#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab4 n GLY 31 N 0.00 -1.05 0.23 7.63 0.00 -1.26 -4.06 105.19 106.68 1ab4 n GLY 31 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1ab4 n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ab4 h ARG 32 N 0.00 0.37 -0.15 1.61 3.08 -2.01 -3.19 114.38 114.10 1ab4 h ARG 32 Ca -0.28 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 1ab4 h ARG 32 Cb 1.68 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.70 1ab4 h ARG 32 CO 0.02 0.59 -0.41 0.00 -1.07 0.00 0.00 179.97 179.11 1ab4 h ALA 33 N 1.42 0.25 -2.89 0.04 0.00 -1.91 -3.46 119.26 112.71 1ab4 h ALA 33 Ca 0.05 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 53.85 1ab4 h ALA 33 Cb 0.60 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1ab4 h ALA 33 CO 0.04 0.36 -0.52 -0.51 0.00 0.00 0.00 179.25 178.62 1ab4 s LEU 34 N -8.73 4.21 0.52 0.00 1.43 -1.21 -4.83 118.68 110.08 1ab4 s LEU 34 Ca -0.13 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1ab4 s LEU 34 Cb 0.06 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1ab4 s LEU 34 CO 0.82 0.29 0.88 -2.16 0.23 0.00 0.00 176.35 176.41 1ab4 s PRO 35 N -1.71 3.60 -0.30 1.29 0.04 -1.26 -4.73 135.00 131.94 1ab4 s PRO 35 Ca 0.24 0.45 -0.19 0.00 0.04 0.00 0.00 61.00 61.54 1ab4 s PRO 35 Cb -0.12 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1ab4 s PRO 35 CO 0.15 -0.32 0.55 0.34 0.04 0.00 0.00 177.00 177.76 1ab4 s ASP 36 N -4.00 6.43 0.36 6.66 -1.08 -1.03 0.91 116.67 124.91 1ab4 s ASP 36 Ca 0.51 0.36 0.17 0.00 -0.52 0.00 0.00 52.55 53.07 1ab4 s ASP 36 Cb -0.11 -2.29 1.17 0.00 -1.46 0.00 0.00 42.92 40.23 1ab4 s ASP 36 CO 0.46 -0.40 1.65 -0.37 0.52 0.00 0.00 175.17 177.03 1ab4 h VAL 37 N 5.50 0.24 0.48 1.11 -1.51 -1.78 1.06 116.25 121.36 1ab4 h VAL 37 Ca -0.28 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1ab4 h VAL 37 Cb 1.13 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1ab4 h VAL 37 CO 0.76 0.05 -0.33 0.03 -1.23 0.00 0.00 177.57 176.85 1ab4 h ARG 38 N 0.25 -0.76 0.00 5.19 3.08 -1.87 -3.36 114.38 116.92 1ab4 h ARG 38 Ca 0.76 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.86 1ab4 h ARG 38 Cb 1.85 0.17 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1ab4 h ARG 38 CO -0.61 -0.50 -0.64 -0.40 -1.07 0.00 0.00 179.97 176.75 1ab4 n ASP 39 N -5.46 0.73 -0.73 7.04 5.75 -0.81 -4.66 116.55 118.41 1ab4 n ASP 39 Ca -0.11 -0.68 -0.09 0.00 -0.01 0.00 0.00 54.79 53.89 1ab4 n ASP 39 Cb 0.35 1.06 -0.04 0.00 -1.03 0.00 0.00 41.12 41.46 1ab4 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ab4 n GLY 40 N 1.33 1.11 3.67 6.12 0.00 0.36 -4.20 105.19 113.57 1ab4 n GLY 40 Ca 0.02 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1ab4 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ab4 s LEU 41 N -2.16 3.00 0.39 0.99 1.43 -1.26 -4.69 118.68 116.38 1ab4 s LEU 41 Ca 0.00 -1.15 0.08 0.00 -1.03 0.00 0.00 54.13 52.03 1ab4 s LEU 41 Cb 0.00 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1ab4 s LEU 41 CO 0.00 -0.43 0.22 -0.54 0.23 0.00 0.00 176.35 175.83 1ab4 s LYS 42 N -3.79 2.35 0.28 1.70 1.02 -1.26 -2.47 119.74 117.56 1ab4 s LYS 42 Ca 0.37 -1.68 0.01 0.00 0.02 0.00 0.00 55.97 54.69 1ab4 s LYS 42 Cb 0.05 -2.14 0.68 0.00 -0.52 0.00 0.00 37.83 35.90 1ab4 s LYS 42 CO 0.20 -0.08 1.66 -1.35 -0.92 0.00 0.00 175.35 174.86 1ab4 h PRO 43 N 1.35 0.23 0.61 -1.68 0.11 -1.88 -1.83 132.00 128.92 1ab4 h PRO 43 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1ab4 h PRO 43 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ab4 h PRO 43 CO 0.65 0.15 -0.47 0.28 -0.21 0.00 0.00 178.00 178.41 1ab4 h VAL 44 N 0.24 0.07 -0.48 3.15 2.07 -1.95 0.05 116.25 119.41 1ab4 h VAL 44 Ca 0.54 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.15 1ab4 h VAL 44 Cb 1.06 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1ab4 h VAL 44 CO -0.62 0.00 -0.02 0.45 0.02 0.00 0.00 177.57 177.40 1ab4 h HIS 45 N -1.04 -0.07 -0.21 1.57 3.86 -1.81 0.28 115.15 117.73 1ab4 h HIS 45 Ca -0.08 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1ab4 h HIS 45 Cb 0.87 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 1ab4 h HIS 45 CO -0.17 -0.13 0.05 -0.09 0.86 0.00 0.00 177.93 178.45 1ab4 h ARG 46 N 0.09 0.13 -0.27 2.45 2.43 -1.17 -0.48 114.38 117.55 1ab4 h ARG 46 Ca 0.24 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1ab4 h ARG 46 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ab4 h ARG 46 CO -0.42 0.08 0.15 0.00 -1.51 0.00 0.00 179.97 178.28 1ab4 h ARG 47 N 0.13 0.31 0.25 0.20 3.08 0.05 0.42 114.38 118.82 1ab4 h ARG 47 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ab4 h ARG 47 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ab4 h ARG 47 CO -0.12 0.20 -0.18 0.28 -1.07 0.00 0.00 179.97 179.09 1ab4 h VAL 48 N 0.32 0.62 -0.56 2.04 2.07 -0.18 -0.61 116.25 119.95 1ab4 h VAL 48 Ca 0.11 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 1ab4 h VAL 48 Cb 0.00 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1ab4 h VAL 48 CO -0.05 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.51 1ab4 h LEU 49 N -0.43 0.93 -0.37 2.57 3.38 -0.93 -2.23 115.31 118.23 1ab4 h LEU 49 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1ab4 h LEU 49 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ab4 h LEU 49 CO 0.00 0.99 0.18 0.22 0.09 0.00 0.00 178.44 179.92 1ab4 h TYR 50 N 0.85 0.34 -0.65 1.13 3.20 -0.02 -1.13 116.97 120.69 1ab4 h TYR 50 Ca 0.16 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1ab4 h TYR 50 Cb 0.48 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1ab4 h TYR 50 CO 0.04 0.18 0.40 0.00 -1.64 0.00 0.00 178.16 177.13 1ab4 h ALA 51 N 1.20 0.85 -0.74 1.82 0.00 -0.96 -0.86 119.26 120.57 1ab4 h ALA 51 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ab4 h ALA 51 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ab4 h ALA 51 CO -0.11 0.15 0.49 0.52 0.00 0.00 0.00 179.25 180.29 1ab4 h MET 52 N 0.78 0.93 -0.47 0.00 2.86 -0.79 -0.19 114.93 118.05 1ab4 h MET 52 Ca 0.26 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1ab4 h MET 52 Cb 0.03 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1ab4 h MET 52 CO -0.11 0.62 0.03 -0.97 1.06 0.00 0.00 176.91 177.54 1ab4 h ASN 53 N 0.96 0.78 0.49 1.22 -0.00 -0.13 -1.44 115.58 117.46 1ab4 h ASN 53 Ca 0.28 -0.29 -0.09 0.00 -0.00 0.00 0.00 56.30 56.20 1ab4 h ASN 53 Cb -0.06 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.04 1ab4 h ASN 53 CO -0.07 0.88 -0.41 0.58 -0.00 0.00 0.00 177.43 178.41 1ab4 h VAL 54 N 0.66 1.20 -0.00 2.57 2.07 -0.51 -2.62 116.25 119.63 1ab4 h VAL 54 Ca 0.14 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1ab4 h VAL 54 Cb 0.46 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1ab4 h VAL 54 CO 0.02 0.40 -0.01 0.18 0.02 0.00 0.00 177.57 178.18 1ab4 n LEU 55 N -3.93 0.05 -1.80 2.57 4.77 -0.15 -4.88 117.00 113.65 1ab4 n LEU 55 Ca -0.02 0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1ab4 n LEU 55 Cb 0.45 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1ab4 n LEU 55 CO 0.39 0.01 -0.21 0.61 -1.33 0.00 0.00 177.39 176.85 1ab4 n GLY 56 N 1.15 0.86 2.56 -0.72 0.00 -0.99 -4.84 105.19 103.22 1ab4 n GLY 56 Ca 0.19 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1ab4 n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ab4 n ASN 57 N -1.37 6.08 -4.90 1.61 5.15 -0.58 -4.88 115.26 116.36 1ab4 n ASN 57 Ca -0.21 -2.56 -0.28 0.00 -0.60 0.00 0.00 54.58 50.93 1ab4 n ASN 57 Cb 0.65 -1.40 0.06 0.00 -0.53 0.00 0.00 39.78 38.56 1ab4 n ASN 57 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ab4 s ASP 58 N 3.03 5.14 0.31 1.20 1.01 -1.26 -1.25 116.67 124.85 1ab4 s ASP 58 Ca 0.56 0.85 0.14 0.00 0.71 0.00 0.00 52.55 54.80 1ab4 s ASP 58 Cb 0.15 -1.58 0.48 0.00 1.01 0.00 0.00 42.92 42.98 1ab4 s ASP 58 CO -0.04 -1.47 1.66 4.11 0.21 0.00 0.00 175.17 179.64 1ab4 h TRP 59 N -0.65 0.00 0.00 4.23 5.08 -1.88 -3.02 115.95 119.71 1ab4 h TRP 59 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1ab4 h TRP 59 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 1ab4 h TRP 59 CO 0.42 0.52 -0.43 0.27 -1.28 0.00 0.00 178.44 177.93 1ab4 n ASN 60 N -3.68 0.46 -4.96 0.11 6.94 -1.26 -4.88 115.26 107.98 1ab4 n ASN 60 Ca -0.01 -0.03 -0.19 0.00 -0.02 0.00 0.00 54.58 54.33 1ab4 n ASN 60 Cb 0.57 0.08 0.04 0.00 -2.36 0.00 0.00 39.78 38.12 1ab4 n ASN 60 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ab4 s LYS 61 N -3.04 2.50 0.75 -3.83 3.01 -1.14 -5.09 119.74 112.91 1ab4 s LYS 61 Ca 0.10 -1.17 -0.11 0.00 -1.01 0.00 0.00 55.97 53.78 1ab4 s LYS 61 Cb 0.17 -2.61 0.05 0.00 -1.01 0.00 0.00 37.83 34.43 1ab4 s LYS 61 CO 0.67 -0.66 1.10 0.00 0.51 0.00 0.00 175.35 176.97 1ab4 s ALA 62 N -2.63 2.28 0.83 5.17 0.00 -1.26 -4.82 121.76 121.34 1ab4 s ALA 62 Ca 0.58 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1ab4 s ALA 62 Cb -0.09 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.84 1ab4 s ALA 62 CO 0.37 -1.69 1.10 0.71 0.00 0.00 0.00 175.76 176.25 1ab4 s TYR 63 N -2.80 2.30 0.12 0.00 2.02 -1.26 -4.80 117.35 112.94 1ab4 s TYR 63 Ca 0.62 1.55 0.05 0.00 -0.37 0.00 0.00 57.07 58.93 1ab4 s TYR 63 Cb -0.18 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1ab4 s TYR 63 CO 0.53 -2.16 -0.13 0.15 -1.57 0.00 0.00 175.55 172.38 1ab4 s LYS 64 N -4.84 1.01 0.32 -0.62 1.02 -0.42 -4.89 119.74 111.32 1ab4 s LYS 64 Ca 0.63 -1.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 1ab4 s LYS 64 Cb -0.19 -0.83 -0.10 0.00 -0.52 0.00 0.00 37.83 36.19 1ab4 s LYS 64 CO 0.57 0.15 1.22 0.15 -0.92 0.00 0.00 175.35 176.52 1ab4 s LYS 65 N -2.84 4.43 0.42 1.68 3.01 -1.26 -0.28 119.74 124.90 1ab4 s LYS 65 Ca 0.10 2.04 0.13 0.00 -1.01 0.00 0.00 55.97 57.23 1ab4 s LYS 65 Cb -0.04 -3.08 1.00 0.00 -1.01 0.00 0.00 37.83 34.70 1ab4 s LYS 65 CO 0.02 -0.06 1.96 0.77 0.51 0.00 0.00 175.35 178.56 1ab4 h SER 66 N 3.47 0.41 -0.75 2.83 0.02 -0.73 -0.65 113.55 118.16 1ab4 h SER 66 Ca -0.48 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1ab4 h SER 66 Cb 1.22 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 1ab4 h SER 66 CO 0.66 0.24 0.39 0.00 -1.14 0.00 0.00 176.83 176.98 1ab4 h ALA 67 N 1.67 1.05 -0.55 3.77 0.00 -1.57 0.10 119.26 123.73 1ab4 h ALA 67 Ca 0.31 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1ab4 h ALA 67 Cb 0.59 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1ab4 h ALA 67 CO -0.09 -0.01 0.22 -0.09 0.00 0.00 0.00 179.25 179.27 1ab4 h ARG 68 N 0.65 0.40 -0.04 0.00 9.65 -1.42 -0.32 114.38 123.30 1ab4 h ARG 68 Ca 0.37 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.12 1ab4 h ARG 68 Cb 0.38 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1ab4 h ARG 68 CO -0.27 0.27 -0.38 0.28 2.80 0.00 0.00 179.97 182.67 1ab4 h VAL 69 N 0.41 1.44 0.42 0.20 2.07 -1.30 -2.91 116.25 116.59 1ab4 h VAL 69 Ca 0.27 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1ab4 h VAL 69 Cb 0.29 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1ab4 h VAL 69 CO -0.26 0.53 -0.43 0.58 0.02 0.00 0.00 177.57 178.01 1ab4 h VAL 70 N -0.19 0.13 -0.49 2.57 2.07 -0.64 -0.55 116.25 119.15 1ab4 h VAL 70 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1ab4 h VAL 70 Cb 1.06 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1ab4 h VAL 70 CO 0.08 0.00 0.35 1.23 0.02 0.00 0.00 177.57 179.25 1ab4 h GLY 71 N -0.87 0.01 1.53 2.17 0.00 -1.17 0.33 103.07 105.07 1ab4 h GLY 71 Ca -0.04 -0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1ab4 h GLY 71 CO -0.07 0.00 -0.69 -1.80 0.00 0.00 0.00 176.54 173.98 1ab4 h ASP 72 N 0.00 0.54 -0.02 0.19 3.58 -1.16 -2.48 116.42 117.08 1ab4 h ASP 72 Ca 0.23 -0.34 -0.15 0.00 0.42 0.00 0.00 57.03 57.20 1ab4 h ASP 72 Cb 0.94 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.84 1ab4 h ASP 72 CO -0.00 1.07 -0.57 0.58 -2.88 0.00 0.00 179.24 177.44 1ab4 h VAL 73 N 0.33 1.42 -0.79 2.25 2.07 0.11 -2.46 116.25 119.17 1ab4 h VAL 73 Ca -0.02 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.47 1ab4 h VAL 73 Cb 1.25 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.50 1ab4 h VAL 73 CO 0.12 0.59 0.49 0.40 0.02 0.00 0.00 177.57 179.19 1ab4 h ILE 74 N -0.07 1.22 0.00 4.57 5.03 -0.71 0.42 117.51 127.97 1ab4 h ILE 74 Ca -0.07 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1ab4 h ILE 74 Cb 1.27 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 1ab4 h ILE 74 CO 0.11 0.22 -0.51 1.23 -0.68 0.00 0.00 178.15 178.53 1ab4 h GLY 75 N 1.11 0.00 0.00 5.37 0.00 -1.50 -2.97 103.07 105.08 1ab4 h GLY 75 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ab4 h GLY 75 CO -0.06 0.00 -0.85 0.28 0.00 0.00 0.00 176.54 175.92 1ab4 n LYS 76 N -2.21 2.15 0.03 4.80 5.02 -0.93 -4.99 118.16 122.02 1ab4 n LYS 76 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ab4 n LYS 76 Cb 0.45 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1ab4 n LYS 76 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ab4 n TYR 77 N -1.52 -0.38 -3.79 2.13 4.01 -0.09 -4.68 117.16 112.85 1ab4 n TYR 77 Ca 0.00 0.07 -0.28 0.00 -0.16 0.00 0.00 57.90 57.53 1ab4 n TYR 77 Cb 0.21 0.24 -0.11 0.00 -0.31 0.00 0.00 39.34 39.37 1ab4 n TYR 77 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1ab4 n HIS 78 N -3.00 2.68 -1.00 -0.72 -0.00 0.13 -4.64 115.22 108.67 1ab4 n HIS 78 Ca 0.00 -4.16 -0.21 0.00 0.46 0.00 0.00 57.72 53.81 1ab4 n HIS 78 Cb 0.19 -0.50 -0.09 0.00 -0.12 0.00 0.00 29.99 29.46 1ab4 n HIS 78 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1ab4 n PRO 79 N 1.97 2.42 -3.17 1.57 -0.04 -1.12 -3.79 135.00 132.84 1ab4 n PRO 79 Ca 0.22 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 62.06 1ab4 n PRO 79 Cb 0.37 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 1ab4 n PRO 79 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ab4 n HIS 80 N 3.10 2.42 -1.15 0.54 8.25 -1.26 -5.06 115.22 122.06 1ab4 n HIS 80 Ca 0.52 -3.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.04 1ab4 n HIS 80 Cb 0.53 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1ab4 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ab4 n GLY 81 N 0.45 -4.40 0.31 -1.41 0.00 -1.26 -4.55 105.19 94.33 1ab4 n GLY 81 Ca 0.28 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1ab4 n GLY 81 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ab4 h ASP 82 N 1.91 0.43 0.20 1.61 2.03 -1.96 -3.06 116.42 117.58 1ab4 h ASP 82 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1ab4 h ASP 82 Cb 0.00 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 1ab4 h ASP 82 CO 0.00 0.31 -0.20 0.77 -1.03 0.00 0.00 179.24 179.09 1ab4 h SER 83 N 0.51 -0.54 0.12 4.15 4.64 -1.99 -0.28 113.55 120.15 1ab4 h SER 83 Ca 0.14 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1ab4 h SER 83 Cb -0.05 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1ab4 h SER 83 CO -0.03 -0.30 -0.32 0.00 -0.87 0.00 0.00 176.83 175.31 1ab4 h ALA 84 N 0.31 -0.54 -0.39 5.18 0.00 -1.77 -1.30 119.26 120.75 1ab4 h ALA 84 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ab4 h ALA 84 Cb 0.41 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1ab4 h ALA 84 CO -0.05 -0.86 0.12 0.28 0.00 0.00 0.00 179.25 178.74 1ab4 h VAL 85 N -0.54 0.86 -0.96 0.00 2.07 -1.52 -2.19 116.25 113.97 1ab4 h VAL 85 Ca 0.03 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1ab4 h VAL 85 Cb 0.57 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1ab4 h VAL 85 CO -0.19 0.05 0.63 0.22 0.02 0.00 0.00 177.57 178.30 1ab4 h TYR 86 N 0.28 1.18 -0.26 1.57 3.20 -0.76 -0.94 116.97 121.23 1ab4 h TYR 86 Ca 0.18 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ab4 h TYR 86 Cb 0.18 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1ab4 h TYR 86 CO -0.16 0.67 0.14 -0.44 -1.64 0.00 0.00 178.16 176.73 1ab4 h ASP 87 N 1.20 0.31 0.14 -2.11 3.32 -0.63 0.13 116.42 118.79 1ab4 h ASP 87 Ca 0.39 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1ab4 h ASP 87 Cb 0.03 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1ab4 h ASP 87 CO -0.13 0.25 -0.07 0.74 -1.72 0.00 0.00 179.24 178.31 1ab4 h THR 88 N 0.35 1.01 -0.96 0.35 2.02 -0.79 -1.16 112.91 113.74 1ab4 h THR 88 Ca 0.09 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.53 1ab4 h THR 88 Cb 0.01 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 1ab4 h THR 88 CO -0.02 0.19 0.60 0.40 0.37 0.00 0.00 175.52 177.07 1ab4 h ILE 89 N -0.60 0.99 0.20 3.11 2.04 -0.74 -2.33 117.51 120.18 1ab4 h ILE 89 Ca -0.02 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1ab4 h ILE 89 Cb 0.46 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1ab4 h ILE 89 CO 0.03 0.19 -0.10 0.58 0.00 0.00 0.00 178.15 178.85 1ab4 h VAL 90 N 1.03 0.88 -0.37 1.67 2.07 -0.68 -3.07 116.25 117.78 1ab4 h VAL 90 Ca 0.44 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1ab4 h VAL 90 Cb 0.31 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1ab4 h VAL 90 CO -0.22 0.10 0.25 -0.09 0.02 0.00 0.00 177.57 177.63 1ab4 h ARG 91 N -0.48 0.27 0.00 1.57 2.43 -0.84 0.10 114.38 117.43 1ab4 h ARG 91 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ab4 h ARG 91 Cb 0.37 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ab4 h ARG 91 CO 0.05 0.18 0.00 -1.33 -1.51 0.00 0.00 179.97 177.35 1ab4 n MET 92 N -4.48 0.38 -0.08 0.20 2.81 -0.91 -3.39 117.12 111.65 1ab4 n MET 92 Ca 0.04 0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.90 1ab4 n MET 92 Cb 0.24 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.10 1ab4 n MET 92 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ab4 n ALA 93 N -1.29 1.74 -2.17 3.04 0.00 0.31 -1.49 120.51 120.65 1ab4 n ALA 93 Ca 0.13 -1.