755 Ca 0.36 0.03 0.19 0.00 -2.85 0.00 0.00 60.37 58.10 1n54 h HIS 755 Cb 2.22 0.19 -0.17 0.00 2.57 0.00 0.00 27.41 32.22 1n54 h HIS 755 CO 1.24 -0.20 -0.20 0.37 -3.07 0.00 0.00 177.93 176.08 1n54 h GLN 756 N -0.08 0.00 0.03 5.12 5.75 -1.88 -1.86 115.11 122.20 1n54 h GLN 756 Ca 0.16 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1n54 h GLN 756 Cb 0.32 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1n54 h GLN 756 CO -0.37 0.00 -0.02 0.82 -2.65 0.00 0.00 178.83 176.62 1n54 h ILE 757 N 0.00 1.33 -0.93 2.39 1.08 -1.83 -3.32 117.51 116.24 1n54 h ILE 757 Ca 0.44 -1.23 0.24 0.00 -0.39 0.00 0.00 64.86 63.92 1n54 h ILE 757 Cb 0.70 2.14 -0.13 0.00 -3.07 0.00 0.00 36.82 36.46 1n54 h ILE 757 CO -0.91 0.31 0.44 0.40 -0.69 0.00 0.00 178.15 177.70 1n54 h ILE 758 N -0.59 0.45 0.00 -0.67 2.04 -0.92 0.48 117.51 118.29 1n54 h ILE 758 Ca -0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1n54 h ILE 758 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1n54 h ILE 758 CO 0.01 0.07 0.51 1.56 0.00 0.00 0.00 178.15 180.31 1n54 h GLN 759 N 0.41 0.00 0.00 2.37 4.20 -1.55 0.39 115.11 120.93 1n54 h GLN 759 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 1n54 h GLN 759 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1n54 h GLN 759 CO -0.54 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 178.66 1n54 n GLN 760 N -2.33 0.06 -0.65 1.46 6.02 0.16 -3.39 117.38 118.71 1n54 n GLN 760 Ca -0.01 0.14 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 1n54 n GLN 760 Cb 0.53 -1.58 0.20 0.00 1.02 0.00 0.00 30.24 30.42 1n54 n GLN 760 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1n54 n TYR 761 N -1.69 0.64 -0.36 1.08 4.02 0.14 -4.75 117.16 116.25 1n54 n TYR 761 Ca 0.05 -1.46 0.06 0.00 -0.01 0.00 0.00 57.90 56.55 1n54 n TYR 761 Cb 0.30 -0.37 0.22 0.00 -0.02 0.00 0.00 39.34 39.47 1n54 n TYR 761 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 1n54 h MET 762 N 0.98 0.99 -0.17 -0.72 2.86 -1.70 0.50 114.93 117.67 1n54 h MET 762 Ca 0.12 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1n54 h MET 762 Cb 1.38 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1n54 h MET 762 CO 0.22 0.65 0.05 0.28 1.06 0.00 0.00 176.91 179.17 1n54 h VAL 763 N 1.02 1.08 0.00 -2.22 2.07 -1.90 -2.19 116.25 114.11 1n54 h VAL 763 Ca 0.48 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1n54 h VAL 763 Cb 0.42 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1n54 h VAL 763 CO -0.25 0.10 -0.59 0.74 0.02 0.00 0.00 177.57 177.59 1n54 h THR 764 N 0.23 0.21 -0.05 2.57 2.02 -1.15 -3.34 112.91 113.39 1n54 h THR 764 Ca 0.06 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.01 1n54 h THR 764 Cb 0.08 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1n54 h THR 764 CO -0.00 0.07 -0.35 -0.07 0.37 0.00 0.00 175.52 175.54 1n54 h LEU 765 N -1.00 -1.10 -0.47 2.58 3.38 -0.18 0.33 115.31 118.86 1n54 h LEU 765 Ca -0.07 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1n54 h LEU 765 Cb 0.62 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1n54 h LEU 765 CO -0.04 -0.32 -0.53 -0.08 0.09 0.00 0.00 178.44 177.55 1n54 h GLU 766 N -0.40 -0.33 0.00 1.13 4.81 -1.61 -0.04 114.58 118.14 1n54 h GLU 766 Ca 0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n54 h GLU 766 Cb 0.45 