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1ab4 n ALA 93 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 1ab4 n ALA 93 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ab4 s GLN 94 N -2.62 4.21 0.47 0.00 -0.21 -0.98 -4.65 119.66 115.87 1ab4 s GLN 94 Ca -0.09 1.99 0.32 0.00 0.02 0.00 0.00 55.36 57.60 1ab4 s GLN 94 Cb 0.07 -3.87 1.60 0.00 1.00 0.00 0.00 33.01 31.81 1ab4 s GLN 94 CO 0.79 -0.78 1.97 -1.35 -2.12 0.00 0.00 175.29 173.81 1ab4 h PRO 95 N 8.94 0.00 -0.00 2.91 0.11 -1.90 -1.49 132.00 140.56 1ab4 h PRO 95 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ab4 h PRO 95 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ab4 h PRO 95 CO 0.96 0.00 -0.73 1.97 -0.21 0.00 0.00 178.00 179.98 1ab4 n PHE 96 N -2.69 0.00 -0.12 0.65 -1.74 -1.26 -4.27 117.46 108.03 1ab4 n PHE 96 Ca -0.01 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.72 1ab4 n PHE 96 Cb 0.13 -0.12 -0.13 0.00 1.52 0.00 0.00 39.48 40.88 1ab4 n PHE 96 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1ab4 n SER 97 N -1.45 1.55 -4.35 5.98 7.64 -0.63 -4.68 113.62 117.67 1ab4 n SER 97 Ca 0.05 -0.10 -0.32 0.00 1.01 0.00 0.00 58.87 59.51 1ab4 n SER 97 Cb 0.34 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.33 1ab4 n SER 97 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ab4 s LEU 98 N -6.22 2.38 0.34 -3.43 1.43 -0.77 -4.99 118.68 107.42 1ab4 s LEU 98 Ca -0.28 -0.38 0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1ab4 s LEU 98 Cb 0.08 -1.47 0.61 0.00 0.03 0.00 0.00 46.19 45.44 1ab4 s LEU 98 CO 0.64 0.27 1.77 -0.09 0.23 0.00 0.00 176.35 179.17 1ab4 h ARG 99 N 5.92 0.08 -2.39 1.70 9.65 -1.84 -3.37 114.38 124.14 1ab4 h ARG 99 Ca -0.36 -0.03 -0.46 0.00 -1.10 0.00 0.00 59.98 58.03 1ab4 h ARG 99 Cb 1.17 -0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 29.39 1ab4 h ARG 99 CO 0.50 0.47 -0.75 0.71 2.80 0.00 0.00 179.97 183.69 1ab4 s TYR 100 N -4.14 0.11 0.26 2.20 2.02 -1.26 -4.91 117.35 111.63 1ab4 s TYR 100 Ca -0.03 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.43 1ab4 s TYR 100 Cb 0.14 -0.69 -0.14 0.00 -0.40 0.00 0.00 41.96 40.88 1ab4 s TYR 100 CO 0.74 -0.88 1.29 -1.33 -1.57 0.00 0.00 175.55 173.80 1ab4 n MET 101 N 4.66 1.82 0.05 -0.62 2.81 -1.26 -4.93 117.12 119.66 1ab4 n MET 101 Ca 0.04 0.65 0.05 0.00 -1.81 0.00 0.00 57.70 56.63 1ab4 n MET 101 Cb 0.42 -2.22 -0.07 0.00 -0.71 0.00 0.00 33.22 30.64 1ab4 n MET 101 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ab4 n LEU 102 N 1.72 0.68 -4.18 4.03 4.77 -0.85 -4.73 117.00 118.45 1ab4 n LEU 102 Ca 0.10 0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 1ab4 n LEU 102 Cb 0.31 0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1ab4 n LEU 102 CO 0.62 0.01 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.46 1ab4 s VAL 103 N -3.16 1.93 -0.72 4.08 1.01 -0.56 -1.85 120.40 121.14 1ab4 s VAL 103 Ca -0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1ab4 s VAL 103 Cb 0.10 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.87 1ab4 s VAL 103 CO 0.82 0.53 0.98 -0.62 0.00 0.00 0.00 175.10 176.81 1ab4 s ASP 104 N 0.53 6.28 -0.08 3.32 -1.08 0.54 -4.04 116.67 122.13 1ab4 s ASP 104 Ca -0.15 -1.28 -0.08 0.00 -0.52 0.00 0.00 52.55 50.53 1ab4 s ASP 104 Cb -0.17 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1ab4 s ASP 104 CO 0.05 -1.33 0.19 -0.83 0.52 0.00 0.00 175.17 173.78 1ab4 s GLY 105 N 3.68 2.22 -0.33 2.66 0.00 -1.26 -1.78 107.32 112.51 1ab4 s GLY 105 Ca 0.24 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1ab4 s GLY 105 CO 0.05 -0.32 0.05 1.62 0.00 0.00 0.00 173.10 174.50 1ab4 s GLN 106 N -1.15 1.42 0.00 2.90 0.74 0.34 -4.98 119.66 118.92 1ab4 s GLN 106 Ca 0.18 -1.74 0.00 0.00 0.05 0.00 0.00 55.36 53.85 1ab4 s GLN 106 Cb -0.13 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1ab4 s GLN 106 CO 0.07 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 1ab4 n GLY 107 N 4.34 0.68 3.56 2.59 0.00 -1.26 -2.23 105.19 112.87 1ab4 n GLY 107 Ca 0.02 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1ab4 n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ab4 s ASN 108 N -4.00 6.35 -0.28 1.61 3.04 -1.26 -4.78 114.94 115.61 1ab4 s ASN 108 Ca 0.00 -1.02 0.12 0.00 0.04 0.00 0.00 52.86 51.99 1ab4 s ASN 108 Cb 0.00 -2.57 0.76 0.00 -1.54 0.00 0.00 41.25 37.91 1ab4 s ASN 108 CO 0.00 -1.66 1.76 0.49 -3.04 0.00 0.00 177.10 174.66 1ab4 n PHE 109 N 9.13 2.22 0.00 0.43 3.01 -1.26 0.12 117.46 131.10 1ab4 n PHE 109 Ca 0.20 -1.02 0.00 0.00 1.01 0.00 0.00 57.45 57.64 1ab4 n PHE 109 Cb 0.50 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1ab4 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ab4 n GLY 110 N 0.09 -0.08 3.52 1.37 0.00 -1.26 -4.48 105.19 104.35 1ab4 n GLY 110 Ca 0.35 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1ab4 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ab4 s SER 111 N -1.00 0.18 0.00 1.61 1.04 -1.08 -4.95 113.70 109.50 1ab4 s SER 111 Ca 0.00 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.37 1ab4 s SER 111 Cb 0.00 0.58 0.39 0.00 0.10 0.00 0.00 66.02 67.10 1ab4 s SER 111 CO 0.00 -1.15 0.97 -0.38 0.98 0.00 0.00 173.24 173.66 1ab4 n ILE 112 N -0.41 0.39 -0.98 -1.02 -0.00 -1.26 -1.96 119.36 114.12 1ab4 n ILE 112 Ca -0.01 0.10 0.06 0.00 -0.00 0.00 0.00 62.75 62.90 1ab4 n ILE 112 Cb 0.62 -0.98 0.33 0.00 -0.00 0.00 0.00 39.64 39.61 1ab4 n ILE 112 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1ab4 n ASP 113 N -1.13 4.73 0.00 4.38 8.00 -1.26 -1.68 116.55 129.60 1ab4 n ASP 113 Ca 0.04 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1ab4 n ASP 113 Cb 0.04 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1ab4 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab4 n GLY 114 N -0.02 0.82 3.67 0.44 0.00 -0.83 -4.73 105.19 104.55 1ab4 n GLY 114 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 1ab4 n GLY 114 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab4 n ASP 115 N 0.00 3.76 -4.80 1.61 8.00 -1.23 -4.88 116.55 119.02 1ab4 n ASP 115 Ca 0.00 0.96 -0.34 0.00 0.71 0.00 0.00 54.79 56.11 1ab4 n ASP 115 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 39.60 1ab4 n ASP 115 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ab4 s SER 116 N 3.83 6.66 0.96 -2.24 0.01 -1.26 -2.65 113.70 119.01 1ab4 s SER 116 Ca 0.89 1.87 -0.11 0.00 1.31 0.00 0.00 55.95 59.91 1ab4 s SER 116 Cb -0.57 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.26 1ab4 s SER 116 CO 0.45 -0.56 1.09 0.00 0.41 0.00 0.00 173.24 174.64 1ab4 s ALA 117 N -1.95 1.07 1.00 1.44 0.00 -1.26 -4.31 121.76 117.74 1ab4 s ALA 117 Ca 0.63 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1ab4 s ALA 117 Cb -0.15 -3.28 0.19 0.00 0.00 0.00 0.00 23.12 19.87 1ab4 s ALA 117 CO 0.19 -2.80 1.12 0.00 0.00 0.00 0.00 175.76 174.28 1ab4 s ALA 118 N -2.74 1.25 0.68 0.00 0.00 0.31 -4.89 121.76 116.38 1ab4 s ALA 118 Ca 0.65 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1ab4 s ALA 118 Cb -0.21 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1ab4 s ALA 118 CO 0.59 -2.73 1.18 0.00 0.00 0.00 0.00 175.76 174.80 1ab4 s ALA 119 N -3.14 2.31 0.55 0.00 0.00 -1.26 -4.80 121.76 115.43 1ab4 s ALA 119 Ca 0.66 0.84 0.27 0.00 0.00 0.00 0.00 51.96 53.73 1ab4 s ALA 119 Cb -0.15 -3.43 1.68 0.00 0.00 0.00 0.00 23.12 21.22 1ab4 s ALA 119 CO 0.55 -1.54 2.21 0.00 0.00 0.00 0.00 175.76 176.98 1ab4 h MET 120 N 0.10 0.00 -0.00 0.00 -0.00 -1.94 -1.75 114.93 111.34 1ab4 h MET 120 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 1ab4 h MET 120 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 1ab4 h MET 120 CO 0.52 0.02 0.00 2.89 -0.00 0.00 0.00 176.91 180.35 1ab4 n ARG 121 N -3.92 1.01 -0.00 -0.10 1.85 -1.26 -1.59 116.66 112.65 1ab4 n ARG 121 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 57.85 56.80 1ab4 n ARG 121 Cb 0.11 -1.33 -0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1ab4 n ARG 121 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ab4 n TYR 122 N -0.82 0.00 -2.11 2.89 4.01 -0.69 -4.96 117.16 115.48 1ab4 n TYR 122 Ca 0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.51 1ab4 n TYR 122 Cb 0.08 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1ab4 n TYR 122 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ab4 s THR 123 N -2.01 2.74 -0.02 -0.72 -4.23 -1.01 -4.91 115.64 105.48 1ab4 s THR 123 Ca -0.01 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 1ab4 s THR 123 Cb 0.00 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1ab4 s THR 123 CO 0.01 0.09 -0.18 -1.61 -0.54 0.00 0.00 174.62 172.39 1ab4 s GLU 124 N -2.24 2.30 0.21 3.99 2.02 -0.95 -1.07 118.70 122.96 1ab4 s GLU 124 Ca 0.57 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 1ab4 s GLU 124 Cb -0.36 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1ab4 s GLU 124 CO 0.46 0.59 0.16 0.96 0.02 0.00 0.00 175.26 177.45 1ab4 s ILE 125 N -0.76 0.00 -0.20 -1.63 -4.36 0.61 0.12 121.20 114.99 1ab4 s ILE 125 Ca 0.12 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.25 1ab4 s ILE 125 Cb -0.10 -2.48 0.14 0.00 1.25 0.00 0.00 42.46 41.27 1ab4 s ILE 125 CO 0.01 0.00 1.10 0.00 0.24 0.00 0.00 174.94 176.29 1ab4 s ARG 126 N -4.11 0.45 0.09 0.37 1.70 -0.73 -1.30 118.95 115.42 1ab4 s ARG 126 Ca 0.38 0.14 -0.36 0.00 -0.47 0.00 0.00 55.73 55.42 1ab4 s ARG 126 Cb 0.06 0.21 -0.15 0.00 -0.57 0.00 0.00 34.95 34.50 1ab4 s ARG 126 CO 0.13 -0.13 1.49 1.28 -1.08 0.00 0.00 175.30 176.98 1ab4 n LEU 127 N 0.78 2.39 -4.76 -1.89 4.77 -0.38 -0.34 117.00 117.57 1ab4 n LEU 127 Ca -0.08 1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 56.67 1ab4 n LEU 127 Cb 0.58 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.44 1ab4 n LEU 127 CO 0.13 -0.64 0.74 0.00 -1.33 0.00 0.00 177.39 176.29 1ab4 s ALA 128 N 0.97 2.32 0.26 -1.18 0.00 -0.77 -3.25 121.76 120.11 1ab4 s ALA 128 Ca 0.83 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1ab4 s ALA 128 Cb -0.83 -3.34 0.51 0.00 0.00 0.00 0.00 23.12 19.46 1ab4 s ALA 128 CO 0.44 -1.53 1.64 -0.22 0.00 0.00 0.00 175.76 176.09 1ab4 h LYS 129 N -0.30 0.14 0.00 0.00 3.11 -1.90 0.62 116.57 118.24 1ab4 h LYS 129 Ca -0.46 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.34 1ab4 h LYS 129 Cb 1.25 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1ab4 h LYS 129 CO 0.52 0.09 -0.14 0.97 -2.81 0.00 0.00 179.45 178.09 1ab4 h ILE 130 N 0.15 0.33 -0.20 2.00 2.10 -1.91 -3.04 117.51 116.94 1ab4 h ILE 130 Ca 0.45 -0.92 -0.07 0.00 1.08 0.00 0.00 64.86 65.41 1ab4 h ILE 130 Cb 0.83 1.70 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 1ab4 h ILE 130 CO -0.65 0.13 -0.17 0.00 -1.08 0.00 0.00 178.15 176.39 1ab4 h ALA 131 N 1.86 1.34 0.00 0.18 0.00 -1.11 -1.30 119.26 120.23 1ab4 h ALA 131 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1ab4 h ALA 131 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ab4 h ALA 131 CO 0.02 0.45 -0.18 0.45 0.00 0.00 0.00 179.25 179.98 1ab4 h HIS 132 N 0.32 0.00 0.00 0.00 3.86 -1.51 -1.23 115.15 116.59 1ab4 h HIS 132 Ca 0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1ab4 h HIS 132 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1ab4 h HIS 132 CO 0.01 0.18 -0.28 1.49 0.86 0.00 0.00 177.93 180.20 1ab4 h GLU 133 N 0.00 0.00 0.01 2.45 4.57 -1.36 -0.52 114.58 119.74 1ab4 h GLU 133 Ca -0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 1ab4 h GLU 133 Cb 0.45 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1ab4 h GLU 133 CO 0.02 0.28 -0.90 -0.07 -1.18 0.00 0.00 179.01 177.16 1ab4 h LEU 134 N 0.00 0.19 -3.30 1.64 4.07 -1.08 -2.01 115.31 114.82 1ab4 h LEU 134 Ca -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 1ab4 h LEU 134 Cb 0.94 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 1ab4 h LEU 134 CO 0.04 0.99 0.00 0.23 -1.08 0.00 0.00 178.44 178.62 1ab4 n MET 135 N -3.60 3.19 -2.00 1.13 2.81 -1.07 -1.48 117.12 116.09 1ab4 n MET 135 Ca -0.03 -2.89 -0.42 0.00 -1.81 0.00 0.00 57.70 52.54 1ab4 n MET 135 Cb 0.83 -1.91 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1ab4 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ab4 s ALA 136 N -2.83 3.67 -0.19 3.04 0.00 -0.22 -2.18 121.76 123.06 1ab4 s ALA 136 Ca 0.44 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ab4 s ALA 136 Cb 0.35 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1ab4 s ALA 136 CO 0.10 -1.02 0.00 -0.25 0.00 0.00 0.00 175.76 174.59 1ab4 n ASP 137 N 5.35 -3.70 -0.34 0.00 8.00 -1.26 -4.56 116.55 120.04 1ab4 n ASP 137 Ca 0.15 0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.83 1ab4 n ASP 137 Cb 0.41 -1.36 0.35 0.00 -0.02 0.00 0.00 41.12 40.50 1ab4 n ASP 137 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ab4 h LEU 138 N 0.00 0.74 -0.46 0.64 5.85 -1.79 -1.66 115.31 118.63 1ab4 h LEU 138 Ca -0.04 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ab4 h LEU 138 Cb 0.28 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ab4 h LEU 138 CO 0.05 0.28 0.17 -0.08 -0.34 0.00 0.00 178.44 178.52 1ab4 h GLU 139 N 0.73 0.69 -1.92 1.25 4.57 -1.91 -3.32 114.58 114.67 1ab4 h GLU 139 Ca 0.56 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1ab4 h GLU 139 Cb 0.92 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1ab4 h GLU 139 CO -0.34 0.64 0.00 1.63 -1.18 0.00 0.00 179.01 179.76 1ab4 n LYS 140 N -4.57 0.31 -4.35 1.92 4.76 -0.63 -4.73 118.16 110.87 1ab4 n LYS 140 Ca 0.01 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 1ab4 n LYS 140 Cb 0.16 -1.35 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 1ab4 n LYS 140 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ab4 n GLU 141 N 1.58 -1.15 0.09 1.97 1.02 -1.25 -4.41 120.64 118.49 1ab4 n GLU 141 Ca 0.00 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1ab4 n GLU 141 Cb 0.15 -4.00 0.06 0.00 -0.02 0.00 0.00 31.44 27.63 1ab4 n GLU 141 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ab4 h THR 142 N -1.55 0.00 -3.73 2.62 1.35 -1.75 -3.44 112.91 106.41 1ab4 h THR 142 Ca -0.64 -0.81 -0.27 0.00 -0.55 0.00 0.00 66.41 64.14 1ab4 h THR 142 Cb 1.39 1.34 -0.16 0.00 -1.73 0.00 0.00 68.15 69.00 1ab4 h THR 142 CO 0.75 0.00 -0.71 0.68 -0.25 0.00 0.00 175.52 175.99 1ab4 s VAL 143 N -3.29 0.82 0.53 6.82 -7.23 -1.26 -4.57 120.40 112.23 1ab4 s VAL 143 Ca 0.02 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.20 1ab4 s VAL 143 Cb 0.11 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 1ab4 s VAL 143 CO 0.77 -0.74 1.02 -1.81 -0.31 0.00 0.00 175.10 174.03 1ab4 s ASP 144 N -2.81 6.25 -0.11 4.85 1.01 -1.26 -4.87 116.67 119.73 1ab4 s ASP 144 Ca 0.09 1.76 0.03 0.00 0.71 0.00 0.00 52.55 55.14 1ab4 s ASP 144 Cb 0.02 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1ab4 s ASP 144 CO -0.02 -0.84 -0.19 -0.36 0.21 0.00 0.00 175.17 173.97 1ab4 s PHE 145 N -2.38 2.21 0.23 4.23 0.40 -1.26 0.51 117.98 121.93 1ab4 s PHE 145 Ca 0.63 -1.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 1ab4 s PHE 145 Cb -0.14 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1ab4 s PHE 145 CO 0.29 -0.47 0.25 0.14 0.70 0.00 0.00 175.22 176.14 1ab4 s VAL 146 N 0.74 4.78 0.65 -0.44 -7.23 0.39 -4.82 120.40 114.48 1ab4 s VAL 146 Ca -0.11 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1ab4 s VAL 146 Cb -0.16 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 1ab4 s VAL 146 CO 0.02 -0.30 1.06 -1.81 -0.31 0.00 0.00 175.10 173.75 1ab4 s ASP 147 N -3.78 5.49 0.59 4.85 1.01 -1.26 -0.69 116.67 122.87 1ab4 s ASP 147 Ca 0.33 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1ab4 s ASP 147 Cb -0.09 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1ab4 s ASP 147 CO 0.26 -1.37 0.59 -0.46 0.21 0.00 0.00 175.17 174.41 1ab4 n ASN 148 N -2.65 0.81 -0.24 0.27 2.04 -0.58 -4.80 115.26 110.12 1ab4 n ASN 148 Ca 0.08 -1.68 0.16 0.00 -0.44 0.00 0.00 54.58 52.70 1ab4 n ASN 148 Cb 0.53 -0.38 0.47 0.00 -2.53 0.00 0.00 39.78 37.87 1ab4 n ASN 148 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 1ab4 h TYR 149 N -0.50 0.62 -0.26 -2.53 -0.00 -1.83 -2.48 116.97 109.98 1ab4 h TYR 149 Ca -0.20 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.55 1ab4 h TYR 149 Cb 0.73 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 37.26 1ab4 h TYR 149 CO 0.00 0.19 0.00 -0.40 -0.00 0.00 0.00 178.16 177.95 1ab4 n ASP 150 N -4.53 2.75 -0.83 0.10 5.68 -1.26 -4.99 116.55 113.47 1ab4 n ASP 150 Ca 0.18 -1.83 -0.11 0.00 -0.50 0.00 0.00 54.79 52.54 1ab4 n ASP 150 Cb 0.61 -0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 1ab4 n ASP 150 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ab4 n GLY 151 N 0.77 1.18 0.02 6.12 0.00 -0.94 -4.88 105.19 107.47 1ab4 n GLY 151 Ca 0.12 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1ab4 n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ab4 n THR 152 N -2.58 0.06 -4.26 2.61 -2.24 -1.26 -4.91 114.28 101.70 1ab4 n THR 152 Ca -0.11 -0.51 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 1ab4 n THR 152 Cb 0.41 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1ab4 n THR 152 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ab4 s GLU 153 N -3.48 1.08 0.09 -0.78 0.41 -1.26 -5.06 118.70 109.70 1ab4 s GLU 153 Ca -0.08 -1.21 0.04 0.00 -0.41 0.00 0.00 54.97 53.32 1ab4 s GLU 153 Cb 0.14 -1.14 -0.04 0.00 -1.78 0.00 0.00 34.13 31.30 1ab4 s GLU 153 CO 0.90 0.24 0.03 0.15 -0.49 0.00 0.00 175.26 176.10 1ab4 s LYS 154 N -2.31 2.66 -0.01 1.61 -0.14 -1.26 -1.52 119.74 118.76 1ab4 s LYS 154 Ca 0.08 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 53.90 1ab4 s LYS 154 Cb -0.08 -2.60 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1ab4 s LYS 154 CO 0.04 0.55 -0.01 0.42 -0.76 0.00 0.00 175.35 175.58 1ab4 s ILE 155 N -1.35 0.19 0.45 2.17 1.01 0.13 -4.93 121.20 118.88 1ab4 s ILE 155 Ca 0.27 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1ab4 s ILE 155 Cb -0.12 -0.22 -0.08 0.00 0.01 0.00 0.00 42.46 42.05 1ab4 s ILE 155 CO 0.20 0.10 1.43 -2.16 0.00 0.00 0.00 174.94 174.51 1ab4 s PRO 156 N 0.43 3.68 0.25 2.79 0.04 -1.26 -0.46 135.00 140.46 1ab4 s PRO 156 Ca -0.04 2.43 -0.03 0.00 0.04 0.00 0.00 61.00 63.40 1ab4 s PRO 156 Cb -0.07 -2.66 0.29 0.00 0.04 0.00 0.00 34.50 32.11 1ab4 s PRO 156 CO -0.01 -0.82 1.73 0.22 0.04 0.00 0.00 177.00 178.15 1ab4 h ASP 157 N 2.32 0.78 -5.42 6.66 3.58 -0.27 -3.45 116.42 120.62 1ab4 h ASP 157 Ca -0.51 -0.21 -0.20 0.00 0.42 0.00 0.00 57.03 56.54 1ab4 h ASP 157 Cb 1.27 -0.21 -0.08 0.00 1.72 0.00 0.00 39.33 42.02 1ab4 h ASP 157 CO 0.61 0.87 -0.18 0.68 -2.88 0.00 0.00 179.24 178.34 1ab4 s VAL 158 N -4.91 0.00 -0.08 2.25 -7.23 -1.26 -5.07 120.40 104.09 1ab4 s VAL 158 Ca -0.09 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1ab4 s VAL 158 Cb 0.14 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1ab4 s VAL 158 CO 0.82 0.00 0.07 -0.04 -0.31 0.00 0.00 175.10 175.64 1ab4 s MET 159 N -3.37 3.18 0.00 4.82 -1.94 -1.26 -4.88 119.30 115.85 1ab4 s MET 159 Ca 0.28 -0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 53.93 1ab4 s MET 159 Cb -0.00 -2.96 -0.09 0.00 2.01 0.00 0.00 34.83 33.79 1ab4 s MET 159 CO 0.16 0.72 2.18 -0.35 -0.01 0.00 0.00 175.02 177.73 1ab4 n PRO 160 N 1.89 1.13 -1.61 2.03 -0.04 -1.16 -4.73 135.00 132.52 1ab4 n PRO 160 Ca -0.18 -0.34 -0.40 0.00 -0.04 0.00 0.00 63.50 62.54 1ab4 n PRO 160 Cb 0.54 -1.44 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1ab4 n PRO 160 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ab4 n THR 161 N 2.03 2.77 0.57 0.52 5.66 -0.55 -4.34 114.28 120.94 1ab4 n THR 161 Ca 0.15 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.71 1ab4 n THR 161 Cb 0.54 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 1ab4 n THR 161 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ab4 n LYS 162 N -0.18 1.79 -4.22 1.09 5.02 -0.76 -4.84 118.16 116.06 1ab4 n LYS 162 Ca 0.10 -0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 55.30 1ab4 n LYS 162 Cb 0.42 -1.18 -0.11 0.00 -0.02 0.00 0.00 35.03 34.14 1ab4 n LYS 162 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ab4 s ILE 163 N -1.56 4.31 -1.16 -0.18 -1.09 -1.26 -4.87 121.20 115.39 1ab4 s ILE 163 Ca 0.11 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1ab4 s ILE 163 Cb 0.10 -2.92 -0.07 0.00 -1.58 0.00 0.00 42.46 38.00 1ab4 s ILE 163 CO 0.31 0.48 2.33 -2.65 -1.23 0.00 0.00 174.94 174.18 1ab4 n PRO 164 N 3.53 2.53 -0.30 2.79 -0.02 -1.26 -4.76 135.00 137.51 1ab4 n PRO 164 Ca -0.17 -1.87 0.23 0.00 -2.02 0.00 0.00 63.50 59.67 1ab4 n PRO 164 Cb 0.52 -2.73 0.55 0.00 -0.02 0.00 0.00 33.50 31.82 1ab4 n PRO 164 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1ab4 h ASN 165 N 6.18 0.37 0.64 2.55 -1.24 -1.83 -2.02 115.58 120.23 1ab4 h ASN 165 Ca 0.60 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.64 1ab4 h ASN 165 Cb 0.34 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1ab4 h ASN 165 CO 1.68 0.09 -0.34 0.25 -1.29 0.00 0.00 177.43 177.83 1ab4 h LEU 166 N 0.34 -0.83 0.36 0.34 5.85 -1.80 -1.46 115.31 118.11 1ab4 h LEU 166 Ca 0.55 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.29 1ab4 h LEU 166 Cb 1.51 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1ab4 h LEU 166 CO -0.22 -0.56 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.08 1ab4 h LEU 167 N -0.91 -0.41 -0.42 2.25 3.38 -1.81 0.26 115.31 117.64 1ab4 h LEU 167 Ca -0.08 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.84 1ab4 h LEU 167 Cb 0.71 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1ab4 h LEU 167 CO 0.12 -0.08 -0.29 0.58 0.09 0.00 0.00 178.44 178.85 1ab4 h VAL 168 N -0.76 0.26 0.00 1.22 2.07 -1.41 -2.34 116.25 115.29 1ab4 h VAL 168 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ab4 h VAL 168 Cb 0.51 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ab4 h VAL 168 CO 0.08 0.00 -1.34 0.59 0.02 0.00 0.00 177.57 176.92 1ab4 n ASN 169 N -5.41 0.66 -0.21 0.57 3.02 -0.55 -1.63 115.26 111.71 1ab4 n ASN 169 Ca 0.02 -0.64 0.02 0.00 -0.03 0.00 0.00 54.58 53.95 1ab4 n ASN 169 Cb 0.33 1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 1ab4 n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ab4 n GLY 170 N 1.42 -2.14 3.54 7.41 0.00 0.90 -4.46 105.19 111.86 1ab4 n GLY 170 Ca 0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 1ab4 n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ab4 s SER 171 N -3.13 -0.62 0.30 1.61 0.15 -0.26 -4.83 113.70 106.92 1ab4 s SER 171 Ca 0.00 0.91 0.10 0.00 0.70 0.00 0.00 55.95 57.66 1ab4 s SER 171 Cb 0.00 1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 65.76 1ab4 s SER 171 CO 0.00 -0.13 -0.06 -0.44 1.20 0.00 0.00 173.24 173.81 1ab4 s SER 172 N 1.96 4.09 0.00 5.45 0.01 -1.26 -1.42 113.70 122.53 1ab4 s SER 172 Ca -0.06 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1ab4 s SER 172 Cb -0.05 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1ab4 s SER 172 CO -0.17 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1ab4 n GLY 173 N -0.83 3.07 2.77 3.44 0.00 -0.90 -4.86 105.19 107.87 1ab4 n GLY 173 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1ab4 n GLY 173 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ab4 s ILE 174 N -0.49 1.84 0.05 -0.61 -5.25 -1.26 -0.52 121.20 114.96 1ab4 s ILE 174 Ca 0.00 -3.07 0.00 0.00 -0.99 0.00 0.00 60.65 56.60 1ab4 s ILE 174 Cb 0.00 -2.27 0.00 0.00 2.95 0.00 0.00 42.46 43.15 1ab4 s ILE 174 CO 0.00 -0.93 0.03 0.00 -1.79 0.00 0.00 174.94 172.25 1ab4 n ALA 175 N 3.07 0.07 -1.54 2.27 0.00 -1.25 -4.97 120.51 118.16 1ab4 n ALA 175 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1ab4 n ALA 175 Cb 0.35 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1ab4 n ALA 175 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ab4 n VAL 176 N -0.48 0.00 0.00 0.00 3.14 -1.26 -3.18 118.33 116.55 1ab4 n VAL 176 Ca -0.01 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1ab4 n VAL 176 Cb 0.06 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 1ab4 n VAL 176 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ab4 n GLY 177 N 6.49 0.78 2.71 7.55 0.00 -1.26 -4.80 105.19 116.67 1ab4 n GLY 177 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1ab4 n GLY 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ab4 n MET 178 N -1.89 4.96 -3.34 1.61 2.81 -1.19 -5.02 117.12 115.06 1ab4 n MET 178 Ca 0.00 -4.70 -0.26 0.00 -1.81 0.00 0.00 57.70 50.93 1ab4 n MET 178 Cb 0.00 -2.43 -0.02 0.00 -0.71 0.00 0.00 33.22 30.07 1ab4 n MET 178 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ab4 s ALA 179 N -4.09 3.67 0.06 3.04 0.00 -1.26 -3.85 121.76 119.33 1ab4 s ALA 179 Ca 0.41 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1ab4 s ALA 179 Cb 0.20 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1ab4 s ALA 179 CO -0.12 0.08 0.25 0.99 0.00 0.00 0.00 175.76 176.96 1ab4 s THR 180 N -2.23 0.11 -0.46 0.00 2.01 0.32 -4.63 115.64 110.76 1ab4 s THR 180 Ca 0.42 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1ab4 s THR 180 Cb -0.10 -1.06 0.19 0.00 0.01 0.00 0.00 72.50 71.54 1ab4 s THR 180 CO 0.34 -0.48 0.82 0.21 -0.69 0.00 0.00 174.62 174.82 1ab4 s ASN 181 N -2.35 -1.15 -0.24 3.53 2.47 0.17 -2.12 114.94 115.25 1ab4 s ASN 181 Ca -0.02 -1.29 -0.07 0.00 0.42 0.00 0.00 52.86 51.90 1ab4 s ASN 181 Cb 0.01 1.51 -0.03 0.00 -1.45 0.00 0.00 41.25 41.29 1ab4 s ASN 181 CO -0.06 -0.05 0.06 -0.63 -3.72 0.00 0.00 177.10 172.70 1ab4 s ILE 182 N 1.00 4.27 0.68 -5.21 1.01 -0.50 -0.99 121.20 121.46 1ab4 s ILE 182 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 1ab4 s ILE 182 Cb 0.03 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1ab4 s ILE 182 CO -0.07 0.36 1.06 -2.16 0.00 0.00 0.00 174.94 174.14 1ab4 s PRO 183 N 1.47 2.91 0.99 2.79 0.04 -1.26 -1.10 135.00 140.83 1ab4 s PRO 183 Ca 0.06 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 1ab4 s PRO 183 Cb -0.15 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.51 1ab4 s PRO 183 CO 0.03 -0.96 1.08 -2.14 0.04 0.00 0.00 177.00 175.06 1ab4 s PRO 184 N -5.29 0.47 0.18 0.56 0.02 -1.26 -4.14 135.00 125.54 1ab4 s PRO 184 Ca 0.57 0.68 -0.09 0.00 0.02 0.00 0.00 61.00 62.19 1ab4 s PRO 184 Cb -0.11 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 1ab4 s PRO 184 CO 0.51 -2.74 0.30 -1.01 -0.33 0.00 0.00 177.00 173.72 1ab4 s HIS 185 N -2.87 0.49 -0.18 6.54 3.76 -0.64 -1.36 115.29 121.02 1ab4 s HIS 185 Ca 0.65 -0.83 -0.25 0.00 -0.15 0.00 0.00 55.06 54.48 1ab4 s HIS 185 Cb -0.19 -0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.41 1ab4 s HIS 185 CO 0.58 -0.76 0.83 1.21 -0.85 0.00 0.00 174.74 175.76 1ab4 s ASN 186 N -3.00 6.94 0.16 1.40 3.84 -1.26 -4.60 114.94 118.42 1ab4 s ASN 186 Ca 0.21 1.16 -0.20 0.00 0.21 0.00 0.00 52.86 54.23 1ab4 s ASN 186 Cb 0.03 -2.45 0.07 0.00 -0.55 0.00 0.00 41.25 38.35 1ab4 s ASN 186 CO 0.03 -0.41 1.64 0.25 -2.79 0.00 0.00 177.10 175.81 1ab4 h LEU 187 N 8.43 -0.67 -0.57 3.21 5.85 -1.92 1.00 115.31 130.64 1ab4 h LEU 187 Ca -0.28 0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.69 1ab4 h LEU 187 Cb 1.13 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 1ab4 h LEU 187 CO 0.84 -0.24 -0.02 0.74 -0.34 0.00 0.00 178.44 179.43 1ab4 h THR 188 N -0.16 0.52 -0.39 1.05 2.02 -1.89 0.14 112.91 114.19 1ab4 h THR 188 Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1ab4 h THR 188 Cb 0.42 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1ab4 h THR 188 CO -0.43 0.02 0.10 -0.33 0.37 0.00 0.00 175.52 175.25 1ab4 h GLU 189 N 0.10 0.63 -0.21 6.66 5.08 -1.55 -1.97 114.58 123.31 1ab4 h GLU 189 Ca 0.29 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1ab4 h GLU 189 Cb 0.46 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ab4 h GLU 189 CO -0.50 0.65 -0.25 0.28 -1.00 0.00 0.00 179.01 178.19 1ab4 h VAL 190 N 0.49 1.26 -0.13 3.13 2.07 0.12 -1.60 116.25 121.58 1ab4 h VAL 190 Ca 0.12 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1ab4 h VAL 190 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1ab4 h VAL 190 CO 0.00 0.38 0.02 0.40 0.02 0.00 0.00 177.57 178.39 1ab4 h ILE 191 N 0.34 1.23 -0.67 4.57 1.08 -0.55 0.39 117.51 123.90 1ab4 h ILE 191 Ca 0.05 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1ab4 h ILE 191 Cb 0.63 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1ab4 h ILE 191 CO 0.04 0.21 0.43 0.78 -0.69 0.00 0.00 178.15 178.92 1ab4 h ASN 192 N -0.01 0.79 -0.46 1.72 -0.26 -1.25 0.29 115.58 116.41 1ab4 h ASN 192 Ca 0.04 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1ab4 h ASN 192 Cb 0.31 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 1ab4 h ASN 192 CO 0.00 0.59 0.22 1.23 -1.06 0.00 0.00 177.43 178.41 1ab4 h GLY 193 N 0.94 0.71 0.94 2.83 0.00 -0.92 0.10 103.07 107.67 1ab4 h GLY 193 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ab4 h GLY 193 CO -0.05 0.34 0.09 0.00 0.00 0.00 0.00 176.54 176.92 1ab4 h LEU 195 N 0.18 0.26 -0.28 0.00 3.38 -0.23 -1.52 115.31 117.09 1ab4 h LEU 195 Ca 0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1ab4 h LEU 195 Cb 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1ab4 h LEU 195 CO -0.01 0.19 -0.03 0.00 0.09 0.00 0.00 178.44 178.68 1ab4 h ALA 196 N 1.19 0.22 -0.67 1.53 0.00 -0.50 0.64 119.26 121.67 1ab4 h ALA 196 Ca 0.16 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1ab4 h ALA 196 Cb 0.07 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1ab4 h ALA 196 CO -0.11 -0.44 0.33 -0.92 0.00 0.00 0.00 179.25 178.11 1ab4 h TYR 197 N 0.04 0.59 -0.56 0.00 5.03 -0.76 -1.26 116.97 120.05 1ab4 h TYR 197 Ca 0.13 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 1ab4 h TYR 197 Cb 0.19 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1ab4 h TYR 197 CO -0.24 0.22 0.28 0.82 -1.32 0.00 0.00 178.16 177.92 1ab4 h ILE 198 N 0.57 1.20 0.00 1.81 2.04 -0.19 -2.22 117.51 120.72 1ab4 h ILE 198 Ca 0.33 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1ab4 h ILE 198 Cb 0.33 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1ab4 h ILE 198 CO -0.26 0.22 -0.19 0.44 0.00 0.00 0.00 178.15 178.37 1ab4 h ASP 199 N 0.76 0.00 -1.09 1.72 3.32 -0.07 -3.39 116.42 117.67 1ab4 h ASP 199 Ca 0.20 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1ab4 h ASP 199 Cb 0.09 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.44 1ab4 h ASP 199 CO -0.03 0.19 -0.44 1.51 -1.72 0.00 0.00 179.24 178.74 1ab4 s ASP 200 N -6.25 -1.33 0.42 6.45 -4.77 -0.56 -5.04 116.67 105.59 1ab4 s ASP 200 Ca -0.02 -0.49 0.19 0.00 -3.30 0.00 0.00 52.55 48.94 1ab4 s ASP 200 Cb 0.12 1.87 1.13 0.00 -1.09 0.00 0.00 42.92 44.95 1ab4 s ASP 200 CO 0.62 -0.23 1.82 -0.08 0.70 0.00 0.00 175.17 178.00 1ab4 h GLU 201 N 7.39 0.36 -0.98 2.11 4.81 -1.62 -1.66 114.58 124.98 1ab4 h GLU 201 Ca 0.02 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ab4 h GLU 201 Cb 1.17 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1ab4 h GLU 201 CO 0.13 0.24 0.14 -0.25 -0.73 0.00 0.00 179.01 178.54 1ab4 n ASP 202 N -4.53 3.05 -4.77 1.04 8.00 -1.26 -4.91 116.55 113.17 1ab4 n ASP 202 Ca 0.22 -2.39 -0.38 0.00 0.71 0.00 0.00 54.79 52.95 1ab4 n ASP 202 Cb 0.80 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1ab4 n ASP 202 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ab4 s ILE 203 N -0.94 3.19 0.71 0.53 2.07 -0.63 -5.04 121.20 121.10 1ab4 s ILE 203 Ca 0.15 1.02 -0.06 0.00 -1.41 0.00 0.00 60.65 60.35 1ab4 s ILE 203 Cb 0.12 -3.58 0.07 0.00 0.13 0.00 0.00 42.46 39.20 1ab4 s ILE 203 CO 0.03 0.11 1.01 -0.94 -1.91 0.00 0.00 174.94 173.24 1ab4 s SER 204 N -1.10 4.71 0.38 4.50 1.04 -1.26 -4.94 113.70 117.03 1ab4 s SER 204 Ca 0.56 0.31 0.15 0.00 0.48 0.00 0.00 55.95 57.44 1ab4 s SER 204 Cb -0.31 -0.92 0.76 0.00 0.10 0.00 0.00 66.02 65.65 1ab4 s SER 204 CO 0.39 -1.65 1.82 0.40 0.98 0.00 0.00 173.24 175.18 1ab4 h ILE 205 N -0.59 1.16 -0.19 -1.02 1.08 -1.97 -1.56 117.51 114.42 1ab4 h ILE 205 Ca -0.43 -1.31 -0.07 0.00 -0.39 0.00 0.00 64.86 62.65 1ab4 h ILE 205 Cb 1.30 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 1ab4 h ILE 205 CO 0.56 0.36 -0.17 -0.08 -0.69 0.00 0.00 178.15 178.13 1ab4 h GLU 206 N 0.00 0.45 -0.10 2.37 4.81 -1.97 0.12 114.58 120.26 1ab4 h GLU 206 Ca -0.00 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1ab4 h GLU 206 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1ab4 h GLU 206 CO 0.05 0.80 -0.19 0.78 -0.73 0.00 0.00 179.01 179.71 1ab4 h GLY 207 N 0.12 0.18 1.13 1.92 0.00 -1.88 -1.86 103.07 102.68 1ab4 h GLY 207 Ca 0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1ab4 h GLY 207 CO 0.04 0.11 -0.43 -2.00 0.00 0.00 0.00 176.54 174.26 1ab4 h LEU 208 N 0.15 1.00 0.00 3.11 5.85 -1.09 -2.73 115.31 121.60 1ab4 h LEU 208 Ca 0.03 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ab4 h LEU 208 Cb 0.43 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1ab4 h LEU 208 CO 0.03 1.29 0.00 0.23 -0.34 0.00 0.00 178.44 179.64 1ab4 n MET 209 N -4.05 0.44 0.22 1.25 2.81 0.01 -1.85 117.12 115.94 1ab4 n MET 209 Ca -0.03 0.06 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 1ab4 n MET 209 Cb 0.57 -1.50 0.45 0.00 -0.71 0.00 0.00 33.22 32.03 1ab4 n MET 209 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1ab4 h GLU 210 N 0.00 0.00 0.00 0.03 4.81 -1.12 -3.15 114.58 115.15 1ab4 h GLU 210 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1ab4 h GLU 210 Cb 0.