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1n54 h GLU 766 CO -0.26 -0.22 -0.42 0.09 -0.73 0.00 0.00 179.01 177.47 1n54 n ASN 767 N -5.38 0.42 0.03 1.04 3.02 -1.21 -4.29 115.26 108.89 1n54 n ASN 767 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1n54 n ASN 767 Cb 0.34 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1n54 n ASN 767 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n54 n LEU 768 N -1.55 0.37 0.14 3.41 4.77 0.09 -4.88 117.00 119.36 1n54 n LEU 768 Ca 0.06 0.08 0.06 0.00 -0.03 0.00 0.00 56.01 56.18 1n54 n LEU 768 Cb 0.34 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1n54 n LEU 768 CO 0.34 -0.35 0.39 -0.07 -1.33 0.00 0.00 177.39 176.37 1n54 h LEU 769 N 0.00 0.00 -6.80 2.23 3.38 -1.17 -3.41 115.31 109.54 1n54 h LEU 769 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1n54 h LEU 769 Cb 0.52 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.87 1n54 h LEU 769 CO 0.00 0.28 -0.79 -0.36 0.09 0.00 0.00 178.44 177.66 1n54 s PHE 770 N -3.09 1.41 0.49 1.13 0.40 -0.11 -5.02 117.98 113.18 1n54 s PHE 770 Ca 0.03 -2.07 0.03 0.00 -0.60 0.00 0.00 56.93 54.32 1n54 s PHE 770 Cb 0.07 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1n54 s PHE 770 CO 0.74 -0.80 0.02 0.95 0.70 0.00 0.00 175.22 176.83 1n54 s THR 771 N 0.66 1.39 0.15 0.64 -4.23 -1.26 -4.59 115.64 108.41 1n54 s THR 771 Ca 0.18 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 1n54 s THR 771 Cb -0.23 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 1n54 s THR 771 CO 0.00 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 175.63 1n54 h ALA 772 N 1.42 -0.57 -0.77 3.99 0.00 -1.98 -1.30 119.26 120.05 1n54 h ALA 772 Ca -0.44 0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.78 1n54 h ALA 772 Cb 1.30 1.23 -0.03 0.00 0.00 0.00 0.00 17.79 20.28 1n54 h ALA 772 CO 0.75 -0.97 0.94 1.05 0.00 0.00 0.00 179.25 181.02 1n54 h GLU 773 N -0.17 0.00 -6.68 0.00 9.09 -2.02 -3.40 114.58 111.40 1n54 h GLU 773 Ca 0.14 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.03 1n54 h GLU 773 Cb 0.50 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.64 1n54 h GLU 773 CO -0.79 0.00 0.68 -0.51 0.05 0.00 0.00 179.01 178.44 1n54 s LEU 774 N -6.68 4.40 0.31 3.06 1.02 -0.49 -4.93 118.68 115.38 1n54 s LEU 774 Ca -0.03 2.45 -0.26 0.00 0.02 0.00 0.00 54.13 56.31 1n54 s LEU 774 Cb 0.14 -3.61 -0.14 0.00 0.02 0.00 0.00 46.19 42.60 1n54 s LEU 774 CO 0.47 -0.58 0.72 -0.67 0.02 0.00 0.00 176.35 176.31 1n54 n ASP 775 N 2.72 -0.12 0.09 2.29 -0.08 -1.26 -4.65 116.55 115.54 1n54 n ASP 775 Ca 0.07 1.07 0.05 0.00 -1.51 0.00 0.00 54.79 54.47 1n54 n ASP 775 Cb 0.42 -1.14 0.50 0.00 2.34 0.00 0.00 41.12 43.24 1n54 n ASP 775 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1n54 h PRO 776 N 1.32 0.35 -0.51 -0.67 0.13 -1.91 -2.33 132.00 128.37 1n54 h PRO 776 Ca -0.37 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1n54 h PRO 776 Cb 1.39 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1n54 h PRO 776 CO 0.56 0.24 0.26 0.45 -0.23 0.00 0.00 178.00 179.28 1n54 h HIS 777 N 0.36 0.69 0.00 1.56 3.86 -2.00 -0.74 115.15 118.88 1n54 h HIS 777 Ca 0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1n54 h HIS 777 Cb -0.03 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1n54 h HIS 777 CO 0.00 0.50 0.00 -0.89 0.86 0.00 0.00 177.93 178.40 1n54 n ILE 778 N -4.39 0.00 -0.29 2.45 5.41 -1.05 -3.98 119.36 117.51 1n54 n ILE 778 Ca 0.04 0.43 0.27 0.00 1.00 0.00 0.00 62.75 64.50 1n54 n ILE 778 Cb 0.11 -1.30 0.49 0.00 -0.71 0.00 0.00 39.64 38.23 1n54 n ILE 778 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1n54 n LEU 779 N -1.80 0.24 -0.28 1.39 0.00 -0.90 0.56 117.00 116.20 1n54 n LEU 779 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 56.01 57.19 1n54 n LEU 779 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 43.42 42.80 1n54 n LEU 779 CO 0.00 -1.38 0.57 0.00 0.00 0.00 0.00 177.39 176.59 1n54 h ALA 780 N 1.47 -0.17 -0.61 1.96 0.00 -1.25 -0.28 119.26 120.37 1n54 h ALA 780 Ca 0.68 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.84 1n54 h ALA 780 Cb 1.92 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 20.67 1n54 h ALA 780 CO -0.53 -0.76 0.41 0.28 0.00 0.00 0.00 179.25 178.64 1n54 h VAL 781 N -0.13 0.94 -0.16 0.00 2.07 -0.05 0.13 116.25 119.05 1n54 h VAL 781 Ca 0.23 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1n54 h VAL 781 Cb 0.55 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1n54 h VAL 781 CO -0.80 0.09 -0.07 0.15 0.02 0.00 0.00 177.57 176.97 1n54 h PHE 782 N 0.50 0.38 0.00 1.57 3.57 -1.17 0.17 116.94 121.97 1n54 h PHE 782 Ca 0.28 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1n54 h PHE 782 Cb 0.43 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1n54 h PHE 782 CO -0.00 0.64 -0.08 1.96 -2.23 0.00 0.00 178.31 178.60 1n54 h GLN 783 N 0.02 0.00 0.20 1.11 4.20 -0.58 0.05 115.11 120.12 1n54 h GLN 783 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1n54 h GLN 783 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1n54 h GLN 783 CO 0.02 0.08 -0.10 1.96 -0.67 0.00 0.00 178.83 180.12 1n54 h GLN 784 N 0.00 -0.26 -1.00 1.46 4.20 -0.54 -3.11 115.11 115.85 1n54 h GLN 784 Ca -0.00 0.02 0.31 0.00 0.06 0.00 0.00 58.65 59.04 1n54 h GLN 784 Cb 0.42 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.11 1n54 h GLN 784 CO 0.01 -0.08 0.57 0.35 -0.67 0.00 0.00 178.83 179.01 1n54 h PHE 785 N -1.05 0.94 0.00 2.96 3.57 0.14 1.18 116.94 124.69 1n54 h PHE 785 Ca -0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1n54 h PHE 785 Cb 0.31 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1n54 h PHE 785 CO 0.02 -0.15 -0.11 0.00 -2.23 0.00 0.00 178.31 175.84 1n54 h ALA 787 N 1.89 1.00 -0.25 0.00 0.00 0.15 -2.93 119.26 119.12 1n54 h ALA 787 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1n54 h ALA 787 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n54 h ALA 787 CO 0.01 0.00 -0.41 -0.07 0.00 0.00 0.00 179.25 178.78 1n54 h LEU 788 N 0.00 0.80 -3.68 0.00 3.38 -1.55 -3.26 115.31 110.99 1n54 h LEU 788 Ca 0.00 -0.52 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 1n54 h LEU 788 Cb 0.25 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 40.54 1n54 h LEU 788 CO 0.00 1.17 0.21 0.00 0.09 0.00 0.00 178.44 179.91 1n54 n GLN 789 N -4.18 2.24 0.00 1.13 1.13 -1.11 -4.42 117.38 112.17 1n54 n GLN 789 Ca -0.05 -3.24 0.00 0.00 -1.94 0.00 0.00 57.00 51.77 1n54 n GLN 789 Cb 0.55 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1n54 n GLN 789 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62