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1ab4 h GLU 210 CO 0.00 0.26 -1.96 0.72 -0.73 0.00 0.00 179.01 177.30 1ab4 n HIS 211 N -3.46 0.00 -3.63 0.92 8.25 -0.84 -4.81 115.22 111.65 1ab4 n HIS 211 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1ab4 n HIS 211 Cb 0.43 -0.64 -0.07 0.00 1.12 0.00 0.00 29.99 30.84 1ab4 n HIS 211 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ab4 s ILE 212 N -2.33 4.36 0.42 1.59 1.01 -0.77 -4.69 121.20 120.78 1ab4 s ILE 212 Ca -0.23 -3.59 0.12 0.00 0.00 0.00 0.00 60.65 56.95 1ab4 s ILE 212 Cb 0.07 -3.72 0.18 0.00 0.01 0.00 0.00 42.46 38.99 1ab4 s ILE 212 CO 0.37 -1.04 1.97 1.55 0.00 0.00 0.00 174.94 177.79 1ab4 h PRO 213 N 6.34 0.14 0.00 2.79 0.13 -1.84 -3.38 132.00 136.19 1ab4 h PRO 213 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ab4 h PRO 213 Cb 0.86 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ab4 h PRO 213 CO 0.82 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1ab4 n GLY 214 N -1.01 -1.22 3.58 1.56 0.00 -1.26 -4.87 105.19 101.97 1ab4 n GLY 214 Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1ab4 n GLY 214 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ab4 s PRO 215 N -0.92 -0.02 -0.26 1.61 0.02 -1.26 -4.73 135.00 129.44 1ab4 s PRO 215 Ca 0.00 0.97 -0.02 0.00 0.02 0.00 0.00 61.00 61.97 1ab4 s PRO 215 Cb 0.00 -1.65 0.12 0.00 0.02 0.00 0.00 34.50 32.99 1ab4 s PRO 215 CO 0.00 -3.16 0.26 0.34 -0.33 0.00 0.00 177.00 174.12 1ab4 s ASP 216 N -2.78 1.71 0.36 2.53 -1.08 -0.47 -4.79 116.67 112.15 1ab4 s ASP 216 Ca 0.67 -0.62 -0.18 0.00 -0.52 0.00 0.00 52.55 51.91 1ab4 s ASP 216 Cb -0.23 0.42 -0.10 0.00 -1.46 0.00 0.00 42.92 41.56 1ab4 s ASP 216 CO 0.61 -0.37 0.83 -0.36 0.52 0.00 0.00 175.17 176.39 1ab4 s PHE 217 N 2.34 3.36 0.31 -5.34 0.08 -1.26 -3.41 117.98 114.05 1ab4 s PHE 217 Ca 0.09 1.39 0.06 0.00 0.12 0.00 0.00 56.93 58.58 1ab4 s PHE 217 Cb -0.15 -2.67 0.52 0.00 -0.57 0.00 0.00 43.02 40.15 1ab4 s PHE 217 CO -0.27 0.02 1.76 -1.00 -0.10 0.00 0.00 175.22 175.63 1ab4 h PRO 218 N 2.15 0.33 0.00 0.24 0.13 -1.87 -3.37 132.00 129.60 1ab4 h PRO 218 Ca -0.48 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1ab4 h PRO 218 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ab4 h PRO 218 CO 0.64 0.59 -0.22 0.25 -0.23 0.00 0.00 178.00 179.02 1ab4 n THR 219 N -4.12 0.47 -0.57 1.56 -2.24 -1.26 -4.92 114.28 103.20 1ab4 n THR 219 Ca -0.01 0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.89 1ab4 n THR 219 Cb 0.40 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1ab4 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ab4 n ALA 220 N -3.05 -2.22 -0.07 6.98 0.00 -1.19 -4.80 120.51 116.17 1ab4 n ALA 220 Ca -0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ab4 n ALA 220 Cb 0.11 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1ab4 n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ab4 n ALA 221 N -0.69 1.71 -3.24 0.00 0.00 -1.25 -3.85 120.51 113.19 1ab4 n ALA 221 Ca 0.04 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1ab4 n ALA 221 Cb 0.21 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 1ab4 n ALA 221 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1ab4 s ILE 222 N -2.27 0.02 -0.14 0.00 2.07 -1.16 -0.01 121.20 119.71 1ab4 s ILE 222 Ca -0.17 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1ab4 s ILE 222 Cb 0.05 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.10 1ab4 s ILE 222 CO 0.33 -0.11 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.46 1ab4 s ILE 223 N -0.47 1.67 -0.03 2.00 1.01 0.16 -0.49 121.20 125.05 1ab4 s ILE 223 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1ab4 s ILE 223 Cb -0.04 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1ab4 s ILE 223 CO 0.02 0.47 -0.02 0.78 0.00 0.00 0.00 174.94 176.19 1ab4 h ASN 224 N 7.72 0.00 -0.76 3.58 2.35 -1.67 -1.60 115.58 125.20 1ab4 h ASN 224 Ca -0.36 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.07 1ab4 h ASN 224 Cb 1.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 1ab4 h ASN 224 CO 0.53 0.14 1.22 0.61 -1.65 0.00 0.00 177.43 178.28 1ab4 n GLY 225 N 1.82 -0.11 0.12 2.83 0.00 -1.26 -4.34 105.19 104.24 1ab4 n GLY 225 Ca -0.01 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ab4 n GLY 225 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ab4 h ARG 226 N 15.25 0.00 0.00 1.61 2.43 -1.87 -3.27 114.38 128.53 1ab4 h ARG 226 Ca -0.10 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1ab4 h ARG 226 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1ab4 h ARG 226 CO 1.21 0.65 -0.40 0.07 -1.51 0.00 0.00 179.97 179.99 1ab4 h ARG 227 N 0.00 0.00 -0.12 0.20 0.11 -1.92 -2.69 114.38 109.96 1ab4 h ARG 227 Ca -0.01 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1ab4 h ARG 227 Cb 1.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.48 1ab4 h ARG 227 CO 0.08 0.40 -0.24 0.78 0.10 0.00 0.00 179.97 181.10 1ab4 h GLY 228 N 1.79 0.23 0.46 0.08 0.00 -1.76 -0.51 103.07 103.36 1ab4 h GLY 228 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ab4 h GLY 228 CO 0.05 0.15 -0.08 -2.22 0.00 0.00 0.00 176.54 174.44 1ab4 h ILE 229 N 0.19 0.91 -0.33 2.60 2.04 -1.63 -0.17 117.51 121.13 1ab4 h ILE 229 Ca 0.03 -1.00 0.09 0.00 1.00 0.00 0.00 64.86 64.98 1ab4 h ILE 229 Cb 0.53 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1ab4 h ILE 229 CO 0.04 0.21 0.26 -0.33 0.00 0.00 0.00 178.15 178.32 1ab4 h GLU 230 N -0.77 0.00 0.19 2.37 5.08 -1.33 0.32 114.58 120.44 1ab4 h GLU 230 Ca -0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1ab4 h GLU 230 Cb 0.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ab4 h GLU 230 CO 0.04 0.00 -1.32 1.49 -1.00 0.00 0.00 179.01 178.21 1ab4 h GLU 231 N 0.00 0.41 -0.36 2.33 4.57 -1.03 -2.54 114.58 117.96 1ab4 h GLU 231 Ca 0.16 -0.70 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 1ab4 h GLU 231 Cb 0.66 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1ab4 h GLU 231 CO -0.00 1.34 0.10 0.00 -1.18 0.00 0.00 179.01 179.27 1ab4 h ALA 232 N 0.10 0.47 -0.48 2.92 0.00 0.40 -1.39 119.26 121.28 1ab4 h ALA 232 Ca -0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1ab4 h ALA 232 Cb 1.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1ab4 h ALA 232 CO 0.20 0.12 -0.05 1.88 0.00 0.00 0.00 179.25 181.41 1ab4 h TYR 233 N 0.43 0.97 0.00 0.00 0.05 -0.56 1.28 116.97 119.14 1ab4 h TYR 233 Ca 0.12 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 1ab4 h TYR 233 Cb 0.27 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1ab4 h TYR 233 CO 0.01 0.93 -0.34 -0.09 -1.05 0.00 0.00 178.16 177.62 1ab4 h ARG 234 N 0.73 0.00 0.00 4.88 2.43 -1.30 -1.04 114.38 120.08 1ab4 h ARG 234 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ab4 h ARG 234 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ab4 h ARG 234 CO 0.03 0.34 0.00 0.25 -1.51 0.00 0.00 179.97 179.08 1ab4 n THR 235 N -3.73 0.00 0.00 0.20 -2.24 -0.54 -4.90 114.28 103.08 1ab4 n THR 235 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ab4 n THR 235 Cb 0.43 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1ab4 n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab4 n GLY 236 N 0.12 3.38 3.15 3.38 0.00 0.44 -4.67 105.19 111.00 1ab4 n GLY 236 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ab4 n GLY 236 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ab4 s ARG 237 N -0.77 1.15 0.00 1.61 0.52 -1.19 -0.46 118.95 119.81 1ab4 s ARG 237 Ca 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1ab4 s ARG 237 Cb 0.00 -1.15 0.00 0.00 0.52 0.00 0.00 34.95 34.32 1ab4 s ARG 237 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1ab4 n GLY 238 N 2.34 1.42 3.74 -3.53 0.00 -0.42 -2.77 105.19 105.96 1ab4 n GLY 238 Ca -0.16 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ab4 n GLY 238 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ab4 s LYS 239 N 0.00 4.64 0.24 1.61 2.20 -1.26 -0.78 119.74 126.39 1ab4 s LYS 239 Ca 0.00 1.32 0.07 0.00 -0.36 0.00 0.00 55.97 57.00 1ab4 s LYS 239 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1ab4 s LYS 239 CO 0.00 0.27 -0.10 0.54 -0.36 0.00 0.00 175.35 175.70 1ab4 s VAL 240 N -0.13 1.66 -0.15 4.02 0.11 -0.19 -4.37 120.40 121.34 1ab4 s VAL 240 Ca 0.43 -2.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.34 1ab4 s VAL 240 Cb -0.23 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.38 1ab4 s VAL 240 CO 0.28 -0.44 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.09 1ab4 s TYR 241 N -3.01 2.69 -0.20 1.54 2.02 -1.26 -0.17 117.35 118.95 1ab4 s TYR 241 Ca 0.26 -1.45 -0.06 0.00 -0.37 0.00 0.00 57.07 55.45 1ab4 s TYR 241 Cb 0.02 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1ab4 s TYR 241 CO 0.09 -0.69 0.04 0.42 -1.57 0.00 0.00 175.55 173.85 1ab4 s ILE 242 N 1.01 4.38 0.24 2.71 1.01 0.94 -1.98 121.20 129.50 1ab4 s ILE 242 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 60.65 60.57 1ab4 s ILE 242 Cb -0.15 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1ab4 s ILE 242 CO -0.06 0.43 -0.20 -0.60 0.00 0.00 0.00 174.94 174.51 1ab4 s ARG 243 N 0.79 1.56 0.28 2.79 3.52 0.35 0.24 118.95 128.49 1ab4 s ARG 243 Ca 0.02 -1.67 -0.26 0.00 -0.13 0.00 0.00 55.73 53.70 1ab4 s ARG 243 Cb -0.14 -1.65 -0.09 0.00 -1.56 0.00 0.00 34.95 31.51 1ab4 s ARG 243 CO 0.02 0.31 0.90 0.00 -0.81 0.00 0.00 175.30 175.73 1ab4 s ALA 244 N -2.39 3.28 -0.66 6.12 0.00 0.20 -2.99 121.76 125.31 1ab4 s ALA 244 Ca 0.26 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1ab4 s ALA 244 Cb -0.05 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1ab4 s ALA 244 CO 0.12 0.21 1.03 0.50 0.00 0.00 0.00 175.76 177.62 1ab4 s ARG 245 N -1.83 3.15 0.14 0.00 3.52 0.39 -4.92 118.95 119.40 1ab4 s ARG 245 Ca 0.47 -0.66 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 1ab4 s ARG 245 Cb -0.20 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 28.95 1ab4 s ARG 245 CO 0.25 -1.85 -0.13 0.00 -0.81 0.00 0.00 175.30 172.76 1ab4 s ALA 246 N 4.39 1.55 0.13 6.12 0.00 -1.26 -2.33 121.76 130.36 1ab4 s ALA 246 Ca 0.26 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1ab4 s ALA 246 Cb -0.15 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ab4 s ALA 246 CO 0.12 0.05 0.31 -1.83 0.00 0.00 0.00 175.76 174.40 1ab4 s GLU 247 N -3.06 1.06 0.15 0.00 -1.05 -1.19 -5.01 118.70 109.60 1ab4 s GLU 247 Ca 0.12 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 54.01 1ab4 s GLU 247 Cb -0.03 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1ab4 s GLU 247 CO 0.03 -0.39 0.23 0.14 0.95 0.00 0.00 175.26 176.21 1ab4 s VAL 248 N -3.89 5.03 -0.03 1.83 -7.23 -1.26 -1.81 120.40 113.05 1ab4 s VAL 248 Ca 0.09 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1ab4 s VAL 248 Cb 0.03 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.41 1ab4 s VAL 248 CO -0.06 -0.08 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.01 1ab4 s GLU 249 N -3.12 0.46 -0.17 4.82 2.02 -0.40 -4.89 118.70 117.41 1ab4 s GLU 249 Ca 0.33 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1ab4 s GLU 249 Cb -0.11 -0.53 0.03 0.00 0.10 0.00 0.00 34.13 33.62 1ab4 s GLU 249 CO 0.27 -0.05 -0.12 0.08 0.02 0.00 0.00 175.26 175.45 1ab4 s VAL 250 N 0.64 1.62 0.00 2.63 1.01 -1.26 -2.09 120.40 122.95 1ab4 s VAL 250 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ab4 s VAL 250 Cb -0.10 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1ab4 s VAL 250 CO -0.01 0.32 0.00 -0.62 0.00 0.00 0.00 175.10 174.80 1ab4 n GLU 257 N 4.73 0.00 -4.69 2.72 1.02 -1.26 -5.30 120.64 117.85 1ab4 n GLU 257 Ca -0.16 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.73 1ab4 n GLU 257 Cb 0.48 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.74 1ab4 n GLU 257 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1ab4 s THR 258 N -0.23 1.27 -0.38 2.62 -1.32 -0.89 -4.62 115.64 112.09 1ab4 s THR 258 Ca 0.00 -0.58 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 1ab4 s THR 258 Cb 0.00 -1.12 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 1ab4 s THR 258 CO 0.00 0.38 0.50 -0.63 -2.21 0.00 0.00 174.62 172.66 1ab4 s ILE 259 N 0.41 5.01 -0.21 5.08 1.09 0.13 -1.27 121.20 131.44 1ab4 s ILE 259 Ca -0.11 0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.51 1ab4 s ILE 259 Cb -0.14 -4.02 0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1ab4 s ILE 259 CO 0.03 -0.33 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.82 1ab4 s ILE 260 N 2.37 2.84 -0.35 2.92 1.01 -0.75 -1.25 121.20 127.99 1ab4 s ILE 260 Ca 0.17 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 1ab4 s ILE 260 Cb -0.16 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1ab4 s ILE 260 CO 0.14 0.41 0.55 -0.69 0.00 0.00 0.00 174.94 175.36 1ab4 s VAL 261 N 1.38 4.98 0.02 2.92 1.01 -1.08 -3.14 120.40 126.50 1ab4 s VAL 261 Ca 0.04 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 1ab4 s VAL 261 Cb -0.14 -3.99 -0.35 0.00 0.00 0.00 0.00 36.38 31.89 1ab4 s VAL 261 CO -0.07 -0.23 0.99 0.45 0.00 0.00 0.00 175.10 176.25 1ab4 h HIS 262 N 8.43 0.95 -3.08 5.22 -0.00 -1.64 -2.86 115.15 122.16 1ab4 h HIS 262 Ca -0.27 -0.68 -0.18 0.00 -0.00 0.00 0.00 60.37 59.23 1ab4 h HIS 262 Cb 1.12 -0.04 -0.27 0.00 -0.00 0.00 0.00 27.41 28.22 1ab4 h HIS 262 CO 0.73 1.53 -0.45 -1.83 -0.00 0.00 0.00 177.93 177.91 1ab4 s GLU 263 N -2.60 0.25 0.46 2.45 -1.05 -1.24 -4.19 118.70 112.78 1ab4 s GLU 263 Ca -0.10 0.43 0.08 0.00 -0.15 0.00 0.00 54.97 55.23 1ab4 s GLU 263 Cb 0.04 0.02 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1ab4 s GLU 263 CO 0.93 -0.09 0.46 0.96 0.95 0.00 0.00 175.26 178.47 1ab4 s ILE 264 N 0.66 2.46 0.85 1.83 -4.36 -1.26 -0.46 121.20 120.93 1ab4 s ILE 264 Ca -0.04 -1.28 -0.12 0.00 -0.26 0.00 0.00 60.65 58.95 1ab4 s ILE 264 Cb -0.06 -2.74 0.10 0.00 1.25 0.00 0.00 42.46 41.02 1ab4 s ILE 264 CO -0.04 0.00 1.15 -2.65 0.24 0.00 0.00 174.94 173.64 1ab4 n PRO 265 N -1.72 -0.07 -2.21 0.37 -0.02 -1.26 -3.18 135.00 126.92 1ab4 n PRO 265 Ca 0.05 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1ab4 n PRO 265 Cb 0.62 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1ab4 n PRO 265 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ab4 s TYR 266 N -2.32 3.27 0.00 6.00 5.04 -1.26 -3.22 117.35 124.86 1ab4 s TYR 266 Ca 0.71 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 1ab4 s TYR 266 Cb -0.27 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1ab4 s TYR 266 CO 0.54 -2.17 0.00 1.04 -1.34 0.00 0.00 175.55 173.62 1ab4 n GLN 267 N 3.73 0.00 -3.37 4.97 6.02 -1.26 -5.03 117.38 122.44 1ab4 n GLN 267 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.72 1ab4 n GLN 267 Cb 0.43 -2.27 -0.06 0.00 1.02 0.00 0.00 30.24 29.36 1ab4 n GLN 267 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1ab4 s VAL 268 N -2.62 4.86 -0.42 5.09 -7.23 -1.20 -5.04 120.40 113.84 1ab4 s VAL 268 Ca 0.00 1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.94 1ab4 s VAL 268 Cb 0.00 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 33.16 1ab4 s VAL 268 CO 0.00 0.50 0.81 0.21 -0.31 0.00 0.00 175.10 176.31 1ab4 s ASN 269 N -1.23 6.48 0.31 4.85 3.84 -1.26 -4.93 114.94 122.99 1ab4 s ASN 269 Ca 0.29 0.10 0.05 0.00 0.21 0.00 0.00 52.86 53.51 1ab4 s ASN 269 Cb -0.18 -2.40 0.68 0.00 -0.55 0.00 0.00 41.25 38.80 1ab4 s ASN 269 CO 0.17 -0.88 1.83 0.50 -2.79 0.00 0.00 177.10 175.94 1ab4 h LYS 270 N 8.82 0.83 0.16 0.43 3.64 -1.70 -1.98 116.57 126.77 1ab4 h LYS 270 Ca -0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1ab4 h LYS 270 Cb 1.09 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1ab4 h LYS 270 CO 0.96 0.55 -0.07 0.00 -2.27 0.00 0.00 179.45 178.61 1ab4 h ALA 271 N 1.58 -0.21 0.00 5.00 0.00 -1.85 -1.46 119.26 122.32 1ab4 h ALA 271 Ca 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ab4 h ALA 271 Cb 0.65 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ab4 h ALA 271 CO -0.27 -0.53 0.00 0.54 0.00 0.00 0.00 179.25 178.99 1ab4 n ARG 272 N -5.10 0.21 -0.08 0.00 1.74 -0.91 -1.60 116.66 110.92 1ab4 n ARG 272 Ca -0.09 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 1ab4 n ARG 272 Cb 0.17 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.99 1ab4 n ARG 272 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab4 n LEU 273 N -1.21 2.67 -0.19 0.55 7.94 -0.79 -2.85 117.00 123.12 1ab4 n LEU 273 Ca 0.06 0.07 -0.08 0.00 -1.11 0.00 0.00 56.01 54.96 1ab4 n LEU 273 Cb 0.08 -0.98 0.02 0.00 0.53 0.00 0.00 43.42 43.07 1ab4 n LEU 273 CO 0.08 0.83 1.00 0.40 -1.11 0.00 0.00 177.39 178.58 1ab4 h ILE 274 N -0.15 1.20 -0.50 1.96 1.08 -0.56 -1.12 117.51 119.41 1ab4 h ILE 274 Ca -0.52 -0.57 -0.09 0.00 -0.39 0.00 0.00 64.86 63.29 1ab4 h ILE 274 Cb 1.87 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 1ab4 h ILE 274 CO -0.07 0.23 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.25 1ab4 h GLU 275 N 0.72 0.87 -0.12 2.37 5.08 -1.48 0.24 114.58 122.26 1ab4 h GLU 275 Ca 0.18 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ab4 h GLU 275 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ab4 h GLU 275 CO -0.02 0.89 0.08 -0.22 -1.00 0.00 0.00 179.01 178.73 1ab4 h LYS 276 N 0.80 0.16 -0.60 2.33 3.64 -1.30 -0.31 116.57 121.29 1ab4 h LYS 276 Ca 0.14 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ab4 h LYS 276 Cb 0.53 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1ab4 h LYS 276 CO 0.03 0.14 0.32 0.82 -2.27 0.00 0.00 179.45 178.49 1ab4 h ILE 277 N 0.14 1.20 0.32 2.00 2.04 -1.00 -2.85 117.51 119.36 1ab4 h ILE 277 Ca 0.04 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1ab4 h ILE 277 Cb 0.01 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ab4 h ILE 277 CO -0.01 0.22 -0.31 0.00 0.00 0.00 0.00 178.15 178.06 1ab4 h ALA 278 N 1.15 -0.66 0.00 1.87 0.00 -0.52 -0.23 119.26 120.87 1ab4 h ALA 278 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ab4 h ALA 278 Cb 0.06 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ab4 h ALA 278 CO -0.03 -0.90 0.00 -0.85 0.00 0.00 0.00 179.25 177.47 1ab4 n GLU 279 N -5.42 0.61 -0.08 0.00 0.28 -0.16 -1.55 120.64 114.32 1ab4 n GLU 279 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.81 1ab4 n GLU 279 Cb 0.33 -1.17 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 1ab4 n GLU 279 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1ab4 n LEU 280 N -0.67 1.43 0.17 -1.84 4.77 -0.67 -3.80 117.00 116.39 1ab4 n LEU 280 Ca 0.05 -0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1ab4 n LEU 280 Cb 0.02 -0.12 0.18 0.00 -2.33 0.00 0.00 43.42 41.18 1ab4 n LEU 280 CO 0.04 0.55 0.59 1.62 -1.33 0.00 0.00 177.39 178.86 1ab4 h VAL 281 N 0.00 0.78 -0.04 4.08 3.04 -0.41 0.36 116.25 124.06 1ab4 h VAL 281 Ca -0.37 -1.82 -0.05 0.00 -1.01 0.00 0.00 66.70 63.45 1ab4 h VAL 281 Cb 1.72 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1ab4 h VAL 281 CO -0.02 0.40 -0.16 0.11 -1.01 0.00 0.00 177.57 176.89 1ab4 h LYS 282 N 0.00 0.19 -0.00 4.17 1.57 -1.49 -3.02 116.57 117.99 1ab4 h LYS 282 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1ab4 h LYS 282 Cb 1.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ab4 h LYS 282 CO 0.05 0.78 -0.00 0.39 -0.57 0.00 0.00 179.45 180.10 1ab4 n GLU 283 N -4.60 0.98 -1.34 3.15 1.02 -1.20 -4.89 120.64 113.77 1ab4 n GLU 283 Ca -0.08 -0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 56.91 1ab4 n GLU 283 Cb 0.41 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1ab4 n GLU 283 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ab4 n LYS 284 N -0.98 -1.43 -0.23 3.49 5.02 -0.32 -4.86 118.16 118.84 1ab4 n LYS 284 Ca 0.23 0.88 -0.02 0.00 -2.02 0.00 0.00 58.31 57.38 1ab4 n LYS 284 Cb 0.13 -5.16 0.09 0.00 -0.02 0.00 0.00 35.03 30.07 1ab4 n LYS 284 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ab4 h ARG 285 N 0.05 0.69 -5.00 1.97 2.47 -0.65 -3.31 114.38 110.60 1ab4 h ARG 285 Ca -0.24 -0.04 -0.68 0.00 -1.26 0.00 0.00 59.98 57.76 1ab4 h ARG 285 Cb 1.07 -0.16 -0.18 0.00 -1.65 0.00 0.00 29.97 29.05 1ab4 h ARG 285 CO 0.35 0.46 0.53 0.08 0.56 0.00 0.00 179.97 181.95 1ab4 s VAL 286 N -6.10 4.68 0.00 2.04 1.01 -1.08 -4.96 120.40 115.99 1ab4 s VAL 286 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1ab4 s VAL 286 Cb 0.16 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1ab4 s VAL 286 CO 0.76 -1.38 0.00 -0.62 0.00 0.00 0.00 175.10 173.86 1ab4 n GLU 287 N 6.70 0.00 -3.22 2.72 -0.58 -1.25 -4.21 120.64 120.80 1ab4 n GLU 287 Ca 0.07 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.85 1ab4 n GLU 287 Cb 0.46 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.31 1ab4 n GLU 287 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ab4 s GLY 288 N 0.00 -0.38 0.06 0.62 0.00 -1.26 -4.99 107.32 101.36 1ab4 s GLY 288 Ca 0.00 2.73 0.08 0.00 0.00 0.00 0.00 44.72 47.53 1ab4 s GLY 288 CO 0.00 3.58 -0.22 -0.42 0.00 0.00 0.00 173.10 176.04 1ab4 s ILE 289 N 2.78 1.78 0.00 0.90 1.01 -1.26 -5.01 121.20 121.41 1ab4 s ILE 289 Ca 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1ab4 s ILE 289 Cb -0.10 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1ab4 s ILE 289 CO -0.14 0.17 0.00 -0.24 0.00 0.00 0.00 174.94 174.73 1ab4 n SER 290 N 1.63 0.00 -4.53 3.58 2.88 -1.26 -5.02 113.62 110.90 1ab4 n SER 290 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1ab4 n SER 290 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1ab4 n SER 290 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ab4 s ALA 291 N -4.00 2.83 -0.18 -1.46 0.00 -1.26 -4.95 121.76 112.74 1ab4 s ALA 291 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1ab4 s ALA 291 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1ab4 s ALA 291 CO 0.00 0.59 -0.08 -1.17 0.00 0.00 0.00 175.76 175.10 1ab4 s LEU 292 N -1.19 2.85 -0.06 0.00 2.96 -1.26 -2.14 118.68 119.83 1ab4 s LEU 292 Ca 0.15 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1ab4 s LEU 292 Cb -0.11 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1ab4 s LEU 292 CO 0.05 0.08 0.13 -0.60 -1.32 0.00 0.00 176.35 174.69 1ab4 s ARG 293 N 0.89 0.07 -0.55 1.98 3.52 0.74 -5.03 118.95 120.56 1ab4 s ARG 293 Ca -0.02 0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 55.77 1ab4 s ARG 293 Cb -0.15 -0.21 0.08 0.00 -1.56 0.00 0.00 34.95 33.11 1ab4 s ARG 293 CO 0.01 -0.19 0.68 0.34 -0.81 0.00 0.00 175.30 175.33 1ab4 s ASP 294 N 1.36 6.20 -0.41 -2.12 2.15 -1.26 -0.65 116.67 121.94 1ab4 s ASP 294 Ca -0.07 -1.16 0.05 0.00 0.43 0.00 0.00 52.55 51.81 1ab4 s ASP 294 Cb -0.12 -2.30 0.65 0.00 -0.30 0.00 0.00 42.92 40.85 1ab4 s ASP 294 CO -0.06 -1.03 1.84 -0.62 -0.17 0.00 0.00 175.17 175.13 1ab4 n GLU 295 N 6.33 2.31 -2.19 4.34 1.02 0.15 -4.97 120.64 127.65 1ab4 n GLU 295 Ca -0.08 -3.05 -0.42 0.00 -0.02 0.00 0.00 57.16 53.59 1ab4 n GLU 295 Cb 0.44 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1ab4 n GLU 295 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ab4 s SER 296 N -1.48 6.01 0.00 1.62 0.01 -1.15 -4.22 113.70 114.49 1ab4 s SER 296 Ca 0.55 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1ab4 s SER 296 Cb 0.46 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1ab4 s SER 296 CO 0.09 -1.70 0.00 -0.90 0.41 0.00 0.00 173.24 171.15 1ab4 n ASP 297 N 9.97 0.00 0.09 2.44 5.75 -1.25 -4.89 116.55 128.66 1ab4 n ASP 297 Ca 0.19 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.79 1ab4 n ASP 297 Cb 0.48 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.43 1ab4 n ASP 297 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1ab4 h LYS 298 N 0.00 0.30 -0.30 0.11 1.79 -2.04 -3.37 116.57 113.06 1ab4 h LYS 298 Ca 0.00 -0.52 -0.08 0.00 -2.18 0.00 0.00 60.65 57.88 1ab4 h LYS 298 Cb 0.00 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1ab4 h LYS 298 CO 0.00 1.20 -0.11 -0.44 -1.08 0.00 0.00 179.45 179.02 1ab4 h ASP 299 N 0.08 0.62 0.00 0.86 3.32 -2.00 -3.48 116.42 115.82 1ab4 h ASP 299 Ca -0.22 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1ab4 h ASP 299 Cb 2.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.41 1ab4 h ASP 299 CO 0.19 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 1ab4 n GLY 300 N -0.10 5.23 2.86 2.75 0.00 -1.26 -5.18 105.19 109.50 1ab4 n GLY 300 Ca -0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1ab4 n GLY 300 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ab4 s MET 301 N 2.73 0.00 -0.29 1.61 1.75 -1.26 -3.74 119.30 120.10 1ab4 s MET 301 Ca 0.00 0.02 -0.02 0.00 -1.25 0.00 0.00 55.69 54.43 1ab4 s MET 301 Cb 0.00 -0.03 0.12 0.00 2.84 0.00 0.00 34.83 37.75 1ab4 s MET 301 CO 0.00 -0.02 0.20 1.03 -0.65 0.00 0.00 175.02 175.58 1ab4 s ARG 302 N 0.12 0.26 -0.98 4.11 3.00 -1.26 -4.25 118.95 119.95 1ab4 s ARG 302 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 55.73 55.21 1ab4 s ARG 302 Cb -0.01 -0.95 0.25 0.00 0.00 0.00 0.00 34.95 34.23 1ab4 s ARG 302 CO -0.00 -1.03 0.94 0.42 0.00 0.00 0.00 175.30 175.63 1ab4 s ILE 303 N 2.17 5.74 -0.14 1.52 1.01 -1.08 0.34 121.20 130.76 1ab4 s ILE 303 Ca 0.09 -3.04 -0.28 0.00 0.00 0.00 0.00 60.65 57.42 1ab4 s ILE 303 Cb -0.15 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.81 1ab4 s ILE 303 CO -0.34 -1.11 0.97 -0.69 0.00 0.00 0.00 174.94 173.77 1ab4 s VAL 304 N -0.65 4.79 -0.04 2.92 1.01 0.18 -2.63 120.40 125.98 1ab4 s VAL 304 Ca 0.25 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 64.16 1ab4 s VAL 304 Cb -0.10 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1ab4 s VAL 304 CO -0.08 -0.01 0.04 -0.51 0.00 0.00 0.00 175.10 174.53 1ab4 s ILE 305 N 2.20 0.02 -0.29 2.22 2.07 -0.38 -0.19 121.20 126.85 1ab4 s ILE 305 Ca 0.45 0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 59.87 1ab4 s ILE 305 Cb -0.17 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1ab4 s ILE 305 CO 0.15 0.17 0.20 -1.61 -1.91 0.00 0.00 174.94 171.94 1ab4 s GLU 306 N 1.77 3.83 0.00 3.50 2.02 -0.91 0.21 118.70 129.11 1ab4 s GLU 306 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1ab4 s GLU 306 Cb -0.12 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.42 1ab4 s GLU 306 CO -0.03 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1ab4 n GLY 313 N 5.07 0.51 0.11 -1.39 0.00 -1.26 -4.35 105.19 103.88 1ab4 n GLY 313 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1ab4 n GLY 313 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ab4 n GLU 314 N 0.00 0.19 0.26 1.61 1.02 -1.26 -2.26 120.64 120.20 1ab4 n GLU 314 Ca 0.00 0.36 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1ab4 n GLU 314 Cb 0.00 -1.82 0.68 0.00 -0.02 0.00 0.00 31.44 30.28 1ab4 n GLU 314 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ab4 h VAL 315 N 0.00 0.71 -0.21 2.62 2.07 -2.04 -2.16 116.25 117.25 1ab4 h VAL 315 Ca 0.00 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1ab4 h VAL 315 Cb 0.43 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ab4 h VAL 315 CO 0.00 0.13 -0.11 0.58 0.02 0.00 0.00 177.57 178.19 1ab4 h VAL 316 N 0.00 1.31 -0.36 2.57 2.07 -1.85 -2.62 116.25 117.37 1ab4 h VAL 316 Ca -0.00 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1ab4 h VAL 316 Cb 0.31 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1ab4 h VAL 316 CO 0.02 0.36 0.17 0.25 0.02 0.00 0.00 177.57 178.39 1ab4 h LEU 317 N 0.15 0.47 -0.33 2.57 5.85 -1.55 -1.32 115.31 121.15 1ab4 h LEU 317 Ca 0.05 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1ab4 h LEU 317 Cb 0.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ab4 h LEU 317 CO 0.03 0.47 -0.01 0.78 -0.34 0.00 0.00 178.44 179.37 1ab4 h ASN 318 N 0.44 0.57 0.76 1.25 -0.26 -1.52 -1.58 115.58 115.25 1ab4 h ASN 318 Ca 0.12 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.53 1ab4 h ASN 318 Cb 0.12 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1ab4 h ASN 318 CO -0.02 0.75 -0.08 0.78 -1.06 0.00 0.00 177.43 177.80 1ab4 h ASN 319 N 0.38 0.00 0.02 5.81 4.21 -1.45 -2.78 115.58 121.78 1ab4 h ASN 319 Ca 0.09 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 1ab4 h ASN 319 Cb 0.46 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1ab4 h ASN 319 CO 0.02 0.08 -0.01 0.25 -1.29 0.00 0.00 177.43 176.48 1ab4 h LEU 320 N 0.00 -0.02 -0.52 1.61 5.85 -0.82 -3.20 115.31 118.20 1ab4 h LEU 320 Ca -0.00 -0.62 0.10 0.00 0.84 0.00 0.00 57.88 58.20 1ab4 h LEU 320 Cb 0.49 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1ab4 h LEU 320 CO 0.01 0.63 -0.15 1.88 -0.34 0.00 0.00 178.44 180.47 1ab4 h TYR 321 N -0.69 -0.32 0.00 1.25 0.05 -1.03 0.17 116.97 116.40 1ab4 h TYR 321 Ca -0.00 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1ab4 h TYR 321 Cb 0.65 0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 1ab4 h TYR 321 CO 0.15 -0.24 -0.04 0.66 -1.05 0.00 0.00 178.16 177.64 1ab4 h SER 322 N -0.02 0.00 0.00 3.88 4.64 -1.60 -3.18 113.55 117.27 1ab4 h SER 322 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ab4 h SER 322 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ab4 h SER 322 CO -0.55 0.04 -0.27 0.00 -0.87 0.00 0.00 176.83 175.18 1ab4 n GLN 323 N -3.45 5.13 -3.14 4.77 6.02 -0.62 -5.06 117.38 121.03 1ab4 n GLN 323 Ca -0.02 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1ab4 n GLN 323 Cb 0.16 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 30.64 1ab4 n GLN 323 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ab4 n THR 324 N -1.14 0.00 1.88 5.09 -2.24 0.50 -5.01 114.28 113.36 1ab4 n THR 324 Ca 0.01 -1.35 0.16 0.00 -2.27 0.00 0.00 64.05 60.60 1ab4 n THR 324 Cb 0.09 -0.04 0.87 0.00 -2.10 0.00 0.00 70.33 69.15 1ab4 n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ab4 n GLN 325 N -1.09 1.04 0.14 -0.78 1.13 -1.26 -3.81 117.38 112.75 1ab4 n GLN 325 Ca -0.05 -0.13 0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1ab4 n GLN 325 Cb 0.38 -1.50 0.50 0.00 0.11 0.00 0.00 30.24 29.73 1ab4 n GLN 325 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ab4 n LEU 326 N -0.86 0.47 -3.78 1.08 4.77 -1.26 -4.22 117.00 113.21 1ab4 n LEU 326 Ca 0.22 0.71 -0.15 0.00 -0.03 0.00 0.00 56.01 56.76 1ab4 n LEU 326 Cb 0.16 -0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 40.33 1ab4 n LEU 326 CO 0.18 -0.87 -0.35 -1.58 -1.33 0.00 0.00 177.39 173.44 1ab4 s GLN 327 N -3.46 -0.02 0.04 3.23 0.74 -1.25 0.61 119.66 119.55 1ab4 s GLN 327 Ca -0.02 0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.59 1ab4 s GLN 327 Cb 0.05 -0.25 -0.02 0.00 1.10 0.00 0.00 33.01 33.89 1ab4 s GLN 327 CO 0.17 -0.16 -0.08 0.54 -0.55 0.00 0.00 175.29 175.21 1ab4 s VAL 328 N 1.05 0.52 0.43 1.34 0.11 0.14 -4.92 120.40 119.06 1ab4 s VAL 328 Ca -0.09 -1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 57.90 1ab4 s VAL 328 Cb -0.13 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ab4 s VAL 328 CO -0.03 -0.36 0.71 -0.94 -3.33 0.00 0.00 175.10 171.16 1ab4 s SER 329 N -1.49 6.31 -0.31 3.54 1.04 -1.26 -0.04 113.70 121.49 1ab4 s SER 329 Ca -0.09 0.82 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 1ab4 s SER 329 Cb -0.10 -2.20 0.12 0.00 0.10 0.00 0.00 66.02 63.95 1ab4 s SER 329 CO 0.00 -0.46 0.22 0.12 0.98 0.00 0.00 173.24 174.09 1ab4 s PHE 330 N -2.55 0.12 -0.92 5.02 5.36 0.76 -4.87 117.98 120.89 1ab4 s PHE 330 Ca 0.46 -0.82 -0.24 0.00 -0.96 0.00 0.00 56.93 55.36 1ab4 s PHE 330 Cb -0.10 -0.73 0.01 0.00 -0.34 0.00 0.00 43.02 41.85 1ab4 s PHE 330 CO 0.40 -0.87 1.66 0.20 -1.46 0.00 0.00 175.22 175.15 1ab4 s GLY 331 N 1.91 0.73 -0.10 13.12 0.00 -1.26 -1.03 107.32 120.69 1ab4 s GLY 331 Ca 0.12 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 1ab4 s GLY 331 CO -0.25 3.05 1.85 -0.42 0.00 0.00 0.00 173.10 177.33 1ab4 s ILE 332 N 7.32 3.32 -0.34 0.90 1.01 0.04 -4.77 121.20 128.67 1ab4 s ILE 332 Ca 0.56 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1ab4 s ILE 332 Cb -0.04 -3.29 0.11 0.00 0.01 0.00 0.00 42.46 39.24 1ab4 s ILE 332 CO -0.02 -0.09 0.12 0.21 0.00 0.00 0.00 174.94 175.15 1ab4 s ASN 333 N 4.84 4.13 -1.28 3.58 3.04 -0.16 -1.31 114.94 127.78 1ab4 s ASN 333 Ca 0.83 -1.96 -0.13 0.00 0.04 0.00 0.00 52.86 51.64 1ab4 s ASN 333 Cb -0.34 -1.08 0.14 0.00 -1.54 0.00 0.00 41.25 38.43 1ab4 s ASN 333 CO 0.34 -0.38 1.75 0.23 -3.04 0.00 0.00 177.10 176.00 1ab4 n MET 334 N 4.45 3.36 -4.23 0.43 2.81 0.39 0.46 117.12 124.79 1ab4 n MET 334 Ca 0.01 -3.48 -0.34 0.00 -1.81 0.00 0.00 57.70 52.08 1ab4 n MET 334 Cb 0.40 -3.11 -0.13 0.00 -0.71 0.00 0.00 33.22 29.68 1ab4 n MET 334 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ab4 s VAL 335 N 1.79 3.69 0.21 2.03 1.01 -1.26 -1.57 120.40 126.31 1ab4 s VAL 335 Ca 0.44 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1ab4 s VAL 335 Cb 0.05 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1ab4 s VAL 335 CO 0.00 0.46 0.38 0.00 0.00 0.00 0.00 175.10 175.95 1ab4 s ALA 336 N 0.83 -0.05 -0.46 5.51 0.00 -0.95 -4.63 121.76 122.01 1ab4 s ALA 336 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 1ab4 s ALA 336 Cb -0.15 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1ab4 s ALA 336 CO 0.02 -0.76 1.31 -0.51 0.00 0.00 0.00 175.76 175.82 1ab4 s LEU 337 N -3.01 3.57 -0.14 0.00 2.01 0.26 -1.90 118.68 119.47 1ab4 s LEU 337 Ca 0.22 0.59 0.02 0.00 0.01 0.00 0.00 54.13 54.98 1ab4 s LEU 337 Cb 0.01 -3.46 0.01 0.00 0.01 0.00 0.00 46.19 42.77 1ab4 s LEU 337 CO 0.06 -1.42 -0.20 -2.28 1.01 0.00 0.00 176.35 173.52 1ab4 s HIS 338 N 5.19 2.54 -1.43 0.29 5.65 0.69 -2.29 115.29 125.92 1ab4 s HIS 338 Ca 0.55 -1.29 -0.06 0.00 0.25 0.00 0.00 55.06 54.50 1ab4 s HIS 338 Cb -0.11 -1.75 0.03 0.00 -1.18 0.00 0.00 32.58 29.58 1ab4 s HIS 338 CO 0.31 -0.61 0.53 0.72 -0.65 0.00 0.00 174.74 175.04 1ab4 n HIS 339 N 4.16 -1.87 -2.85 3.88 8.25 -1.26 -0.77 115.22 124.77 1ab4 n HIS 339 Ca -0.20 0.47 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1ab4 n HIS 339 Cb 0.51 -3.79 0.03 0.00 1.12 0.00 0.00 29.99 27.86 1ab4 n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ab4 n GLY 340 N -1.35 -0.09 3.39 -1.41 0.00 -1.26 -5.02 105.19 99.45 1ab4 n GLY 340 Ca -0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1ab4 n GLY 340 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ab4 s GLN 341 N -5.41 0.60 0.28 1.61 2.00 0.05 -5.12 119.66 113.68 1ab4 s GLN 341 Ca 0.24 0.63 -0.30 0.00 -2.00 0.00 0.00 55.36 53.93 1ab4 s GLN 341 Cb -0.10 0.29 -0.11 0.00 0.80 0.00 0.00 33.01 33.89 1ab4 s GLN 341 CO 0.29 -0.08 1.50 -2.14 -0.50 0.00 0.00 175.29 174.36 1ab4 s PRO 342 N 0.14 4.20 -0.16 1.67 0.02 -1.26 -0.22 135.00 139.38 1ab4 s PRO 342 Ca -0.01 2.43 -0.14 0.00 0.02 0.00 0.00 61.00 63.30 1ab4 s PRO 342 Cb -0.03 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.46 1ab4 s PRO 342 CO 0.01 -0.51 0.42 0.15 -0.33 0.00 0.00 177.00 176.75 1ab4 s LYS 343 N -0.56 0.49 -0.73 5.54 1.02 -0.80 -4.89 119.74 119.81 1ab4 s LYS 343 Ca 0.60 0.60 -0.20 0.00 0.02 0.00 0.00 55.97 57.00 1ab4 s LYS 343 Cb -0.45 0.23 0.10 0.00 -0.52 0.00 0.00 37.83 37.19 1ab4 s LYS 343 CO 0.47 -0.07 0.94 0.42 -0.92 0.00 0.00 175.35 176.19 1ab4 s ILE 344 N 0.30 4.63 0.04 2.17 1.09 -1.26 -2.24 121.20 125.93 1ab4 s ILE 344 Ca -0.01 -0.99 -0.02 0.00 -1.10 0.00 0.00 60.65 58.54 1ab4 s ILE 344 Cb -0.03 -4.66 -0.04 0.00 -1.06 0.00 0.00 42.46 36.67 1ab4 s ILE 344 CO -0.00 -1.37 0.22 -0.04 -0.10 0.00 0.00 174.94 173.65 1ab4 s MET 345 N 3.13 3.47 0.70 2.79 -1.94 -0.61 -4.88 119.30 121.97 1ab4 s MET 345 Ca 0.23 -0.34 0.01 0.00 -1.71 0.00 0.00 55.69 53.88 1ab4 s MET 345 Cb -0.15 -3.04 0.13 0.00 2.01 0.00 0.00 34.83 33.78 1ab4 s MET 345 CO 0.02 0.62 0.97 0.54 -0.01 0.00 0.00 175.02 177.16 1ab4 s ASN 346 N -2.25 4.43 0.16 3.03 2.20 -1.26 -4.05 114.94 117.19 1ab4 s ASN 346 Ca 0.33 -0.50 -0.22 0.00 -0.94 0.00 0.00 52.86 51.52 1ab4 s ASN 346 Cb -0.13 0.13 0.04 0.00 -2.00 0.00 0.00 41.25 39.29 1ab4 s ASN 346 CO 0.24 -1.81 1.62 0.25 -2.94 0.00 0.00 177.10 174.46 1ab4 h LEU 347 N -0.42 -0.87 -0.47 3.54 6.46 -1.44 -1.55 115.31 120.56 1ab4 h LEU 347 Ca -0.34 0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1ab4 h LEU 347 Cb 1.27 0.41 -0.03 0.00 -0.73 0.00 0.00 40.66 41.58 1ab4 h LEU 347 CO 0.39 -0.29 0.28 0.50 -0.62 0.00 0.00 178.44 178.70 1ab4 h LYS 348 N -0.25 0.55 -0.87 1.25 3.64 -1.95 -1.38 116.57 117.56 1ab4 h LYS 348 Ca 0.15 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1ab4 h LYS 348 Cb 0.49 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 1ab4 h LYS 348 CO -0.44 0.37 0.53 -0.44 -2.27 0.00 0.00 179.45 177.19 1ab4 h ASP 349 N 0.57 0.80 -0.35 4.20 3.32 -1.78 0.45 116.42 123.62 1ab4 h ASP 349 Ca 0.19 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1ab4 h ASP 349 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ab4 h ASP 349 CO -0.08 0.49 -0.07 0.40 -1.72 0.00 0.00 179.24 178.25 1ab4 h ILE 350 N 0.92 1.28 -0.34 0.35 2.04 -0.83 -1.47 117.51 119.46 1ab4 h ILE 350 Ca 0.40 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 1ab4 h ILE 350 Cb 0.27 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1ab4 h ILE 350 CO -0.21 0.37 -0.24 0.40 0.00 0.00 0.00 178.15 178.47 1ab4 h ILE 351 N 0.47 1.29 -0.76 -0.67 2.04 -0.65 -2.50 117.51 116.73 1ab4 h ILE 351 Ca 0.09 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 1ab4 h ILE 351 Cb 0.57 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1ab4 h ILE 351 CO 0.03 0.45 0.46 0.00 0.00 0.00 0.00 178.15 179.10 1ab4 h ALA 352 N 0.76 1.38 -0.57 1.87 0.00 -0.10 -1.12 119.26 121.47 1ab4 h ALA 352 Ca 0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ab4 h ALA 352 Cb 0.80 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ab4 h ALA 352 CO 0.07 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.93 1ab4 h ALA 353 N 1.46 1.04 0.61 0.00 0.00 -1.12 -1.38 119.26 119.87 1ab4 h ALA 353 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ab4 h ALA 353 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ab4 h ALA 353 CO -0.05 0.61 -0.29 0.35 0.00 0.00 0.00 179.25 179.87 1ab4 h PHE 354 N 0.88 -0.76 -0.82 0.00 3.57 -0.87 -2.73 116.94 116.21 1ab4 h PHE 354 Ca 0.18 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1ab4 h PHE 354 Cb 0.42 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.29 1ab4 h PHE 354 CO 0.03 -0.47 0.25 0.28 -2.23 0.00 0.00 178.31 176.17 1ab4 h VAL 355 N -1.18 0.46 0.00 1.41 2.07 -1.22 0.36 116.25 118.16 1ab4 h VAL 355 Ca -0.08 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ab4 h VAL 355 Cb 0.63 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ab4 h VAL 355 CO 0.14 0.05 -0.23 0.08 0.02 0.00 0.00 177.57 177.63 1ab4 h ARG 356 N 0.30 0.00 -0.04 1.57 0.11 -1.30 -0.14 114.38 114.88 1ab4 h ARG 356 Ca 0.49 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.55 1ab4 h ARG 356 Cb 0.89 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.97 1ab4 h ARG 356 CO -0.55 0.23 -0.05 1.25 0.10 0.00 0.00 179.97 180.95 1ab4 h HIS 357 N 0.00 0.14 -0.14 4.08 2.76 -0.03 -2.35 115.15 119.62 1ab4 h HIS 357 Ca -0.00 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1ab4 h HIS 357 Cb 0.42 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1ab4 h HIS 357 CO 0.00 0.60 0.11 0.00 -1.30 0.00 0.00 177.93 177.34 1ab4 h ARG 358 N -0.36 0.00 0.30 5.26 2.47 -0.45 0.84 114.38 122.45 1ab4 h ARG 358 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1ab4 h ARG 358 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1ab4 h ARG 358 CO 0.01 0.00 -0.14 0.00 0.56 0.00 0.00 179.97 180.40 1ab4 h ARG 359 N 0.00 -0.39 0.25 0.04 3.08 -0.77 -2.09 114.38 114.51 1ab4 h ARG 359 Ca 0.06 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ab4 h ARG 359 Cb 0.28 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1ab4 h ARG 359 CO -0.00 -0.07 -0.28 1.49 -1.07 0.00 0.00 179.97 180.04 1ab4 h GLU 360 N -0.74 -0.55 -0.02 0.04 4.81 -0.82 -1.47 114.58 115.83 1ab4 h GLU 360 Ca -0.04 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ab4 h GLU 360 Cb 0.50 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1ab4 h GLU 360 CO 0.07 -0.37 -0.52 0.28 -0.73 0.00 0.00 179.01 177.74 1ab4 h VAL 361 N -0.58 0.00 -0.73 0.32 2.07 -0.93 0.29 116.25 116.69 1ab4 h VAL 361 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1ab4 h VAL 361 Cb 0.54 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1ab4 h VAL 361 CO -0.07 0.00 0.35 0.58 0.02 0.00 0.00 177.57 178.44 1ab4 h VAL 362 N -0.64 0.80 0.29 2.57 2.07 -1.32 0.35 116.25 120.39 1ab4 h VAL 362 Ca 0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ab4 h VAL 362 Cb 0.69 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ab4 h VAL 362 CO -0.35 0.10 -0.14 0.74 0.02 0.00 0.00 177.57 177.94 1ab4 h THR 363 N 0.57 0.73 0.00 2.57 2.02 -0.55 0.21 112.91 118.46 1ab4 h THR 363 Ca 0.37 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1ab4 h THR 363 Cb 0.44 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ab4 h THR 363 CO -0.30 0.03 -0.02 0.03 0.37 0.00 0.00 175.52 175.62 1ab4 h ARG 364 N -0.45 0.00 -0.05 6.66 3.08 0.30 0.11 114.38 124.02 1ab4 h ARG 364 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1ab4 h ARG 364 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ab4 h ARG 364 CO 0.07 0.02 -0.30 -0.09 -1.07 0.00 0.00 179.97 178.59 1ab4 h ARG 365 N 0.00 0.30 -0.53 0.04 2.43 0.21 -2.68 114.38 114.16 1ab4 h ARG 365 Ca -0.00 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1ab4 h ARG 365 Cb 0.04 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1ab4 h ARG 365 CO 0.00 0.90 0.32 1.15 -1.51 0.00 0.00 179.97 180.83 1ab4 h THR 366 N -0.23 1.06 -0.76 0.20 2.02 0.77 0.15 112.91 116.13 1ab4 h THR 366 Ca -0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1ab4 h THR 366 Cb 0.97 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1ab4 h THR 366 CO 0.06 0.12 0.45 0.40 0.37 0.00 0.00 175.52 176.92 1ab4 h ILE 367 N 0.63 1.21 0.28 3.11 2.04 -0.89 -1.53 117.51 122.37 1ab4 h ILE 367 Ca 0.21 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ab4 h ILE 367 Cb 0.02 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1ab4 h ILE 367 CO -0.09 0.22 -0.13 0.15 0.00 0.00 0.00 178.15 178.30 1ab4 h PHE 368 N 1.04 -0.35 -0.97 1.37 3.57 -1.02 -2.37 116.94 118.20 1ab4 h PHE 368 Ca 0.27 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.97 1ab4 h PHE 368 Cb -0.04 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 1ab4 h PHE 368 CO 0.00 0.01 0.62 0.93 -2.23 0.00 0.00 178.31 177.64 1ab4 h GLU 369 N -0.83 0.58 -0.16 1.11 4.39 -0.88 0.26 114.58 119.05 1ab4 h GLU 369 Ca -0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1ab4 h GLU 369 Cb 0.51 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1ab4 h GLU 369 CO 0.06 0.38 -0.02 1.25 -1.16 0.00 0.00 179.01 179.53 1ab4 h LEU 370 N 0.60 0.30 -0.47 1.33 5.85 -1.25 0.07 115.31 121.74 1ab4 h LEU 370 Ca 0.54 -0.34 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 1ab4 h LEU 370 Cb 1.07 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1ab4 h LEU 370 CO -0.29 0.57 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.03 1ab4 h ARG 371 N 0.02 1.00 -0.71 1.25 2.43 -0.72 -1.93 114.38 115.72 1ab4 h ARG 371 Ca 0.04 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1ab4 h ARG 371 Cb 0.42 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1ab4 h ARG 371 CO 0.01 1.12 0.39 -0.22 -1.51 0.00 0.00 179.97 179.77 1ab4 h LYS 372 N 0.85 0.99 -0.32 0.20 3.64 -0.52 -2.02 116.57 119.38 1ab4 h LYS 372 Ca 0.10 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ab4 h LYS 372 Cb 0.84 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1ab4 h LYS 372 CO 0.07 0.73 0.19 0.00 -2.27 0.00 0.00 179.45 178.18 1ab4 h ALA 373 N 1.20 0.40 0.25 5.00 0.00 -0.72 -2.05 119.26 123.33 1ab4 h ALA 373 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ab4 h ALA 373 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ab4 h ALA 373 CO -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 1ab4 h ARG 374 N 0.41 -0.32 -0.84 0.00 -0.00 -1.16 -2.09 114.38 110.39 1ab4 h ARG 374 Ca 0.11 0.02 0.13 0.00 -0.50 0.00 0.00 59.98 59.75 1ab4 h ARG 374 Cb 0.01 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 29.99 1ab4 h ARG 374 CO -0.02 -0.20 0.54 -0.44 0.00 0.00 0.00 179.97 179.86 1ab4 h ASP 375 N -0.36 0.61 -0.01 7.04 5.19 -1.25 0.09 116.42 127.73 1ab4 h ASP 375 Ca -0.03 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 1ab4 h ASP 375 Cb 0.27 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.70 1ab4 h ASP 375 CO 0.06 0.33 -0.52 -0.09 -3.12 0.00 0.00 179.24 175.89 1ab4 h ARG 376 N 0.65 0.37 -0.52 3.56 9.65 -1.25 -2.59 114.38 124.24 1ab4 h ARG 376 Ca 0.41 -0.38 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1ab4 h ARG 376 Cb 0.66 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 1ab4 h ARG 376 CO -0.17 1.06 0.35 0.00 2.80 0.00 0.00 179.97 184.01 1ab4 h ALA 377 N 0.32 1.72 -0.33 2.80 0.00 -0.88 0.21 119.26 123.09 1ab4 h ALA 377 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ab4 h ALA 377 Cb 1.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ab4 h ALA 377 CO 0.10 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.86 1ab4 h HIS 378 N 0.62 0.61 -0.14 0.00 -0.00 -0.98 0.24 115.15 115.51 1ab4 h HIS 378 Ca 0.21 -0.10 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1ab4 h HIS 378 Cb 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 1ab4 h HIS 378 CO -0.00 0.66 -0.38 0.82 -0.00 0.00 0.00 177.93 179.03 1ab4 h ILE 379 N 0.38 1.30 -0.34 6.26 1.08 -0.93 -2.84 117.51 122.42 1ab4 h ILE 379 Ca 0.10 -1.45 -0.14 0.00 -0.39 0.00 0.00 64.86 62.98 1ab4 h ILE 379 Cb 0.40 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1ab4 h ILE 379 CO 0.01 0.44 -0.34 -0.07 -0.69 0.00 0.00 178.15 177.51 1ab4 h LEU 380 N 0.25 0.81 -0.20 1.44 3.38 -0.28 -2.46 115.31 118.25 1ab4 h LEU 380 Ca 0.03 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1ab4 h LEU 380 Cb 0.78 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1ab4 h LEU 380 CO 0.06 1.07 -0.03 -0.33 0.09 0.00 0.00 178.44 179.30 1ab4 h GLU 381 N 0.65 0.03 -0.56 1.13 5.08 -0.71 0.40 114.58 120.60 1ab4 h GLU 381 Ca 0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ab4 h GLU 381 Cb 0.88 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1ab4 h GLU 381 CO 0.08 0.02 0.26 0.00 -1.00 0.00 0.00 179.01 178.37 1ab4 h ALA 382 N 1.19 0.72 -0.46 3.43 0.00 -1.52 0.10 119.26 122.72 1ab4 h ALA 382 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ab4 h ALA 382 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ab4 h ALA 382 CO -0.19 0.28 0.15 -0.07 0.00 0.00 0.00 179.25 179.43 1ab4 h LEU 383 N 0.75 0.66 -0.19 0.00 3.38 -0.91 0.42 115.31 119.41 1ab4 h LEU 383 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ab4 h LEU 383 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ab4 h LEU 383 CO -0.02 0.68 0.12 0.00 0.09 0.00 0.00 178.44 179.31 1ab4 h ALA 384 N 1.00 0.25 -0.65 1.53 0.00 0.02 -0.86 119.26 120.54 1ab4 h ALA 384 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ab4 h ALA 384 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ab4 h ALA 384 CO -0.01 -0.25 0.38 0.28 0.00 0.00 0.00 179.25 179.65 1ab4 h VAL 385 N 0.24 1.20 -0.43 0.00 2.07 -0.75 -2.03 116.25 116.56 1ab4 h VAL 385 Ca 0.07 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1ab4 h VAL 385 Cb 0.00 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1ab4 h VAL 385 CO -0.01 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.04 1ab4 h ALA 386 N 1.19 0.54 0.00 1.67 0.00 0.24 -2.67 119.26 120.23 1ab4 h ALA 386 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ab4 h ALA 386 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ab4 h ALA 386 CO -0.04 -0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.07 1ab4 h LEU 387 N 0.51 0.00 -0.10 0.00 3.38 -0.94 -2.95 115.31 115.21 1ab4 h LEU 387 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ab4 h LEU 387 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ab4 h LEU 387 CO -0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.45 1ab4 n ALA 388 N -1.93 2.19 -3.13 1.53 0.00 -0.78 -3.87 120.51 114.52 1ab4 n ALA 388 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1ab4 n ALA 388 Cb 0.38 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1ab4 n ALA 388 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ab4 n ASN 389 N -2.21 0.34 -0.18 0.00 6.94 -1.14 -4.65 115.26 114.38 1ab4 n ASN 389 Ca 0.05 -3.07 -0.09 0.00 -0.02 0.00 0.00 54.58 51.45 1ab4 n ASN 389 Cb 0.39 -0.28 0.01 0.00 -2.36 0.00 0.00 39.78 37.54 1ab4 n ASN 389 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1ab4 h ILE 390 N 1.35 1.25 -0.28 1.53 2.04 -1.63 -2.76 117.51 119.01 1ab4 h ILE 390 Ca 0.07 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1ab4 h ILE 390 Cb 0.98 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1ab4 h ILE 390 CO 0.45 0.33 0.06 0.44 0.00 0.00 0.00 178.15 179.43 1ab4 h ASP 391 N 0.71 0.02 1.39 1.72 3.32 -1.93 0.36 116.42 122.01 1ab4 h ASP 391 Ca 0.15 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1ab4 h ASP 391 Cb 0.39 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ab4 h ASP 391 CO 0.01 0.04 -0.04 1.55 -1.72 0.00 0.00 179.24 179.08 1ab4 h PRO 392 N 0.16 0.00 0.19 3.56 0.13 -1.96 -1.82 132.00 132.26 1ab4 h PRO 392 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1ab4 h PRO 392 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1ab4 h PRO 392 CO -0.17 0.04 -0.09 0.82 -0.23 0.00 0.00 178.00 178.37 1ab4 h ILE 393 N 0.00 0.75 -0.69 -3.56 1.08 -1.03 -2.99 117.51 111.07 1ab4 h ILE 393 Ca -0.00 -1.04 0.06 0.00 -0.39 0.00 0.00 64.86 63.50 1ab4 h ILE 393 Cb 0.75 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 1ab4 h ILE 393 CO 0.01 0.19 0.39 0.40 -0.69 0.00 0.00 178.15 178.44 1ab4 h ILE 394 N -0.88 0.96 -0.66 -0.67 1.08 -0.32 -1.95 117.51 115.08 1ab4 h ILE 394 Ca -0.03 -0.24 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 1ab4 h ILE 394 Cb 0.51 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 1ab4 h ILE 394 CO 0.04 0.13 0.34 -0.08 -0.69 0.00 0.00 178.15 177.89 1ab4 h GLU 395 N 0.71 0.59 -0.54 2.37 4.81 -1.41 0.27 114.58 121.38 1ab4 h GLU 395 Ca 0.31 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1ab4 h GLU 395 Cb 0.20 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1ab4 h GLU 395 CO -0.19 0.39 0.16 1.25 -0.73 0.00 0.00 179.01 179.89 1ab4 h LEU 396 N 0.61 0.80 0.10 1.64 6.46 -1.25 -2.84 115.31 120.83 1ab4 h LEU 396 Ca 0.31 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1ab4 h LEU 396 Cb 0.26 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1ab4 h LEU 396 CO -0.22 0.81 -0.05 0.40 -0.62 0.00 0.00 178.44 178.76 1ab4 h ILE 397 N 0.76 1.12 0.00 4.05 2.04 -0.65 -1.49 117.51 123.33 1ab4 h ILE 397 Ca 0.17 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1ab4 h ILE 397 Cb 0.30 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1ab4 h ILE 397 CO -0.00 0.22 0.00 0.08 0.00 0.00 0.00 178.15 178.45 1ab4 h ARG 398 N -0.58 0.00 0.00 2.37 0.11 -0.50 -1.96 114.38 113.82 1ab4 h ARG 398 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ab4 h ARG 398 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1ab4 h ARG 398 CO 0.02 0.00 -1.64 0.72 0.10 0.00 0.00 179.97 179.17 1ab4 n HIS 399 N -2.66 0.00 -2.62 4.08 8.25 -1.07 -4.90 115.22 116.30 1ab4 n HIS 399 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1ab4 n HIS 399 Cb 0.06 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 1ab4 n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ab4 s ALA 400 N -3.06 3.63 0.09 -1.41 0.00 -0.57 -4.96 121.76 115.48 1ab4 s ALA 400 Ca -0.05 0.28 -0.34 0.00 0.00 0.00 0.00 51.96 51.85 1ab4 s ALA 400 Cb 0.11 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1ab4 s ALA 400 CO 0.67 -0.98 1.57 -1.35 0.00 0.00 0.00 175.76 175.68 1ab4 h PRO 401 N 7.51 -0.87 -6.25 0.00 0.11 -1.91 -3.45 132.00 127.15 1ab4 h PRO 401 Ca -0.23 0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.37 1ab4 h PRO 401 Cb 1.09 0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 1ab4 h PRO 401 CO 0.95 -0.58 -0.60 0.95 -0.21 0.00 0.00 178.00 178.51 1ab4 s THR 402 N -5.89 4.07 0.53 -1.15 -4.23 -1.26 -5.02 115.64 102.69 1ab4 s THR 402 Ca -0.17 -1.36 0.20 0.00 -1.18 0.00 0.00 61.69 59.18 1ab4 s THR 402 Cb 0.05 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 71.12 1ab4 s THR 402 CO 0.61 -0.18 2.09 -0.65 -0.54 0.00 0.00 174.62 175.95 1ab4 h PRO 403 N 2.32 0.00 -0.48 3.99 0.11 -1.97 -1.00 132.00 134.97 1ab4 h PRO 403 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1ab4 h PRO 403 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ab4 h PRO 403 CO 0.60 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.20 1ab4 h ALA 404 N 1.89 0.67 -0.25 -0.75 0.00 -1.98 -1.07 119.26 117.77 1ab4 h ALA 404 Ca 0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1ab4 h ALA 404 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ab4 h ALA 404 CO -0.00 0.64 -0.40 0.93 0.00 0.00 0.00 179.25 180.42 1ab4 h GLU 405 N 0.83 0.58 -0.02 0.00 5.08 -1.62 -1.61 114.58 117.83 1ab4 h GLU 405 Ca 0.11 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1ab4 h GLU 405 Cb 0.77 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ab4 h GLU 405 CO 0.06 0.89 -0.38 0.00 -1.00 0.00 0.00 179.01 178.58 1ab4 h ALA 406 N 1.08 1.33 -0.42 3.43 0.00 -1.19 -2.01 119.26 121.48 1ab4 h ALA 406 Ca 0.04 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1ab4 h ALA 406 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ab4 h ALA 406 CO 0.08 0.50 -0.33 -0.22 0.00 0.00 0.00 179.25 179.28 1ab4 h LYS 407 N 0.04 0.95 -0.30 0.00 3.64 -0.58 -2.27 116.57 118.04 1ab4 h LYS 407 Ca 0.00 -0.47 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1ab4 h LYS 407 Cb 0.69 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1ab4 h LYS 407 CO 0.05 1.13 -0.12 1.15 -2.27 0.00 0.00 179.45 179.39 1ab4 h THR 408 N 0.79 1.29 0.00 1.00 2.02 -0.93 -2.97 112.91 114.11 1ab4 h THR 408 Ca 0.08 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1ab4 h THR 408 Cb 0.91 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1ab4 h THR 408 CO 0.09 0.39 -0.20 0.00 0.37 0.00 0.00 175.52 176.16 1ab4 h ALA 409 N 0.77 1.46 -0.09 6.16 0.00 -1.34 0.01 119.26 126.23 1ab4 h ALA 409 Ca 0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1ab4 h ALA 409 Cb 0.63 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ab4 h ALA 409 CO 0.04 0.25 -0.56 -0.07 0.00 0.00 0.00 179.25 178.91 1ab4 h LEU 410 N 0.00 0.65 0.00 0.00 3.38 -1.31 -3.29 115.31 114.74 1ab4 h LEU 410 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1ab4 h LEU 410 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ab4 h LEU 410 CO 0.03 1.21 -0.48 1.33 0.09 0.00 0.00 178.44 180.61 1ab4 n VAL 411 N -4.19 0.22 0.08 1.22 0.24 -1.13 -4.08 118.33 110.69 1ab4 n VAL 411 Ca -0.08 -0.16 0.02 0.00 -2.04 0.00 0.00 64.34 62.08 1ab4 n VAL 411 Cb 0.63 -0.07 0.39 0.00 -1.47 0.00 0.00 33.84 33.32 1ab4 n VAL 411 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ab4 h ALA 412 N 2.72 1.54 -3.69 2.33 0.00 -1.06 -3.44 119.26 117.66 1ab4 h ALA 412 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1ab4 h ALA 412 Cb 0.64 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.03 1ab4 h ALA 412 CO 0.00 0.33 -0.73 -0.80 0.00 0.00 0.00 179.25 178.06 1ab4 s ASN 413 N -6.82 0.10 0.73 0.00 0.01 -1.26 -5.10 114.94 102.60 1ab4 s ASN 413 Ca -0.06 -0.00 -0.16 0.00 -0.71 0.00 0.00 52.86 51.92 1ab4 s ASN 413 Cb 0.16 -0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.77 1ab4 s ASN 413 CO 0.74 -0.02 0.67 -2.65 -1.51 0.00 0.00 177.10 174.33 1ab4 n PRO 414 N 3.34 0.33 -4.47 -0.60 -0.02 -1.26 -4.91 135.00 127.41 1ab4 n PRO 414 Ca -0.16 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1ab4 n PRO 414 Cb 0.57 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 1ab4 n PRO 414 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ab4 s TRP 415 N -1.91 2.49 0.24 6.00 0.52 -0.61 -4.84 118.94 120.82 1ab4 s TRP 415 Ca 0.68 -0.29 -0.30 0.00 0.02 0.00 0.00 56.10 56.21 1ab4 s TRP 415 Cb -0.34 -1.37 -0.09 0.00 -1.15 0.00 0.00 33.47 30.52 1ab4 s TRP 415 CO 0.56 0.32 1.14 -0.65 0.02 0.00 0.00 176.95 178.34 1ab4 s GLN 416 N -1.86 4.57 -0.46 4.98 -1.52 -1.26 -0.84 119.66 123.27 1ab4 s GLN 416 Ca 0.16 1.83 -0.21 0.00 -1.95 0.00 0.00 55.36 55.19 1ab4 s GLN 416 Cb -0.10 -3.21 0.03 0.00 -0.22 0.00 0.00 33.01 29.50 1ab4 s GLN 416 CO 0.07 0.08 0.68 -0.51 -0.25 0.00 0.00 175.29 175.36 1ab4 s LEU 417 N -0.92 4.52 0.00 2.90 1.43 -1.26 -4.85 118.68 120.50 1ab4 s LEU 417 Ca 0.48 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1ab4 s LEU 417 Cb -0.32 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1ab4 s LEU 417 CO 0.39 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1ab4 n GLY 418 N 5.06 -1.49 0.10 -3.19 0.00 -1.26 -4.40 105.19 100.00 1ab4 n GLY 418 Ca -0.02 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1ab4 n GLY 418 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ab4 n ASN 419 N 0.00 0.48 -0.23 1.61 0.23 -1.26 -2.81 115.26 113.27 1ab4 n ASN 419 Ca 0.00 0.62 0.01 0.00 -0.53 0.00 0.00 54.58 54.68 1ab4 n ASN 419 Cb 0.00 -0.72 0.02 0.00 -2.08 0.00 0.00 39.78 37.00 1ab4 n ASN 419 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1ab4 n VAL 420 N -2.04 0.10 -0.11 3.53 0.24 -1.26 -3.97 118.33 114.81 1ab4 n VAL 420 Ca 0.02 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1ab4 n VAL 420 Cb 0.20 -0.12 0.07 0.00 -1.47 0.00 0.00 33.84 32.52 1ab4 n VAL 420 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ab4 h ALA 421 N 2.81 0.83 0.00 2.33 0.00 -1.73 -2.89 119.26 120.61 1ab4 h ALA 421 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ab4 h ALA 421 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ab4 h ALA 421 CO 0.01 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1ab4 h ALA 422 N 1.03 0.92 0.23 0.00 0.00 -1.88 -3.25 119.26 116.31 1ab4 h ALA 422 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 1ab4 h ALA 422 Cb 0.74 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.56 1ab4 h ALA 422 CO 0.06 0.00 -1.45 1.98 0.00 0.00 0.00 179.25 179.84 1ab4 h MET 423 N 0.00 0.48 0.00 0.00 -1.53 -1.78 -3.32 114.93 108.78 1ab4 h MET 423 Ca 0.00 -0.82 0.00 0.00 -3.44 0.00 0.00 59.70 55.44 1ab4 h MET 423 Cb 0.82 0.31 0.00 0.00 -0.55 0.00 0.00 31.60 32.18 1ab4 h MET 423 CO 0.00 1.39 -0.06 1.28 0.14 0.00 0.00 176.91 179.66 1ab4 n LEU 424 N -3.67 0.70 -4.37 3.39 4.77 -1.10 -5.07 117.00 111.65 1ab4 n LEU 424 Ca -0.16 0.53 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 1ab4 n LEU 424 Cb 1.09 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1ab4 n LEU 424 CO 0.59 -0.14 -0.17 -0.70 -1.33 0.00 0.00 177.39 175.63 1ab4 s GLU 425 N -3.09 2.86 0.00 3.23 2.12 -1.22 -5.06 118.70 117.53 1ab4 s GLU 425 Ca 0.11 -1.05 -0.24 0.00 0.36 0.00 0.00 54.97 54.15 1ab4 s GLU 425 Cb 0.13 -3.69 0.05 0.00 0.26 0.00 0.00 34.13 30.89 1ab4 s GLU 425 CO 0.60 -0.67 0.53 0.16 -0.54 0.00 0.00 175.26 175.35 1ab4 s ASP 430 N 1.55 -0.47 0.00 -1.70 1.47 -1.26 -4.89 116.67 111.37 1ab4 s ASP 430 Ca 0.02 0.34 0.00 0.00 1.18 0.00 0.00 52.55 54.09 1ab4 s ASP 430 Cb -0.19 0.47 0.00 0.00 -0.34 0.00 0.00 42.92 42.87 1ab4 s ASP 430 CO 0.06 -0.63 0.00 0.00 0.68 0.00 0.00 175.17 175.28 1ab4 n ALA 431 N 0.73 0.00 1.21 2.11 0.00 -1.26 -4.90 120.51 118.40 1ab4 n ALA 431 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1ab4 n ALA 431 Cb 0.58 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.69 1ab4 n ALA 431 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ab4 n ALA 432 N 0.00 2.31 -2.52 0.00 0.00 -1.26 -4.77 120.51 114.28 1ab4 n ALA 432 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1ab4 n ALA 432 Cb 0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1ab4 n ALA 432 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ab4 s ARG 433 N -2.62 4.37 0.20 0.00 1.70 -1.26 -4.46 118.95 116.88 1ab4 s ARG 433 Ca 0.24 0.80 -0.33 0.00 -0.47 0.00 0.00 55.73 55.97 1ab4 s ARG 433 Cb 0.18 -3.37 -0.14 0.00 -0.57 0.00 0.00 34.95 31.05 1ab4 s ARG 433 CO 0.41 0.29 1.38 -2.30 -1.08 0.00 0.00 175.30 174.00 1ab4 n PRO 434 N 2.97 1.79 0.00 3.89 -0.02 -1.26 -4.87 135.00 137.50 1ab4 n PRO 434 Ca -0.05 0.64 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1ab4 n PRO 434 Cb 0.51 -2.28 0.07 0.00 -0.02 0.00 0.00 33.50 31.77 1ab4 n PRO 434 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ab4 n GLU 435 N 2.27 0.03 -0.01 -0.52 1.02 -1.26 -0.95 120.64 121.22 1ab4 n GLU 435 Ca 0.14 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.68 1ab4 n GLU 435 Cb 0.28 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 1ab4 n GLU 435 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1ab4 n TRP 436 N -1.33 0.00 -1.83 -0.32 4.27 -1.26 -4.99 117.44 111.98 1ab4 n TRP 436 Ca 0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.21 1ab4 n TRP 436 Cb 0.02 -0.44 -0.01 0.00 -1.36 0.00 0.00 31.31 29.53 1ab4 n TRP 436 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1ab4 s LEU 437 N -4.34 4.33 0.24 5.67 2.96 -0.13 -4.98 118.68 122.43 1ab4 s LEU 437 Ca -0.07 3.01 -0.30 0.00 -0.22 0.00 0.00 54.13 56.55 1ab4 s LEU 437 Cb 0.13 -3.66 -0.09 0.00 0.50 0.00 0.00 46.19 43.07 1ab4 s LEU 437 CO 0.83 -0.85 0.93 -0.70 -1.32 0.00 0.00 176.35 175.24 1ab4 s GLU 438 N -1.82 4.84 0.37 1.98 2.12 -1.26 -4.95 118.70 119.98 1ab4 s GLU 438 Ca 0.54 1.47 0.21 0.00 0.36 0.00 0.00 54.97 57.55 1ab4 s GLU 438 Cb -0.46 -3.27 1.15 0.00 0.26 0.00 0.00 34.13 31.81 1ab4 s GLU 438 CO 0.60 0.52 1.61 -1.00 -0.54 0.00 0.00 175.26 176.45 1ab4 h PRO 439 N 4.14 0.00 -0.00 4.30 0.13 -1.99 -1.84 132.00 136.73 1ab4 h PRO 439 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ab4 h PRO 439 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ab4 h PRO 439 CO 0.68 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 1ab4 n GLU 440 N -2.29 1.05 -4.40 0.86 4.71 -1.26 -4.82 120.64 114.50 1ab4 n GLU 440 Ca -0.01 -0.07 -0.25 0.00 -0.01 0.00 0.00 57.16 56.81 1ab4 n GLU 440 Cb 0.15 -1.47 -0.10 0.00 -1.01 0.00 0.00 31.44 29.02 1ab4 n GLU 440 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1ab4 s PHE 441 N -2.00 2.43 0.00 -0.32 0.08 -0.69 -4.81 117.98 112.66 1ab4 s PHE 441 Ca 0.44 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.20 1ab4 s PHE 441 Cb 0.21 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1ab4 s PHE 441 CO 0.35 0.61 0.00 0.41 -0.10 0.00 0.00 175.22 176.49 1ab4 n GLY 442 N -0.34 -3.43 3.64 4.36 0.00 -0.29 -4.85 105.19 104.28 1ab4 n GLY 442 Ca -0.08 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1ab4 n GLY 442 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab4 s VAL 443 N -0.95 3.42 -0.16 1.61 1.01 -1.26 -2.50 120.40 121.57 1ab4 s VAL 443 Ca 0.00 0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1ab4 s VAL 443 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1ab4 s VAL 443 CO 0.00 -0.11 -0.20 0.54 0.00 0.00 0.00 175.10 175.32 1ab4 n ARG 444 N 7.59 0.34 -3.08 2.72 1.74 -0.98 -4.92 116.66 120.07 1ab4 n ARG 444 Ca 0.20 0.15 -0.19 0.00 -0.77 0.00 0.00 57.85 57.24 1ab4 n ARG 444 Cb 0.43 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.78 1ab4 n ARG 444 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ab4 n ASP 445 N -3.69 -0.41 0.00 0.55 8.00 -1.26 -4.91 116.55 114.84 1ab4 n ASP 445 Ca -0.31 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.23 1ab4 n ASP 445 Cb 0.72 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1ab4 n ASP 445 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab4 n GLY 446 N 1.08 0.57 3.25 0.44 0.00 -1.26 -4.97 105.19 104.31 1ab4 n GLY 446 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1ab4 n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ab4 s LEU 447 N 0.00 2.30 -0.21 0.99 1.43 -1.26 -4.04 118.68 117.88 1ab4 s LEU 447 Ca 0.00 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1ab4 s LEU 447 Cb 0.00 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1ab4 s LEU 447 CO 0.00 0.01 0.04 -0.47 0.23 0.00 0.00 176.35 176.17 1ab4 s TYR 448 N -1.22 3.11 -0.49 0.29 6.14 -0.02 -2.32 117.35 122.84 1ab4 s TYR 448 Ca 0.04 -0.28 -0.17 0.00 0.64 0.00 0.00 57.07 57.31 1ab4 s TYR 448 Cb -0.10 -2.14 0.08 0.00 0.42 0.00 0.00 41.96 40.22 1ab4 s TYR 448 CO 0.04 -0.16 0.48 0.71 0.64 0.00 0.00 175.55 177.26 1ab4 s TYR 449 N 1.03 3.18 0.50 4.97 1.51 -1.04 -1.58 117.35 125.92 1ab4 s TYR 449 Ca 0.03 -0.86 -0.21 0.00 -1.01 0.00 0.00 57.07 55.02 1ab4 s TYR 449 Cb -0.14 -3.37 -0.07 0.00 -0.11 0.00 0.00 41.96 38.27 1ab4 s TYR 449 CO 0.03 -0.91 1.12 -0.51 -1.11 0.00 0.00 175.55 174.17 1ab4 s LEU 450 N 1.96 3.88 0.63 -1.29 1.43 -1.26 -1.14 118.68 122.88 1ab4 s LEU 450 Ca 0.07 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 1ab4 s LEU 450 Cb -0.23 -4.44 0.06 0.00 0.03 0.00 0.00 46.19 41.61 1ab4 s LEU 450 CO 0.08 -1.00 0.88 0.42 0.23 0.00 0.00 176.35 176.96 1ab4 s THR 451 N -1.72 2.45 0.32 5.49 -4.23 -1.26 -4.85 115.64 111.83 1ab4 s THR 451 Ca 0.68 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 1ab4 s THR 451 Cb -0.24 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 70.87 1ab4 s THR 451 CO 0.28 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.12 1ab4 h GLU 452 N -0.22 0.56 0.45 3.99 4.81 -1.97 -2.79 114.58 119.41 1ab4 h GLU 452 Ca -0.41 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1ab4 h GLU 452 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ab4 h GLU 452 CO 0.50 0.61 -0.21 0.37 -0.73 0.00 0.00 179.01 179.54 1ab4 h GLN 453 N 0.53 -0.58 -1.10 1.92 4.15 -2.00 -2.93 115.11 115.10 1ab4 h GLN 453 Ca 0.11 0.04 0.32 0.00 0.77 0.00 0.00 58.65 59.88 1ab4 h GLN 453 Cb 0.39 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1ab4 h GLN 453 CO 0.02 -0.27 0.79 1.96 -1.93 0.00 0.00 178.83 179.39 1ab4 h GLN 454 N -0.94 0.03 -0.12 1.69 4.20 -1.92 0.47 115.11 118.52 1ab4 h GLN 454 Ca -0.06 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1ab4 h GLN 454 Cb 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1ab4 h GLN 454 CO 0.10 0.02 -0.75 0.00 -0.67 0.00 0.00 178.83 177.53 1ab4 h ALA 455 N 1.46 0.46 -0.41 3.87 0.00 -1.41 -2.69 119.26 120.53 1ab4 h ALA 455 Ca 0.53 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1ab4 h ALA 455 Cb 2.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1ab4 h ALA 455 CO -0.02 0.72 -0.25 0.37 0.00 0.00 0.00 179.25 180.07 1ab4 h GLN 456 N 0.41 0.86 -0.34 0.00 5.75 0.09 -0.16 115.11 121.71 1ab4 h GLN 456 Ca -0.04 -0.37 0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1ab4 h GLN 456 Cb 1.35 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 1ab4 h GLN 456 CO 0.14 1.01 0.15 0.00 -2.65 0.00 0.00 178.83 177.49 1ab4 h ALA 457 N 0.97 0.41 -0.29 3.38 0.00 -1.28 0.51 119.26 122.96 1ab4 h ALA 457 Ca 0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ab4 h ALA 457 Cb 0.80 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ab4 h ALA 457 CO 0.07 -0.23 0.17 0.82 0.00 0.00 0.00 179.25 180.08 1ab4 h ILE 458 N 0.32 1.04 -0.02 0.00 2.04 -1.23 -1.87 117.51 117.78 1ab4 h ILE 458 Ca 0.15 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1ab4 h ILE 458 Cb 0.08 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1ab4 h ILE 458 CO -0.12 0.07 -0.11 -0.07 0.00 0.00 0.00 178.15 177.92 1ab4 h LEU 459 N 0.36 0.03 -0.38 1.44 3.38 0.06 -0.71 115.31 119.49 1ab4 h LEU 459 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ab4 h LEU 459 Cb -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ab4 h LEU 459 CO -0.05 0.14 -0.07 0.47 0.09 0.00 0.00 178.44 179.03 1ab4 n ASP 460 N -4.40 0.66 -4.69 -0.43 8.00 0.17 -4.92 116.55 110.94 1ab4 n ASP 460 Ca -0.02 -0.91 -0.44 0.00 0.71 0.00 0.00 54.79 54.13 1ab4 n ASP 460 Cb 0.19 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1ab4 n ASP 460 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ab4 n LEU 461 N -0.67 3.48 -4.83 0.64 4.77 -0.28 -4.97 117.00 115.14 1ab4 n LEU 461 Ca 0.17 1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 56.93 1ab4 n LEU 461 Cb 0.26 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 39.82 1ab4 n LEU 461 CO 0.21 -0.33 0.14 -0.13 -1.33 0.00 0.00 177.39 175.94 1ab4 s ARG 462 N -0.67 3.96 0.29 3.23 0.52 -1.26 -4.98 118.95 120.04 1ab4 s ARG 462 Ca 0.65 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1ab4 s ARG 462 Cb -0.60 -3.20 0.75 0.00 0.52 0.00 0.00 34.95 32.42 1ab4 s ARG 462 CO 0.51 0.67 1.69 -0.07 0.02 0.00 0.00 175.30 178.13 1ab4 h LEU 463 N 4.57 0.34 -2.34 2.53 3.38 -2.00 0.11 115.31 121.89 1ab4 h LEU 463 Ca -0.51 0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1ab4 h LEU 463 Cb 1.22 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1ab4 h LEU 463 CO 0.62 -0.01 0.18 0.06 0.09 0.00 0.00 178.44 179.38 1ab4 h GLN 464 N 0.40 0.00 0.00 1.13 3.07 -2.01 0.05 115.11 117.75 1ab4 h GLN 464 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.31 1ab4 h GLN 464 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1ab4 h GLN 464 CO -0.53 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.02 1ab4 n LYS 465 N -3.52 0.33 0.00 0.06 4.76 0.38 -2.72 118.16 117.45 1ab4 n LYS 465 Ca -0.00 0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1ab4 n LYS 465 Cb 0.28 -1.50 0.38 0.00 -1.84 0.00 0.00 35.03 32.34 1ab4 n LYS 465 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ab4 n LEU 466 N -1.26 0.57 -4.56 -0.35 4.32 0.01 -4.12 117.00 111.61 1ab4 n LEU 466 Ca 0.10 -0.01 -0.29 0.00 -0.02 0.00 0.00 56.01 55.79 1ab4 n LEU 466 Cb 0.16 -0.24 0.23 0.00 -1.62 0.00 0.00 43.42 41.95 1ab4 n LEU 466 CO 0.15 0.12 0.58 0.42 -1.22 0.00 0.00 177.39 177.45 1ab4 s THR 467 N -2.80 1.77 0.07 -5.08 -4.23 -1.10 -4.89 115.64 99.38 1ab4 s THR 467 Ca 0.17 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.48 1ab4 s THR 467 Cb 0.18 -2.36 -0.11 0.00 1.34 0.00 0.00 72.50 71.55 1ab4 s THR 467 CO 0.60 0.00 1.51 1.23 -0.54 0.00 0.00 174.62 177.43 1ab4 h GLY 468 N -2.47 0.33 0.74 3.99 0.00 -1.91 -3.09 103.07 100.65 1ab4 h GLY 468 Ca -0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1ab4 h GLY 468 CO 0.45 0.22 -0.26 -2.00 0.00 0.00 0.00 176.54 174.95 1ab4 h LEU 469 N 0.07 -0.62 -1.99 3.11 5.85 -1.95 -3.15 115.31 116.63 1ab4 h LEU 469 Ca 0.05 -0.05 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1ab4 h LEU 469 Cb 0.35 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1ab4 h LEU 469 CO 0.01 -0.27 0.58 -0.33 -0.34 0.00 0.00 178.44 178.09 1ab4 h GLU 470 N -1.01 0.00 0.07 1.25 4.39 -1.86 -1.43 114.58 115.98 1ab4 h GLU 470 Ca -0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ab4 h GLU 470 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ab4 h GLU 470 CO 0.12 0.00 -0.03 1.25 -1.16 0.00 0.00 179.01 179.19 1ab4 h HIS 471 N 0.00 -0.09 -0.92 4.33 2.76 -1.52 -3.26 115.15 116.45 1ab4 h HIS 471 Ca 0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1ab4 h HIS 471 Cb 1.53 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 30.47 1ab4 h HIS 471 CO 0.00 0.26 0.58 0.93 -1.30 0.00 0.00 177.93 178.40 1ab4 h GLU 472 N -0.44 1.24 -0.45 5.26 4.39 -1.23 -2.62 114.58 120.73 1ab4 h GLU 472 Ca -0.01 -0.10 0.13 0.00 0.34 0.00 0.00 59.36 59.72 1ab4 h GLU 472 Cb 0.38 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ab4 h GLU 472 CO 0.02 0.85 0.33 0.87 -1.16 0.00 0.00 179.01 179.91 1ab4 h LYS 473 N 1.26 0.00 0.09 2.33 1.57 -1.51 0.43 116.57 120.74 1ab4 h LYS 473 Ca 0.33 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.84 1ab4 h LYS 473 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1ab4 h LYS 473 CO -0.07 0.00 -1.29 -0.07 -0.57 0.00 0.00 179.45 177.46 1ab4 h LEU 474 N 0.00 0.30 -0.02 2.94 3.38 -1.53 -2.55 115.31 117.84 1ab4 h LEU 474 Ca 0.21 -0.36 -0.23 0.00 0.09 0.00 0.00 57.88 57.60 1ab4 h LEU 474 Cb 0.87 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ab4 h LEU 474 CO -0.00 1.29 -0.87 -0.07 0.09 0.00 0.00 178.44 178.87 1ab4 h LEU 475 N 0.05 0.79 -0.33 1.67 3.38 -1.00 -2.49 115.31 117.39 1ab4 h LEU 475 Ca -0.14 -0.73 -0.07 0.00 0.09 0.00 0.00 57.88 57.03 1ab4 h LEU 475 Cb 1.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1ab4 h LEU 475 CO 0.17 1.42 -0.05 0.44 0.09 0.00 0.00 178.44 180.51 1ab4 h ASP 476 N 0.24 0.62 -0.70 -0.43 3.32 -0.34 -2.17 116.42 116.97 1ab4 h ASP 476 Ca -0.10 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1ab4 h ASP 476 Cb 1.54 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 1ab4 h ASP 476 CO 0.17 0.82 0.42 -0.08 -1.72 0.00 0.00 179.24 178.86 1ab4 h GLU 477 N 0.41 0.77 -0.23 3.56 4.81 -1.51 -1.14 114.58 121.25 1ab4 h GLU 477 Ca 0.09 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ab4 h GLU 477 Cb 0.54 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ab4 h GLU 477 CO 0.03 0.51 0.09 -0.92 -0.73 0.00 0.00 179.01 177.99 1ab4 h TYR 478 N 0.79 0.17 -0.16 0.92 3.20 -1.26 -1.83 116.97 118.80 1ab4 h TYR 478 Ca 0.30 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1ab4 h TYR 478 Cb 0.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1ab4 h TYR 478 CO -0.06 0.09 -0.05 0.87 -1.64 0.00 0.00 178.16 177.37 1ab4 h LYS 479 N 0.21 0.24 -0.31 1.82 1.57 -0.76 -2.65 116.57 116.68 1ab4 h LYS 479 Ca 0.10 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1ab4 h LYS 479 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ab4 h LYS 479 CO -0.08 0.31 -0.15 0.93 -0.57 0.00 0.00 179.45 179.89 1ab4 h GLU 480 N 0.23 0.66 -0.82 3.15 5.08 -0.69 -3.14 114.58 119.04 1ab4 h GLU 480 Ca 0.05 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1ab4 h GLU 480 Cb 0.25 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1ab4 h GLU 480 CO 0.01 0.87 0.51 -0.07 -1.00 0.00 0.00 179.01 179.33 1ab4 h LEU 481 N 0.42 0.81 -0.97 1.33 4.07 -1.00 -0.24 115.31 119.73 1ab4 h LEU 481 Ca 0.07 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.10 1ab4 h LEU 481 Cb 0.67 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.19 1ab4 h LEU 481 CO 0.05 0.53 0.63 -0.07 -1.08 0.00 0.00 178.44 178.49 1ab4 h LEU 482 N 0.94 1.01 -0.41 1.67 3.38 -1.47 0.63 115.31 121.07 1ab4 h LEU 482 Ca 0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 1ab4 h LEU 482 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ab4 h LEU 482 CO -0.16 0.66 -0.42 0.44 0.09 0.00 0.00 178.44 179.05 1ab4 h ASP 483 N 1.16 0.95 -0.29 -0.43 3.32 -1.34 -2.92 116.42 116.86 1ab4 h ASP 483 Ca 0.41 -0.45 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1ab4 h ASP 483 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ab4 h ASP 483 CO -0.16 1.24 -0.05 1.56 -1.72 0.00 0.00 179.24 180.11 1ab4 h GLN 484 N 0.71 0.55 -0.64 3.56 4.20 0.38 -2.59 115.11 121.28 1ab4 h GLN 484 Ca 0.05 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1ab4 h GLN 484 Cb 1.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1ab4 h GLN 484 CO 0.10 0.73 0.06 -0.84 -0.67 0.00 0.00 178.83 178.21 1ab4 h ILE 485 N 0.31 1.26 -0.47 2.54 3.07 0.16 -1.20 117.51 123.18 1ab4 h ILE 485 Ca 0.08 -1.09 -0.02 0.00 1.55 0.00 0.00 64.86 65.38 1ab4 h ILE 485 Cb 0.52 0.71 -0.02 0.00 -0.27 0.00 0.00 36.82 37.76 1ab4 h ILE 485 CO 0.02 0.40 0.20 0.00 -1.05 0.00 0.00 178.15 177.73 1ab4 h ALA 486 N 1.05 1.47 -0.15 0.16 0.00 -1.51 -0.12 119.26 120.16 1ab4 h ALA 486 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ab4 h ALA 486 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ab4 h ALA 486 CO 0.02 0.41 -0.13 1.49 0.00 0.00 0.00 179.25 181.04 1ab4 h GLU 487 N 0.66 0.35 -0.07 0.00 4.22 -1.03 0.23 114.58 118.94 1ab4 h GLU 487 Ca 0.16 -0.18 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 1ab4 h GLU 487 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ab4 h GLU 487 CO -0.02 0.72 -0.18 -0.07 -2.18 0.00 0.00 179.01 177.29 1ab4 h LEU 488 N -0.01 0.11 -0.04 1.64 3.38 -0.82 0.43 115.31 120.00 1ab4 h LEU 488 Ca 0.03 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1ab4 h LEU 488 Cb 0.65 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ab4 h LEU 488 CO 0.03 0.30 -1.04 -0.07 0.09 0.00 0.00 178.44 177.75 1ab4 h LEU 489 N 0.11 0.78 -1.32 1.67 3.38 -0.92 -0.31 115.31 118.69 1ab4 h LEU 489 Ca 0.02 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.39 1ab4 h LEU 489 Cb 0.38 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ab4 h LEU 489 CO 0.03 1.44 0.48 -0.09 0.09 0.00 0.00 178.44 180.39 1ab4 h ARG 490 N 0.32 0.85 0.22 1.13 2.43 -0.04 -0.10 114.38 119.20 1ab4 h ARG 490 Ca -0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1ab4 h ARG 490 Cb 1.69 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1ab4 h ARG 490 CO 0.20 0.56 -0.11 0.82 -1.51 0.00 0.00 179.97 179.93 1ab4 h ILE 491 N 0.88 0.56 -0.80 1.20 2.04 -0.81 -2.74 117.51 117.84 1ab4 h ILE 491 Ca 0.30 -0.97 0.15 0.00 1.00 0.00 0.00 64.86 65.33 1ab4 h ILE 491 Cb 0.08 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1ab4 h ILE 491 CO -0.09 0.15 0.53 -0.07 0.00 0.00 0.00 178.15 178.67 1ab4 h LEU 492 N -0.95 0.45 0.24 1.44 3.38 -0.77 -2.69 115.31 116.42 1ab4 h LEU 492 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ab4 h LEU 492 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ab4 h LEU 492 CO 0.05 0.23 -0.12 1.23 0.09 0.00 0.00 178.44 179.92 1ab4 h GLY 493 N 0.48 -0.34 -6.66 0.83 0.00 -1.08 -3.42 103.07 92.87 1ab4 h GLY 493 Ca 0.40 0.13 -0.56 0.00 0.00 0.00 0.00 47.33 47.29 1ab4 h GLY 493 CO -0.14 -0.12 0.95 -0.45 0.00 0.00 0.00 176.54 176.78 1ab4 s SER 494 N -5.26 6.59 0.00 0.19 0.15 -1.01 -4.88 113.70 109.47 1ab4 s SER 494 Ca -0.13 0.58 0.13 0.00 0.70 0.00 0.00 55.95 57.23 1ab4 s SER 494 Cb 0.01 -2.55 0.59 0.00 -1.71 0.00 0.00 66.02 62.37 1ab4 s SER 494 CO 0.49 -1.27 1.40 0.00 1.20 0.00 0.00 173.24 175.06 1ab4 n ALA 495 N 8.00 1.65 -0.02 5.45 0.00 -1.26 -2.03 120.51 132.30 1ab4 n ALA 495 Ca 0.13 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1ab4 n ALA 495 Cb 0.49 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 1ab4 n ALA 495 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab4 n ASP 496 N -1.44 2.07 0.19 0.00 8.00 -1.26 -3.36 116.55 120.75 1ab4 n ASP 496 Ca 0.04 0.25 0.03 0.00 0.71 0.00 0.00 54.79 55.82 1ab4 n ASP 496 Cb 0.14 -0.87 0.41 0.00 -0.02 0.00 0.00 41.12 40.77 1ab4 n ASP 496 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ab4 h ARG 497 N -0.16 0.02 -0.27 -1.24 9.65 -1.75 -0.03 114.38 120.60 1ab4 h ARG 497 Ca -0.42 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.33 1ab4 h ARG 497 Cb 1.88 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.46 1ab4 h ARG 497 CO 0.02 0.31 -0.34 1.25 2.80 0.00 0.00 179.97 184.01 1ab4 h LEU 498 N 0.02 0.76 -0.81 3.80 5.85 -1.54 -2.27 115.31 121.11 1ab4 h LEU 498 Ca -0.00 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 1ab4 h LEU 498 Cb 0.53 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ab4 h LEU 498 CO 0.04 1.10 -0.49 0.24 -0.34 0.00 0.00 178.44 178.99 1ab4 h MET 499 N 0.43 0.00 0.00 1.25 2.86 -1.50 -2.70 114.93 115.28 1ab4 h MET 499 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ab4 h MET 499 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1ab4 h MET 499 CO 0.08 0.49 0.00 1.49 1.06 0.00 0.00 176.91 180.03 1ab4 h GLU 500 N 0.00 0.00 0.12 1.72 4.57 -0.82 -1.36 114.58 118.81 1ab4 h GLU 500 Ca -0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.91 1ab4 h GLU 500 Cb 1.01 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1ab4 h GLU 500 CO 0.06 0.00 -1.09 0.28 -1.18 0.00 0.00 179.01 177.08 1ab4 h VAL 501 N 0.00 1.34 -0.23 0.32 2.07 -1.09 -2.99 116.25 115.68 1ab4 h VAL 501 Ca 0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1ab4 h VAL 501 Cb 0.65 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1ab4 h VAL 501 CO 0.00 0.73 0.06 0.40 0.02 0.00 0.00 177.57 178.77 1ab4 h ILE 502 N 0.09 1.21 -0.09 4.57 2.04 -1.31 -2.69 117.51 121.33 1ab4 h ILE 502 Ca -0.17 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1ab4 h ILE 502 Cb 1.80 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 39.05 1ab4 h ILE 502 CO 0.21 0.22 -0.18 0.03 0.00 0.00 0.00 178.15 178.43 1ab4 h ARG 503 N 0.20 -0.24 -0.61 2.37 3.08 -1.34 -1.96 114.38 115.87 1ab4 h ARG 503 Ca 0.07 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1ab4 h ARG 503 Cb 0.28 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1ab4 h ARG 503 CO 0.00 -0.16 0.41 0.93 -1.07 0.00 0.00 179.97 180.08 1ab4 h GLU 504 N -0.25 0.47 -0.24 0.04 5.08 -1.48 -1.35 114.58 116.85 1ab4 h GLU 504 Ca 0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ab4 h GLU 504 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ab4 h GLU 504 CO -0.23 0.31 -0.05 0.93 -1.00 0.00 0.00 179.01 178.97 1ab4 h GLU 505 N 0.48 0.45 -0.67 2.33 5.08 -1.03 -1.71 114.58 119.52 1ab4 h GLU 505 Ca 0.28 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1ab4 h GLU 505 Cb 0.47 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1ab4 h GLU 505 CO -0.08 0.67 0.26 -0.07 -1.00 0.00 0.00 179.01 178.79 1ab4 h LEU 506 N 0.20 0.92 -1.37 1.33 3.38 -0.73 -0.81 115.31 118.23 1ab4 h LEU 506 Ca 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ab4 h LEU 506 Cb 0.50 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ab4 h LEU 506 CO 0.02 0.85 -0.31 -0.33 0.09 0.00 0.00 178.44 178.76 1ab4 h GLU 507 N 0.94 0.00 -0.16 1.13 5.08 -1.23 -2.03 114.58 118.31 1ab4 h GLU 507 Ca 0.22 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.37 1ab4 h GLU 507 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ab4 h GLU 507 CO -0.02 0.31 -0.73 1.25 -1.00 0.00 0.00 179.01 178.82 1ab4 h LEU 508 N 0.00 0.92 -0.75 1.33 5.85 -0.62 -2.82 115.31 119.23 1ab4 h LEU 508 Ca -0.00 -0.62 -0.12 0.00 0.84 0.00 0.00 57.88 57.97 1ab4 h LEU 508 Cb 0.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ab4 h LEU 508 CO 0.04 1.39 -0.38 -0.37 -0.34 0.00 0.00 178.44 178.79 1ab4 h VAL 509 N 0.51 1.30 -0.12 1.05 -1.51 -0.83 -2.56 116.25 114.09 1ab4 h VAL 509 Ca -0.05 -1.51 -0.07 0.00 -1.23 0.00 0.00 66.70 63.84 1ab4 h VAL 509 Cb 1.36 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 1ab4 h VAL 509 CO 0.15 0.48 -0.26 -0.09 -1.23 0.00 0.00 177.57 176.62 1ab4 h ARG 510 N 0.43 0.21 0.37 5.19 2.43 -1.39 0.12 114.38 121.75 1ab4 h ARG 510 Ca 0.04 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ab4 h ARG 510 Cb 0.85 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1ab4 h ARG 510 CO 0.07 0.47 -0.18 1.49 -1.51 0.00 0.00 179.97 180.31 1ab4 h GLU 511 N 0.19 -0.48 0.00 0.20 4.81 -1.24 -0.35 114.58 117.70 1ab4 h GLU 511 Ca 0.03 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1ab4 h GLU 511 Cb 0.57 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1ab4 h GLU 511 CO 0.04 -0.32 0.00 -0.56 -0.73 0.00 0.00 179.01 177.44 1ab4 h GLN 512 N -1.08 0.00 0.00 1.92 3.07 -1.51 -3.36 115.11 114.16 1ab4 h GLN 512 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1ab4 h GLN 512 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1ab4 h GLN 512 CO 0.08 0.00 -0.68 1.19 0.09 0.00 0.00 178.83 179.51 1ab4 n PHE 513 N -2.58 0.00 -2.11 0.06 3.72 0.39 -5.06 117.46 111.89 1ab4 n PHE 513 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 1ab4 n PHE 513 Cb 0.38 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 1ab4 n PHE 513 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ab4 s GLY 514 N -1.42 2.86 0.13 1.37 0.00 -0.14 -4.91 107.32 105.21 1ab4 s GLY 514 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1ab4 s GLY 514 CO 0.00 1.98 0.07 2.09 0.00 0.00 0.00 173.10 177.24 1ab4 n ASP 515 N 1.17 0.42 -4.82 1.64 5.68 -1.26 -4.88 116.55 114.50 1ab4 n ASP 515 Ca 0.01 -1.76 -0.32 0.00 -0.50 0.00 0.00 54.79 52.23 1ab4 n ASP 515 Cb 0.42 0.47 0.02 0.00 -1.14 0.00 0.00 41.12 40.88 1ab4 n ASP 515 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ab4 s LYS 516 N -2.51 3.24 0.32 0.11 -0.14 -1.26 -4.65 119.74 114.85 1ab4 s LYS 516 Ca 0.10 1.07 -0.26 0.00 -1.36 0.00 0.00 55.97 55.52 1ab4 s LYS 516 Cb 0.01 -2.03 -0.10 0.00 -1.68 0.00 0.00 37.83 34.03 1ab4 s LYS 516 CO 0.07 -0.86 0.95 0.50 -0.76 0.00 0.00 175.35 175.25 1ab4 s ARG 517 N -4.48 4.60 -0.07 1.68 3.52 -1.26 -5.01 118.95 117.93 1ab4 s ARG 517 Ca 0.61 1.36 -0.08 0.00 -0.13 0.00 0.00 55.73 57.48 1ab4 s ARG 517 Cb -0.14 -2.85 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1ab4 s ARG 517 CO 0.44 0.29 -0.16 0.54 -0.81 0.00 0.00 175.30 175.60 1ab4 n ARG 518 N 0.65 0.25 -1.91 5.12 1.74 -1.26 -4.97 116.66 116.28 1ab4 n ARG 518 Ca 0.02 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1ab4 n ARG 518 Cb 0.50 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 31.02 1ab4 n ARG 518 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ab4 s THR 519 N -2.03 2.47 0.03 0.55 2.01 -1.25 -4.82 115.64 112.59 1ab4 s THR 519 Ca -0.14 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 1ab4 s THR 519 Cb 0.02 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1ab4 s THR 519 CO 0.20 0.04 0.42 -0.70 -0.69 0.00 0.00 174.62 173.90 1ab4 s GLU 520 N 0.34 3.90 -0.23 4.92 2.12 0.98 -4.93 118.70 125.81 1ab4 s GLU 520 Ca 0.66 0.38 -0.02 0.00 0.36 0.00 0.00 54.97 56.35 1ab4 s GLU 520 Cb -0.44 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1ab4 s GLU 520 CO 0.38 0.65 -0.07 0.42 -0.54 0.00 0.00 175.26 176.10 1ab4 s ILE 521 N -1.18 3.00 -1.88 -3.70 -1.09 -1.26 -0.67 121.20 114.42 1ab4 s ILE 521 Ca 0.27 -0.77 0.15 0.00 -2.23 0.00 0.00 60.65 58.07 1ab4 s ILE 521 Cb -0.16 -2.42 0.12 0.00 -1.58 0.00 0.00 42.46 38.42 1ab4 s ILE 521 CO 0.15 0.35 0.98 0.35 -1.23 0.00 0.00 174.94 175.53